NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
491219 |
2l57   |
17267 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l57
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 1615
_Distance_constraint_stats_list.Viol_count 1933
_Distance_constraint_stats_list.Viol_total 2505.638
_Distance_constraint_stats_list.Viol_max 0.466
_Distance_constraint_stats_list.Viol_rms 0.0214
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0648
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 0.665 0.073 3 0 "[ . 1 . 2]"
1 4 GLU 2.235 0.175 17 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 1.910 0.175 17 0 "[ . 1 . 2]"
1 7 LYS 0.847 0.174 3 0 "[ . 1 . 2]"
1 8 GLN 2.982 0.404 10 0 "[ . 1 . 2]"
1 9 ILE 2.114 0.404 10 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PHE 2.142 0.186 3 0 "[ . 1 . 2]"
1 12 GLN 1.282 0.341 1 0 "[ . 1 . 2]"
1 13 SER 2.561 0.303 6 0 "[ . 1 . 2]"
1 14 ILE 2.209 0.249 12 0 "[ . 1 . 2]"
1 15 ASN 0.554 0.084 9 0 "[ . 1 . 2]"
1 16 VAL 4.544 0.303 6 0 "[ . 1 . 2]"
1 17 VAL 0.579 0.085 6 0 "[ . 1 . 2]"
1 18 GLU 4.851 0.331 5 0 "[ . 1 . 2]"
1 19 ASN 3.496 0.147 3 0 "[ . 1 . 2]"
1 20 LEU 1.969 0.204 4 0 "[ . 1 . 2]"
1 21 GLU 0.678 0.147 3 0 "[ . 1 . 2]"
1 22 GLU 3.995 0.331 5 0 "[ . 1 . 2]"
1 23 ALA 0.188 0.048 11 0 "[ . 1 . 2]"
1 24 LYS 2.998 0.313 20 0 "[ . 1 . 2]"
1 25 GLU 2.028 0.313 20 0 "[ . 1 . 2]"
1 26 GLY 2.512 0.195 5 0 "[ . 1 . 2]"
1 27 ILE 1.914 0.143 17 0 "[ . 1 . 2]"
1 28 PRO 1.269 0.164 7 0 "[ . 1 . 2]"
1 29 THR 0.413 0.086 3 0 "[ . 1 . 2]"
1 30 ILE 1.217 0.215 20 0 "[ . 1 . 2]"
1 31 ILE 4.600 0.215 20 0 "[ . 1 . 2]"
1 32 MET 3.551 0.173 12 0 "[ . 1 . 2]"
1 33 PHE 2.568 0.254 13 0 "[ . 1 . 2]"
1 34 LYS 8.000 0.377 16 0 "[ . 1 . 2]"
1 35 THR 1.585 0.169 7 0 "[ . 1 . 2]"
1 36 ASP 2.680 0.230 20 0 "[ . 1 . 2]"
1 37 THR 0.058 0.054 12 0 "[ . 1 . 2]"
1 38 CYS 3.338 0.208 4 0 "[ . 1 . 2]"
1 39 PRO 3.883 0.208 4 0 "[ . 1 . 2]"
1 40 TYR 1.350 0.140 5 0 "[ . 1 . 2]"
1 41 CYS 0.514 0.080 16 0 "[ . 1 . 2]"
1 42 VAL 0.740 0.152 19 0 "[ . 1 . 2]"
1 43 GLU 1.917 0.257 5 0 "[ . 1 . 2]"
1 44 MET 1.424 0.129 8 0 "[ . 1 . 2]"
1 45 GLN 1.564 0.126 12 0 "[ . 1 . 2]"
1 46 LYS 1.892 0.202 16 0 "[ . 1 . 2]"
1 47 GLU 1.381 0.257 5 0 "[ . 1 . 2]"
1 48 LEU 0.776 0.126 12 0 "[ . 1 . 2]"
1 49 SER 0.707 0.116 6 0 "[ . 1 . 2]"
1 50 TYR 1.207 0.144 20 0 "[ . 1 . 2]"
1 51 VAL 1.808 0.134 13 0 "[ . 1 . 2]"
1 52 SER 0.408 0.096 17 0 "[ . 1 . 2]"
1 53 LYS 1.514 0.126 8 0 "[ . 1 . 2]"
1 54 GLU 0.745 0.240 3 0 "[ . 1 . 2]"
1 55 ARG 3.419 0.207 14 0 "[ . 1 . 2]"
1 56 GLU 1.690 0.310 18 0 "[ . 1 . 2]"
1 57 GLY 0.175 0.175 18 0 "[ . 1 . 2]"
1 58 LYS 3.123 0.310 18 0 "[ . 1 . 2]"
1 59 PHE 1.343 0.084 9 0 "[ . 1 . 2]"
1 60 ASN 2.769 0.143 17 0 "[ . 1 . 2]"
1 61 ILE 3.589 0.168 13 0 "[ . 1 . 2]"
1 62 TYR 3.326 0.204 4 0 "[ . 1 . 2]"
1 63 TYR 2.141 0.206 8 0 "[ . 1 . 2]"
1 64 ALA 1.153 0.180 19 0 "[ . 1 . 2]"
1 65 ARG 5.633 0.282 13 0 "[ . 1 . 2]"
1 66 LEU 3.427 0.229 15 0 "[ . 1 . 2]"
1 67 GLU 9.332 0.466 8 0 "[ . 1 . 2]"
1 68 GLU 1.979 0.242 8 0 "[ . 1 . 2]"
1 69 GLU 0.710 0.221 6 0 "[ . 1 . 2]"
1 70 LYS 5.078 0.466 8 0 "[ . 1 . 2]"
1 71 ASN 3.480 0.242 8 0 "[ . 1 . 2]"
1 72 ILE 0.701 0.221 6 0 "[ . 1 . 2]"
1 73 ASP 0.556 0.080 15 0 "[ . 1 . 2]"
1 74 LEU 3.042 0.163 1 0 "[ . 1 . 2]"
1 75 ALA 1.798 0.184 19 0 "[ . 1 . 2]"
1 76 TYR 3.278 0.170 3 0 "[ . 1 . 2]"
1 77 LYS 0.910 0.089 5 0 "[ . 1 . 2]"
1 78 TYR 1.681 0.107 12 0 "[ . 1 . 2]"
1 79 ASP 2.345 0.170 3 0 "[ . 1 . 2]"
1 80 ALA 2.738 0.184 19 0 "[ . 1 . 2]"
1 81 ASN 1.613 0.179 1 0 "[ . 1 . 2]"
1 82 ILE 0.626 0.179 1 0 "[ . 1 . 2]"
1 83 VAL 1.133 0.104 5 0 "[ . 1 . 2]"
1 84 PRO 0.454 0.069 16 0 "[ . 1 . 2]"
1 85 THR 2.913 0.173 12 0 "[ . 1 . 2]"
1 86 THR 0.529 0.157 17 0 "[ . 1 . 2]"
1 87 VAL 4.484 0.254 13 0 "[ . 1 . 2]"
1 88 PHE 0.251 0.055 19 0 "[ . 1 . 2]"
1 89 LEU 0.896 0.174 13 0 "[ . 1 . 2]"
1 90 ASP 3.114 0.316 3 0 "[ . 1 . 2]"
1 91 LYS 6.081 0.402 8 0 "[ . 1 . 2]"
1 92 GLU 0.832 0.106 11 0 "[ . 1 . 2]"
1 93 GLY 0.487 0.162 19 0 "[ . 1 . 2]"
1 94 ASN 1.339 0.106 11 0 "[ . 1 . 2]"
1 95 LYS 0.869 0.161 10 0 "[ . 1 . 2]"
1 96 PHE 0.094 0.036 16 0 "[ . 1 . 2]"
1 97 TYR 0.130 0.040 20 0 "[ . 1 . 2]"
1 98 VAL 1.914 0.122 12 0 "[ . 1 . 2]"
1 99 HIS 0.543 0.157 17 0 "[ . 1 . 2]"
1 100 GLN 1.001 0.162 19 0 "[ . 1 . 2]"
1 101 GLY 0.058 0.027 17 0 "[ . 1 . 2]"
1 102 LEU 0.861 0.456 10 0 "[ . 1 . 2]"
1 103 MET 1.625 0.456 10 0 "[ . 1 . 2]"
1 104 ARG 1.167 0.112 3 0 "[ . 1 . 2]"
1 105 LYS 1.890 0.144 20 0 "[ . 1 . 2]"
1 106 ASN 3.887 0.183 10 0 "[ . 1 . 2]"
1 107 ASN 1.474 0.177 12 0 "[ . 1 . 2]"
1 108 ILE 2.183 0.141 20 0 "[ . 1 . 2]"
1 109 GLU 2.889 0.183 10 0 "[ . 1 . 2]"
1 110 THR 2.278 0.141 20 0 "[ . 1 . 2]"
1 111 ILE 0.154 0.049 2 0 "[ . 1 . 2]"
1 112 LEU 2.891 0.215 6 0 "[ . 1 . 2]"
1 113 ASN 2.177 0.130 2 0 "[ . 1 . 2]"
1 114 SER 0.842 0.093 5 0 "[ . 1 . 2]"
1 115 LEU 0.493 0.055 19 0 "[ . 1 . 2]"
1 116 GLY 2.647 0.265 7 0 "[ . 1 . 2]"
1 117 VAL 5.239 0.316 3 0 "[ . 1 . 2]"
1 118 LYS 4.038 0.453 1 0 "[ . 1 . 2]"
1 119 GLU 2.273 0.453 1 0 "[ . 1 . 2]"
1 120 GLY 0.216 0.113 2 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 6 ILE HA 1 6 ILE HG12 4.000 . 5.000 3.670 3.202 3.768 . 0 0 "[ . 1 . 2]" 1
2 1 6 ILE HA 1 6 ILE HG13 4.000 . 5.000 3.431 2.490 3.770 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE HA 1 9 ILE HG12 4.000 . 5.000 3.422 2.386 3.790 . 0 0 "[ . 1 . 2]" 1
4 1 9 ILE HA 1 9 ILE HG13 3.500 . 4.000 3.214 2.517 3.793 . 0 0 "[ . 1 . 2]" 1
5 1 10 ASN HB3 1 10 ASN HD21 3.500 . 4.000 2.864 2.211 3.533 . 0 0 "[ . 1 . 2]" 1
6 1 10 ASN HB3 1 10 ASN HD22 4.000 . 5.000 3.766 3.474 4.080 . 0 0 "[ . 1 . 2]" 1
7 1 14 ILE HA 1 14 ILE HG12 3.500 . 4.000 2.676 2.485 3.650 . 0 0 "[ . 1 . 2]" 1
8 1 14 ILE HA 1 14 ILE HG13 3.500 . 4.000 2.837 2.220 3.063 . 0 0 "[ . 1 . 2]" 1
9 1 17 VAL HA 1 17 VAL MG2 3.500 . 4.000 2.493 2.159 3.224 . 0 0 "[ . 1 . 2]" 1
10 1 19 ASN HB2 1 19 ASN HD21 3.500 . 4.000 2.846 2.171 3.457 . 0 0 "[ . 1 . 2]" 1
11 1 19 ASN HB2 1 19 ASN HD22 3.500 . 4.000 3.752 3.447 4.040 0.040 12 0 "[ . 1 . 2]" 1
12 1 19 ASN HB3 1 19 ASN HD22 3.500 . 4.000 3.682 3.439 4.051 0.051 17 0 "[ . 1 . 2]" 1
13 1 20 LEU HA 1 20 LEU MD2 4.000 . 5.000 2.401 1.865 4.029 . 0 0 "[ . 1 . 2]" 1
14 1 20 LEU HA 1 20 LEU HG 4.000 . 5.000 3.304 2.978 3.694 . 0 0 "[ . 1 . 2]" 1
15 1 28 PRO HA 1 28 PRO HG2 4.000 . 5.000 3.904 3.862 3.947 . 0 0 "[ . 1 . 2]" 1
16 1 28 PRO HA 1 28 PRO HG3 3.500 . 4.000 2.979 2.843 3.968 . 0 0 "[ . 1 . 2]" 1
17 1 30 ILE HA 1 30 ILE HG12 4.000 . 5.000 3.107 2.536 3.659 . 0 0 "[ . 1 . 2]" 1
18 1 31 ILE HA 1 31 ILE HG13 4.000 . 5.000 3.191 2.390 3.942 . 0 0 "[ . 1 . 2]" 1
19 1 32 MET HA 1 32 MET ME 5.500 . 6.500 4.187 3.857 4.734 . 0 0 "[ . 1 . 2]" 1
20 1 32 MET HA 1 32 MET HG2 4.000 . 5.000 3.721 2.517 4.243 . 0 0 "[ . 1 . 2]" 1
21 1 32 MET HA 1 32 MET HG3 3.500 . 4.000 3.617 2.683 3.746 . 0 0 "[ . 1 . 2]" 1
22 1 32 MET HB3 1 32 MET ME 4.000 . 5.000 3.337 2.945 4.282 . 0 0 "[ . 1 . 2]" 1
23 1 34 LYS HB2 1 34 LYS HD2 4.000 . 5.000 3.151 2.192 4.001 . 0 0 "[ . 1 . 2]" 1
24 1 39 PRO HB2 1 39 PRO HD3 3.500 . 4.000 3.942 3.894 4.000 . 0 0 "[ . 1 . 2]" 1
25 1 40 TYR HA 1 40 TYR QE 5.500 . 6.500 4.607 4.478 4.752 . 0 0 "[ . 1 . 2]" 1
26 1 43 GLU HA 1 43 GLU HG2 3.500 . 4.000 3.416 2.094 3.899 . 0 0 "[ . 1 . 2]" 1
27 1 43 GLU HA 1 43 GLU HG3 3.500 . 4.000 3.091 2.555 3.552 . 0 0 "[ . 1 . 2]" 1
28 1 44 MET HA 1 44 MET ME 5.500 . 6.500 4.444 3.935 4.616 . 0 0 "[ . 1 . 2]" 1
29 1 44 MET HA 1 44 MET HG2 3.500 . 4.000 2.928 2.340 3.707 . 0 0 "[ . 1 . 2]" 1
30 1 44 MET HA 1 44 MET HG3 3.500 . 4.000 2.651 2.288 3.631 . 0 0 "[ . 1 . 2]" 1
31 1 45 GLN HA 1 45 GLN HG2 3.500 . 4.000 2.598 2.337 3.849 . 0 0 "[ . 1 . 2]" 1
32 1 45 GLN HA 1 45 GLN HG3 3.500 . 4.000 3.166 2.854 3.771 . 0 0 "[ . 1 . 2]" 1
33 1 45 GLN HE22 1 45 GLN HG3 4.000 . 5.000 3.854 3.480 4.068 . 0 0 "[ . 1 . 2]" 1
34 1 46 LYS HA 1 46 LYS HG2 3.500 . 4.000 2.897 2.573 3.868 . 0 0 "[ . 1 . 2]" 1
35 1 46 LYS HA 1 46 LYS HG3 3.500 . 4.000 3.387 2.833 3.844 . 0 0 "[ . 1 . 2]" 1
36 1 48 LEU HA 1 48 LEU MD2 4.000 . 5.000 1.987 1.857 2.089 . 0 0 "[ . 1 . 2]" 1
37 1 48 LEU HA 1 48 LEU HG 4.000 . 5.000 2.962 2.864 3.034 . 0 0 "[ . 1 . 2]" 1
38 1 50 TYR HA 1 50 TYR QD 4.000 . 5.000 2.150 1.900 2.569 . 0 0 "[ . 1 . 2]" 1
39 1 50 TYR HA 1 50 TYR QE 5.500 . 6.500 4.374 4.244 4.464 . 0 0 "[ . 1 . 2]" 1
40 1 54 GLU HA 1 54 GLU HG2 3.000 . 3.500 3.095 2.552 3.740 0.240 3 0 "[ . 1 . 2]" 1
41 1 54 GLU HA 1 54 GLU HG3 3.500 . 4.000 3.063 2.314 4.155 0.155 14 0 "[ . 1 . 2]" 1
42 1 55 ARG HA 1 55 ARG HD3 4.000 . 5.000 3.159 1.901 4.689 . 0 0 "[ . 1 . 2]" 1
43 1 55 ARG HA 1 55 ARG HG2 4.000 . 5.000 3.631 3.251 3.793 . 0 0 "[ . 1 . 2]" 1
44 1 55 ARG HA 1 55 ARG HG3 3.500 . 4.000 2.780 2.173 3.994 . 0 0 "[ . 1 . 2]" 1
45 1 55 ARG HB3 1 55 ARG HD2 4.000 . 5.000 3.796 2.831 4.226 . 0 0 "[ . 1 . 2]" 1
46 1 61 ILE HA 1 61 ILE HG12 4.000 . 5.000 2.866 2.562 3.629 . 0 0 "[ . 1 . 2]" 1
47 1 61 ILE HA 1 61 ILE HG13 4.000 . 5.000 3.006 2.396 3.802 . 0 0 "[ . 1 . 2]" 1
48 1 61 ILE MD 1 61 ILE MG 5.000 2.300 6.000 2.326 2.139 3.188 0.161 13 0 "[ . 1 . 2]" 1
49 1 63 TYR HA 1 63 TYR QE 5.500 . 6.500 4.477 4.135 4.830 . 0 0 "[ . 1 . 2]" 1
50 1 65 ARG HB2 1 65 ARG HE 5.000 . 6.000 3.899 1.828 4.770 . 0 0 "[ . 1 . 2]" 1
51 1 66 LEU HA 1 66 LEU MD1 4.000 . 5.000 2.335 1.877 3.808 . 0 0 "[ . 1 . 2]" 1
52 1 66 LEU HA 1 66 LEU HG 4.000 . 5.000 2.774 2.412 3.696 . 0 0 "[ . 1 . 2]" 1
53 1 70 LYS HA 1 70 LYS HG2 4.000 . 5.000 3.784 3.488 4.223 . 0 0 "[ . 1 . 2]" 1
54 1 70 LYS HA 1 70 LYS HG3 4.000 . 5.000 3.921 3.488 4.240 . 0 0 "[ . 1 . 2]" 1
55 1 71 ASN HB3 1 71 ASN HD22 4.000 . 5.000 3.633 3.395 4.025 . 0 0 "[ . 1 . 2]" 1
56 1 72 ILE HA 1 72 ILE HG12 3.000 . 3.500 2.892 2.501 3.645 0.145 6 0 "[ . 1 . 2]" 1
57 1 72 ILE HA 1 72 ILE HG13 3.500 . 4.000 3.385 2.517 3.743 . 0 0 "[ . 1 . 2]" 1
58 1 74 LEU HA 1 74 LEU MD2 4.000 . 5.000 1.942 1.773 2.421 0.027 4 0 "[ . 1 . 2]" 1
59 1 74 LEU HA 1 74 LEU HG 4.000 . 5.000 3.662 3.609 3.691 . 0 0 "[ . 1 . 2]" 1
60 1 76 TYR HA 1 76 TYR QD 4.000 . 5.000 2.655 2.368 2.956 . 0 0 "[ . 1 . 2]" 1
61 1 77 LYS HA 1 77 LYS HD2 5.000 . 6.000 4.555 4.313 4.677 . 0 0 "[ . 1 . 2]" 1
62 1 77 LYS HA 1 77 LYS HD3 5.000 . 6.000 4.595 3.486 4.922 . 0 0 "[ . 1 . 2]" 1
63 1 77 LYS HA 1 77 LYS HG2 3.500 . 4.000 2.893 2.322 3.324 . 0 0 "[ . 1 . 2]" 1
64 1 77 LYS HA 1 77 LYS HG3 3.000 . 3.500 2.625 2.361 3.526 0.026 14 0 "[ . 1 . 2]" 1
65 1 77 LYS HB2 1 77 LYS HD2 3.000 . 3.500 2.870 2.442 3.574 0.074 8 0 "[ . 1 . 2]" 1
66 1 77 LYS HB2 1 77 LYS HD3 3.500 . 4.000 3.388 2.357 3.824 . 0 0 "[ . 1 . 2]" 1
67 1 77 LYS HB3 1 77 LYS HD2 3.500 . 4.000 2.768 2.287 3.738 . 0 0 "[ . 1 . 2]" 1
68 1 77 LYS HB3 1 77 LYS HD3 3.500 . 4.000 3.165 2.334 3.800 . 0 0 "[ . 1 . 2]" 1
69 1 77 LYS HD2 1 77 LYS HG3 3.000 . 3.500 2.745 2.332 3.020 . 0 0 "[ . 1 . 2]" 1
70 1 77 LYS HD3 1 77 LYS HG3 3.000 . 3.500 2.695 2.378 3.021 . 0 0 "[ . 1 . 2]" 1
71 1 78 TYR HA 1 78 TYR QE 5.500 . 6.500 4.517 4.363 4.711 . 0 0 "[ . 1 . 2]" 1
72 1 81 ASN HB2 1 81 ASN HD22 3.500 . 4.000 3.819 3.471 4.056 0.056 10 0 "[ . 1 . 2]" 1
73 1 82 ILE HA 1 82 ILE HG13 4.000 . 5.000 3.675 3.108 4.269 . 0 0 "[ . 1 . 2]" 1
74 1 89 LEU HA 1 89 LEU MD2 4.000 . 5.000 3.010 2.083 3.799 . 0 0 "[ . 1 . 2]" 1
75 1 89 LEU HA 1 89 LEU HG 4.000 . 5.000 2.946 2.476 3.761 . 0 0 "[ . 1 . 2]" 1
76 1 91 LYS HA 1 91 LYS HD3 4.000 . 5.000 4.657 3.958 5.402 0.402 8 0 "[ . 1 . 2]" 1
77 1 91 LYS HA 1 91 LYS HG2 4.000 . 5.000 3.736 3.316 4.233 . 0 0 "[ . 1 . 2]" 1
78 1 91 LYS HB2 1 91 LYS HD3 3.500 . 4.000 3.295 2.229 4.197 0.197 5 0 "[ . 1 . 2]" 1
79 1 94 ASN HB2 1 94 ASN HD21 3.000 . 3.500 2.828 2.171 3.446 . 0 0 "[ . 1 . 2]" 1
80 1 94 ASN HB2 1 94 ASN HD22 3.500 . 4.000 3.750 3.449 4.044 0.044 10 0 "[ . 1 . 2]" 1
81 1 94 ASN HB3 1 94 ASN HD21 3.500 . 4.000 2.855 2.153 3.506 . 0 0 "[ . 1 . 2]" 1
82 1 94 ASN HB3 1 94 ASN HD22 3.500 . 4.000 3.762 3.450 4.061 0.061 11 0 "[ . 1 . 2]" 1
83 1 95 LYS HA 1 95 LYS HG2 3.500 . 4.000 2.921 2.311 3.758 . 0 0 "[ . 1 . 2]" 1
84 1 95 LYS HA 1 95 LYS HG3 4.000 . 5.000 3.162 2.482 3.908 . 0 0 "[ . 1 . 2]" 1
85 1 95 LYS HB2 1 95 LYS HE3 4.000 . 5.000 3.425 1.964 4.863 . 0 0 "[ . 1 . 2]" 1
86 1 95 LYS HB3 1 95 LYS HE2 3.500 . 4.000 2.885 1.873 4.037 0.037 2 0 "[ . 1 . 2]" 1
87 1 95 LYS HB3 1 95 LYS HE3 3.500 . 4.000 3.011 1.992 4.015 0.015 10 0 "[ . 1 . 2]" 1
88 1 95 LYS HD2 1 95 LYS HG3 3.000 . 3.500 2.739 2.263 3.024 . 0 0 "[ . 1 . 2]" 1
89 1 95 LYS HE2 1 95 LYS HG2 4.000 . 5.000 3.385 2.351 3.728 . 0 0 "[ . 1 . 2]" 1
90 1 95 LYS HE2 1 95 LYS HG3 3.500 . 4.000 3.127 2.343 3.831 . 0 0 "[ . 1 . 2]" 1
91 1 95 LYS HE3 1 95 LYS HG2 4.000 . 5.000 3.309 2.380 4.246 . 0 0 "[ . 1 . 2]" 1
92 1 95 LYS HE3 1 95 LYS HG3 3.500 . 4.000 3.479 2.996 4.161 0.161 10 0 "[ . 1 . 2]" 1
93 1 99 HIS HA 1 99 HIS HD2 5.000 . 6.000 4.179 3.837 4.433 . 0 0 "[ . 1 . 2]" 1
94 1 99 HIS HB2 1 99 HIS HD2 4.000 . 5.000 3.907 3.836 3.958 . 0 0 "[ . 1 . 2]" 1
95 1 100 GLN HA 1 100 GLN HG2 3.500 . 4.000 3.136 2.336 4.149 0.149 12 0 "[ . 1 . 2]" 1
96 1 100 GLN HA 1 100 GLN HG3 3.500 . 4.000 3.024 2.344 3.910 . 0 0 "[ . 1 . 2]" 1
97 1 100 GLN HE21 1 100 GLN HG2 3.500 . 4.000 2.781 2.201 3.492 . 0 0 "[ . 1 . 2]" 1
98 1 100 GLN HE22 1 100 GLN HG2 4.000 . 5.000 3.728 3.456 4.061 . 0 0 "[ . 1 . 2]" 1
99 1 102 LEU HA 1 102 LEU MD1 4.000 . 5.000 2.180 1.996 3.465 . 0 0 "[ . 1 . 2]" 1
100 1 102 LEU HA 1 102 LEU HG 4.000 . 5.000 3.180 2.904 4.289 . 0 0 "[ . 1 . 2]" 1
101 1 103 MET HA 1 103 MET ME 5.000 . 6.000 4.290 3.086 5.439 . 0 0 "[ . 1 . 2]" 1
102 1 103 MET HA 1 103 MET HG2 3.500 . 4.000 3.155 2.484 3.785 . 0 0 "[ . 1 . 2]" 1
103 1 103 MET HA 1 103 MET HG3 3.500 . 4.000 3.412 2.496 3.862 . 0 0 "[ . 1 . 2]" 1
104 1 103 MET HB2 1 103 MET ME 3.500 . 4.000 2.634 1.921 4.024 0.024 6 0 "[ . 1 . 2]" 1
105 1 104 ARG HA 1 104 ARG HG2 3.500 . 4.000 3.230 2.854 3.743 . 0 0 "[ . 1 . 2]" 1
106 1 104 ARG HA 1 104 ARG HG3 3.500 . 4.000 3.533 2.411 3.821 . 0 0 "[ . 1 . 2]" 1
107 1 105 LYS HB2 1 105 LYS HE3 5.000 . 6.000 3.791 1.812 4.869 . 0 0 "[ . 1 . 2]" 1
108 1 105 LYS HB3 1 105 LYS HE3 4.000 . 5.000 4.012 1.967 4.842 . 0 0 "[ . 1 . 2]" 1
109 1 106 ASN HA 1 106 ASN HD22 5.000 . 6.000 4.025 3.326 4.694 . 0 0 "[ . 1 . 2]" 1
110 1 108 ILE HA 1 108 ILE HG13 4.000 . 5.000 3.031 2.954 3.168 . 0 0 "[ . 1 . 2]" 1
111 1 109 GLU HA 1 109 GLU HG2 3.500 . 4.000 2.670 2.316 3.043 . 0 0 "[ . 1 . 2]" 1
112 1 109 GLU HA 1 109 GLU HG3 3.500 . 4.000 3.155 2.318 3.749 . 0 0 "[ . 1 . 2]" 1
113 1 111 ILE HA 1 111 ILE MD 4.000 . 5.000 2.285 1.900 3.840 . 0 0 "[ . 1 . 2]" 1
114 1 111 ILE HA 1 111 ILE HG12 4.000 . 5.000 3.040 2.380 3.585 . 0 0 "[ . 1 . 2]" 1
115 1 111 ILE HA 1 111 ILE HG13 4.000 . 5.000 3.467 2.362 3.760 . 0 0 "[ . 1 . 2]" 1
116 1 112 LEU HA 1 112 LEU MD2 4.000 . 5.000 2.135 1.935 3.178 . 0 0 "[ . 1 . 2]" 1
117 1 113 ASN HB2 1 113 ASN HD21 3.500 . 4.000 2.890 2.172 3.481 . 0 0 "[ . 1 . 2]" 1
118 1 113 ASN HB2 1 113 ASN HD22 3.500 . 4.000 3.769 3.435 4.048 0.048 9 0 "[ . 1 . 2]" 1
119 1 113 ASN HB3 1 113 ASN HD21 3.500 . 4.000 2.728 2.180 3.507 . 0 0 "[ . 1 . 2]" 1
120 1 113 ASN HB3 1 113 ASN HD22 3.500 . 4.000 3.700 3.450 4.062 0.062 15 0 "[ . 1 . 2]" 1
121 1 115 LEU HA 1 115 LEU MD1 4.000 . 5.000 2.587 2.057 3.950 . 0 0 "[ . 1 . 2]" 1
122 1 115 LEU HA 1 115 LEU HG 4.000 . 5.000 3.149 2.615 3.272 . 0 0 "[ . 1 . 2]" 1
123 1 117 VAL HA 1 117 VAL MG1 3.500 . 4.000 2.369 2.310 2.424 . 0 0 "[ . 1 . 2]" 1
124 1 117 VAL HA 1 117 VAL MG2 3.500 . 4.000 2.411 2.333 2.503 . 0 0 "[ . 1 . 2]" 1
125 1 4 GLU HA 1 4 GLU QG 3.000 . 3.500 2.951 2.452 3.505 0.005 16 0 "[ . 1 . 2]" 1
126 1 7 LYS HA 1 7 LYS QG 3.500 . 4.000 2.689 2.308 3.365 . 0 0 "[ . 1 . 2]" 1
127 1 8 GLN HA 1 8 GLN QG 2.500 . 3.000 2.723 2.285 3.296 0.296 5 0 "[ . 1 . 2]" 1
128 1 12 GLN HA 1 12 GLN QG 2.500 . 3.000 2.675 2.283 3.341 0.341 1 0 "[ . 1 . 2]" 1
129 1 18 GLU HA 1 18 GLU QG 3.500 . 4.000 3.018 2.441 3.371 . 0 0 "[ . 1 . 2]" 1
130 1 21 GLU HA 1 21 GLU QG 3.000 . 3.500 3.128 2.418 3.522 0.022 3 0 "[ . 1 . 2]" 1
131 1 24 LYS HA 1 24 LYS QG 3.000 . 3.500 2.632 2.158 3.357 . 0 0 "[ . 1 . 2]" 1
132 1 34 LYS HA 1 34 LYS QE 5.000 . 6.000 5.215 3.992 5.626 . 0 0 "[ . 1 . 2]" 1
133 1 34 LYS HB2 1 34 LYS QE 3.500 . 4.000 3.997 2.465 4.377 0.377 16 0 "[ . 1 . 2]" 1
134 1 39 PRO HA 1 39 PRO QG 3.500 . 4.000 3.316 2.993 3.515 . 0 0 "[ . 1 . 2]" 1
135 1 46 LYS HB2 1 46 LYS QE 4.000 . 5.000 3.336 1.834 4.264 . 0 0 "[ . 1 . 2]" 1
136 1 46 LYS HB3 1 46 LYS QE 4.000 . 5.000 3.147 1.969 4.239 . 0 0 "[ . 1 . 2]" 1
137 1 47 GLU HA 1 47 GLU QG 3.500 . 4.000 2.935 2.507 3.127 . 0 0 "[ . 1 . 2]" 1
138 1 53 LYS HA 1 53 LYS QD 3.500 . 4.000 3.264 1.779 4.126 0.126 8 0 "[ . 1 . 2]" 1
139 1 53 LYS HA 1 53 LYS QG 3.500 . 4.000 2.641 2.383 3.136 . 0 0 "[ . 1 . 2]" 1
140 1 53 LYS QB 1 53 LYS QE 4.000 . 5.000 2.940 1.777 3.836 0.023 14 0 "[ . 1 . 2]" 1
141 1 53 LYS QE 1 53 LYS QG 2.500 . 3.000 2.364 2.114 2.902 . 0 0 "[ . 1 . 2]" 1
142 1 56 GLU HA 1 56 GLU QG 3.000 . 3.500 2.902 2.265 3.544 0.044 16 0 "[ . 1 . 2]" 1
143 1 58 LYS HA 1 58 LYS QD 2.500 . 3.000 2.011 1.736 2.952 0.064 5 0 "[ . 1 . 2]" 1
144 1 65 ARG HA 1 65 ARG QD 4.000 . 5.000 4.330 4.165 4.581 . 0 0 "[ . 1 . 2]" 1
145 1 65 ARG HB2 1 65 ARG QD 3.500 . 4.000 2.489 2.295 3.140 . 0 0 "[ . 1 . 2]" 1
146 1 67 GLU HA 1 67 GLU QG 3.500 . 4.000 2.667 2.297 3.438 . 0 0 "[ . 1 . 2]" 1
147 1 68 GLU HA 1 68 GLU QG 2.500 . 3.000 2.491 2.232 3.015 0.015 7 0 "[ . 1 . 2]" 1
148 1 69 GLU HA 1 69 GLU QG 3.000 . 3.500 3.050 2.372 3.528 0.028 6 0 "[ . 1 . 2]" 1
149 1 70 LYS HA 1 70 LYS QD 4.000 . 5.000 3.934 3.704 4.302 . 0 0 "[ . 1 . 2]" 1
150 1 70 LYS HB2 1 70 LYS QE 4.000 . 5.000 3.205 2.364 4.474 . 0 0 "[ . 1 . 2]" 1
151 1 70 LYS HB3 1 70 LYS QE 4.000 . 5.000 3.072 1.881 4.599 . 0 0 "[ . 1 . 2]" 1
152 1 70 LYS QE 1 70 LYS HG2 3.000 . 3.500 2.873 2.096 3.460 . 0 0 "[ . 1 . 2]" 1
153 1 70 LYS QE 1 70 LYS HG3 3.000 . 3.500 2.690 2.086 3.489 . 0 0 "[ . 1 . 2]" 1
154 1 77 LYS QE 1 77 LYS HG2 3.500 . 4.000 2.997 2.288 3.496 . 0 0 "[ . 1 . 2]" 1
155 1 77 LYS QE 1 77 LYS HG3 3.500 . 4.000 2.742 2.336 3.506 . 0 0 "[ . 1 . 2]" 1
156 1 104 ARG HA 1 104 ARG QD 3.000 . 3.500 2.114 1.824 3.057 . 0 0 "[ . 1 . 2]" 1
157 1 104 ARG HB2 1 104 ARG QD 3.500 . 4.000 3.238 2.436 3.486 . 0 0 "[ . 1 . 2]" 1
158 1 104 ARG HB3 1 104 ARG QD 3.500 . 4.000 2.838 2.230 3.490 . 0 0 "[ . 1 . 2]" 1
159 1 105 LYS HA 1 105 LYS QD 4.000 . 5.000 4.240 3.893 4.535 . 0 0 "[ . 1 . 2]" 1
160 1 105 LYS HA 1 105 LYS QG 3.500 . 4.000 2.883 2.493 3.370 . 0 0 "[ . 1 . 2]" 1
161 1 105 LYS HB2 1 105 LYS QD 3.000 . 3.500 2.567 2.298 3.074 . 0 0 "[ . 1 . 2]" 1
162 1 105 LYS HB3 1 105 LYS QD 3.000 . 3.500 2.491 2.305 3.028 . 0 0 "[ . 1 . 2]" 1
163 1 105 LYS HE3 1 105 LYS QG 3.000 . 3.500 3.134 2.352 3.516 0.016 8 0 "[ . 1 . 2]" 1
164 1 118 LYS HA 1 118 LYS QG 3.000 . 3.500 3.078 2.445 3.416 . 0 0 "[ . 1 . 2]" 1
165 1 119 GLU HA 1 119 GLU QG 2.500 . 3.000 2.594 2.209 3.096 0.096 4 0 "[ . 1 . 2]" 1
166 1 46 LYS HE3 1 46 LYS HG2 3.500 . 4.000 3.372 2.394 4.202 0.202 16 0 "[ . 1 . 2]" 1
167 1 82 ILE HA 1 82 ILE MD 4.000 . 5.000 4.063 3.582 4.197 . 0 0 "[ . 1 . 2]" 1
168 1 3 LEU HA 1 4 GLU H 4.000 . 5.000 2.583 2.152 3.556 . 0 0 "[ . 1 . 2]" 1
169 1 3 LEU MD1 1 4 GLU HB2 4.000 . 5.000 4.883 2.898 5.073 0.073 3 0 "[ . 1 . 2]" 1
170 1 4 GLU HA 1 5 GLY H 3.500 . 4.000 3.042 2.166 3.581 . 0 0 "[ . 1 . 2]" 1
171 1 6 ILE HA 1 7 LYS H 3.000 . 3.500 3.001 2.136 3.577 0.077 12 0 "[ . 1 . 2]" 1
172 1 6 ILE HG13 1 7 LYS H 5.000 . 6.000 2.861 1.770 4.311 0.030 12 0 "[ . 1 . 2]" 1
173 1 6 ILE MG 1 7 LYS H 5.500 . 6.500 3.674 1.792 4.238 0.008 1 0 "[ . 1 . 2]" 1
174 1 8 GLN HA 1 9 ILE H 2.500 . 3.000 2.675 2.120 3.404 0.404 10 0 "[ . 1 . 2]" 1
175 1 8 GLN HB2 1 9 ILE H 5.000 . 6.000 4.132 1.995 4.542 . 0 0 "[ . 1 . 2]" 1
176 1 9 ILE HA 1 10 ASN H 3.500 . 4.000 2.799 2.129 3.534 . 0 0 "[ . 1 . 2]" 1
177 1 10 ASN HA 1 11 PHE H 4.000 . 5.000 2.891 2.118 3.579 . 0 0 "[ . 1 . 2]" 1
178 1 11 PHE HA 1 12 GLN H 3.500 . 4.000 2.748 2.071 3.560 . 0 0 "[ . 1 . 2]" 1
179 1 11 PHE QD 1 12 GLN HE21 5.500 . 6.500 5.506 3.524 6.580 0.080 20 0 "[ . 1 . 2]" 1
180 1 11 PHE QD 1 12 GLN HE22 5.500 . 6.500 6.007 4.241 6.604 0.104 16 0 "[ . 1 . 2]" 1
181 1 12 GLN HA 1 13 SER H 3.500 . 4.000 3.340 2.140 3.574 . 0 0 "[ . 1 . 2]" 1
182 1 13 SER HA 1 14 ILE MD 5.000 . 6.000 4.776 2.804 5.723 . 0 0 "[ . 1 . 2]" 1
183 1 13 SER HA 1 14 ILE H 3.500 . 4.000 2.769 2.115 3.538 . 0 0 "[ . 1 . 2]" 1
184 1 14 ILE HA 1 15 ASN H 3.500 . 4.000 3.254 2.178 3.581 . 0 0 "[ . 1 . 2]" 1
185 1 14 ILE MG 1 15 ASN H 5.000 . 6.000 2.943 2.196 4.083 . 0 0 "[ . 1 . 2]" 1
186 1 15 ASN HA 1 16 VAL H 3.500 . 4.000 2.914 2.498 3.150 . 0 0 "[ . 1 . 2]" 1
187 1 15 ASN H 1 16 VAL H 3.500 . 4.000 2.844 2.232 3.608 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL HA 1 17 VAL H 2.500 . 3.000 2.199 2.112 2.414 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL HB 1 17 VAL H 4.000 . 5.000 3.660 2.445 4.273 . 0 0 "[ . 1 . 2]" 1
190 1 16 VAL H 1 17 VAL H 4.000 . 5.000 4.520 4.337 4.583 . 0 0 "[ . 1 . 2]" 1
191 1 17 VAL HA 1 18 GLU H 2.500 . 3.000 2.210 2.097 2.414 . 0 0 "[ . 1 . 2]" 1
192 1 17 VAL MG2 1 18 GLU H 5.500 . 6.500 3.322 1.850 4.069 . 0 0 "[ . 1 . 2]" 1
193 1 18 GLU HA 1 19 ASN H 4.000 . 5.000 3.544 3.456 3.585 . 0 0 "[ . 1 . 2]" 1
194 1 18 GLU HB2 1 19 ASN H 3.500 . 4.000 3.451 2.158 4.035 0.035 8 0 "[ . 1 . 2]" 1
195 1 18 GLU HB3 1 19 ASN HB2 3.500 . 4.000 3.962 3.417 4.123 0.123 7 0 "[ . 1 . 2]" 1
196 1 18 GLU HB3 1 19 ASN HB3 4.000 . 5.000 4.556 3.848 5.116 0.116 6 0 "[ . 1 . 2]" 1
197 1 18 GLU HB3 1 19 ASN H 3.500 . 4.000 2.889 2.182 3.963 . 0 0 "[ . 1 . 2]" 1
198 1 18 GLU H 1 19 ASN H 2.500 . 3.000 2.618 2.344 2.801 . 0 0 "[ . 1 . 2]" 1
199 1 19 ASN HA 1 20 LEU H 2.500 . 3.000 2.523 2.339 2.678 . 0 0 "[ . 1 . 2]" 1
200 1 19 ASN HB3 1 20 LEU H 4.000 . 5.000 3.134 2.701 3.578 . 0 0 "[ . 1 . 2]" 1
201 1 19 ASN H 1 20 LEU H 5.000 . 6.000 4.372 4.297 4.479 . 0 0 "[ . 1 . 2]" 1
202 1 20 LEU HB2 1 21 GLU H 3.500 . 4.000 2.908 2.579 3.862 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU HB3 1 21 GLU H 4.000 . 5.000 3.782 3.524 4.310 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU H 1 21 GLU H 3.500 . 4.000 2.761 2.518 3.117 . 0 0 "[ . 1 . 2]" 1
205 1 21 GLU HA 1 22 GLU H 3.500 . 4.000 3.497 3.355 3.595 . 0 0 "[ . 1 . 2]" 1
206 1 21 GLU H 1 22 GLU H 3.000 . 3.500 2.638 2.369 2.808 . 0 0 "[ . 1 . 2]" 1
207 1 22 GLU HA 1 23 ALA H 3.500 . 4.000 3.284 3.050 3.459 . 0 0 "[ . 1 . 2]" 1
208 1 22 GLU HB2 1 23 ALA H 4.000 . 5.000 3.697 2.962 4.425 . 0 0 "[ . 1 . 2]" 1
209 1 22 GLU HB3 1 23 ALA H 4.000 . 5.000 4.021 3.327 4.500 . 0 0 "[ . 1 . 2]" 1
210 1 22 GLU H 1 23 ALA MB 5.500 . 6.500 3.994 3.624 4.296 . 0 0 "[ . 1 . 2]" 1
211 1 23 ALA HA 1 24 LYS H 2.500 . 3.000 2.327 2.145 2.484 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA MB 1 24 LYS H 5.000 . 6.000 2.592 2.172 3.353 . 0 0 "[ . 1 . 2]" 1
213 1 24 LYS HA 1 25 GLU H 2.500 . 3.000 2.403 2.128 3.228 0.228 12 0 "[ . 1 . 2]" 1
214 1 24 LYS HB3 1 25 GLU H 3.500 . 4.000 3.174 1.929 4.202 0.202 12 0 "[ . 1 . 2]" 1
215 1 24 LYS H 1 25 GLU H 4.000 . 5.000 4.218 1.843 4.548 . 0 0 "[ . 1 . 2]" 1
216 1 25 GLU HA 1 26 GLY H 2.500 . 3.000 2.563 2.200 2.840 . 0 0 "[ . 1 . 2]" 1
217 1 26 GLY HA2 1 27 ILE H 3.500 . 4.000 3.160 2.456 3.569 . 0 0 "[ . 1 . 2]" 1
218 1 26 GLY H 1 27 ILE H 3.000 . 3.500 3.107 2.070 3.567 0.067 20 0 "[ . 1 . 2]" 1
219 1 27 ILE HA 1 28 PRO HG2 5.000 . 6.000 4.472 4.108 4.641 . 0 0 "[ . 1 . 2]" 1
220 1 27 ILE HA 1 28 PRO HG3 5.000 . 6.000 4.143 3.987 4.377 . 0 0 "[ . 1 . 2]" 1
221 1 28 PRO HA 1 29 THR H 2.500 . 3.000 2.272 2.135 2.440 . 0 0 "[ . 1 . 2]" 1
222 1 28 PRO HB2 1 29 THR H 3.500 . 4.000 3.532 3.081 4.010 0.010 6 0 "[ . 1 . 2]" 1
223 1 28 PRO HB3 1 29 THR H 4.000 . 5.000 3.151 2.720 3.761 . 0 0 "[ . 1 . 2]" 1
224 1 29 THR HA 1 30 ILE HB 5.000 . 6.000 4.599 4.459 4.728 . 0 0 "[ . 1 . 2]" 1
225 1 29 THR MG 1 30 ILE HB 5.500 . 6.500 4.705 4.386 4.981 . 0 0 "[ . 1 . 2]" 1
226 1 29 THR MG 1 30 ILE H 5.000 . 6.000 2.868 2.624 3.131 . 0 0 "[ . 1 . 2]" 1
227 1 30 ILE HA 1 31 ILE H 2.500 . 3.000 2.141 2.103 2.210 . 0 0 "[ . 1 . 2]" 1
228 1 30 ILE HG13 1 31 ILE H 4.000 . 5.000 4.781 4.205 5.215 0.215 20 0 "[ . 1 . 2]" 1
229 1 31 ILE HA 1 32 MET H 3.000 . 3.500 2.167 2.095 2.230 . 0 0 "[ . 1 . 2]" 1
230 1 31 ILE HG12 1 32 MET H 4.000 . 5.000 4.682 4.397 5.131 0.131 13 0 "[ . 1 . 2]" 1
231 1 31 ILE MG 1 32 MET HA 5.500 . 6.500 3.649 3.225 4.042 . 0 0 "[ . 1 . 2]" 1
232 1 31 ILE MG 1 32 MET H 5.500 . 6.500 2.945 2.523 3.167 . 0 0 "[ . 1 . 2]" 1
233 1 32 MET HA 1 33 PHE QD 5.500 . 6.500 3.406 2.745 3.767 . 0 0 "[ . 1 . 2]" 1
234 1 32 MET HB2 1 33 PHE H 5.000 . 6.000 3.462 2.820 4.288 . 0 0 "[ . 1 . 2]" 1
235 1 32 MET HG2 1 33 PHE H 4.000 . 5.000 4.793 2.791 5.167 0.167 1 0 "[ . 1 . 2]" 1
236 1 32 MET HG3 1 33 PHE H 4.000 . 5.000 4.288 3.603 4.733 . 0 0 "[ . 1 . 2]" 1
237 1 32 MET H 1 33 PHE H 5.000 . 6.000 4.289 4.041 4.477 . 0 0 "[ . 1 . 2]" 1
238 1 33 PHE QD 1 34 LYS H 5.500 . 6.500 4.185 3.854 4.422 . 0 0 "[ . 1 . 2]" 1
239 1 33 PHE H 1 34 LYS H 4.000 . 5.000 4.462 4.342 4.588 . 0 0 "[ . 1 . 2]" 1
240 1 34 LYS HA 1 35 THR MG 5.500 . 6.500 4.794 3.441 5.472 . 0 0 "[ . 1 . 2]" 1
241 1 34 LYS HA 1 35 THR H 3.500 . 4.000 2.298 2.154 2.679 . 0 0 "[ . 1 . 2]" 1
242 1 34 LYS HB2 1 35 THR H 3.500 . 4.000 2.957 2.159 4.026 0.026 19 0 "[ . 1 . 2]" 1
243 1 35 THR HA 1 36 ASP H 3.000 . 3.500 2.482 2.240 2.698 . 0 0 "[ . 1 . 2]" 1
244 1 35 THR HB 1 36 ASP H 3.000 . 3.500 3.125 1.884 3.669 0.169 7 0 "[ . 1 . 2]" 1
245 1 35 THR MG 1 36 ASP H 5.500 . 6.500 2.447 1.711 3.507 0.089 18 0 "[ . 1 . 2]" 1
246 1 36 ASP HB3 1 37 THR MG 5.500 . 6.500 4.946 3.079 5.731 . 0 0 "[ . 1 . 2]" 1
247 1 36 ASP H 1 37 THR MG 5.500 . 6.500 5.619 3.729 6.503 0.003 11 0 "[ . 1 . 2]" 1
248 1 36 ASP H 1 37 THR H 4.000 . 5.000 2.896 2.414 4.291 . 0 0 "[ . 1 . 2]" 1
249 1 38 CYS HA 1 39 PRO HD2 3.500 . 4.000 2.441 1.957 2.814 . 0 0 "[ . 1 . 2]" 1
250 1 38 CYS HA 1 39 PRO HD3 3.000 . 3.500 2.052 1.771 2.544 0.029 5 0 "[ . 1 . 2]" 1
251 1 38 CYS HB2 1 39 PRO HA 4.000 . 5.000 5.069 4.915 5.208 0.208 4 0 "[ . 1 . 2]" 1
252 1 38 CYS HB3 1 39 PRO HA 5.000 . 6.000 5.767 5.037 6.111 0.111 7 0 "[ . 1 . 2]" 1
253 1 40 TYR H 1 41 CYS H 5.000 . 6.000 2.589 2.456 2.680 . 0 0 "[ . 1 . 2]" 1
254 1 41 CYS H 1 42 VAL H 3.500 . 4.000 2.602 2.375 2.776 . 0 0 "[ . 1 . 2]" 1
255 1 42 VAL MG1 1 43 GLU HG3 5.500 . 6.500 5.714 2.917 6.459 . 0 0 "[ . 1 . 2]" 1
256 1 42 VAL MG1 1 43 GLU H 5.500 . 6.500 3.078 2.189 3.740 . 0 0 "[ . 1 . 2]" 1
257 1 42 VAL MG2 1 43 GLU H 5.500 . 6.500 3.715 2.322 3.929 . 0 0 "[ . 1 . 2]" 1
258 1 43 GLU H 1 44 MET H 3.500 . 4.000 2.749 2.645 2.827 . 0 0 "[ . 1 . 2]" 1
259 1 45 GLN HA 1 46 LYS H 5.000 . 6.000 3.543 3.512 3.587 . 0 0 "[ . 1 . 2]" 1
260 1 45 GLN HB2 1 46 LYS HG2 4.000 . 5.000 4.686 3.352 5.082 0.082 4 0 "[ . 1 . 2]" 1
261 1 45 GLN HB3 1 46 LYS H 3.500 . 4.000 3.420 2.548 4.029 0.029 10 0 "[ . 1 . 2]" 1
262 1 45 GLN H 1 46 LYS H 3.500 . 4.000 2.727 2.543 2.843 . 0 0 "[ . 1 . 2]" 1
263 1 46 LYS HA 1 47 GLU H 4.000 . 5.000 3.544 3.524 3.563 . 0 0 "[ . 1 . 2]" 1
264 1 46 LYS HB2 1 47 GLU H 3.000 . 3.500 2.522 2.197 3.678 0.178 2 0 "[ . 1 . 2]" 1
265 1 46 LYS HB3 1 47 GLU H 3.500 . 4.000 3.550 3.133 4.153 0.153 1 0 "[ . 1 . 2]" 1
266 1 46 LYS H 1 47 GLU H 3.500 . 4.000 2.702 2.514 2.811 . 0 0 "[ . 1 . 2]" 1
267 1 47 GLU HB3 1 48 LEU H 4.000 . 5.000 3.517 3.263 3.739 . 0 0 "[ . 1 . 2]" 1
268 1 47 GLU H 1 48 LEU H 3.500 . 4.000 2.775 2.666 2.899 . 0 0 "[ . 1 . 2]" 1
269 1 48 LEU HG 1 49 SER H 5.000 . 6.000 4.496 4.344 4.667 . 0 0 "[ . 1 . 2]" 1
270 1 48 LEU H 1 49 SER H 3.500 . 4.000 2.716 2.652 2.780 . 0 0 "[ . 1 . 2]" 1
271 1 49 SER HB2 1 50 TYR H 3.500 . 4.000 3.218 2.480 3.938 . 0 0 "[ . 1 . 2]" 1
272 1 49 SER H 1 50 TYR H 3.000 . 3.500 2.687 2.590 2.859 . 0 0 "[ . 1 . 2]" 1
273 1 50 TYR QD 1 51 VAL HA 5.500 . 6.500 5.906 5.754 6.011 . 0 0 "[ . 1 . 2]" 1
274 1 50 TYR QD 1 51 VAL MG1 6.000 . 7.000 6.639 6.373 6.840 . 0 0 "[ . 1 . 2]" 1
275 1 50 TYR H 1 51 VAL MG1 5.500 . 6.500 5.901 5.809 6.040 . 0 0 "[ . 1 . 2]" 1
276 1 51 VAL HB 1 52 SER H 4.000 . 5.000 2.568 2.242 2.807 . 0 0 "[ . 1 . 2]" 1
277 1 51 VAL MG2 1 52 SER HA 5.500 . 6.500 5.371 5.155 5.466 . 0 0 "[ . 1 . 2]" 1
278 1 51 VAL H 1 52 SER H 3.500 . 4.000 2.608 2.347 2.757 . 0 0 "[ . 1 . 2]" 1
279 1 52 SER H 1 53 LYS H 3.500 . 4.000 2.646 2.553 2.811 . 0 0 "[ . 1 . 2]" 1
280 1 54 GLU HA 1 55 ARG H 3.500 . 4.000 3.357 3.103 3.551 . 0 0 "[ . 1 . 2]" 1
281 1 55 ARG HA 1 56 GLU H 5.000 . 6.000 2.321 2.128 2.557 . 0 0 "[ . 1 . 2]" 1
282 1 55 ARG H 1 56 GLU H 4.000 . 5.000 3.464 3.114 3.791 . 0 0 "[ . 1 . 2]" 1
283 1 56 GLU HA 1 57 GLY H 3.000 . 3.500 2.138 2.022 2.213 . 0 0 "[ . 1 . 2]" 1
284 1 57 GLY HA2 1 58 LYS H 4.000 . 5.000 2.824 2.402 3.287 . 0 0 "[ . 1 . 2]" 1
285 1 57 GLY HA3 1 58 LYS H 4.000 . 5.000 3.465 2.032 3.578 . 0 0 "[ . 1 . 2]" 1
286 1 57 GLY H 1 58 LYS H 3.500 . 4.000 2.926 2.618 4.175 0.175 18 0 "[ . 1 . 2]" 1
287 1 58 LYS HA 1 59 PHE H 3.500 . 4.000 3.292 3.087 3.502 . 0 0 "[ . 1 . 2]" 1
288 1 58 LYS HB2 1 59 PHE H 4.000 . 5.000 3.529 3.078 4.158 . 0 0 "[ . 1 . 2]" 1
289 1 58 LYS HB3 1 59 PHE H 5.000 . 6.000 3.962 2.969 4.364 . 0 0 "[ . 1 . 2]" 1
290 1 58 LYS H 1 59 PHE H 3.500 . 4.000 1.943 1.770 2.908 0.030 13 0 "[ . 1 . 2]" 1
291 1 59 PHE HA 1 60 ASN H 3.500 . 4.000 2.295 2.095 2.607 . 0 0 "[ . 1 . 2]" 1
292 1 59 PHE HB2 1 60 ASN H 3.500 . 4.000 2.782 1.933 3.600 . 0 0 "[ . 1 . 2]" 1
293 1 59 PHE HB3 1 60 ASN H 4.000 . 5.000 3.915 3.314 4.229 . 0 0 "[ . 1 . 2]" 1
294 1 59 PHE QD 1 60 ASN H 5.500 . 6.500 3.823 3.004 4.642 . 0 0 "[ . 1 . 2]" 1
295 1 59 PHE H 1 60 ASN H 5.000 . 6.000 4.192 3.798 4.398 . 0 0 "[ . 1 . 2]" 1
296 1 60 ASN HA 1 61 ILE HG13 5.000 . 6.000 3.918 3.308 5.751 . 0 0 "[ . 1 . 2]" 1
297 1 60 ASN HA 1 61 ILE H 2.500 . 3.000 2.187 2.133 2.318 . 0 0 "[ . 1 . 2]" 1
298 1 60 ASN HB2 1 61 ILE H 5.000 . 6.000 4.051 3.033 4.477 . 0 0 "[ . 1 . 2]" 1
299 1 60 ASN HB3 1 61 ILE H 4.000 . 5.000 3.633 2.947 4.169 . 0 0 "[ . 1 . 2]" 1
300 1 61 ILE MG 1 62 TYR HA 5.500 . 6.500 3.947 3.673 4.140 . 0 0 "[ . 1 . 2]" 1
301 1 62 TYR HA 1 63 TYR H 2.500 . 3.000 2.155 2.103 2.222 . 0 0 "[ . 1 . 2]" 1
302 1 62 TYR QD 1 63 TYR H 5.000 . 6.000 2.836 2.145 3.953 . 0 0 "[ . 1 . 2]" 1
303 1 62 TYR QE 1 63 TYR HB3 5.500 . 6.500 5.983 5.562 6.506 0.006 20 0 "[ . 1 . 2]" 1
304 1 63 TYR HA 1 64 ALA MB 5.500 . 6.500 4.044 3.983 4.081 . 0 0 "[ . 1 . 2]" 1
305 1 63 TYR HA 1 64 ALA H 3.000 . 3.500 2.148 2.095 2.195 . 0 0 "[ . 1 . 2]" 1
306 1 63 TYR HB2 1 64 ALA H 4.000 . 5.000 4.425 4.316 4.552 . 0 0 "[ . 1 . 2]" 1
307 1 63 TYR QD 1 64 ALA H 5.000 . 6.000 4.168 3.471 4.816 . 0 0 "[ . 1 . 2]" 1
308 1 64 ALA HA 1 65 ARG H 3.000 . 3.500 2.253 2.133 2.384 . 0 0 "[ . 1 . 2]" 1
309 1 64 ALA MB 1 65 ARG H 5.500 . 6.500 3.567 3.373 3.672 . 0 0 "[ . 1 . 2]" 1
310 1 65 ARG HA 1 66 LEU H 3.000 . 3.500 2.137 2.056 2.208 . 0 0 "[ . 1 . 2]" 1
311 1 65 ARG HB3 1 66 LEU H 5.000 . 6.000 4.176 3.925 4.443 . 0 0 "[ . 1 . 2]" 1
312 1 66 LEU HA 1 67 GLU H 4.000 . 5.000 3.127 3.061 3.243 . 0 0 "[ . 1 . 2]" 1
313 1 66 LEU HB2 1 67 GLU H 5.000 . 6.000 4.026 3.722 4.382 . 0 0 "[ . 1 . 2]" 1
314 1 66 LEU HB3 1 67 GLU H 3.500 . 4.000 3.988 3.652 4.229 0.229 15 0 "[ . 1 . 2]" 1
315 1 66 LEU H 1 67 GLU H 3.500 . 4.000 2.812 2.658 2.962 . 0 0 "[ . 1 . 2]" 1
316 1 67 GLU HA 1 68 GLU H 4.000 . 5.000 3.445 3.317 3.521 . 0 0 "[ . 1 . 2]" 1
317 1 67 GLU H 1 68 GLU H 3.500 . 4.000 2.339 2.111 2.558 . 0 0 "[ . 1 . 2]" 1
318 1 68 GLU H 1 69 GLU H 5.000 . 6.000 4.364 2.330 4.565 . 0 0 "[ . 1 . 2]" 1
319 1 69 GLU HA 1 70 LYS H 4.000 . 5.000 3.485 3.364 3.548 . 0 0 "[ . 1 . 2]" 1
320 1 70 LYS HA 1 71 ASN H 4.000 . 5.000 3.448 3.318 3.506 . 0 0 "[ . 1 . 2]" 1
321 1 70 LYS HG2 1 71 ASN H 4.000 . 5.000 3.150 1.795 4.701 0.005 16 0 "[ . 1 . 2]" 1
322 1 70 LYS H 1 71 ASN H 3.500 . 4.000 2.692 2.574 2.807 . 0 0 "[ . 1 . 2]" 1
323 1 71 ASN HA 1 72 ILE H 4.000 . 5.000 3.322 3.215 3.424 . 0 0 "[ . 1 . 2]" 1
324 1 71 ASN H 1 72 ILE HG13 5.000 . 6.000 4.754 3.570 5.815 . 0 0 "[ . 1 . 2]" 1
325 1 71 ASN H 1 72 ILE H 3.000 . 3.500 2.406 2.279 2.573 . 0 0 "[ . 1 . 2]" 1
326 1 72 ILE HA 1 73 ASP H 4.000 . 5.000 3.544 3.516 3.569 . 0 0 "[ . 1 . 2]" 1
327 1 72 ILE HB 1 73 ASP H 2.500 . 3.000 2.360 2.195 2.524 . 0 0 "[ . 1 . 2]" 1
328 1 72 ILE HG13 1 73 ASP H 5.000 . 6.000 4.501 4.029 4.920 . 0 0 "[ . 1 . 2]" 1
329 1 72 ILE MG 1 73 ASP HA 5.500 . 6.500 3.463 3.138 3.667 . 0 0 "[ . 1 . 2]" 1
330 1 72 ILE MG 1 73 ASP H 5.000 . 6.000 3.205 2.723 3.470 . 0 0 "[ . 1 . 2]" 1
331 1 72 ILE H 1 73 ASP H 3.000 . 3.500 2.610 2.503 2.823 . 0 0 "[ . 1 . 2]" 1
332 1 73 ASP HA 1 74 LEU H 4.000 . 5.000 3.536 3.511 3.566 . 0 0 "[ . 1 . 2]" 1
333 1 73 ASP HB2 1 74 LEU H 3.500 . 4.000 3.716 2.597 4.022 0.022 4 0 "[ . 1 . 2]" 1
334 1 73 ASP H 1 74 LEU H 3.000 . 3.500 2.601 2.497 2.715 . 0 0 "[ . 1 . 2]" 1
335 1 74 LEU HA 1 75 ALA H 4.000 . 5.000 3.553 3.532 3.576 . 0 0 "[ . 1 . 2]" 1
336 1 74 LEU H 1 75 ALA H 3.000 . 3.500 2.769 2.672 2.823 . 0 0 "[ . 1 . 2]" 1
337 1 75 ALA MB 1 76 TYR HA 5.500 . 6.500 3.752 3.676 3.826 . 0 0 "[ . 1 . 2]" 1
338 1 75 ALA MB 1 76 TYR QD 6.000 . 7.000 4.314 3.237 5.169 . 0 0 "[ . 1 . 2]" 1
339 1 75 ALA MB 1 76 TYR H 4.000 . 5.000 2.341 2.228 2.545 . 0 0 "[ . 1 . 2]" 1
340 1 75 ALA H 1 76 TYR H 3.000 . 3.500 2.836 2.595 3.006 . 0 0 "[ . 1 . 2]" 1
341 1 76 TYR HA 1 77 LYS H 3.500 . 4.000 3.498 3.472 3.519 . 0 0 "[ . 1 . 2]" 1
342 1 76 TYR QD 1 77 LYS HA 5.500 . 6.500 4.713 3.536 5.944 . 0 0 "[ . 1 . 2]" 1
343 1 76 TYR QD 1 77 LYS H 5.500 . 6.500 4.123 3.761 4.445 . 0 0 "[ . 1 . 2]" 1
344 1 77 LYS HA 1 78 TYR H 4.000 . 5.000 3.457 3.397 3.525 . 0 0 "[ . 1 . 2]" 1
345 1 77 LYS HB2 1 78 TYR H 3.500 . 4.000 3.834 2.923 4.087 0.087 20 0 "[ . 1 . 2]" 1
346 1 77 LYS HB3 1 78 TYR QD 5.500 . 6.500 2.911 2.143 3.705 . 0 0 "[ . 1 . 2]" 1
347 1 77 LYS HB3 1 78 TYR H 3.500 . 4.000 3.129 2.774 3.848 . 0 0 "[ . 1 . 2]" 1
348 1 77 LYS HD2 1 78 TYR QE 5.500 . 6.500 3.635 2.004 5.287 . 0 0 "[ . 1 . 2]" 1
349 1 77 LYS HD3 1 78 TYR QE 5.500 . 6.500 3.867 2.616 6.229 . 0 0 "[ . 1 . 2]" 1
350 1 77 LYS HE3 1 78 TYR QD 5.500 . 6.500 5.725 3.793 6.589 0.089 5 0 "[ . 1 . 2]" 1
351 1 77 LYS HG2 1 78 TYR QE 5.500 . 6.500 4.143 2.901 5.959 . 0 0 "[ . 1 . 2]" 1
352 1 77 LYS H 1 78 TYR H 3.000 . 3.500 2.666 2.564 2.791 . 0 0 "[ . 1 . 2]" 1
353 1 78 TYR HA 1 79 ASP H 4.000 . 5.000 3.131 3.035 3.278 . 0 0 "[ . 1 . 2]" 1
354 1 78 TYR HB2 1 79 ASP H 5.000 . 6.000 3.851 3.615 4.013 . 0 0 "[ . 1 . 2]" 1
355 1 78 TYR HB3 1 79 ASP H 4.000 . 5.000 4.347 4.110 4.425 . 0 0 "[ . 1 . 2]" 1
356 1 78 TYR H 1 79 ASP HA 4.000 . 5.000 4.415 4.023 4.552 . 0 0 "[ . 1 . 2]" 1
357 1 78 TYR H 1 79 ASP H 2.500 . 3.000 2.238 1.976 2.340 . 0 0 "[ . 1 . 2]" 1
358 1 79 ASP HA 1 80 ALA MB 5.500 . 6.500 4.644 4.481 4.782 . 0 0 "[ . 1 . 2]" 1
359 1 79 ASP HA 1 80 ALA H 2.500 . 3.000 2.927 2.661 3.108 0.108 6 0 "[ . 1 . 2]" 1
360 1 79 ASP HB2 1 80 ALA H 5.000 . 6.000 4.208 3.824 4.618 . 0 0 "[ . 1 . 2]" 1
361 1 79 ASP H 1 80 ALA MB 5.500 . 6.500 4.289 4.225 4.462 . 0 0 "[ . 1 . 2]" 1
362 1 79 ASP H 1 80 ALA H 3.000 . 3.500 2.605 2.514 2.879 . 0 0 "[ . 1 . 2]" 1
363 1 80 ALA HA 1 81 ASN H 2.500 . 3.000 2.204 2.131 2.389 . 0 0 "[ . 1 . 2]" 1
364 1 80 ALA MB 1 81 ASN H 5.500 . 6.500 3.220 2.318 3.676 . 0 0 "[ . 1 . 2]" 1
365 1 81 ASN HA 1 82 ILE H 3.500 . 4.000 3.443 3.131 3.581 . 0 0 "[ . 1 . 2]" 1
366 1 81 ASN HB2 1 82 ILE MG 5.500 . 6.500 4.166 3.074 6.241 . 0 0 "[ . 1 . 2]" 1
367 1 81 ASN HB3 1 82 ILE MG 5.500 . 6.500 4.657 2.749 6.679 0.179 1 0 "[ . 1 . 2]" 1
368 1 81 ASN HD21 1 82 ILE H 4.000 . 5.000 4.075 3.121 4.656 . 0 0 "[ . 1 . 2]" 1
369 1 81 ASN H 1 82 ILE HG12 4.000 . 5.000 4.070 2.865 5.071 0.071 2 0 "[ . 1 . 2]" 1
370 1 81 ASN H 1 82 ILE H 2.500 . 3.000 2.100 1.757 2.810 0.043 1 0 "[ . 1 . 2]" 1
371 1 82 ILE HA 1 83 VAL MG1 5.500 . 6.500 3.632 3.315 5.501 . 0 0 "[ . 1 . 2]" 1
372 1 82 ILE HA 1 83 VAL MG2 5.500 . 6.500 3.848 3.388 5.488 . 0 0 "[ . 1 . 2]" 1
373 1 82 ILE HA 1 83 VAL H 2.500 . 3.000 2.368 2.154 2.626 . 0 0 "[ . 1 . 2]" 1
374 1 82 ILE HB 1 83 VAL H 3.500 . 4.000 2.708 1.890 4.034 0.034 10 0 "[ . 1 . 2]" 1
375 1 82 ILE H 1 83 VAL H 5.000 . 6.000 4.448 4.365 4.604 . 0 0 "[ . 1 . 2]" 1
376 1 83 VAL HA 1 84 PRO HA 3.500 . 4.000 2.026 1.746 2.599 0.054 1 0 "[ . 1 . 2]" 1
377 1 83 VAL HA 1 84 PRO HB3 5.000 . 6.000 4.216 3.922 4.657 . 0 0 "[ . 1 . 2]" 1
378 1 83 VAL HB 1 84 PRO HA 3.500 . 4.000 2.397 1.779 4.038 0.038 1 0 "[ . 1 . 2]" 1
379 1 83 VAL MG1 1 84 PRO HA 5.500 . 6.500 3.032 2.082 3.981 . 0 0 "[ . 1 . 2]" 1
380 1 83 VAL MG2 1 84 PRO HA 5.500 . 6.500 3.475 1.861 3.981 . 0 0 "[ . 1 . 2]" 1
381 1 83 VAL MG2 1 84 PRO HD3 5.500 . 6.500 3.866 3.321 5.541 . 0 0 "[ . 1 . 2]" 1
382 1 83 VAL MG2 1 84 PRO HG2 5.500 . 6.500 5.602 4.378 6.490 . 0 0 "[ . 1 . 2]" 1
383 1 84 PRO HA 1 85 THR H 3.000 . 3.500 2.212 2.150 2.323 . 0 0 "[ . 1 . 2]" 1
384 1 84 PRO HB3 1 85 THR H 5.000 . 6.000 3.855 3.208 4.253 . 0 0 "[ . 1 . 2]" 1
385 1 85 THR HA 1 86 THR H 2.500 . 3.000 2.189 2.118 2.305 . 0 0 "[ . 1 . 2]" 1
386 1 85 THR MG 1 86 THR H 5.000 . 6.000 3.345 2.732 3.975 . 0 0 "[ . 1 . 2]" 1
387 1 86 THR HA 1 87 VAL HB 5.000 . 6.000 5.047 4.426 5.745 . 0 0 "[ . 1 . 2]" 1
388 1 86 THR HA 1 87 VAL MG1 5.500 . 6.500 4.299 3.723 5.474 . 0 0 "[ . 1 . 2]" 1
389 1 86 THR HA 1 87 VAL H 2.500 . 3.000 2.135 2.095 2.174 . 0 0 "[ . 1 . 2]" 1
390 1 86 THR MG 1 87 VAL H 5.000 . 6.000 3.280 2.656 4.133 . 0 0 "[ . 1 . 2]" 1
391 1 86 THR H 1 87 VAL MG1 5.500 . 6.500 5.245 4.002 6.410 . 0 0 "[ . 1 . 2]" 1
392 1 87 VAL HA 1 88 PHE QD 5.500 . 6.500 3.537 3.216 4.066 . 0 0 "[ . 1 . 2]" 1
393 1 87 VAL HA 1 88 PHE H 3.000 . 3.500 2.130 2.077 2.200 . 0 0 "[ . 1 . 2]" 1
394 1 87 VAL MG2 1 88 PHE HA 5.500 . 6.500 4.526 3.903 5.636 . 0 0 "[ . 1 . 2]" 1
395 1 87 VAL MG2 1 88 PHE H 5.500 . 6.500 3.567 2.286 4.193 . 0 0 "[ . 1 . 2]" 1
396 1 88 PHE HA 1 89 LEU MD1 5.500 . 6.500 4.112 2.951 5.450 . 0 0 "[ . 1 . 2]" 1
397 1 88 PHE HA 1 89 LEU MD2 5.500 . 6.500 4.887 3.072 5.710 . 0 0 "[ . 1 . 2]" 1
398 1 88 PHE HA 1 89 LEU H 3.000 . 3.500 2.116 2.081 2.152 . 0 0 "[ . 1 . 2]" 1
399 1 88 PHE H 1 89 LEU MD1 5.500 . 6.500 4.746 3.364 6.376 . 0 0 "[ . 1 . 2]" 1
400 1 88 PHE H 1 89 LEU H 4.000 . 5.000 4.272 4.176 4.374 . 0 0 "[ . 1 . 2]" 1
401 1 89 LEU HA 1 90 ASP H 2.500 . 3.000 2.214 2.139 2.313 . 0 0 "[ . 1 . 2]" 1
402 1 89 LEU HB2 1 90 ASP H 4.000 . 5.000 4.004 3.812 4.216 . 0 0 "[ . 1 . 2]" 1
403 1 89 LEU HB3 1 90 ASP H 3.500 . 4.000 3.045 2.850 3.249 . 0 0 "[ . 1 . 2]" 1
404 1 89 LEU MD2 1 90 ASP H 5.500 . 6.500 4.263 3.706 4.928 . 0 0 "[ . 1 . 2]" 1
405 1 89 LEU HG 1 90 ASP H 5.000 . 6.000 4.740 4.092 5.290 . 0 0 "[ . 1 . 2]" 1
406 1 90 ASP HA 1 91 LYS H 3.500 . 4.000 2.683 2.461 2.921 . 0 0 "[ . 1 . 2]" 1
407 1 90 ASP HB2 1 91 LYS H 3.500 . 4.000 3.501 2.198 3.807 . 0 0 "[ . 1 . 2]" 1
408 1 90 ASP HB3 1 91 LYS H 3.500 . 4.000 3.127 2.511 3.708 . 0 0 "[ . 1 . 2]" 1
409 1 90 ASP H 1 91 LYS H 4.000 . 5.000 4.511 4.344 4.650 . 0 0 "[ . 1 . 2]" 1
410 1 91 LYS HA 1 92 GLU H 4.000 . 5.000 3.464 3.164 3.583 . 0 0 "[ . 1 . 2]" 1
411 1 91 LYS HD2 1 92 GLU H 5.000 . 6.000 4.612 2.313 5.446 . 0 0 "[ . 1 . 2]" 1
412 1 91 LYS HG2 1 92 GLU H 4.000 . 5.000 2.977 2.005 4.247 . 0 0 "[ . 1 . 2]" 1
413 1 91 LYS H 1 92 GLU H 3.500 . 4.000 2.742 2.467 2.978 . 0 0 "[ . 1 . 2]" 1
414 1 92 GLU HA 1 93 GLY H 3.500 . 4.000 3.295 3.036 3.531 . 0 0 "[ . 1 . 2]" 1
415 1 92 GLU HB2 1 93 GLY H 4.000 . 5.000 3.670 2.446 4.447 . 0 0 "[ . 1 . 2]" 1
416 1 92 GLU H 1 93 GLY H 2.500 . 3.000 2.451 2.237 2.619 . 0 0 "[ . 1 . 2]" 1
417 1 93 GLY HA2 1 94 ASN H 4.000 . 5.000 3.083 2.968 3.419 . 0 0 "[ . 1 . 2]" 1
418 1 93 GLY HA3 1 94 ASN H 4.000 . 5.000 3.416 3.070 3.518 . 0 0 "[ . 1 . 2]" 1
419 1 93 GLY H 1 94 ASN HD22 5.000 . 6.000 4.911 3.891 6.024 0.024 15 0 "[ . 1 . 2]" 1
420 1 93 GLY H 1 94 ASN H 2.500 . 3.000 2.330 1.773 2.618 0.027 3 0 "[ . 1 . 2]" 1
421 1 94 ASN HB2 1 95 LYS H 5.000 . 6.000 3.803 2.814 4.503 . 0 0 "[ . 1 . 2]" 1
422 1 94 ASN HB3 1 95 LYS H 4.000 . 5.000 3.664 2.898 4.171 . 0 0 "[ . 1 . 2]" 1
423 1 94 ASN H 1 95 LYS H 4.000 . 5.000 4.477 4.330 4.598 . 0 0 "[ . 1 . 2]" 1
424 1 95 LYS HA 1 96 PHE H 3.000 . 3.500 2.210 2.131 2.285 . 0 0 "[ . 1 . 2]" 1
425 1 95 LYS HB2 1 96 PHE H 5.000 . 6.000 4.350 3.509 4.592 . 0 0 "[ . 1 . 2]" 1
426 1 95 LYS HG2 1 96 PHE H 5.000 . 6.000 4.397 3.375 5.348 . 0 0 "[ . 1 . 2]" 1
427 1 96 PHE HA 1 97 TYR H 5.000 . 6.000 3.568 3.531 3.584 . 0 0 "[ . 1 . 2]" 1
428 1 96 PHE HB3 1 97 TYR H 3.500 . 4.000 2.469 2.042 2.674 . 0 0 "[ . 1 . 2]" 1
429 1 96 PHE QD 1 97 TYR HB2 5.500 . 6.500 2.465 1.812 2.844 . 0 0 "[ . 1 . 2]" 1
430 1 96 PHE QD 1 97 TYR H 5.000 . 6.000 3.370 2.938 3.688 . 0 0 "[ . 1 . 2]" 1
431 1 96 PHE H 1 97 TYR H 3.000 . 3.500 2.434 1.970 2.670 . 0 0 "[ . 1 . 2]" 1
432 1 97 TYR HA 1 98 VAL MG1 5.500 . 6.500 3.860 3.497 5.506 . 0 0 "[ . 1 . 2]" 1
433 1 97 TYR HA 1 98 VAL H 3.000 . 3.500 2.172 2.128 2.262 . 0 0 "[ . 1 . 2]" 1
434 1 97 TYR HB2 1 98 VAL H 4.000 . 5.000 4.186 3.971 4.423 . 0 0 "[ . 1 . 2]" 1
435 1 97 TYR QD 1 98 VAL H 5.000 . 6.000 3.364 2.939 3.832 . 0 0 "[ . 1 . 2]" 1
436 1 98 VAL HB 1 99 HIS H 5.000 . 6.000 3.415 2.727 4.166 . 0 0 "[ . 1 . 2]" 1
437 1 98 VAL MG1 1 99 HIS H 5.500 . 6.500 3.772 2.387 4.069 . 0 0 "[ . 1 . 2]" 1
438 1 98 VAL MG2 1 99 HIS HA 5.500 . 6.500 3.789 3.367 5.551 . 0 0 "[ . 1 . 2]" 1
439 1 98 VAL MG2 1 99 HIS H 5.000 . 6.000 3.173 2.339 4.141 . 0 0 "[ . 1 . 2]" 1
440 1 98 VAL H 1 99 HIS H 5.000 . 6.000 4.457 4.323 4.545 . 0 0 "[ . 1 . 2]" 1
441 1 99 HIS HA 1 100 GLN H 4.000 . 5.000 2.185 2.138 2.254 . 0 0 "[ . 1 . 2]" 1
442 1 100 GLN HA 1 101 GLY H 3.000 . 3.500 2.182 2.116 2.354 . 0 0 "[ . 1 . 2]" 1
443 1 101 GLY HA2 1 102 LEU H 3.000 . 3.500 2.640 2.354 3.230 . 0 0 "[ . 1 . 2]" 1
444 1 101 GLY HA3 1 102 LEU H 3.000 . 3.500 2.506 2.139 2.805 . 0 0 "[ . 1 . 2]" 1
445 1 101 GLY H 1 102 LEU H 4.000 . 5.000 4.411 4.250 4.569 . 0 0 "[ . 1 . 2]" 1
446 1 102 LEU HA 1 103 MET H 2.500 . 3.000 2.323 2.142 3.456 0.456 10 0 "[ . 1 . 2]" 1
447 1 102 LEU HB2 1 103 MET H 4.000 . 5.000 3.973 2.320 4.476 . 0 0 "[ . 1 . 2]" 1
448 1 102 LEU HB3 1 103 MET H 4.000 . 5.000 3.822 2.084 4.428 . 0 0 "[ . 1 . 2]" 1
449 1 102 LEU MD1 1 103 MET H 5.000 . 6.000 2.467 1.872 4.290 . 0 0 "[ . 1 . 2]" 1
450 1 102 LEU MD2 1 103 MET H 5.500 . 6.500 3.981 2.621 5.032 . 0 0 "[ . 1 . 2]" 1
451 1 102 LEU HG 1 103 MET H 4.000 . 5.000 2.842 1.830 4.860 . 0 0 "[ . 1 . 2]" 1
452 1 103 MET HA 1 104 ARG H 2.500 . 3.000 2.391 2.152 2.733 . 0 0 "[ . 1 . 2]" 1
453 1 103 MET HB2 1 104 ARG H 3.000 . 3.500 3.247 2.307 3.612 0.112 3 0 "[ . 1 . 2]" 1
454 1 103 MET H 1 104 ARG H 5.000 . 6.000 4.380 4.063 4.551 . 0 0 "[ . 1 . 2]" 1
455 1 104 ARG HA 1 105 LYS H 3.000 . 3.500 2.495 2.414 2.598 . 0 0 "[ . 1 . 2]" 1
456 1 104 ARG HG2 1 105 LYS H 5.000 . 6.000 4.578 3.486 4.925 . 0 0 "[ . 1 . 2]" 1
457 1 104 ARG HG3 1 105 LYS H 5.000 . 6.000 4.168 1.781 4.841 0.019 19 0 "[ . 1 . 2]" 1
458 1 105 LYS HB2 1 106 ASN H 4.000 . 5.000 3.779 3.629 3.934 . 0 0 "[ . 1 . 2]" 1
459 1 105 LYS H 1 106 ASN H 5.000 . 6.000 3.025 2.839 3.168 . 0 0 "[ . 1 . 2]" 1
460 1 106 ASN HB3 1 107 ASN HD22 3.500 . 4.000 4.068 3.980 4.177 0.177 12 0 "[ . 1 . 2]" 1
461 1 106 ASN H 1 107 ASN H 3.500 . 4.000 2.657 2.534 2.833 . 0 0 "[ . 1 . 2]" 1
462 1 107 ASN HA 1 108 ILE H 4.000 . 5.000 3.534 3.518 3.557 . 0 0 "[ . 1 . 2]" 1
463 1 107 ASN H 1 108 ILE H 3.000 . 3.500 2.561 2.436 2.727 . 0 0 "[ . 1 . 2]" 1
464 1 108 ILE HB 1 109 GLU H 3.000 . 3.500 2.360 2.256 2.483 . 0 0 "[ . 1 . 2]" 1
465 1 108 ILE MD 1 109 GLU HG3 5.500 . 6.500 5.777 4.633 6.576 0.076 6 0 "[ . 1 . 2]" 1
466 1 108 ILE HG12 1 109 GLU H 4.000 . 5.000 4.841 4.730 4.895 . 0 0 "[ . 1 . 2]" 1
467 1 108 ILE HG13 1 109 GLU H 5.000 . 6.000 3.959 3.780 4.061 . 0 0 "[ . 1 . 2]" 1
468 1 108 ILE MG 1 109 GLU HA 5.500 . 6.500 3.594 3.429 3.789 . 0 0 "[ . 1 . 2]" 1
469 1 108 ILE MG 1 109 GLU H 5.500 . 6.500 3.419 3.296 3.532 . 0 0 "[ . 1 . 2]" 1
470 1 108 ILE H 1 109 GLU H 3.500 . 4.000 2.679 2.613 2.748 . 0 0 "[ . 1 . 2]" 1
471 1 109 GLU HA 1 110 THR H 4.000 . 5.000 3.549 3.523 3.565 . 0 0 "[ . 1 . 2]" 1
472 1 109 GLU HB2 1 110 THR H 4.000 . 5.000 2.763 2.311 3.652 . 0 0 "[ . 1 . 2]" 1
473 1 109 GLU HB3 1 110 THR H 3.500 . 4.000 3.087 2.393 3.571 . 0 0 "[ . 1 . 2]" 1
474 1 109 GLU H 1 110 THR H 3.500 . 4.000 2.869 2.684 2.968 . 0 0 "[ . 1 . 2]" 1
475 1 110 THR HA 1 111 ILE H 4.000 . 5.000 3.543 3.507 3.565 . 0 0 "[ . 1 . 2]" 1
476 1 110 THR HB 1 111 ILE MD 5.500 . 6.500 3.694 2.622 4.826 . 0 0 "[ . 1 . 2]" 1
477 1 110 THR HB 1 111 ILE H 3.500 . 4.000 2.688 2.554 2.873 . 0 0 "[ . 1 . 2]" 1
478 1 110 THR MG 1 111 ILE HA 5.500 . 6.500 3.677 3.574 3.775 . 0 0 "[ . 1 . 2]" 1
479 1 110 THR MG 1 111 ILE MD 6.000 . 7.000 3.608 2.829 5.200 . 0 0 "[ . 1 . 2]" 1
480 1 110 THR MG 1 111 ILE MG 6.000 . 7.000 5.165 4.963 5.459 . 0 0 "[ . 1 . 2]" 1
481 1 110 THR MG 1 111 ILE H 5.500 . 6.500 3.647 3.538 3.778 . 0 0 "[ . 1 . 2]" 1
482 1 110 THR H 1 111 ILE H 3.500 . 4.000 2.664 2.561 2.730 . 0 0 "[ . 1 . 2]" 1
483 1 111 ILE HA 1 112 LEU H 4.000 . 5.000 3.555 3.533 3.587 . 0 0 "[ . 1 . 2]" 1
484 1 111 ILE HB 1 112 LEU H 3.500 . 4.000 2.679 2.514 2.978 . 0 0 "[ . 1 . 2]" 1
485 1 111 ILE MG 1 112 LEU HA 5.500 . 6.500 3.431 3.036 3.776 . 0 0 "[ . 1 . 2]" 1
486 1 111 ILE MG 1 112 LEU MD2 6.000 . 7.000 3.282 2.491 3.720 . 0 0 "[ . 1 . 2]" 1
487 1 111 ILE MG 1 112 LEU H 5.500 . 6.500 3.360 2.707 3.668 . 0 0 "[ . 1 . 2]" 1
488 1 111 ILE H 1 112 LEU H 3.500 . 4.000 2.648 2.561 2.724 . 0 0 "[ . 1 . 2]" 1
489 1 112 LEU HA 1 113 ASN H 5.000 . 6.000 3.503 3.457 3.525 . 0 0 "[ . 1 . 2]" 1
490 1 112 LEU HB2 1 113 ASN H 4.000 . 5.000 2.581 2.411 2.721 . 0 0 "[ . 1 . 2]" 1
491 1 112 LEU HB3 1 113 ASN HA 4.000 . 5.000 4.544 4.353 4.772 . 0 0 "[ . 1 . 2]" 1
492 1 112 LEU HB3 1 113 ASN H 4.000 . 5.000 3.689 3.521 3.845 . 0 0 "[ . 1 . 2]" 1
493 1 112 LEU H 1 113 ASN H 3.500 . 4.000 2.630 2.525 2.719 . 0 0 "[ . 1 . 2]" 1
494 1 113 ASN HA 1 114 SER H 4.000 . 5.000 3.522 3.471 3.576 . 0 0 "[ . 1 . 2]" 1
495 1 113 ASN HB2 1 114 SER H 3.500 . 4.000 3.442 2.592 4.078 0.078 1 0 "[ . 1 . 2]" 1
496 1 113 ASN HB3 1 114 SER H 3.500 . 4.000 3.076 2.446 3.852 . 0 0 "[ . 1 . 2]" 1
497 1 113 ASN H 1 114 SER H 3.000 . 3.500 2.700 2.583 2.799 . 0 0 "[ . 1 . 2]" 1
498 1 114 SER HA 1 115 LEU H 4.000 . 5.000 3.415 3.271 3.509 . 0 0 "[ . 1 . 2]" 1
499 1 114 SER HB2 1 115 LEU H 4.000 . 5.000 3.408 2.705 4.274 . 0 0 "[ . 1 . 2]" 1
500 1 114 SER HB3 1 115 LEU H 4.000 . 5.000 3.849 2.661 4.380 . 0 0 "[ . 1 . 2]" 1
501 1 114 SER H 1 115 LEU HB2 5.000 . 6.000 4.634 4.307 4.885 . 0 0 "[ . 1 . 2]" 1
502 1 114 SER H 1 115 LEU H 3.000 . 3.500 2.405 2.336 2.537 . 0 0 "[ . 1 . 2]" 1
503 1 115 LEU HB2 1 116 GLY H 4.000 . 5.000 3.087 1.749 3.778 0.051 12 0 "[ . 1 . 2]" 1
504 1 115 LEU HG 1 116 GLY H 5.000 . 6.000 3.213 2.269 4.796 . 0 0 "[ . 1 . 2]" 1
505 1 115 LEU H 1 116 GLY H 3.000 . 3.500 2.845 2.536 3.156 . 0 0 "[ . 1 . 2]" 1
506 1 116 GLY HA3 1 117 VAL H 3.500 . 4.000 2.579 2.091 3.334 . 0 0 "[ . 1 . 2]" 1
507 1 116 GLY H 1 117 VAL MG2 5.500 . 6.500 2.628 2.251 3.094 . 0 0 "[ . 1 . 2]" 1
508 1 117 VAL HA 1 118 LYS H 2.500 . 3.000 2.423 2.097 2.853 . 0 0 "[ . 1 . 2]" 1
509 1 117 VAL H 1 118 LYS H 4.000 . 5.000 3.123 2.591 4.276 . 0 0 "[ . 1 . 2]" 1
510 1 118 LYS HA 1 119 GLU H 2.500 . 3.000 2.558 2.167 3.453 0.453 1 0 "[ . 1 . 2]" 1
511 1 118 LYS HB3 1 119 GLU H 4.000 . 5.000 3.731 2.251 4.573 . 0 0 "[ . 1 . 2]" 1
512 1 119 GLU HA 1 120 GLY H 3.000 . 3.500 2.656 2.137 3.542 0.042 8 0 "[ . 1 . 2]" 1
513 1 119 GLU HB2 1 120 GLY H 4.000 . 5.000 3.894 2.595 4.673 . 0 0 "[ . 1 . 2]" 1
514 1 119 GLU HB3 1 120 GLY H 5.000 . 6.000 3.546 1.687 4.358 0.113 2 0 "[ . 1 . 2]" 1
515 1 3 LEU QB 1 4 GLU HA 5.000 . 6.000 4.474 3.705 5.100 . 0 0 "[ . 1 . 2]" 1
516 1 5 GLY QA 1 6 ILE H 3.000 . 3.500 2.666 2.395 2.914 . 0 0 "[ . 1 . 2]" 1
517 1 6 ILE HG13 1 7 LYS QB 3.000 . 3.500 3.126 2.546 3.674 0.174 3 0 "[ . 1 . 2]" 1
518 1 16 VAL QG 1 17 VAL H 3.500 . 4.000 2.722 2.155 3.323 . 0 0 "[ . 1 . 2]" 1
519 1 18 GLU QG 1 19 ASN H 3.500 . 4.000 3.219 2.513 3.726 . 0 0 "[ . 1 . 2]" 1
520 1 24 LYS QE 1 25 GLU HA 5.000 . 6.000 5.622 2.734 6.230 0.230 6 0 "[ . 1 . 2]" 1
521 1 24 LYS QG 1 25 GLU H 3.500 . 4.000 3.146 1.897 4.313 0.313 20 0 "[ . 1 . 2]" 1
522 1 27 ILE HA 1 28 PRO QD 3.000 . 3.500 1.915 1.802 2.019 . 0 0 "[ . 1 . 2]" 1
523 1 27 ILE HB 1 28 PRO QD 3.500 . 4.000 2.470 1.985 3.031 . 0 0 "[ . 1 . 2]" 1
524 1 27 ILE MD 1 28 PRO QD 5.500 . 6.500 4.410 3.931 4.853 . 0 0 "[ . 1 . 2]" 1
525 1 27 ILE MG 1 28 PRO QD 5.000 . 6.000 3.163 2.793 3.499 . 0 0 "[ . 1 . 2]" 1
526 1 27 ILE H 1 28 PRO QD 5.000 . 6.000 4.339 4.236 4.417 . 0 0 "[ . 1 . 2]" 1
527 1 33 PHE QB 1 34 LYS H 3.500 . 4.000 3.140 2.698 3.408 . 0 0 "[ . 1 . 2]" 1
528 1 38 CYS HA 1 39 PRO QG 4.000 . 5.000 3.777 3.652 3.943 . 0 0 "[ . 1 . 2]" 1
529 1 40 TYR QB 1 41 CYS H 4.000 . 5.000 2.906 2.675 3.107 . 0 0 "[ . 1 . 2]" 1
530 1 43 GLU QB 1 44 MET H 3.000 . 3.500 2.408 2.304 2.528 . 0 0 "[ . 1 . 2]" 1
531 1 50 TYR QB 1 51 VAL MG1 5.500 . 6.500 5.104 4.796 5.321 . 0 0 "[ . 1 . 2]" 1
532 1 50 TYR QB 1 51 VAL H 3.500 . 4.000 2.673 2.201 2.968 . 0 0 "[ . 1 . 2]" 1
533 1 52 SER H 1 53 LYS QB 4.000 . 5.000 4.482 4.240 5.024 0.024 6 0 "[ . 1 . 2]" 1
534 1 53 LYS QG 1 54 GLU HA 5.000 . 6.000 4.616 3.302 6.010 0.010 7 0 "[ . 1 . 2]" 1
535 1 55 ARG H 1 56 GLU QG 5.000 . 6.000 4.927 3.053 6.207 0.207 14 0 "[ . 1 . 2]" 1
536 1 56 GLU QB 1 57 GLY H 4.000 . 5.000 3.329 2.886 3.852 . 0 0 "[ . 1 . 2]" 1
537 1 56 GLU QG 1 57 GLY H 4.000 . 5.000 4.027 2.743 4.915 . 0 0 "[ . 1 . 2]" 1
538 1 62 TYR QB 1 63 TYR H 4.000 . 5.000 3.889 3.828 4.000 . 0 0 "[ . 1 . 2]" 1
539 1 69 GLU QB 1 70 LYS H 3.000 . 3.500 3.173 2.638 3.584 0.084 4 0 "[ . 1 . 2]" 1
540 1 69 GLU QG 1 70 LYS H 4.000 . 5.000 3.587 2.324 4.679 . 0 0 "[ . 1 . 2]" 1
541 1 74 LEU QB 1 75 ALA HA 5.000 . 6.000 3.850 3.736 3.975 . 0 0 "[ . 1 . 2]" 1
542 1 74 LEU QB 1 75 ALA MB 5.500 . 6.500 3.827 3.730 3.982 . 0 0 "[ . 1 . 2]" 1
543 1 74 LEU QB 1 75 ALA H 2.500 . 3.000 2.560 2.381 2.759 . 0 0 "[ . 1 . 2]" 1
544 1 76 TYR QB 1 77 LYS HA 5.000 . 6.000 4.040 3.898 4.255 . 0 0 "[ . 1 . 2]" 1
545 1 76 TYR QB 1 77 LYS H 3.000 . 3.500 2.743 2.658 2.846 . 0 0 "[ . 1 . 2]" 1
546 1 81 ASN QB 1 82 ILE H 3.500 . 4.000 3.292 1.858 3.930 . 0 0 "[ . 1 . 2]" 1
547 1 92 GLU QG 1 93 GLY H 4.000 . 5.000 4.278 3.360 4.910 . 0 0 "[ . 1 . 2]" 1
548 1 105 LYS QG 1 106 ASN HA 4.000 . 5.000 3.189 2.886 3.416 . 0 0 "[ . 1 . 2]" 1
549 1 105 LYS QG 1 106 ASN H 4.000 . 5.000 2.673 1.903 3.349 . 0 0 "[ . 1 . 2]" 1
550 1 106 ASN QB 1 107 ASN HD21 4.000 . 5.000 3.615 2.813 4.694 . 0 0 "[ . 1 . 2]" 1
551 1 106 ASN QB 1 107 ASN H 2.500 . 3.000 2.769 2.460 2.898 . 0 0 "[ . 1 . 2]" 1
552 1 107 ASN QB 1 108 ILE H 4.000 . 5.000 2.431 2.295 2.586 . 0 0 "[ . 1 . 2]" 1
553 1 117 VAL QG 1 118 LYS HA 5.000 . 6.000 3.955 3.350 4.364 . 0 0 "[ . 1 . 2]" 1
554 1 117 VAL QG 1 118 LYS H 4.000 . 5.000 3.532 3.020 3.767 . 0 0 "[ . 1 . 2]" 1
555 1 16 VAL MG2 1 17 VAL HA 5.000 . 6.000 3.693 3.208 5.478 . 0 0 "[ . 1 . 2]" 1
556 1 82 ILE MG 1 83 VAL H 4.500 . 5.500 3.349 2.298 3.729 . 0 0 "[ . 1 . 2]" 1
557 1 29 THR MG 1 30 ILE HA 5.500 . 6.500 3.903 3.771 4.057 . 0 0 "[ . 1 . 2]" 1
558 1 34 LYS HB3 1 35 THR H 4.000 . 5.000 4.093 3.649 4.335 . 0 0 "[ . 1 . 2]" 1
559 1 105 LYS HB3 1 106 ASN H 3.500 . 4.000 3.009 2.244 4.016 0.016 5 0 "[ . 1 . 2]" 1
560 1 25 GLU QB 1 26 GLY HA2 5.000 . 6.000 4.086 3.764 4.800 . 0 0 "[ . 1 . 2]" 1
561 1 26 GLY HA3 1 27 ILE H 3.500 . 4.000 3.074 2.525 3.559 . 0 0 "[ . 1 . 2]" 1
562 1 25 GLU QB 1 26 GLY HA3 5.000 . 6.000 4.258 3.948 4.993 . 0 0 "[ . 1 . 2]" 1
563 1 87 VAL MG1 1 88 PHE H 5.000 . 6.000 3.616 2.669 4.031 . 0 0 "[ . 1 . 2]" 1
564 1 47 GLU HA 1 48 LEU H 4.000 . 5.000 3.544 3.531 3.558 . 0 0 "[ . 1 . 2]" 1
565 1 6 ILE H 1 7 LYS H 4.000 . 5.000 3.090 1.693 4.513 0.107 3 0 "[ . 1 . 2]" 1
566 1 114 SER HB3 1 115 LEU MD1 5.500 . 6.500 5.836 4.886 6.351 . 0 0 "[ . 1 . 2]" 1
567 1 77 LYS HB3 1 78 TYR QE 5.000 . 6.000 3.496 3.012 4.022 . 0 0 "[ . 1 . 2]" 1
568 1 41 CYS QB 1 42 VAL MG2 5.000 . 6.000 4.038 2.884 5.340 . 0 0 "[ . 1 . 2]" 1
569 1 111 ILE HB 1 112 LEU MD1 5.500 . 6.500 5.020 4.159 5.490 . 0 0 "[ . 1 . 2]" 1
570 1 45 GLN HB2 1 46 LYS H 3.500 . 4.000 2.938 2.416 4.017 0.017 10 0 "[ . 1 . 2]" 1
571 1 4 GLU HB2 1 6 ILE H 3.000 . 3.500 3.244 2.055 3.675 0.175 17 0 "[ . 1 . 2]" 1
572 1 4 GLU HB2 1 8 GLN H 4.000 . 5.000 3.806 2.199 5.136 0.136 5 0 "[ . 1 . 2]" 1
573 1 6 ILE H 1 9 ILE MG 5.500 . 6.500 5.365 2.680 6.664 0.164 13 0 "[ . 1 . 2]" 1
574 1 9 ILE MD 1 13 SER HB2 5.500 . 6.500 5.575 2.476 6.588 0.088 10 0 "[ . 1 . 2]" 1
575 1 11 PHE HA 1 14 ILE HG13 4.000 . 5.000 4.865 3.248 5.141 0.141 2 0 "[ . 1 . 2]" 1
576 1 13 SER HA 1 16 VAL HB 4.000 . 5.000 4.673 1.715 5.303 0.303 6 0 "[ . 1 . 2]" 1
577 1 13 SER HA 1 16 VAL MG1 5.000 . 6.000 4.063 1.870 6.076 0.076 16 0 "[ . 1 . 2]" 1
578 1 13 SER HB2 1 16 VAL HB 4.000 . 5.000 3.050 1.744 4.917 0.056 10 0 "[ . 1 . 2]" 1
579 1 13 SER HB2 1 16 VAL MG1 5.000 . 6.000 3.351 2.354 4.555 . 0 0 "[ . 1 . 2]" 1
580 1 13 SER HB3 1 16 VAL HB 4.000 . 5.000 3.331 1.759 4.435 0.041 9 0 "[ . 1 . 2]" 1
581 1 13 SER HB3 1 16 VAL MG1 5.500 . 6.500 3.533 1.793 4.787 0.007 6 0 "[ . 1 . 2]" 1
582 1 13 SER HB3 1 16 VAL MG2 5.500 . 6.500 3.591 1.768 5.621 0.032 3 0 "[ . 1 . 2]" 1
583 1 14 ILE HA 1 16 VAL H 3.500 . 4.000 3.629 2.894 4.249 0.249 12 0 "[ . 1 . 2]" 1
584 1 16 VAL MG2 1 18 GLU HA 5.500 . 6.500 4.763 3.864 6.620 0.120 12 0 "[ . 1 . 2]" 1
585 1 17 VAL HA 1 19 ASN H 4.000 . 5.000 4.283 3.731 4.615 . 0 0 "[ . 1 . 2]" 1
586 1 17 VAL MG1 1 19 ASN H 5.500 . 6.500 2.963 1.850 4.842 . 0 0 "[ . 1 . 2]" 1
587 1 17 VAL MG2 1 19 ASN H 5.500 . 6.500 3.746 1.876 5.222 . 0 0 "[ . 1 . 2]" 1
588 1 17 VAL MG1 1 20 LEU HA 5.000 . 6.000 4.044 2.895 5.838 . 0 0 "[ . 1 . 2]" 1
589 1 17 VAL MG2 1 22 GLU HB3 5.500 . 6.500 3.580 1.911 4.859 . 0 0 "[ . 1 . 2]" 1
590 1 18 GLU H 1 22 GLU HB3 3.500 . 4.000 3.226 2.408 4.021 0.021 12 0 "[ . 1 . 2]" 1
591 1 19 ASN HB2 1 21 GLU H 4.000 . 5.000 4.353 3.960 4.879 . 0 0 "[ . 1 . 2]" 1
592 1 19 ASN HB3 1 21 GLU H 3.500 . 4.000 2.751 2.332 3.264 . 0 0 "[ . 1 . 2]" 1
593 1 19 ASN HB2 1 22 GLU HB2 5.000 . 6.000 4.854 2.955 5.668 . 0 0 "[ . 1 . 2]" 1
594 1 19 ASN HB3 1 22 GLU HB2 5.000 . 6.000 4.210 3.109 5.059 . 0 0 "[ . 1 . 2]" 1
595 1 19 ASN HB3 1 22 GLU H 4.000 . 5.000 3.181 2.522 3.690 . 0 0 "[ . 1 . 2]" 1
596 1 19 ASN H 1 22 GLU HB2 3.000 . 3.500 2.490 1.791 3.418 0.009 11 0 "[ . 1 . 2]" 1
597 1 19 ASN H 1 22 GLU HB3 3.500 . 4.000 3.357 1.762 4.080 0.080 2 0 "[ . 1 . 2]" 1
598 1 20 LEU HA 1 23 ALA MB 5.000 . 6.000 2.326 1.796 3.066 0.004 1 0 "[ . 1 . 2]" 1
599 1 20 LEU MD1 1 23 ALA MB 6.000 . 7.000 4.291 2.412 5.342 . 0 0 "[ . 1 . 2]" 1
600 1 20 LEU MD2 1 23 ALA MB 6.000 . 7.000 3.549 2.195 5.655 . 0 0 "[ . 1 . 2]" 1
601 1 21 GLU HA 1 23 ALA MB 5.500 . 6.500 4.727 4.369 5.175 . 0 0 "[ . 1 . 2]" 1
602 1 21 GLU HA 1 23 ALA H 4.000 . 5.000 3.746 3.125 4.337 . 0 0 "[ . 1 . 2]" 1
603 1 21 GLU H 1 23 ALA H 4.000 . 5.000 3.926 3.536 4.298 . 0 0 "[ . 1 . 2]" 1
604 1 24 LYS H 1 27 ILE MD 5.500 . 6.500 3.688 3.025 4.549 . 0 0 "[ . 1 . 2]" 1
605 1 25 GLU HA 1 27 ILE H 4.000 . 5.000 3.932 2.583 5.058 0.058 20 0 "[ . 1 . 2]" 1
606 1 29 THR MG 1 31 ILE HG13 4.000 . 5.000 2.594 2.012 4.166 . 0 0 "[ . 1 . 2]" 1
607 1 30 ILE MG 1 32 MET HG3 5.500 . 6.500 5.232 3.897 6.051 . 0 0 "[ . 1 . 2]" 1
608 1 31 ILE MD 1 33 PHE QE 6.000 . 7.000 4.305 3.719 5.130 . 0 0 "[ . 1 . 2]" 1
609 1 31 ILE MG 1 33 PHE HA 5.500 . 6.500 4.098 3.818 4.643 . 0 0 "[ . 1 . 2]" 1
610 1 31 ILE MG 1 33 PHE QD 6.000 . 7.000 3.415 3.127 3.836 . 0 0 "[ . 1 . 2]" 1
611 1 31 ILE MG 1 33 PHE QE 6.000 . 7.000 2.833 2.528 3.200 . 0 0 "[ . 1 . 2]" 1
612 1 32 MET ME 1 34 LYS HA 5.500 . 6.500 4.029 2.634 4.885 . 0 0 "[ . 1 . 2]" 1
613 1 32 MET ME 1 34 LYS HB3 5.500 . 6.500 2.666 1.805 3.336 . 0 0 "[ . 1 . 2]" 1
614 1 32 MET ME 1 34 LYS HD2 5.000 . 6.000 4.281 2.721 5.954 . 0 0 "[ . 1 . 2]" 1
615 1 32 MET ME 1 34 LYS HD3 5.500 . 6.500 4.599 3.251 5.959 . 0 0 "[ . 1 . 2]" 1
616 1 35 THR HB 1 37 THR H 4.000 . 5.000 3.618 2.215 5.054 0.054 12 0 "[ . 1 . 2]" 1
617 1 38 CYS HA 1 40 TYR H 3.500 . 4.000 3.800 3.469 4.111 0.111 7 0 "[ . 1 . 2]" 1
618 1 39 PRO HA 1 41 CYS H 3.500 . 4.000 3.805 3.366 4.078 0.078 11 0 "[ . 1 . 2]" 1
619 1 39 PRO HA 1 42 VAL HB 3.500 . 4.000 3.691 2.662 4.152 0.152 19 0 "[ . 1 . 2]" 1
620 1 39 PRO HA 1 42 VAL MG1 5.500 . 6.500 3.629 1.900 5.047 . 0 0 "[ . 1 . 2]" 1
621 1 39 PRO HA 1 42 VAL MG2 5.000 . 6.000 3.642 2.090 5.163 . 0 0 "[ . 1 . 2]" 1
622 1 39 PRO HA 1 42 VAL H 3.500 . 4.000 3.338 2.658 3.673 . 0 0 "[ . 1 . 2]" 1
623 1 40 TYR HA 1 43 GLU HG2 4.000 . 5.000 4.412 3.972 5.140 0.140 5 0 "[ . 1 . 2]" 1
624 1 40 TYR HA 1 43 GLU HG3 4.000 . 5.000 4.762 3.518 5.082 0.082 16 0 "[ . 1 . 2]" 1
625 1 41 CYS HA 1 44 MET HB2 5.000 . 6.000 3.960 3.031 4.846 . 0 0 "[ . 1 . 2]" 1
626 1 41 CYS HA 1 44 MET HB3 4.000 . 5.000 3.422 2.958 3.968 . 0 0 "[ . 1 . 2]" 1
627 1 42 VAL HA 1 45 GLN HB2 4.000 . 5.000 2.527 2.067 4.727 . 0 0 "[ . 1 . 2]" 1
628 1 42 VAL HA 1 45 GLN HB3 3.500 . 4.000 3.635 2.016 4.056 0.056 10 0 "[ . 1 . 2]" 1
629 1 42 VAL HA 1 45 GLN HG2 4.000 . 5.000 4.179 1.923 5.019 0.019 15 0 "[ . 1 . 2]" 1
630 1 42 VAL HA 1 45 GLN HG3 3.500 . 4.000 3.131 2.121 4.019 0.019 4 0 "[ . 1 . 2]" 1
631 1 42 VAL HA 1 45 GLN H 4.000 . 5.000 3.360 3.127 3.634 . 0 0 "[ . 1 . 2]" 1
632 1 42 VAL MG1 1 45 GLN HB3 5.500 . 6.500 5.006 3.142 6.308 . 0 0 "[ . 1 . 2]" 1
633 1 42 VAL MG1 1 45 GLN H 5.500 . 6.500 4.778 4.350 5.138 . 0 0 "[ . 1 . 2]" 1
634 1 42 VAL MG1 1 46 LYS HE3 5.500 . 6.500 4.806 2.353 6.458 . 0 0 "[ . 1 . 2]" 1
635 1 43 GLU HA 1 46 LYS HB3 4.000 . 5.000 4.823 4.324 5.043 0.043 1 0 "[ . 1 . 2]" 1
636 1 43 GLU HA 1 46 LYS HG3 5.000 . 6.000 3.159 2.390 4.520 . 0 0 "[ . 1 . 2]" 1
637 1 43 GLU HA 1 46 LYS H 4.000 . 5.000 3.613 3.372 4.021 . 0 0 "[ . 1 . 2]" 1
638 1 44 MET H 1 46 LYS H 5.000 . 6.000 4.182 3.964 4.422 . 0 0 "[ . 1 . 2]" 1
639 1 44 MET H 1 47 GLU H 4.000 . 5.000 4.906 4.786 4.991 . 0 0 "[ . 1 . 2]" 1
640 1 44 MET HB2 1 48 LEU MD1 5.500 . 6.500 4.948 4.624 5.540 . 0 0 "[ . 1 . 2]" 1
641 1 44 MET ME 1 48 LEU MD1 6.000 . 7.000 3.065 2.290 3.905 . 0 0 "[ . 1 . 2]" 1
642 1 44 MET ME 1 48 LEU MD2 6.000 . 7.000 2.742 2.187 3.756 . 0 0 "[ . 1 . 2]" 1
643 1 44 MET HG2 1 48 LEU MD1 5.500 . 6.500 3.097 2.374 4.773 . 0 0 "[ . 1 . 2]" 1
644 1 44 MET HG2 1 48 LEU MD2 5.500 . 6.500 3.713 3.094 5.464 . 0 0 "[ . 1 . 2]" 1
645 1 44 MET HG3 1 48 LEU MD1 5.500 . 6.500 4.213 2.694 4.772 . 0 0 "[ . 1 . 2]" 1
646 1 44 MET HG3 1 48 LEU MD2 5.500 . 6.500 4.485 2.999 5.442 . 0 0 "[ . 1 . 2]" 1
647 1 45 GLN HA 1 48 LEU HB2 4.000 . 5.000 2.445 2.238 2.620 . 0 0 "[ . 1 . 2]" 1
648 1 45 GLN HA 1 48 LEU HB3 3.500 . 4.000 4.015 3.838 4.126 0.126 12 0 "[ . 1 . 2]" 1
649 1 45 GLN HA 1 48 LEU MD1 5.000 . 6.000 2.335 1.893 3.026 . 0 0 "[ . 1 . 2]" 1
650 1 45 GLN HA 1 48 LEU H 4.000 . 5.000 3.407 3.123 3.724 . 0 0 "[ . 1 . 2]" 1
651 1 45 GLN HG2 1 48 LEU MD1 5.500 . 6.500 3.564 2.820 5.137 . 0 0 "[ . 1 . 2]" 1
652 1 45 GLN HB2 1 49 SER H 5.000 . 6.000 5.727 5.063 6.064 0.064 15 0 "[ . 1 . 2]" 1
653 1 46 LYS HA 1 49 SER HB2 4.000 . 5.000 2.953 2.363 3.832 . 0 0 "[ . 1 . 2]" 1
654 1 46 LYS HA 1 49 SER HB3 3.500 . 4.000 3.419 2.334 4.116 0.116 6 0 "[ . 1 . 2]" 1
655 1 46 LYS HA 1 49 SER H 4.000 . 5.000 3.369 2.813 3.730 . 0 0 "[ . 1 . 2]" 1
656 1 46 LYS HB3 1 50 TYR QE 5.500 . 6.500 3.201 2.571 5.038 . 0 0 "[ . 1 . 2]" 1
657 1 47 GLU HA 1 50 TYR QD 4.000 . 5.000 2.246 1.783 3.345 0.017 6 0 "[ . 1 . 2]" 1
658 1 47 GLU HA 1 50 TYR QE 5.500 . 6.500 3.875 3.139 4.961 . 0 0 "[ . 1 . 2]" 1
659 1 47 GLU HA 1 50 TYR H 4.000 . 5.000 3.430 3.146 3.785 . 0 0 "[ . 1 . 2]" 1
660 1 48 LEU HA 1 51 VAL HB 3.500 . 4.000 2.761 2.340 3.522 . 0 0 "[ . 1 . 2]" 1
661 1 48 LEU HA 1 51 VAL MG1 5.000 . 6.000 4.095 3.748 4.603 . 0 0 "[ . 1 . 2]" 1
662 1 48 LEU MD2 1 52 SER H 5.500 . 6.500 4.977 4.591 5.362 . 0 0 "[ . 1 . 2]" 1
663 1 49 SER H 1 51 VAL H 5.000 . 6.000 4.079 3.879 4.658 . 0 0 "[ . 1 . 2]" 1
664 1 49 SER HA 1 52 SER HB2 3.000 . 3.500 2.798 2.376 3.229 . 0 0 "[ . 1 . 2]" 1
665 1 49 SER HA 1 52 SER HB3 5.000 . 6.000 4.240 2.544 4.769 . 0 0 "[ . 1 . 2]" 1
666 1 51 VAL HB 1 55 ARG H 5.000 . 6.000 5.738 5.251 6.103 0.103 14 0 "[ . 1 . 2]" 1
667 1 51 VAL MG1 1 55 ARG HD2 5.000 . 6.000 4.885 1.805 6.072 0.072 7 0 "[ . 1 . 2]" 1
668 1 52 SER HA 1 55 ARG HB2 4.000 . 5.000 4.468 2.786 5.072 0.072 4 0 "[ . 1 . 2]" 1
669 1 53 LYS H 1 55 ARG H 3.500 . 4.000 3.909 3.668 4.093 0.093 13 0 "[ . 1 . 2]" 1
670 1 55 ARG HG3 1 58 LYS HA 4.000 . 5.000 4.886 4.515 5.175 0.175 12 0 "[ . 1 . 2]" 1
671 1 55 ARG HG3 1 58 LYS HB3 4.000 . 5.000 2.962 1.702 3.598 0.098 7 0 "[ . 1 . 2]" 1
672 1 55 ARG HG3 1 58 LYS H 4.000 . 5.000 4.224 3.553 5.023 0.023 2 0 "[ . 1 . 2]" 1
673 1 55 ARG HA 1 59 PHE QE 5.500 . 6.500 4.844 4.463 5.811 . 0 0 "[ . 1 . 2]" 1
674 1 55 ARG HB2 1 59 PHE QD 5.500 . 6.500 4.779 3.805 5.833 . 0 0 "[ . 1 . 2]" 1
675 1 55 ARG HB2 1 59 PHE QE 5.500 . 6.500 3.338 2.200 4.571 . 0 0 "[ . 1 . 2]" 1
676 1 55 ARG HB3 1 59 PHE QE 5.500 . 6.500 2.355 1.750 4.787 0.050 3 0 "[ . 1 . 2]" 1
677 1 55 ARG HD2 1 59 PHE QD 5.500 . 6.500 4.857 2.659 6.185 . 0 0 "[ . 1 . 2]" 1
678 1 55 ARG HD2 1 59 PHE QE 5.500 . 6.500 4.389 1.774 6.079 0.026 14 0 "[ . 1 . 2]" 1
679 1 55 ARG HD3 1 59 PHE QE 5.500 . 6.500 4.616 3.044 5.621 . 0 0 "[ . 1 . 2]" 1
680 1 55 ARG HG2 1 59 PHE QE 5.500 . 6.500 2.782 1.787 3.820 0.013 18 0 "[ . 1 . 2]" 1
681 1 55 ARG HG3 1 59 PHE QE 5.500 . 6.500 3.399 1.969 4.566 . 0 0 "[ . 1 . 2]" 1
682 1 56 GLU HA 1 58 LYS H 4.000 . 5.000 4.079 3.554 5.310 0.310 18 0 "[ . 1 . 2]" 1
683 1 57 GLY H 1 59 PHE H 5.000 . 6.000 4.214 3.891 5.050 . 0 0 "[ . 1 . 2]" 1
684 1 58 LYS H 1 60 ASN H 5.000 . 6.000 6.061 5.909 6.135 0.135 11 0 "[ . 1 . 2]" 1
685 1 59 PHE QD 1 61 ILE MD 6.000 . 7.000 3.415 1.777 4.321 0.023 5 0 "[ . 1 . 2]" 1
686 1 59 PHE QD 1 61 ILE HG12 5.500 . 6.500 3.292 2.445 4.698 . 0 0 "[ . 1 . 2]" 1
687 1 59 PHE QD 1 61 ILE HG13 5.500 . 6.500 3.139 2.332 4.113 . 0 0 "[ . 1 . 2]" 1
688 1 59 PHE QE 1 61 ILE MD 5.000 2.300 6.000 2.375 2.230 3.012 0.070 13 0 "[ . 1 . 2]" 1
689 1 59 PHE QE 1 61 ILE HG12 5.500 . 6.500 2.921 2.084 4.402 . 0 0 "[ . 1 . 2]" 1
690 1 59 PHE QE 1 61 ILE HG13 5.500 . 6.500 3.160 2.681 4.296 . 0 0 "[ . 1 . 2]" 1
691 1 61 ILE MD 1 63 TYR QE 6.000 . 7.000 4.215 3.245 5.358 . 0 0 "[ . 1 . 2]" 1
692 1 61 ILE MG 1 63 TYR HA 5.500 . 6.500 3.920 3.697 4.214 . 0 0 "[ . 1 . 2]" 1
693 1 61 ILE MG 1 63 TYR QE 6.000 . 7.000 2.748 2.109 3.390 . 0 0 "[ . 1 . 2]" 1
694 1 62 TYR QD 1 64 ALA HA 5.500 . 6.500 3.939 3.124 4.522 . 0 0 "[ . 1 . 2]" 1
695 1 62 TYR QD 1 64 ALA MB 6.000 . 7.000 3.305 2.302 4.070 . 0 0 "[ . 1 . 2]" 1
696 1 62 TYR QE 1 64 ALA HA 5.000 . 6.000 2.754 1.785 3.581 0.015 17 0 "[ . 1 . 2]" 1
697 1 62 TYR QE 1 64 ALA MB 6.000 . 7.000 2.645 1.675 3.634 0.125 11 0 "[ . 1 . 2]" 1
698 1 63 TYR HB2 1 65 ARG H 4.000 . 5.000 4.655 3.941 5.077 0.077 4 0 "[ . 1 . 2]" 1
699 1 64 ALA MB 1 66 LEU HA 5.500 . 6.500 4.971 4.548 5.522 . 0 0 "[ . 1 . 2]" 1
700 1 64 ALA MB 1 66 LEU MD1 6.000 . 7.000 4.068 2.978 5.108 . 0 0 "[ . 1 . 2]" 1
701 1 65 ARG HA 1 67 GLU H 4.000 . 5.000 3.489 3.241 3.685 . 0 0 "[ . 1 . 2]" 1
702 1 65 ARG HB3 1 67 GLU H 3.500 . 4.000 4.064 3.948 4.170 0.170 11 0 "[ . 1 . 2]" 1
703 1 65 ARG HB2 1 68 GLU H 4.000 . 5.000 3.989 3.592 4.596 . 0 0 "[ . 1 . 2]" 1
704 1 65 ARG HG2 1 68 GLU H 4.000 . 5.000 4.803 3.937 5.077 0.077 8 0 "[ . 1 . 2]" 1
705 1 65 ARG HG3 1 68 GLU HB3 4.000 . 5.000 4.800 3.975 5.093 0.093 12 0 "[ . 1 . 2]" 1
706 1 66 LEU HA 1 71 ASN HB2 4.000 . 5.000 2.880 2.117 4.886 . 0 0 "[ . 1 . 2]" 1
707 1 66 LEU HA 1 71 ASN HB3 4.000 . 5.000 3.503 2.993 5.050 0.050 16 0 "[ . 1 . 2]" 1
708 1 66 LEU MD1 1 71 ASN HB3 5.500 . 6.500 3.433 2.309 4.925 . 0 0 "[ . 1 . 2]" 1
709 1 68 GLU HB2 1 70 LYS HG2 4.000 . 5.000 3.737 2.984 5.004 0.004 8 0 "[ . 1 . 2]" 1
710 1 68 GLU HB2 1 70 LYS HG3 5.000 . 6.000 3.904 1.940 5.255 . 0 0 "[ . 1 . 2]" 1
711 1 68 GLU HB3 1 70 LYS HG3 5.000 . 6.000 4.033 1.847 5.645 . 0 0 "[ . 1 . 2]" 1
712 1 68 GLU HB2 1 71 ASN HD22 4.000 . 5.000 4.084 3.159 5.242 0.242 8 0 "[ . 1 . 2]" 1
713 1 68 GLU HB3 1 71 ASN H 4.000 . 5.000 4.136 3.174 4.992 . 0 0 "[ . 1 . 2]" 1
714 1 68 GLU H 1 71 ASN HD22 4.000 . 5.000 4.861 3.428 5.179 0.179 13 0 "[ . 1 . 2]" 1
715 1 69 GLU HA 1 71 ASN H 4.000 . 5.000 3.761 3.223 4.159 . 0 0 "[ . 1 . 2]" 1
716 1 69 GLU HA 1 72 ILE HB 4.000 . 5.000 3.804 2.901 4.924 . 0 0 "[ . 1 . 2]" 1
717 1 69 GLU HA 1 72 ILE MD 5.000 . 6.000 3.009 1.737 3.904 0.063 6 0 "[ . 1 . 2]" 1
718 1 69 GLU HA 1 72 ILE HG12 3.500 . 4.000 2.935 1.855 3.996 . 0 0 "[ . 1 . 2]" 1
719 1 69 GLU HA 1 72 ILE HG13 3.500 . 4.000 2.796 2.234 4.221 0.221 6 0 "[ . 1 . 2]" 1
720 1 69 GLU HA 1 72 ILE MG 5.500 . 6.500 4.638 4.038 5.483 . 0 0 "[ . 1 . 2]" 1
721 1 69 GLU HA 1 72 ILE H 3.500 . 4.000 3.464 3.108 3.788 . 0 0 "[ . 1 . 2]" 1
722 1 70 LYS HA 1 73 ASP HB3 5.000 . 6.000 4.381 3.289 6.022 0.022 8 0 "[ . 1 . 2]" 1
723 1 71 ASN HA 1 73 ASP H 4.000 . 5.000 4.290 3.890 4.642 . 0 0 "[ . 1 . 2]" 1
724 1 71 ASN HA 1 74 LEU MD1 5.500 . 6.500 4.144 3.723 4.597 . 0 0 "[ . 1 . 2]" 1
725 1 71 ASN HA 1 74 LEU MD2 5.500 . 6.500 3.956 2.814 4.756 . 0 0 "[ . 1 . 2]" 1
726 1 71 ASN HA 1 74 LEU HG 5.000 . 6.000 3.589 3.214 4.103 . 0 0 "[ . 1 . 2]" 1
727 1 71 ASN HA 1 74 LEU H 4.000 . 5.000 2.891 2.322 3.263 . 0 0 "[ . 1 . 2]" 1
728 1 71 ASN HB3 1 74 LEU MD1 5.500 . 6.500 4.943 4.007 6.113 . 0 0 "[ . 1 . 2]" 1
729 1 71 ASN HB3 1 74 LEU MD2 5.500 . 6.500 5.714 4.813 6.550 0.050 4 0 "[ . 1 . 2]" 1
730 1 72 ILE HA 1 75 ALA H 4.000 . 5.000 3.613 3.248 4.081 . 0 0 "[ . 1 . 2]" 1
731 1 72 ILE HA 1 76 TYR H 4.000 . 5.000 4.342 3.961 4.609 . 0 0 "[ . 1 . 2]" 1
732 1 72 ILE MG 1 76 TYR HB2 5.500 . 6.500 4.411 3.558 5.113 . 0 0 "[ . 1 . 2]" 1
733 1 72 ILE MG 1 76 TYR QD 6.000 . 7.000 4.158 2.738 5.574 . 0 0 "[ . 1 . 2]" 1
734 1 72 ILE MG 1 76 TYR QE 6.000 . 7.000 4.607 1.901 7.037 0.037 19 0 "[ . 1 . 2]" 1
735 1 73 ASP H 1 75 ALA MB 5.500 . 6.500 4.824 4.584 5.163 . 0 0 "[ . 1 . 2]" 1
736 1 73 ASP HA 1 76 TYR QD 5.500 . 6.500 3.734 2.130 5.177 . 0 0 "[ . 1 . 2]" 1
737 1 73 ASP HA 1 76 TYR H 3.500 . 4.000 3.593 3.243 3.921 . 0 0 "[ . 1 . 2]" 1
738 1 73 ASP H 1 76 TYR H 4.000 . 5.000 4.948 4.687 5.080 0.080 15 0 "[ . 1 . 2]" 1
739 1 74 LEU H 1 76 TYR H 4.000 . 5.000 4.436 4.198 4.688 . 0 0 "[ . 1 . 2]" 1
740 1 74 LEU HA 1 77 LYS HB2 4.000 . 5.000 3.068 2.439 3.775 . 0 0 "[ . 1 . 2]" 1
741 1 74 LEU HA 1 77 LYS HB3 3.500 . 4.000 3.038 2.330 4.077 0.077 5 0 "[ . 1 . 2]" 1
742 1 74 LEU HA 1 77 LYS HD2 5.000 . 6.000 3.576 2.296 4.978 . 0 0 "[ . 1 . 2]" 1
743 1 74 LEU HA 1 77 LYS HD3 5.000 . 6.000 4.599 3.307 5.778 . 0 0 "[ . 1 . 2]" 1
744 1 74 LEU HA 1 77 LYS H 3.500 . 4.000 3.585 3.380 4.008 0.008 15 0 "[ . 1 . 2]" 1
745 1 74 LEU MD1 1 77 LYS HB2 5.500 . 6.500 4.331 3.184 5.295 . 0 0 "[ . 1 . 2]" 1
746 1 74 LEU MD1 1 77 LYS HB3 5.500 . 6.500 3.572 3.028 4.573 . 0 0 "[ . 1 . 2]" 1
747 1 74 LEU MD1 1 77 LYS HD2 5.500 . 6.500 4.086 2.483 5.911 . 0 0 "[ . 1 . 2]" 1
748 1 74 LEU MD1 1 77 LYS H 5.500 . 6.500 4.679 4.470 5.049 . 0 0 "[ . 1 . 2]" 1
749 1 74 LEU MD2 1 77 LYS HB2 4.000 . 5.000 3.948 2.875 4.661 . 0 0 "[ . 1 . 2]" 1
750 1 74 LEU MD2 1 77 LYS HD2 3.500 . 4.000 3.284 2.314 4.065 0.065 8 0 "[ . 1 . 2]" 1
751 1 74 LEU MD2 1 77 LYS H 5.500 . 6.500 4.893 4.455 5.349 . 0 0 "[ . 1 . 2]" 1
752 1 74 LEU MD1 1 78 TYR QD 6.000 . 7.000 2.351 1.805 3.277 . 0 0 "[ . 1 . 2]" 1
753 1 74 LEU MD2 1 78 TYR QD 6.000 . 7.000 3.854 2.476 5.495 . 0 0 "[ . 1 . 2]" 1
754 1 74 LEU MD2 1 78 TYR QE 5.000 2.300 6.000 3.061 2.244 4.909 0.056 19 0 "[ . 1 . 2]" 1
755 1 74 LEU MD2 1 78 TYR H 5.500 . 6.500 5.573 4.483 6.414 . 0 0 "[ . 1 . 2]" 1
756 1 74 LEU HG 1 78 TYR QD 5.500 . 6.500 5.091 4.665 5.859 . 0 0 "[ . 1 . 2]" 1
757 1 75 ALA H 1 77 LYS H 4.000 . 5.000 4.070 3.944 4.152 . 0 0 "[ . 1 . 2]" 1
758 1 75 ALA HA 1 80 ALA MB 4.000 . 5.000 2.397 1.867 3.425 . 0 0 "[ . 1 . 2]" 1
759 1 75 ALA HA 1 80 ALA H 3.500 . 4.000 3.579 3.297 3.906 . 0 0 "[ . 1 . 2]" 1
760 1 75 ALA MB 1 80 ALA MB 5.000 2.300 6.000 2.441 2.116 3.997 0.184 19 0 "[ . 1 . 2]" 1
761 1 75 ALA MB 1 80 ALA H 5.500 . 6.500 3.642 3.267 3.969 . 0 0 "[ . 1 . 2]" 1
762 1 76 TYR HA 1 78 TYR H 5.000 . 6.000 3.781 3.538 4.127 . 0 0 "[ . 1 . 2]" 1
763 1 76 TYR HA 1 79 ASP H 2.500 . 3.000 3.099 2.924 3.170 0.170 3 0 "[ . 1 . 2]" 1
764 1 76 TYR HA 1 80 ALA H 3.000 . 3.500 3.434 3.156 3.561 0.061 5 0 "[ . 1 . 2]" 1
765 1 78 TYR HB3 1 80 ALA H 4.000 . 5.000 4.429 4.058 4.847 . 0 0 "[ . 1 . 2]" 1
766 1 80 ALA HA 1 85 THR HB 4.000 . 5.000 4.092 2.853 5.040 0.040 18 0 "[ . 1 . 2]" 1
767 1 80 ALA HA 1 85 THR MG 5.000 . 6.000 2.610 1.891 3.650 . 0 0 "[ . 1 . 2]" 1
768 1 80 ALA MB 1 85 THR HB 5.000 . 6.000 3.280 2.165 4.536 . 0 0 "[ . 1 . 2]" 1
769 1 80 ALA MB 1 85 THR MG 6.000 . 7.000 2.438 1.787 3.603 0.013 15 0 "[ . 1 . 2]" 1
770 1 80 ALA H 1 85 THR MG 5.500 . 6.500 4.633 3.502 6.019 . 0 0 "[ . 1 . 2]" 1
771 1 81 ASN HD22 1 85 THR MG 5.500 . 6.500 6.158 3.823 6.595 0.095 13 0 "[ . 1 . 2]" 1
772 1 83 VAL HA 1 85 THR H 4.000 . 5.000 2.645 2.139 3.200 . 0 0 "[ . 1 . 2]" 1
773 1 83 VAL MG1 1 85 THR H 5.500 . 6.500 3.572 2.853 5.545 . 0 0 "[ . 1 . 2]" 1
774 1 85 THR MG 1 87 VAL HA 5.500 . 6.500 5.363 4.202 6.540 0.040 11 0 "[ . 1 . 2]" 1
775 1 86 THR HB 1 88 PHE QE 5.500 . 6.500 3.407 2.668 4.764 . 0 0 "[ . 1 . 2]" 1
776 1 86 THR MG 1 88 PHE QD 6.000 . 7.000 3.691 3.124 5.103 . 0 0 "[ . 1 . 2]" 1
777 1 86 THR MG 1 88 PHE QE 6.000 . 7.000 2.846 1.965 3.971 . 0 0 "[ . 1 . 2]" 1
778 1 87 VAL MG2 1 89 LEU HA 5.500 . 6.500 5.394 4.067 6.674 0.174 13 0 "[ . 1 . 2]" 1
779 1 87 VAL MG2 1 89 LEU MD1 6.000 . 7.000 3.173 1.826 5.168 . 0 0 "[ . 1 . 2]" 1
780 1 87 VAL MG2 1 89 LEU MD2 5.000 2.300 6.000 3.615 2.282 4.308 0.018 16 0 "[ . 1 . 2]" 1
781 1 87 VAL MG2 1 89 LEU HG 5.500 . 6.500 4.010 2.985 6.099 . 0 0 "[ . 1 . 2]" 1
782 1 89 LEU HB2 1 93 GLY HA2 5.000 . 6.000 3.477 2.544 4.367 . 0 0 "[ . 1 . 2]" 1
783 1 89 LEU HB3 1 93 GLY HA2 4.000 . 5.000 2.452 1.775 3.197 0.025 1 0 "[ . 1 . 2]" 1
784 1 89 LEU HB3 1 93 GLY HA3 4.000 . 5.000 4.030 3.340 4.793 . 0 0 "[ . 1 . 2]" 1
785 1 89 LEU MD1 1 93 GLY HA2 5.500 . 6.500 3.806 2.315 5.214 . 0 0 "[ . 1 . 2]" 1
786 1 89 LEU MD1 1 93 GLY HA3 5.500 . 6.500 4.801 2.714 6.408 . 0 0 "[ . 1 . 2]" 1
787 1 89 LEU MD2 1 93 GLY HA2 5.500 . 6.500 3.227 2.149 4.532 . 0 0 "[ . 1 . 2]" 1
788 1 89 LEU MD2 1 93 GLY HA3 5.500 . 6.500 4.054 2.515 5.604 . 0 0 "[ . 1 . 2]" 1
789 1 89 LEU MD2 1 94 ASN HA 5.500 . 6.500 3.959 3.055 6.282 . 0 0 "[ . 1 . 2]" 1
790 1 90 ASP HB2 1 92 GLU H 5.000 . 6.000 4.414 3.585 5.095 . 0 0 "[ . 1 . 2]" 1
791 1 90 ASP H 1 92 GLU H 5.000 . 6.000 4.614 4.109 4.919 . 0 0 "[ . 1 . 2]" 1
792 1 90 ASP H 1 95 LYS HA 4.000 . 5.000 4.292 3.685 4.721 . 0 0 "[ . 1 . 2]" 1
793 1 91 LYS HA 1 93 GLY H 4.000 . 5.000 3.788 3.263 4.522 . 0 0 "[ . 1 . 2]" 1
794 1 91 LYS HG2 1 93 GLY H 5.000 . 6.000 5.086 4.225 6.162 0.162 19 0 "[ . 1 . 2]" 1
795 1 92 GLU HA 1 94 ASN H 5.000 . 6.000 4.716 4.418 5.029 . 0 0 "[ . 1 . 2]" 1
796 1 92 GLU HB2 1 94 ASN HD21 4.000 . 5.000 2.802 1.723 5.065 0.077 2 0 "[ . 1 . 2]" 1
797 1 92 GLU HB2 1 94 ASN HD22 4.000 . 5.000 3.030 1.929 4.602 . 0 0 "[ . 1 . 2]" 1
798 1 92 GLU HB2 1 94 ASN H 4.000 . 5.000 3.689 2.550 5.032 0.032 1 0 "[ . 1 . 2]" 1
799 1 92 GLU H 1 94 ASN H 3.500 . 4.000 3.503 2.963 3.965 . 0 0 "[ . 1 . 2]" 1
800 1 95 LYS HA 1 97 TYR H 4.000 . 5.000 4.004 3.682 4.531 . 0 0 "[ . 1 . 2]" 1
801 1 95 LYS HD2 1 98 VAL MG1 5.000 . 6.000 4.534 2.129 6.048 0.048 5 0 "[ . 1 . 2]" 1
802 1 95 LYS HD3 1 98 VAL MG1 5.000 . 6.000 4.497 2.414 6.048 0.048 4 0 "[ . 1 . 2]" 1
803 1 95 LYS HE2 1 98 VAL MG1 5.500 . 6.500 4.201 2.422 6.138 . 0 0 "[ . 1 . 2]" 1
804 1 95 LYS HE3 1 98 VAL MG1 5.500 . 6.500 4.310 2.532 6.260 . 0 0 "[ . 1 . 2]" 1
805 1 95 LYS HE3 1 98 VAL MG2 5.500 . 6.500 5.495 2.658 6.558 0.058 17 0 "[ . 1 . 2]" 1
806 1 97 TYR QE 1 99 HIS HA 5.500 . 6.500 4.113 3.737 4.648 . 0 0 "[ . 1 . 2]" 1
807 1 97 TYR QE 1 99 HIS HB2 5.500 . 6.500 2.075 1.764 2.449 0.036 14 0 "[ . 1 . 2]" 1
808 1 97 TYR QE 1 99 HIS HB3 5.000 . 6.000 3.367 2.900 3.949 . 0 0 "[ . 1 . 2]" 1
809 1 98 VAL MG2 1 100 GLN HG2 5.500 . 6.500 5.428 3.397 6.576 0.076 18 0 "[ . 1 . 2]" 1
810 1 99 HIS HB3 1 103 MET ME 5.500 . 6.500 3.497 2.964 4.747 . 0 0 "[ . 1 . 2]" 1
811 1 99 HIS HD2 1 103 MET ME 5.500 . 6.500 3.701 2.797 4.688 . 0 0 "[ . 1 . 2]" 1
812 1 99 HIS HD2 1 103 MET HG2 4.000 . 5.000 3.694 2.958 4.758 . 0 0 "[ . 1 . 2]" 1
813 1 99 HIS HD2 1 103 MET HG3 4.000 . 5.000 3.956 2.730 5.036 0.036 14 0 "[ . 1 . 2]" 1
814 1 102 LEU MD1 1 104 ARG HA 5.500 . 6.500 4.812 3.715 6.530 0.030 6 0 "[ . 1 . 2]" 1
815 1 102 LEU MD1 1 104 ARG HG2 5.500 . 6.500 5.733 3.877 6.554 0.054 13 0 "[ . 1 . 2]" 1
816 1 102 LEU MD2 1 104 ARG HA 5.500 . 6.500 5.256 4.082 5.745 . 0 0 "[ . 1 . 2]" 1
817 1 102 LEU MD2 1 104 ARG HD3 5.500 . 6.500 4.365 3.150 5.921 . 0 0 "[ . 1 . 2]" 1
818 1 102 LEU MD2 1 104 ARG HG2 5.500 . 6.500 5.161 4.108 6.541 0.041 13 0 "[ . 1 . 2]" 1
819 1 103 MET HB2 1 108 ILE MD 5.000 . 6.000 3.920 2.972 5.273 . 0 0 "[ . 1 . 2]" 1
820 1 103 MET HB3 1 108 ILE MD 5.500 . 6.500 4.699 3.605 6.044 . 0 0 "[ . 1 . 2]" 1
821 1 103 MET ME 1 108 ILE HA 4.000 . 5.000 3.054 2.072 4.224 . 0 0 "[ . 1 . 2]" 1
822 1 103 MET ME 1 108 ILE MD 6.000 . 7.000 3.878 3.128 5.147 . 0 0 "[ . 1 . 2]" 1
823 1 103 MET ME 1 108 ILE HG13 5.000 . 6.000 3.314 2.429 4.318 . 0 0 "[ . 1 . 2]" 1
824 1 103 MET ME 1 108 ILE MG 6.000 . 7.000 3.743 2.575 5.243 . 0 0 "[ . 1 . 2]" 1
825 1 104 ARG HA 1 108 ILE MD 5.500 . 6.500 3.891 3.467 4.377 . 0 0 "[ . 1 . 2]" 1
826 1 105 LYS HA 1 108 ILE HB 4.000 . 5.000 2.968 2.674 3.257 . 0 0 "[ . 1 . 2]" 1
827 1 105 LYS HA 1 108 ILE MD 5.000 . 6.000 2.177 1.849 2.575 . 0 0 "[ . 1 . 2]" 1
828 1 105 LYS HA 1 108 ILE HG12 4.000 . 5.000 4.652 4.288 5.023 0.023 10 0 "[ . 1 . 2]" 1
829 1 105 LYS HA 1 108 ILE MG 5.500 . 6.500 4.232 3.975 4.470 . 0 0 "[ . 1 . 2]" 1
830 1 106 ASN HA 1 109 GLU HB2 3.500 . 4.000 2.327 1.936 3.435 . 0 0 "[ . 1 . 2]" 1
831 1 106 ASN HA 1 109 GLU HB3 3.500 . 4.000 3.388 2.745 3.719 . 0 0 "[ . 1 . 2]" 1
832 1 106 ASN HA 1 109 GLU HG2 4.000 . 5.000 4.029 2.561 5.100 0.100 1 0 "[ . 1 . 2]" 1
833 1 106 ASN HA 1 109 GLU HG3 5.000 . 6.000 3.395 2.298 5.568 . 0 0 "[ . 1 . 2]" 1
834 1 106 ASN HA 1 109 GLU H 4.000 . 5.000 3.337 2.970 3.836 . 0 0 "[ . 1 . 2]" 1
835 1 107 ASN H 1 109 GLU H 5.000 . 6.000 3.927 3.745 4.102 . 0 0 "[ . 1 . 2]" 1
836 1 107 ASN HA 1 110 THR HA 5.000 . 6.000 5.608 5.125 6.020 0.020 6 0 "[ . 1 . 2]" 1
837 1 107 ASN HA 1 110 THR HB 3.000 . 3.500 3.117 2.846 3.435 . 0 0 "[ . 1 . 2]" 1
838 1 107 ASN HA 1 110 THR MG 5.500 . 6.500 4.403 4.071 4.810 . 0 0 "[ . 1 . 2]" 1
839 1 107 ASN HA 1 111 ILE MD 5.500 . 6.500 4.624 3.302 5.231 . 0 0 "[ . 1 . 2]" 1
840 1 108 ILE HB 1 110 THR H 4.000 . 5.000 5.016 4.892 5.141 0.141 20 0 "[ . 1 . 2]" 1
841 1 108 ILE HA 1 111 ILE HB 5.000 . 6.000 2.853 2.559 3.345 . 0 0 "[ . 1 . 2]" 1
842 1 108 ILE HA 1 111 ILE MD 5.500 . 6.500 4.344 2.635 4.942 . 0 0 "[ . 1 . 2]" 1
843 1 108 ILE HA 1 111 ILE H 5.000 . 6.000 3.534 3.339 3.712 . 0 0 "[ . 1 . 2]" 1
844 1 108 ILE MG 1 112 LEU MD1 6.000 . 7.000 2.357 2.076 3.404 . 0 0 "[ . 1 . 2]" 1
845 1 108 ILE MG 1 112 LEU HG 5.500 . 6.500 2.548 2.176 4.275 . 0 0 "[ . 1 . 2]" 1
846 1 109 GLU HA 1 112 LEU HB2 4.000 . 5.000 3.052 2.203 3.617 . 0 0 "[ . 1 . 2]" 1
847 1 109 GLU HA 1 112 LEU HB3 5.000 . 6.000 4.567 3.747 5.219 . 0 0 "[ . 1 . 2]" 1
848 1 109 GLU HA 1 112 LEU MD1 5.500 . 6.500 2.621 1.988 4.633 . 0 0 "[ . 1 . 2]" 1
849 1 109 GLU HA 1 112 LEU MD2 5.500 . 6.500 4.464 1.823 5.295 . 0 0 "[ . 1 . 2]" 1
850 1 109 GLU HA 1 112 LEU HG 5.000 . 6.000 3.271 2.311 4.194 . 0 0 "[ . 1 . 2]" 1
851 1 110 THR H 1 112 LEU H 5.000 . 6.000 4.199 4.038 4.328 . 0 0 "[ . 1 . 2]" 1
852 1 110 THR HA 1 113 ASN HB2 3.500 . 4.000 2.925 2.457 3.682 . 0 0 "[ . 1 . 2]" 1
853 1 110 THR HA 1 113 ASN HB3 3.500 . 4.000 3.238 2.377 4.123 0.123 3 0 "[ . 1 . 2]" 1
854 1 110 THR HA 1 113 ASN HD21 4.000 . 5.000 3.662 2.140 5.027 0.027 9 0 "[ . 1 . 2]" 1
855 1 110 THR HA 1 113 ASN HD22 4.000 . 5.000 4.708 3.161 5.130 0.130 2 0 "[ . 1 . 2]" 1
856 1 110 THR HA 1 113 ASN H 4.000 . 5.000 3.447 3.286 3.720 . 0 0 "[ . 1 . 2]" 1
857 1 110 THR MG 1 113 ASN HB3 5.500 . 6.500 3.930 3.097 4.658 . 0 0 "[ . 1 . 2]" 1
858 1 110 THR MG 1 114 SER H 5.500 . 6.500 4.262 3.943 4.517 . 0 0 "[ . 1 . 2]" 1
859 1 111 ILE HA 1 113 ASN H 4.000 . 5.000 4.280 4.058 4.428 . 0 0 "[ . 1 . 2]" 1
860 1 111 ILE H 1 113 ASN H 4.000 . 5.000 4.009 3.769 4.152 . 0 0 "[ . 1 . 2]" 1
861 1 111 ILE HA 1 114 SER HB3 4.000 . 5.000 4.079 2.351 5.049 0.049 2 0 "[ . 1 . 2]" 1
862 1 111 ILE HA 1 114 SER H 4.000 . 5.000 3.264 2.922 3.545 . 0 0 "[ . 1 . 2]" 1
863 1 111 ILE MG 1 115 LEU HB2 5.500 . 6.500 3.514 2.622 5.049 . 0 0 "[ . 1 . 2]" 1
864 1 111 ILE MG 1 115 LEU MD2 6.000 . 7.000 3.298 2.434 4.027 . 0 0 "[ . 1 . 2]" 1
865 1 111 ILE MG 1 115 LEU HG 5.500 . 6.500 4.717 2.401 6.012 . 0 0 "[ . 1 . 2]" 1
866 1 112 LEU HA 1 115 LEU HB2 3.500 . 4.000 2.908 2.183 3.985 . 0 0 "[ . 1 . 2]" 1
867 1 112 LEU HA 1 115 LEU HB3 4.000 . 5.000 2.840 1.995 4.528 . 0 0 "[ . 1 . 2]" 1
868 1 112 LEU HA 1 115 LEU MD2 5.500 . 6.500 3.186 2.478 4.284 . 0 0 "[ . 1 . 2]" 1
869 1 112 LEU MD2 1 115 LEU HB2 5.500 . 6.500 3.965 3.407 5.403 . 0 0 "[ . 1 . 2]" 1
870 1 112 LEU MD2 1 115 LEU HB3 5.500 . 6.500 4.014 3.261 6.526 0.026 6 0 "[ . 1 . 2]" 1
871 1 112 LEU MD2 1 115 LEU MD2 6.000 . 7.000 3.044 2.126 5.522 . 0 0 "[ . 1 . 2]" 1
872 1 112 LEU HA 1 117 VAL MG2 5.500 . 6.500 2.936 2.429 3.197 . 0 0 "[ . 1 . 2]" 1
873 1 112 LEU HB2 1 117 VAL HB 4.000 . 5.000 5.058 4.459 5.215 0.215 6 0 "[ . 1 . 2]" 1
874 1 112 LEU HB3 1 117 VAL HB 4.000 . 5.000 4.001 2.993 4.840 . 0 0 "[ . 1 . 2]" 1
875 1 112 LEU MD1 1 117 VAL MG1 6.000 . 7.000 3.743 2.579 4.402 . 0 0 "[ . 1 . 2]" 1
876 1 112 LEU MD2 1 117 VAL HB 5.500 . 6.500 5.275 4.088 6.381 . 0 0 "[ . 1 . 2]" 1
877 1 112 LEU MD2 1 117 VAL MG1 6.000 . 7.000 4.300 2.938 5.280 . 0 0 "[ . 1 . 2]" 1
878 1 112 LEU MD2 1 117 VAL MG2 6.000 . 7.000 2.747 1.867 3.985 . 0 0 "[ . 1 . 2]" 1
879 1 113 ASN H 1 115 LEU H 5.000 . 6.000 3.914 3.725 4.111 . 0 0 "[ . 1 . 2]" 1
880 1 114 SER HA 1 116 GLY H 5.000 . 6.000 5.233 4.652 5.809 . 0 0 "[ . 1 . 2]" 1
881 1 114 SER HA 1 117 VAL MG2 5.500 . 6.500 6.502 6.180 6.593 0.093 5 0 "[ . 1 . 2]" 1
882 1 115 LEU HB2 1 117 VAL MG2 5.500 . 6.500 4.009 2.124 6.035 . 0 0 "[ . 1 . 2]" 1
883 1 115 LEU HB3 1 117 VAL MG2 5.500 . 6.500 3.321 2.114 4.542 . 0 0 "[ . 1 . 2]" 1
884 1 115 LEU HG 1 117 VAL H 5.000 . 6.000 3.983 2.561 6.011 0.011 16 0 "[ . 1 . 2]" 1
885 1 4 GLU QG 1 8 GLN HE21 3.500 . 4.000 3.410 2.264 4.089 0.089 5 0 "[ . 1 . 2]" 1
886 1 4 GLU QG 1 8 GLN HE22 4.000 . 5.000 4.133 2.207 5.097 0.097 11 0 "[ . 1 . 2]" 1
887 1 13 SER HB2 1 16 VAL QG 4.000 . 5.000 2.751 1.680 3.918 0.120 19 0 "[ . 1 . 2]" 1
888 1 13 SER HB3 1 16 VAL QG 4.000 . 5.000 3.096 1.637 4.456 0.163 3 0 "[ . 1 . 2]" 1
889 1 18 GLU HA 1 22 GLU QG 4.000 . 5.000 4.844 4.106 5.278 0.278 8 0 "[ . 1 . 2]" 1
890 1 18 GLU QG 1 22 GLU H 4.000 . 5.000 5.089 4.444 5.331 0.331 5 0 "[ . 1 . 2]" 1
891 1 19 ASN HD21 1 21 GLU QG 4.000 . 5.000 3.995 2.659 5.014 0.014 9 0 "[ . 1 . 2]" 1
892 1 19 ASN HD22 1 21 GLU QG 4.000 . 5.000 4.710 3.806 5.147 0.147 3 0 "[ . 1 . 2]" 1
893 1 24 LYS QB 1 27 ILE MD 4.000 . 5.000 3.558 1.713 5.122 0.122 12 0 "[ . 1 . 2]" 1
894 1 24 LYS QB 1 27 ILE MG 5.500 . 6.500 5.366 4.251 6.605 0.105 12 0 "[ . 1 . 2]" 1
895 1 24 LYS QE 1 27 ILE MD 5.500 . 6.500 5.190 2.246 6.585 0.085 2 0 "[ . 1 . 2]" 1
896 1 24 LYS QG 1 27 ILE MD 5.500 . 6.500 4.600 3.710 6.515 0.015 6 0 "[ . 1 . 2]" 1
897 1 25 GLU QB 1 27 ILE H 4.000 . 5.000 3.899 2.592 4.897 . 0 0 "[ . 1 . 2]" 1
898 1 32 MET ME 1 34 LYS QE 5.500 . 6.500 4.811 3.367 6.187 . 0 0 "[ . 1 . 2]" 1
899 1 38 CYS HB2 1 41 CYS QB 4.000 . 5.000 3.800 2.548 4.799 . 0 0 "[ . 1 . 2]" 1
900 1 38 CYS HB3 1 41 CYS QB 5.000 . 6.000 4.690 3.784 5.880 . 0 0 "[ . 1 . 2]" 1
901 1 39 PRO HA 1 41 CYS QB 4.000 . 5.000 4.618 3.914 5.080 0.080 16 0 "[ . 1 . 2]" 1
902 1 39 PRO HB2 1 43 GLU QB 4.000 . 5.000 4.661 4.198 5.092 0.092 6 0 "[ . 1 . 2]" 1
903 1 40 TYR HA 1 43 GLU QB 3.500 . 4.000 2.586 2.267 2.882 . 0 0 "[ . 1 . 2]" 1
904 1 40 TYR QB 1 43 GLU QB 5.000 . 6.000 4.005 3.516 4.384 . 0 0 "[ . 1 . 2]" 1
905 1 40 TYR QD 1 43 GLU QB 5.500 . 6.500 4.153 3.581 4.665 . 0 0 "[ . 1 . 2]" 1
906 1 42 VAL MG1 1 46 LYS QE 5.500 . 6.500 4.274 2.309 5.666 . 0 0 "[ . 1 . 2]" 1
907 1 43 GLU HG2 1 47 GLU QG 4.000 . 5.000 4.772 3.354 5.257 0.257 5 0 "[ . 1 . 2]" 1
908 1 43 GLU HG3 1 47 GLU QG 5.000 . 6.000 3.995 3.165 6.063 0.063 6 0 "[ . 1 . 2]" 1
909 1 44 MET HA 1 47 GLU QG 3.500 . 4.000 2.714 2.215 3.137 . 0 0 "[ . 1 . 2]" 1
910 1 45 GLN QB 1 48 LEU MD1 5.500 . 6.500 4.032 2.970 4.784 . 0 0 "[ . 1 . 2]" 1
911 1 47 GLU HA 1 50 TYR QB 4.000 . 5.000 2.928 2.447 3.382 . 0 0 "[ . 1 . 2]" 1
912 1 50 TYR HA 1 53 LYS QB 4.000 . 5.000 2.748 2.078 3.847 . 0 0 "[ . 1 . 2]" 1
913 1 50 TYR HA 1 53 LYS QD 4.000 . 5.000 3.948 2.588 5.090 0.090 16 0 "[ . 1 . 2]" 1
914 1 50 TYR HA 1 53 LYS QE 5.000 . 6.000 4.455 1.735 6.070 0.070 3 0 "[ . 1 . 2]" 1
915 1 50 TYR HA 1 53 LYS QG 4.000 . 5.000 3.784 2.091 5.016 0.016 14 0 "[ . 1 . 2]" 1
916 1 50 TYR QD 1 53 LYS QB 5.500 . 6.500 3.915 3.314 4.964 . 0 0 "[ . 1 . 2]" 1
917 1 50 TYR QD 1 53 LYS QD 5.500 . 6.500 4.298 2.630 5.920 . 0 0 "[ . 1 . 2]" 1
918 1 50 TYR QD 1 53 LYS QE 5.500 . 6.500 4.585 2.303 5.949 . 0 0 "[ . 1 . 2]" 1
919 1 50 TYR QE 1 53 LYS QE 5.500 . 6.500 5.625 3.869 6.518 0.018 19 0 "[ . 1 . 2]" 1
920 1 50 TYR HA 1 53 LYS HB2 3.500 . 4.000 3.089 2.588 4.004 0.004 6 0 "[ . 1 . 2]" 1
921 1 55 ARG HA 1 58 LYS QG 4.000 . 5.000 3.647 1.895 5.103 0.103 7 0 "[ . 1 . 2]" 1
922 1 65 ARG QD 1 68 GLU QG 4.000 . 5.000 2.931 1.959 3.898 . 0 0 "[ . 1 . 2]" 1
923 1 68 GLU HB2 1 70 LYS QE 4.000 . 5.000 3.686 1.851 4.457 . 0 0 "[ . 1 . 2]" 1
924 1 68 GLU HB3 1 70 LYS QE 4.000 . 5.000 3.872 1.820 4.858 . 0 0 "[ . 1 . 2]" 1
925 1 69 GLU QG 1 72 ILE MD 5.000 . 6.000 4.559 2.215 6.017 0.017 19 0 "[ . 1 . 2]" 1
926 1 69 GLU QG 1 72 ILE MG 5.500 . 6.500 5.742 4.371 6.625 0.125 1 0 "[ . 1 . 2]" 1
927 1 71 ASN HA 1 74 LEU QB 3.000 . 3.500 1.889 1.637 2.250 0.163 1 0 "[ . 1 . 2]" 1
928 1 71 ASN HB2 1 74 LEU QB 5.000 . 6.000 4.266 3.170 4.695 . 0 0 "[ . 1 . 2]" 1
929 1 71 ASN HB3 1 74 LEU QB 4.000 . 5.000 3.438 2.728 4.090 . 0 0 "[ . 1 . 2]" 1
930 1 72 ILE MG 1 76 TYR QB 5.500 . 6.500 4.181 3.411 4.868 . 0 0 "[ . 1 . 2]" 1
931 1 73 ASP HA 1 76 TYR QB 3.000 . 3.500 3.077 2.584 3.521 0.021 9 0 "[ . 1 . 2]" 1
932 1 74 LEU HA 1 78 TYR QD 5.500 . 6.500 3.665 2.987 4.744 . 0 0 "[ . 1 . 2]" 1
933 1 92 GLU QG 1 94 ASN HD21 3.500 . 4.000 3.181 1.930 4.106 0.106 11 0 "[ . 1 . 2]" 1
934 1 92 GLU QG 1 94 ASN HD22 3.500 . 4.000 3.275 2.096 4.048 0.048 8 0 "[ . 1 . 2]" 1
935 1 92 GLU QG 1 94 ASN H 4.000 . 5.000 4.364 2.931 5.055 0.055 17 0 "[ . 1 . 2]" 1
936 1 102 LEU MD1 1 104 ARG QD 5.500 . 6.500 4.285 3.339 5.927 . 0 0 "[ . 1 . 2]" 1
937 1 103 MET HA 1 107 ASN QB 4.000 . 5.000 3.708 3.379 4.189 . 0 0 "[ . 1 . 2]" 1
938 1 103 MET HB2 1 107 ASN QB 3.500 . 4.000 3.012 1.849 4.020 0.020 3 0 "[ . 1 . 2]" 1
939 1 103 MET ME 1 107 ASN QB 5.000 . 6.000 2.967 1.760 4.272 0.040 4 0 "[ . 1 . 2]" 1
940 1 103 MET HG2 1 107 ASN QB 5.000 . 6.000 3.961 2.982 5.031 . 0 0 "[ . 1 . 2]" 1
941 1 103 MET HG3 1 107 ASN QB 4.000 . 5.000 3.941 2.630 4.861 . 0 0 "[ . 1 . 2]" 1
942 1 104 ARG HB2 1 106 ASN QB 5.000 . 6.000 4.161 3.606 5.591 . 0 0 "[ . 1 . 2]" 1
943 1 104 ARG HB3 1 106 ASN QB 5.000 . 6.000 4.360 3.794 5.000 . 0 0 "[ . 1 . 2]" 1
944 1 104 ARG H 1 107 ASN QB 3.500 . 4.000 2.515 1.959 3.273 . 0 0 "[ . 1 . 2]" 1
945 1 105 LYS QG 1 108 ILE MD 5.500 . 6.500 4.326 3.483 4.926 . 0 0 "[ . 1 . 2]" 1
946 1 105 LYS QG 1 109 GLU HG3 5.000 . 6.000 3.753 2.587 5.617 . 0 0 "[ . 1 . 2]" 1
947 1 112 LEU HB3 1 117 VAL QG 5.000 . 6.000 1.822 1.678 2.200 0.122 13 0 "[ . 1 . 2]" 1
948 1 112 LEU MD1 1 117 VAL QG 5.500 . 6.500 2.775 2.418 3.192 . 0 0 "[ . 1 . 2]" 1
949 1 112 LEU MD2 1 117 VAL QG 5.500 . 6.500 2.714 1.847 3.874 . 0 0 "[ . 1 . 2]" 1
950 1 116 GLY H 1 118 LYS QG 4.000 . 5.000 4.943 4.444 5.265 0.265 7 0 "[ . 1 . 2]" 1
951 1 51 VAL HA 1 55 ARG HB3 5.000 . 6.000 5.289 4.625 6.119 0.119 6 0 "[ . 1 . 2]" 1
952 1 95 LYS HE2 1 98 VAL MG2 5.500 . 6.500 5.282 2.114 6.622 0.122 12 0 "[ . 1 . 2]" 1
953 1 71 ASN HB2 1 75 ALA H 4.000 . 5.000 4.952 3.233 5.125 0.125 8 0 "[ . 1 . 2]" 1
954 1 78 TYR HB3 1 80 ALA MB 5.000 . 6.000 3.913 3.156 4.844 . 0 0 "[ . 1 . 2]" 1
955 1 106 ASN QB 1 109 GLU HB3 4.000 . 5.000 5.093 4.722 5.183 0.183 10 0 "[ . 1 . 2]" 1
956 1 43 GLU HA 1 46 LYS HG2 5.000 . 6.000 3.944 2.630 4.812 . 0 0 "[ . 1 . 2]" 1
957 1 24 LYS HA 1 27 ILE MD 5.000 . 6.000 4.989 4.036 6.130 0.130 6 0 "[ . 1 . 2]" 1
958 1 112 LEU MD1 1 117 VAL HB 5.000 . 6.000 5.084 4.175 5.689 . 0 0 "[ . 1 . 2]" 1
959 1 12 GLN QB 1 16 VAL QG 5.000 . 6.000 4.237 1.857 5.782 . 0 0 "[ . 1 . 2]" 1
960 1 61 ILE MG 1 63 TYR QD 5.000 . 6.000 3.286 2.639 3.854 . 0 0 "[ . 1 . 2]" 1
961 1 32 MET ME 1 34 LYS HB2 3.500 . 4.000 3.472 2.060 4.085 0.085 1 0 "[ . 1 . 2]" 1
962 1 50 TYR QD 1 53 LYS QG 5.500 . 6.500 4.477 2.660 5.733 . 0 0 "[ . 1 . 2]" 1
963 1 67 GLU H 1 70 LYS QD 4.500 . 5.500 5.738 5.540 5.966 0.466 8 0 "[ . 1 . 2]" 1
964 1 71 ASN HD21 1 74 LEU QB 4.000 . 5.000 4.395 3.406 5.106 0.106 6 0 "[ . 1 . 2]" 1
965 1 52 SER HA 1 55 ARG H 3.500 . 4.000 3.185 2.928 3.517 . 0 0 "[ . 1 . 2]" 1
966 1 11 PHE HA 1 16 VAL MG2 5.000 . 6.000 5.842 5.059 6.186 0.186 3 0 "[ . 1 . 2]" 1
967 1 105 LYS HB2 1 107 ASN H 5.000 . 6.000 5.634 5.430 5.849 . 0 0 "[ . 1 . 2]" 1
968 1 44 MET HG3 1 48 LEU HG 4.000 . 5.000 3.938 2.326 5.005 0.005 6 0 "[ . 1 . 2]" 1
969 1 75 ALA HA 1 78 TYR H 4.000 . 5.000 3.757 3.621 3.954 . 0 0 "[ . 1 . 2]" 1
970 1 107 ASN HA 1 110 THR H 3.500 . 4.000 3.512 3.155 3.916 . 0 0 "[ . 1 . 2]" 1
971 1 110 THR MG 1 113 ASN HB2 5.500 . 6.500 4.091 3.302 5.001 . 0 0 "[ . 1 . 2]" 1
972 1 76 TYR H 1 78 TYR H 5.000 . 6.000 4.091 3.941 4.320 . 0 0 "[ . 1 . 2]" 1
973 1 9 ILE MG 1 17 VAL HA 5.500 . 6.500 4.941 3.067 6.563 0.063 1 0 "[ . 1 . 2]" 1
974 1 9 ILE MG 1 18 GLU H 5.500 . 6.500 4.853 2.926 6.099 . 0 0 "[ . 1 . 2]" 1
975 1 12 GLN HE22 1 45 GLN HE22 5.000 . 6.000 5.174 2.816 6.050 0.050 16 0 "[ . 1 . 2]" 1
976 1 14 ILE HB 1 52 SER HB2 4.000 . 5.000 3.687 2.349 5.096 0.096 17 0 "[ . 1 . 2]" 1
977 1 14 ILE HB 1 52 SER HB3 4.000 . 5.000 3.135 2.092 4.795 . 0 0 "[ . 1 . 2]" 1
978 1 14 ILE MD 1 52 SER HB3 5.500 . 6.500 3.687 1.983 5.082 . 0 0 "[ . 1 . 2]" 1
979 1 14 ILE MG 1 52 SER HB2 5.500 . 6.500 4.607 3.177 6.276 . 0 0 "[ . 1 . 2]" 1
980 1 14 ILE MG 1 52 SER HB3 5.000 . 6.000 3.680 1.790 6.012 0.012 16 0 "[ . 1 . 2]" 1
981 1 14 ILE MD 1 53 LYS HA 4.000 . 5.000 3.710 2.487 5.048 0.048 11 0 "[ . 1 . 2]" 1
982 1 14 ILE MG 1 56 GLU HA 4.000 . 5.000 4.108 3.258 5.023 0.023 11 0 "[ . 1 . 2]" 1
983 1 14 ILE MG 1 57 GLY H 5.500 . 6.500 3.962 3.329 4.659 . 0 0 "[ . 1 . 2]" 1
984 1 15 ASN HD21 1 57 GLY H 4.000 . 5.000 4.050 3.349 4.796 . 0 0 "[ . 1 . 2]" 1
985 1 15 ASN HD22 1 57 GLY H 4.000 . 5.000 2.844 2.108 4.498 . 0 0 "[ . 1 . 2]" 1
986 1 15 ASN HD22 1 58 LYS H 4.000 . 5.000 3.771 2.239 5.049 0.049 12 0 "[ . 1 . 2]" 1
987 1 15 ASN HD22 1 59 PHE H 4.000 . 5.000 4.325 3.064 5.084 0.084 9 0 "[ . 1 . 2]" 1
988 1 15 ASN HA 1 60 ASN HA 5.000 . 6.000 4.327 3.725 4.943 . 0 0 "[ . 1 . 2]" 1
989 1 15 ASN HA 1 61 ILE MD 5.500 . 6.500 4.900 4.079 6.496 . 0 0 "[ . 1 . 2]" 1
990 1 16 VAL HA 1 61 ILE HB 3.000 . 3.500 2.330 1.993 2.820 . 0 0 "[ . 1 . 2]" 1
991 1 16 VAL HA 1 61 ILE MD 5.500 . 6.500 3.680 2.951 5.147 . 0 0 "[ . 1 . 2]" 1
992 1 16 VAL HA 1 61 ILE MG 5.500 . 6.500 3.676 3.036 4.134 . 0 0 "[ . 1 . 2]" 1
993 1 16 VAL HA 1 61 ILE H 3.500 . 4.000 3.045 1.952 3.914 . 0 0 "[ . 1 . 2]" 1
994 1 16 VAL MG1 1 61 ILE HB 4.000 . 5.000 4.012 1.775 5.168 0.168 13 0 "[ . 1 . 2]" 1
995 1 16 VAL MG1 1 61 ILE MG 6.000 . 7.000 4.523 2.685 5.659 . 0 0 "[ . 1 . 2]" 1
996 1 16 VAL MG2 1 61 ILE HB 5.000 . 6.000 3.890 2.548 4.887 . 0 0 "[ . 1 . 2]" 1
997 1 16 VAL MG2 1 61 ILE MG 6.000 . 7.000 4.059 2.534 5.283 . 0 0 "[ . 1 . 2]" 1
998 1 16 VAL H 1 61 ILE HB 4.000 . 5.000 4.568 3.888 5.032 0.032 4 0 "[ . 1 . 2]" 1
999 1 16 VAL MG2 1 62 TYR HA 5.500 . 6.500 5.008 3.527 6.314 . 0 0 "[ . 1 . 2]" 1
1000 1 16 VAL MG1 1 63 TYR QD 6.000 . 7.000 4.341 1.763 5.270 0.037 12 0 "[ . 1 . 2]" 1
1001 1 16 VAL MG1 1 63 TYR QE 5.000 2.300 6.000 3.424 2.243 4.666 0.057 11 0 "[ . 1 . 2]" 1
1002 1 16 VAL MG2 1 63 TYR QD 6.000 . 7.000 2.845 1.906 4.406 . 0 0 "[ . 1 . 2]" 1
1003 1 16 VAL MG2 1 63 TYR QE 6.000 . 7.000 2.285 1.761 4.577 0.039 5 0 "[ . 1 . 2]" 1
1004 1 16 VAL MG2 1 63 TYR H 5.500 . 6.500 4.478 2.988 5.919 . 0 0 "[ . 1 . 2]" 1
1005 1 17 VAL HA 1 23 ALA MB 5.500 . 6.500 5.427 4.845 6.147 . 0 0 "[ . 1 . 2]" 1
1006 1 17 VAL HB 1 23 ALA HA 5.000 . 6.000 4.335 3.259 5.235 . 0 0 "[ . 1 . 2]" 1
1007 1 17 VAL MG1 1 23 ALA HA 5.000 . 6.000 2.904 1.973 4.534 . 0 0 "[ . 1 . 2]" 1
1008 1 17 VAL MG1 1 23 ALA MB 6.000 . 7.000 2.437 1.754 3.359 0.046 18 0 "[ . 1 . 2]" 1
1009 1 17 VAL MG1 1 23 ALA H 5.500 . 6.500 3.664 2.691 4.934 . 0 0 "[ . 1 . 2]" 1
1010 1 17 VAL MG2 1 23 ALA HA 4.000 . 5.000 2.714 2.189 3.302 . 0 0 "[ . 1 . 2]" 1
1011 1 17 VAL MG2 1 23 ALA H 5.500 . 6.500 4.023 2.834 5.190 . 0 0 "[ . 1 . 2]" 1
1012 1 17 VAL MG1 1 24 LYS H 5.500 . 6.500 4.540 3.349 6.337 . 0 0 "[ . 1 . 2]" 1
1013 1 17 VAL MG2 1 24 LYS H 5.000 . 6.000 4.168 3.306 4.838 . 0 0 "[ . 1 . 2]" 1
1014 1 17 VAL MG1 1 60 ASN HB3 5.500 . 6.500 3.668 2.434 5.147 . 0 0 "[ . 1 . 2]" 1
1015 1 17 VAL MG2 1 60 ASN HA 5.500 . 6.500 4.146 2.651 6.282 . 0 0 "[ . 1 . 2]" 1
1016 1 17 VAL MG2 1 61 ILE H 5.500 . 6.500 3.686 2.224 5.912 . 0 0 "[ . 1 . 2]" 1
1017 1 17 VAL H 1 61 ILE HB 4.000 . 5.000 3.478 2.959 3.790 . 0 0 "[ . 1 . 2]" 1
1018 1 17 VAL H 1 61 ILE H 3.500 . 4.000 3.667 3.221 3.920 . 0 0 "[ . 1 . 2]" 1
1019 1 17 VAL MG1 1 62 TYR HA 5.500 . 6.500 3.142 1.916 4.520 . 0 0 "[ . 1 . 2]" 1
1020 1 17 VAL MG1 1 62 TYR HB2 5.000 . 6.000 3.249 2.045 4.799 . 0 0 "[ . 1 . 2]" 1
1021 1 17 VAL MG1 1 62 TYR QD 6.000 . 7.000 3.549 2.336 5.576 . 0 0 "[ . 1 . 2]" 1
1022 1 17 VAL MG1 1 62 TYR QE 6.000 . 7.000 4.964 4.110 7.018 0.018 5 0 "[ . 1 . 2]" 1
1023 1 17 VAL MG1 1 62 TYR H 5.500 . 6.500 4.601 3.091 5.720 . 0 0 "[ . 1 . 2]" 1
1024 1 17 VAL MG1 1 63 TYR H 5.500 . 6.500 4.433 3.252 5.738 . 0 0 "[ . 1 . 2]" 1
1025 1 19 ASN HA 1 62 TYR QE 4.000 . 5.000 2.148 1.730 2.971 0.070 11 0 "[ . 1 . 2]" 1
1026 1 20 LEU MD2 1 29 THR MG 5.000 2.300 6.000 3.416 2.250 4.764 0.050 20 0 "[ . 1 . 2]" 1
1027 1 20 LEU HA 1 31 ILE MD 5.500 . 6.500 5.267 4.426 6.379 . 0 0 "[ . 1 . 2]" 1
1028 1 20 LEU MD2 1 31 ILE MD 6.000 . 7.000 2.753 2.151 3.345 . 0 0 "[ . 1 . 2]" 1
1029 1 20 LEU MD2 1 31 ILE HG12 5.500 . 6.500 4.268 3.038 5.978 . 0 0 "[ . 1 . 2]" 1
1030 1 20 LEU MD2 1 31 ILE HG13 5.500 . 6.500 4.694 3.338 5.698 . 0 0 "[ . 1 . 2]" 1
1031 1 20 LEU MD1 1 62 TYR QD 6.000 . 7.000 4.390 2.238 6.363 . 0 0 "[ . 1 . 2]" 1
1032 1 20 LEU MD1 1 62 TYR QE 6.000 . 7.000 4.078 2.914 6.066 . 0 0 "[ . 1 . 2]" 1
1033 1 20 LEU MD2 1 62 TYR HA 5.500 . 6.500 5.752 5.044 6.599 0.099 19 0 "[ . 1 . 2]" 1
1034 1 20 LEU MD2 1 62 TYR QD 6.000 . 7.000 2.968 2.299 4.406 . 0 0 "[ . 1 . 2]" 1
1035 1 20 LEU H 1 62 TYR QE 5.500 . 6.500 3.260 1.770 4.590 0.030 11 0 "[ . 1 . 2]" 1
1036 1 20 LEU MD1 1 74 LEU MD2 6.000 . 7.000 3.064 1.815 5.201 . 0 0 "[ . 1 . 2]" 1
1037 1 20 LEU MD1 1 74 LEU HG 5.500 . 6.500 4.515 2.857 6.280 . 0 0 "[ . 1 . 2]" 1
1038 1 20 LEU MD2 1 74 LEU MD2 6.000 . 7.000 3.289 1.853 5.147 . 0 0 "[ . 1 . 2]" 1
1039 1 20 LEU MD1 1 78 TYR QE 6.000 . 7.000 4.045 2.608 5.340 . 0 0 "[ . 1 . 2]" 1
1040 1 20 LEU MD2 1 89 LEU MD1 6.000 . 7.000 4.650 2.845 5.772 . 0 0 "[ . 1 . 2]" 1
1041 1 23 ALA HA 1 60 ASN HB3 5.000 . 6.000 4.499 3.025 6.048 0.048 11 0 "[ . 1 . 2]" 1
1042 1 23 ALA MB 1 60 ASN HB2 5.500 . 6.500 3.958 2.716 5.481 . 0 0 "[ . 1 . 2]" 1
1043 1 23 ALA MB 1 60 ASN HB3 5.500 . 6.500 3.711 2.818 4.888 . 0 0 "[ . 1 . 2]" 1
1044 1 24 LYS H 1 60 ASN HD21 3.500 . 4.000 3.491 2.150 4.061 0.061 1 0 "[ . 1 . 2]" 1
1045 1 24 LYS H 1 60 ASN HD22 3.500 . 4.000 3.342 2.436 4.066 0.066 5 0 "[ . 1 . 2]" 1
1046 1 26 GLY HA2 1 91 LYS HB3 5.000 . 6.000 5.000 3.939 5.676 . 0 0 "[ . 1 . 2]" 1
1047 1 26 GLY HA2 1 91 LYS HD3 5.000 . 6.000 5.758 3.651 6.154 0.154 3 0 "[ . 1 . 2]" 1
1048 1 26 GLY HA3 1 91 LYS HB3 5.000 . 6.000 5.674 5.061 6.193 0.193 6 0 "[ . 1 . 2]" 1
1049 1 27 ILE MD 1 58 LYS HA 5.500 . 6.500 4.766 2.922 6.275 . 0 0 "[ . 1 . 2]" 1
1050 1 27 ILE HA 1 59 PHE HA 5.000 . 6.000 4.191 3.311 4.784 . 0 0 "[ . 1 . 2]" 1
1051 1 27 ILE HB 1 59 PHE HA 4.000 . 5.000 2.194 1.756 3.220 0.044 3 0 "[ . 1 . 2]" 1
1052 1 27 ILE MD 1 59 PHE HA 5.000 . 6.000 3.701 2.476 4.603 . 0 0 "[ . 1 . 2]" 1
1053 1 27 ILE MD 1 59 PHE HB2 5.500 . 6.500 5.530 4.527 6.533 0.033 18 0 "[ . 1 . 2]" 1
1054 1 27 ILE MD 1 59 PHE HB3 5.500 . 6.500 5.671 4.432 6.573 0.073 20 0 "[ . 1 . 2]" 1
1055 1 27 ILE MD 1 59 PHE H 5.500 . 6.500 4.298 2.403 6.048 . 0 0 "[ . 1 . 2]" 1
1056 1 27 ILE HG12 1 59 PHE HA 4.000 . 5.000 3.774 2.535 5.009 0.009 2 0 "[ . 1 . 2]" 1
1057 1 27 ILE HG13 1 59 PHE HA 3.500 . 4.000 3.183 2.019 4.053 0.053 2 0 "[ . 1 . 2]" 1
1058 1 27 ILE MG 1 59 PHE HA 5.500 . 6.500 3.682 3.131 4.613 . 0 0 "[ . 1 . 2]" 1
1059 1 27 ILE MD 1 60 ASN HA 5.500 . 6.500 4.225 3.010 5.336 . 0 0 "[ . 1 . 2]" 1
1060 1 27 ILE MD 1 60 ASN HD21 5.500 . 6.500 3.194 1.909 4.249 . 0 0 "[ . 1 . 2]" 1
1061 1 27 ILE MD 1 60 ASN HD22 5.500 . 6.500 3.439 2.192 5.057 . 0 0 "[ . 1 . 2]" 1
1062 1 27 ILE HG12 1 60 ASN H 4.000 . 5.000 3.808 2.432 5.068 0.068 14 0 "[ . 1 . 2]" 1
1063 1 27 ILE HG13 1 60 ASN HD21 4.000 . 5.000 3.514 1.798 5.048 0.048 18 0 "[ . 1 . 2]" 1
1064 1 27 ILE HA 1 91 LYS HA 5.000 . 6.000 3.817 2.794 5.210 . 0 0 "[ . 1 . 2]" 1
1065 1 27 ILE HA 1 91 LYS HB2 5.000 . 6.000 3.535 2.588 4.628 . 0 0 "[ . 1 . 2]" 1
1066 1 27 ILE HA 1 91 LYS HB3 5.000 . 6.000 3.661 3.001 4.846 . 0 0 "[ . 1 . 2]" 1
1067 1 28 PRO HB3 1 59 PHE HB3 5.000 . 6.000 4.713 4.127 5.443 . 0 0 "[ . 1 . 2]" 1
1068 1 28 PRO HA 1 89 LEU HB2 5.000 . 6.000 4.440 3.926 4.942 . 0 0 "[ . 1 . 2]" 1
1069 1 28 PRO HA 1 90 ASP HA 4.000 . 5.000 3.344 2.261 3.966 . 0 0 "[ . 1 . 2]" 1
1070 1 28 PRO HB2 1 90 ASP HA 4.000 . 5.000 4.142 3.339 5.001 0.001 18 0 "[ . 1 . 2]" 1
1071 1 28 PRO HB3 1 90 ASP HA 5.000 . 6.000 2.437 1.793 3.310 0.007 5 0 "[ . 1 . 2]" 1
1072 1 28 PRO HA 1 91 LYS HA 4.000 . 5.000 2.327 1.941 2.917 . 0 0 "[ . 1 . 2]" 1
1073 1 28 PRO HA 1 91 LYS HG3 5.000 . 6.000 5.776 4.960 6.164 0.164 7 0 "[ . 1 . 2]" 1
1074 1 28 PRO HA 1 92 GLU H 4.000 . 5.000 4.797 4.298 5.031 0.031 19 0 "[ . 1 . 2]" 1
1075 1 28 PRO HB3 1 112 LEU MD2 5.500 . 6.500 4.681 3.513 6.113 . 0 0 "[ . 1 . 2]" 1
1076 1 28 PRO HA 1 115 LEU MD1 5.500 . 6.500 5.384 4.365 6.510 0.010 2 0 "[ . 1 . 2]" 1
1077 1 28 PRO HA 1 115 LEU MD2 5.500 . 6.500 4.772 3.581 6.527 0.027 12 0 "[ . 1 . 2]" 1
1078 1 28 PRO HB2 1 115 LEU MD1 5.500 . 6.500 4.960 3.190 5.873 . 0 0 "[ . 1 . 2]" 1
1079 1 28 PRO HB2 1 115 LEU MD2 5.500 . 6.500 3.863 2.807 6.176 . 0 0 "[ . 1 . 2]" 1
1080 1 28 PRO HB3 1 115 LEU MD2 5.500 . 6.500 3.142 2.018 5.110 . 0 0 "[ . 1 . 2]" 1
1081 1 28 PRO HG2 1 115 LEU MD2 5.500 . 6.500 4.445 3.294 6.548 0.048 12 0 "[ . 1 . 2]" 1
1082 1 28 PRO HG3 1 115 LEU MD1 5.500 . 6.500 5.222 4.383 6.532 0.032 2 0 "[ . 1 . 2]" 1
1083 1 28 PRO HG3 1 115 LEU MD2 5.500 . 6.500 4.569 3.455 6.337 . 0 0 "[ . 1 . 2]" 1
1084 1 28 PRO HG2 1 116 GLY H 5.000 . 6.000 4.858 4.279 5.827 . 0 0 "[ . 1 . 2]" 1
1085 1 28 PRO HG2 1 117 VAL MG2 5.500 . 6.500 2.466 1.776 3.170 0.024 16 0 "[ . 1 . 2]" 1
1086 1 28 PRO HG2 1 117 VAL H 2.500 . 3.000 2.647 1.839 3.092 0.092 17 0 "[ . 1 . 2]" 1
1087 1 28 PRO HG2 1 118 LYS H 4.000 . 5.000 3.256 2.453 4.964 . 0 0 "[ . 1 . 2]" 1
1088 1 29 THR HA 1 60 ASN HA 5.000 . 6.000 4.799 4.354 5.526 . 0 0 "[ . 1 . 2]" 1
1089 1 29 THR HA 1 60 ASN HB2 4.000 . 5.000 3.580 1.851 5.018 0.018 5 0 "[ . 1 . 2]" 1
1090 1 29 THR HA 1 60 ASN HB3 4.000 . 5.000 3.805 2.537 5.028 0.028 12 0 "[ . 1 . 2]" 1
1091 1 29 THR HA 1 60 ASN H 3.500 . 4.000 2.803 2.414 3.404 . 0 0 "[ . 1 . 2]" 1
1092 1 29 THR MG 1 60 ASN HA 5.500 . 6.500 4.966 4.302 5.899 . 0 0 "[ . 1 . 2]" 1
1093 1 29 THR MG 1 60 ASN HB2 5.000 . 6.000 3.483 1.804 4.825 . 0 0 "[ . 1 . 2]" 1
1094 1 29 THR MG 1 60 ASN HB3 5.000 . 6.000 3.330 2.282 4.975 . 0 0 "[ . 1 . 2]" 1
1095 1 29 THR MG 1 62 TYR QD 6.000 . 7.000 3.619 2.992 4.357 . 0 0 "[ . 1 . 2]" 1
1096 1 29 THR MG 1 62 TYR H 5.500 . 6.500 3.368 2.786 3.761 . 0 0 "[ . 1 . 2]" 1
1097 1 29 THR HA 1 89 LEU MD1 5.500 . 6.500 4.957 4.495 6.586 0.086 3 0 "[ . 1 . 2]" 1
1098 1 29 THR HB 1 89 LEU HA 5.000 . 6.000 5.260 4.989 5.624 . 0 0 "[ . 1 . 2]" 1
1099 1 29 THR HB 1 89 LEU HB2 4.000 . 5.000 2.271 2.038 2.620 . 0 0 "[ . 1 . 2]" 1
1100 1 29 THR HB 1 89 LEU HB3 4.000 . 5.000 3.551 3.166 3.981 . 0 0 "[ . 1 . 2]" 1
1101 1 29 THR HB 1 89 LEU MD1 5.000 . 6.000 2.716 1.778 4.429 0.022 11 0 "[ . 1 . 2]" 1
1102 1 29 THR HB 1 89 LEU HG 4.000 . 5.000 4.175 2.947 5.050 0.050 5 0 "[ . 1 . 2]" 1
1103 1 29 THR MG 1 89 LEU HB2 5.500 . 6.500 3.764 3.476 4.027 . 0 0 "[ . 1 . 2]" 1
1104 1 29 THR H 1 89 LEU HB2 3.000 . 3.500 2.573 2.105 3.007 . 0 0 "[ . 1 . 2]" 1
1105 1 29 THR H 1 89 LEU HB3 3.500 . 4.000 3.677 3.312 4.013 0.013 16 0 "[ . 1 . 2]" 1
1106 1 29 THR H 1 89 LEU MD1 5.500 . 6.500 4.228 3.755 5.112 . 0 0 "[ . 1 . 2]" 1
1107 1 29 THR H 1 89 LEU H 4.000 . 5.000 3.592 3.396 3.838 . 0 0 "[ . 1 . 2]" 1
1108 1 30 ILE MD 1 44 MET ME 6.000 . 7.000 5.432 3.447 7.045 0.045 10 0 "[ . 1 . 2]" 1
1109 1 30 ILE MG 1 44 MET ME 6.000 . 7.000 3.577 2.648 4.890 . 0 0 "[ . 1 . 2]" 1
1110 1 30 ILE MD 1 48 LEU MD2 6.000 . 7.000 3.868 2.287 5.219 . 0 0 "[ . 1 . 2]" 1
1111 1 30 ILE MG 1 48 LEU MD1 6.000 . 7.000 3.432 2.622 4.034 . 0 0 "[ . 1 . 2]" 1
1112 1 30 ILE MG 1 48 LEU MD2 6.000 . 7.000 2.837 2.094 3.566 . 0 0 "[ . 1 . 2]" 1
1113 1 30 ILE MD 1 59 PHE QD 6.000 . 7.000 2.647 1.781 3.996 0.019 3 0 "[ . 1 . 2]" 1
1114 1 30 ILE MD 1 59 PHE QE 6.000 . 7.000 3.623 2.217 5.257 . 0 0 "[ . 1 . 2]" 1
1115 1 30 ILE HG12 1 59 PHE QD 5.500 . 6.500 4.051 1.896 5.436 . 0 0 "[ . 1 . 2]" 1
1116 1 30 ILE HB 1 61 ILE HA 4.000 . 5.000 2.671 2.471 3.071 . 0 0 "[ . 1 . 2]" 1
1117 1 30 ILE MD 1 61 ILE HA 5.500 . 6.500 4.243 3.437 5.371 . 0 0 "[ . 1 . 2]" 1
1118 1 30 ILE MD 1 61 ILE MD 6.000 . 7.000 4.161 1.874 6.454 . 0 0 "[ . 1 . 2]" 1
1119 1 30 ILE H 1 61 ILE HA 3.000 . 3.500 3.005 2.417 3.313 . 0 0 "[ . 1 . 2]" 1
1120 1 30 ILE HB 1 62 TYR H 5.000 . 6.000 3.935 3.415 4.328 . 0 0 "[ . 1 . 2]" 1
1121 1 30 ILE HA 1 86 THR MG 5.500 . 6.500 4.741 3.781 6.163 . 0 0 "[ . 1 . 2]" 1
1122 1 30 ILE MG 1 86 THR HA 5.500 . 6.500 4.302 3.378 4.831 . 0 0 "[ . 1 . 2]" 1
1123 1 30 ILE MG 1 86 THR HB 5.500 . 6.500 4.230 2.711 5.423 . 0 0 "[ . 1 . 2]" 1
1124 1 30 ILE MG 1 86 THR MG 5.000 . 6.000 2.717 2.063 4.081 . 0 0 "[ . 1 . 2]" 1
1125 1 30 ILE MG 1 87 VAL H 5.500 . 6.500 4.158 3.541 4.714 . 0 0 "[ . 1 . 2]" 1
1126 1 30 ILE HA 1 88 PHE HA 4.000 . 5.000 2.676 2.540 3.028 . 0 0 "[ . 1 . 2]" 1
1127 1 30 ILE MD 1 88 PHE QD 6.000 . 7.000 2.926 1.764 3.699 0.036 16 0 "[ . 1 . 2]" 1
1128 1 30 ILE HG12 1 88 PHE HA 5.000 . 6.000 4.014 2.979 4.979 . 0 0 "[ . 1 . 2]" 1
1129 1 30 ILE HG12 1 88 PHE QD 5.500 . 6.500 2.812 1.918 4.470 . 0 0 "[ . 1 . 2]" 1
1130 1 30 ILE HG12 1 88 PHE QE 5.500 . 6.500 3.468 2.565 5.651 . 0 0 "[ . 1 . 2]" 1
1131 1 30 ILE MG 1 88 PHE HA 5.500 . 6.500 3.462 2.861 3.848 . 0 0 "[ . 1 . 2]" 1
1132 1 30 ILE MG 1 88 PHE HB2 5.500 . 6.500 5.339 4.855 5.775 . 0 0 "[ . 1 . 2]" 1
1133 1 30 ILE MG 1 88 PHE QD 6.000 . 7.000 3.231 2.613 3.585 . 0 0 "[ . 1 . 2]" 1
1134 1 30 ILE HA 1 89 LEU MD1 5.500 . 6.500 4.261 3.160 5.519 . 0 0 "[ . 1 . 2]" 1
1135 1 30 ILE HA 1 89 LEU H 5.000 . 6.000 3.065 2.804 3.241 . 0 0 "[ . 1 . 2]" 1
1136 1 30 ILE MD 1 108 ILE MG 6.000 . 7.000 3.587 2.145 4.632 . 0 0 "[ . 1 . 2]" 1
1137 1 30 ILE MG 1 108 ILE HG12 5.500 . 6.500 5.020 4.379 5.541 . 0 0 "[ . 1 . 2]" 1
1138 1 31 ILE HA 1 62 TYR HB3 4.000 . 5.000 2.471 1.852 3.069 . 0 0 "[ . 1 . 2]" 1
1139 1 31 ILE HA 1 62 TYR QD 5.500 . 6.500 3.481 2.418 4.124 . 0 0 "[ . 1 . 2]" 1
1140 1 31 ILE HA 1 62 TYR H 3.000 . 3.500 2.959 2.679 3.473 . 0 0 "[ . 1 . 2]" 1
1141 1 31 ILE MD 1 62 TYR QD 6.000 . 7.000 2.493 1.689 4.240 0.111 1 0 "[ . 1 . 2]" 1
1142 1 31 ILE HG12 1 62 TYR QD 5.000 . 6.000 2.748 1.759 5.185 0.041 2 0 "[ . 1 . 2]" 1
1143 1 31 ILE HG13 1 62 TYR HB3 5.000 . 6.000 3.507 1.746 5.235 0.054 14 0 "[ . 1 . 2]" 1
1144 1 31 ILE HG13 1 62 TYR QD 5.500 . 6.500 3.865 3.402 5.145 . 0 0 "[ . 1 . 2]" 1
1145 1 31 ILE MG 1 62 TYR HA 5.500 . 6.500 4.961 4.581 5.642 . 0 0 "[ . 1 . 2]" 1
1146 1 31 ILE MG 1 62 TYR HB3 5.500 . 6.500 2.938 2.426 3.342 . 0 0 "[ . 1 . 2]" 1
1147 1 31 ILE MG 1 62 TYR QD 6.000 . 7.000 2.190 1.744 3.041 0.056 19 0 "[ . 1 . 2]" 1
1148 1 31 ILE MG 1 64 ALA MB 6.000 . 7.000 2.386 1.954 3.190 . 0 0 "[ . 1 . 2]" 1
1149 1 31 ILE MG 1 64 ALA H 5.500 . 6.500 3.479 2.852 4.728 . 0 0 "[ . 1 . 2]" 1
1150 1 31 ILE MD 1 74 LEU MD1 6.000 . 7.000 2.802 2.116 4.156 . 0 0 "[ . 1 . 2]" 1
1151 1 31 ILE MD 1 74 LEU MD2 6.000 . 7.000 4.236 2.947 5.790 . 0 0 "[ . 1 . 2]" 1
1152 1 31 ILE HG13 1 74 LEU MD1 5.000 . 6.000 4.997 3.708 6.048 0.048 10 0 "[ . 1 . 2]" 1
1153 1 31 ILE MG 1 74 LEU MD1 6.000 . 7.000 2.703 1.963 4.087 . 0 0 "[ . 1 . 2]" 1
1154 1 31 ILE MG 1 74 LEU MD2 6.000 . 7.000 4.626 3.641 5.975 . 0 0 "[ . 1 . 2]" 1
1155 1 31 ILE MD 1 78 TYR QD 6.000 . 7.000 3.806 3.126 4.717 . 0 0 "[ . 1 . 2]" 1
1156 1 31 ILE MD 1 78 TYR QE 6.000 . 7.000 3.061 2.355 4.282 . 0 0 "[ . 1 . 2]" 1
1157 1 31 ILE H 1 86 THR MG 5.500 . 6.500 4.356 3.121 5.907 . 0 0 "[ . 1 . 2]" 1
1158 1 31 ILE HB 1 87 VAL HB 3.500 . 4.000 3.547 1.741 4.132 0.132 15 0 "[ . 1 . 2]" 1
1159 1 31 ILE HB 1 87 VAL MG1 5.000 . 6.000 3.098 1.663 4.257 0.137 4 0 "[ . 1 . 2]" 1
1160 1 31 ILE HB 1 87 VAL H 5.000 . 6.000 3.185 2.734 3.604 . 0 0 "[ . 1 . 2]" 1
1161 1 31 ILE MD 1 87 VAL HB 5.500 . 6.500 4.513 2.713 6.457 . 0 0 "[ . 1 . 2]" 1
1162 1 31 ILE MD 1 87 VAL MG2 6.000 . 7.000 3.595 2.094 5.388 . 0 0 "[ . 1 . 2]" 1
1163 1 31 ILE MG 1 87 VAL HB 5.500 . 6.500 4.565 3.156 5.231 . 0 0 "[ . 1 . 2]" 1
1164 1 31 ILE MG 1 87 VAL MG1 6.000 . 7.000 3.740 2.689 4.475 . 0 0 "[ . 1 . 2]" 1
1165 1 31 ILE MG 1 87 VAL MG2 6.000 . 7.000 3.617 2.398 4.996 . 0 0 "[ . 1 . 2]" 1
1166 1 31 ILE H 1 87 VAL HB 4.000 . 5.000 4.504 2.918 5.093 0.093 16 0 "[ . 1 . 2]" 1
1167 1 31 ILE H 1 87 VAL MG2 5.500 . 6.500 3.833 2.465 4.771 . 0 0 "[ . 1 . 2]" 1
1168 1 31 ILE H 1 87 VAL H 3.500 . 4.000 3.338 3.008 3.702 . 0 0 "[ . 1 . 2]" 1
1169 1 32 MET ME 1 41 CYS HA 5.000 . 6.000 2.446 1.786 3.244 0.014 10 0 "[ . 1 . 2]" 1
1170 1 32 MET ME 1 41 CYS HB2 5.500 . 6.500 3.565 2.570 4.612 . 0 0 "[ . 1 . 2]" 1
1171 1 32 MET ME 1 42 VAL HA 5.500 . 6.500 5.453 4.300 6.538 0.038 20 0 "[ . 1 . 2]" 1
1172 1 32 MET HG2 1 44 MET ME 5.500 . 6.500 4.798 3.237 6.155 . 0 0 "[ . 1 . 2]" 1
1173 1 32 MET ME 1 48 LEU MD1 6.000 . 7.000 3.646 2.936 4.914 . 0 0 "[ . 1 . 2]" 1
1174 1 32 MET ME 1 48 LEU MD2 6.000 . 7.000 5.278 4.603 6.362 . 0 0 "[ . 1 . 2]" 1
1175 1 32 MET HG2 1 48 LEU MD1 5.500 . 6.500 3.613 2.219 4.699 . 0 0 "[ . 1 . 2]" 1
1176 1 32 MET ME 1 61 ILE MG 6.000 . 7.000 5.047 4.251 6.414 . 0 0 "[ . 1 . 2]" 1
1177 1 32 MET H 1 62 TYR H 4.000 . 5.000 4.058 3.636 4.435 . 0 0 "[ . 1 . 2]" 1
1178 1 32 MET HB2 1 63 TYR QD 5.000 . 6.000 4.893 3.997 5.627 . 0 0 "[ . 1 . 2]" 1
1179 1 32 MET HB2 1 63 TYR QE 5.000 . 6.000 5.454 4.173 5.989 . 0 0 "[ . 1 . 2]" 1
1180 1 32 MET HB3 1 63 TYR QD 5.000 . 6.000 4.521 2.491 5.824 . 0 0 "[ . 1 . 2]" 1
1181 1 32 MET HB3 1 63 TYR QE 5.500 . 6.500 4.977 2.894 5.969 . 0 0 "[ . 1 . 2]" 1
1182 1 32 MET ME 1 63 TYR HA 5.500 . 6.500 4.962 4.120 6.186 . 0 0 "[ . 1 . 2]" 1
1183 1 32 MET ME 1 63 TYR QD 6.000 . 7.000 3.838 2.901 5.400 . 0 0 "[ . 1 . 2]" 1
1184 1 32 MET ME 1 63 TYR QE 6.000 . 7.000 4.010 3.007 5.622 . 0 0 "[ . 1 . 2]" 1
1185 1 32 MET H 1 64 ALA H 4.000 . 5.000 3.294 2.795 3.689 . 0 0 "[ . 1 . 2]" 1
1186 1 32 MET ME 1 83 VAL HA 5.500 . 6.500 5.763 4.148 6.578 0.078 3 0 "[ . 1 . 2]" 1
1187 1 32 MET ME 1 84 PRO HA 5.500 . 6.500 4.134 2.422 5.109 . 0 0 "[ . 1 . 2]" 1
1188 1 32 MET HB2 1 85 THR H 4.000 . 5.000 4.965 4.674 5.173 0.173 12 0 "[ . 1 . 2]" 1
1189 1 32 MET HA 1 86 THR MG 5.500 . 6.500 3.339 2.467 4.691 . 0 0 "[ . 1 . 2]" 1
1190 1 32 MET HB2 1 86 THR MG 5.500 . 6.500 3.468 2.039 4.583 . 0 0 "[ . 1 . 2]" 1
1191 1 32 MET HB3 1 86 THR MG 5.500 . 6.500 3.187 1.819 6.010 . 0 0 "[ . 1 . 2]" 1
1192 1 32 MET ME 1 86 THR MG 6.000 . 7.000 4.478 3.237 5.720 . 0 0 "[ . 1 . 2]" 1
1193 1 32 MET HG2 1 86 THR MG 5.500 . 6.500 4.683 3.448 6.340 . 0 0 "[ . 1 . 2]" 1
1194 1 32 MET HG3 1 86 THR MG 5.500 . 6.500 5.007 2.556 6.561 0.061 17 0 "[ . 1 . 2]" 1
1195 1 32 MET H 1 86 THR HA 4.000 . 5.000 4.639 4.437 5.001 0.001 9 0 "[ . 1 . 2]" 1
1196 1 32 MET H 1 86 THR MG 5.500 . 6.500 4.697 3.627 6.563 0.063 10 0 "[ . 1 . 2]" 1
1197 1 33 PHE HA 1 64 ALA MB 4.000 . 5.000 1.901 1.697 2.455 0.103 3 0 "[ . 1 . 2]" 1
1198 1 33 PHE HA 1 64 ALA H 4.000 . 5.000 3.191 2.624 3.594 . 0 0 "[ . 1 . 2]" 1
1199 1 33 PHE QD 1 64 ALA MB 6.000 . 7.000 2.426 2.160 2.615 . 0 0 "[ . 1 . 2]" 1
1200 1 33 PHE QE 1 64 ALA MB 6.000 . 7.000 2.968 2.717 3.503 . 0 0 "[ . 1 . 2]" 1
1201 1 33 PHE QD 1 66 LEU MD1 6.000 . 7.000 3.304 2.303 4.167 . 0 0 "[ . 1 . 2]" 1
1202 1 33 PHE QD 1 66 LEU MD2 6.000 . 7.000 4.685 2.354 5.880 . 0 0 "[ . 1 . 2]" 1
1203 1 33 PHE QE 1 71 ASN HA 5.500 . 6.500 4.430 3.296 5.318 . 0 0 "[ . 1 . 2]" 1
1204 1 33 PHE QE 1 74 LEU MD1 6.000 . 7.000 2.722 2.042 4.201 . 0 0 "[ . 1 . 2]" 1
1205 1 33 PHE QE 1 74 LEU MD2 6.000 . 7.000 4.691 4.351 5.207 . 0 0 "[ . 1 . 2]" 1
1206 1 33 PHE QE 1 74 LEU HG 5.500 . 6.500 4.458 3.828 4.931 . 0 0 "[ . 1 . 2]" 1
1207 1 33 PHE QD 1 75 ALA MB 6.000 . 7.000 2.953 2.380 3.310 . 0 0 "[ . 1 . 2]" 1
1208 1 33 PHE QD 1 75 ALA H 5.500 . 6.500 4.474 4.153 4.959 . 0 0 "[ . 1 . 2]" 1
1209 1 33 PHE QE 1 75 ALA HA 5.000 . 6.000 2.124 1.776 2.647 0.024 12 0 "[ . 1 . 2]" 1
1210 1 33 PHE QE 1 75 ALA MB 6.000 . 7.000 3.063 2.300 3.542 . 0 0 "[ . 1 . 2]" 1
1211 1 33 PHE QE 1 75 ALA H 5.000 . 6.000 3.205 2.831 3.699 . 0 0 "[ . 1 . 2]" 1
1212 1 33 PHE QE 1 78 TYR HB2 5.500 . 6.500 3.025 2.259 3.765 . 0 0 "[ . 1 . 2]" 1
1213 1 33 PHE QE 1 78 TYR HB3 5.500 . 6.500 3.221 2.613 4.439 . 0 0 "[ . 1 . 2]" 1
1214 1 33 PHE QD 1 80 ALA MB 6.000 . 7.000 2.801 2.556 3.174 . 0 0 "[ . 1 . 2]" 1
1215 1 33 PHE QE 1 80 ALA MB 6.000 . 7.000 2.922 2.544 3.459 . 0 0 "[ . 1 . 2]" 1
1216 1 33 PHE QD 1 85 THR HB 5.500 . 6.500 3.350 1.791 5.579 0.009 19 0 "[ . 1 . 2]" 1
1217 1 33 PHE QD 1 85 THR MG 6.000 . 7.000 2.865 1.804 4.297 . 0 0 "[ . 1 . 2]" 1
1218 1 33 PHE QE 1 85 THR MG 6.000 . 7.000 3.937 2.972 5.273 . 0 0 "[ . 1 . 2]" 1
1219 1 33 PHE H 1 85 THR HB 5.000 . 6.000 4.231 2.522 5.600 . 0 0 "[ . 1 . 2]" 1
1220 1 33 PHE H 1 85 THR H 4.000 . 5.000 3.212 2.920 3.737 . 0 0 "[ . 1 . 2]" 1
1221 1 33 PHE QE 1 87 VAL HB 5.500 . 6.500 3.755 2.671 5.276 . 0 0 "[ . 1 . 2]" 1
1222 1 33 PHE QE 1 87 VAL MG1 5.000 2.300 6.000 2.820 2.255 4.079 0.045 4 0 "[ . 1 . 2]" 1
1223 1 33 PHE H 1 87 VAL MG1 5.500 . 6.500 5.614 4.461 6.754 0.254 13 0 "[ . 1 . 2]" 1
1224 1 34 LYS HD2 1 63 TYR HB2 5.000 . 6.000 5.267 3.458 6.074 0.074 19 0 "[ . 1 . 2]" 1
1225 1 34 LYS HD3 1 63 TYR HB2 4.000 . 5.000 4.739 2.782 5.206 0.206 8 0 "[ . 1 . 2]" 1
1226 1 34 LYS H 1 64 ALA MB 5.500 . 6.500 3.288 2.832 3.868 . 0 0 "[ . 1 . 2]" 1
1227 1 34 LYS H 1 64 ALA H 4.000 . 5.000 4.077 3.448 4.614 . 0 0 "[ . 1 . 2]" 1
1228 1 34 LYS HD2 1 65 ARG HA 3.500 . 4.000 3.567 1.890 4.263 0.263 1 0 "[ . 1 . 2]" 1
1229 1 34 LYS HD3 1 65 ARG HA 3.500 . 4.000 3.072 1.863 4.282 0.282 13 0 "[ . 1 . 2]" 1
1230 1 34 LYS H 1 65 ARG HA 4.000 . 5.000 3.142 2.575 3.639 . 0 0 "[ . 1 . 2]" 1
1231 1 34 LYS HA 1 66 LEU MD2 5.500 . 6.500 5.225 3.275 6.444 . 0 0 "[ . 1 . 2]" 1
1232 1 34 LYS H 1 66 LEU H 4.000 . 5.000 3.477 3.201 3.900 . 0 0 "[ . 1 . 2]" 1
1233 1 34 LYS HA 1 83 VAL HA 4.000 . 5.000 4.608 3.701 5.104 0.104 5 0 "[ . 1 . 2]" 1
1234 1 34 LYS HA 1 83 VAL HB 3.500 . 4.000 3.038 2.320 4.070 0.070 1 0 "[ . 1 . 2]" 1
1235 1 34 LYS HA 1 83 VAL MG1 4.000 . 5.000 2.710 1.811 3.744 . 0 0 "[ . 1 . 2]" 1
1236 1 34 LYS HA 1 83 VAL MG2 5.000 . 6.000 3.605 1.974 5.076 . 0 0 "[ . 1 . 2]" 1
1237 1 35 THR HA 1 66 LEU HB2 5.000 . 6.000 2.520 1.773 3.692 0.027 4 0 "[ . 1 . 2]" 1
1238 1 35 THR HA 1 66 LEU H 5.000 . 6.000 2.906 2.233 3.573 . 0 0 "[ . 1 . 2]" 1
1239 1 35 THR MG 1 66 LEU HA 5.500 . 6.500 5.679 4.370 6.611 0.111 12 0 "[ . 1 . 2]" 1
1240 1 35 THR MG 1 66 LEU HB2 5.000 . 6.000 3.548 1.946 4.864 . 0 0 "[ . 1 . 2]" 1
1241 1 35 THR MG 1 66 LEU HB3 5.000 . 6.000 3.580 2.596 5.183 . 0 0 "[ . 1 . 2]" 1
1242 1 35 THR MG 1 66 LEU MD2 5.000 2.300 6.000 3.329 2.255 5.923 0.045 14 0 "[ . 1 . 2]" 1
1243 1 35 THR MG 1 66 LEU HG 5.500 . 6.500 4.918 3.029 6.015 . 0 0 "[ . 1 . 2]" 1
1244 1 35 THR MG 1 66 LEU H 5.500 . 6.500 4.577 3.143 5.159 . 0 0 "[ . 1 . 2]" 1
1245 1 35 THR MG 1 67 GLU H 5.500 . 6.500 5.617 4.314 6.534 0.034 17 0 "[ . 1 . 2]" 1
1246 1 35 THR HA 1 83 VAL MG1 5.500 . 6.500 4.069 3.535 5.104 . 0 0 "[ . 1 . 2]" 1
1247 1 35 THR HB 1 83 VAL MG2 5.500 . 6.500 3.911 2.647 5.369 . 0 0 "[ . 1 . 2]" 1
1248 1 35 THR MG 1 83 VAL MG1 5.000 2.300 6.000 3.544 2.246 4.575 0.054 13 0 "[ . 1 . 2]" 1
1249 1 35 THR MG 1 83 VAL MG2 5.000 2.300 6.000 3.294 2.242 4.111 0.058 1 0 "[ . 1 . 2]" 1
1250 1 35 THR H 1 83 VAL MG2 5.500 . 6.500 3.131 1.858 4.966 . 0 0 "[ . 1 . 2]" 1
1251 1 36 ASP HB2 1 67 GLU HA 3.500 . 4.000 3.903 3.174 4.230 0.230 20 0 "[ . 1 . 2]" 1
1252 1 36 ASP HB2 1 67 GLU H 4.000 . 5.000 4.731 3.248 5.157 0.157 5 0 "[ . 1 . 2]" 1
1253 1 38 CYS HA 1 83 VAL MG2 5.500 . 6.500 5.649 3.971 6.564 0.064 2 0 "[ . 1 . 2]" 1
1254 1 38 CYS HB2 1 83 VAL MG2 5.500 . 6.500 4.009 2.071 5.264 . 0 0 "[ . 1 . 2]" 1
1255 1 38 CYS HB3 1 83 VAL MG2 5.500 . 6.500 3.948 2.542 5.140 . 0 0 "[ . 1 . 2]" 1
1256 1 40 TYR HA 1 102 LEU MD2 5.500 . 6.500 3.970 2.985 5.064 . 0 0 "[ . 1 . 2]" 1
1257 1 40 TYR QD 1 102 LEU HA 5.500 . 6.500 5.256 4.046 6.367 . 0 0 "[ . 1 . 2]" 1
1258 1 40 TYR QD 1 102 LEU MD1 6.000 . 7.000 3.188 1.965 4.346 . 0 0 "[ . 1 . 2]" 1
1259 1 40 TYR QD 1 102 LEU MD2 6.000 . 7.000 2.744 1.837 4.325 . 0 0 "[ . 1 . 2]" 1
1260 1 40 TYR QE 1 102 LEU MD1 6.000 . 7.000 4.912 3.330 6.192 . 0 0 "[ . 1 . 2]" 1
1261 1 40 TYR QE 1 102 LEU MD2 6.000 . 7.000 3.857 2.856 5.558 . 0 0 "[ . 1 . 2]" 1
1262 1 43 GLU HB2 1 102 LEU MD1 4.000 . 5.000 4.020 2.901 4.799 . 0 0 "[ . 1 . 2]" 1
1263 1 43 GLU HB2 1 102 LEU MD2 5.000 . 6.000 4.083 3.305 5.375 . 0 0 "[ . 1 . 2]" 1
1264 1 43 GLU HG2 1 102 LEU MD1 5.500 . 6.500 3.317 2.155 5.732 . 0 0 "[ . 1 . 2]" 1
1265 1 43 GLU HG2 1 102 LEU MD2 5.500 . 6.500 2.842 1.769 5.257 0.031 9 0 "[ . 1 . 2]" 1
1266 1 43 GLU HG3 1 102 LEU MD1 5.500 . 6.500 3.149 2.026 5.173 . 0 0 "[ . 1 . 2]" 1
1267 1 43 GLU HG3 1 102 LEU MD2 5.500 . 6.500 3.316 2.466 4.695 . 0 0 "[ . 1 . 2]" 1
1268 1 44 MET ME 1 86 THR HA 5.500 . 6.500 4.527 3.855 5.333 . 0 0 "[ . 1 . 2]" 1
1269 1 44 MET ME 1 86 THR HB 5.000 . 6.000 3.124 1.943 3.603 . 0 0 "[ . 1 . 2]" 1
1270 1 44 MET ME 1 86 THR MG 6.000 . 7.000 2.153 1.818 3.288 . 0 0 "[ . 1 . 2]" 1
1271 1 44 MET ME 1 88 PHE QE 6.000 . 7.000 3.907 3.420 4.478 . 0 0 "[ . 1 . 2]" 1
1272 1 44 MET ME 1 97 TYR QE 6.000 . 7.000 6.487 5.827 7.040 0.040 20 0 "[ . 1 . 2]" 1
1273 1 44 MET HA 1 102 LEU MD1 5.500 . 6.500 3.262 2.777 5.725 . 0 0 "[ . 1 . 2]" 1
1274 1 44 MET HB2 1 102 LEU MD1 5.500 . 6.500 2.556 1.819 5.184 . 0 0 "[ . 1 . 2]" 1
1275 1 44 MET HB3 1 102 LEU MD1 5.500 . 6.500 3.960 3.345 6.572 0.072 6 0 "[ . 1 . 2]" 1
1276 1 44 MET HG2 1 102 LEU MD1 5.000 . 6.000 4.245 3.059 4.956 . 0 0 "[ . 1 . 2]" 1
1277 1 44 MET HG3 1 102 LEU MD1 5.500 . 6.500 3.392 2.243 5.571 . 0 0 "[ . 1 . 2]" 1
1278 1 44 MET H 1 102 LEU MD1 5.500 . 6.500 3.275 2.715 5.333 . 0 0 "[ . 1 . 2]" 1
1279 1 44 MET ME 1 103 MET HA 5.500 . 6.500 5.216 4.063 6.072 . 0 0 "[ . 1 . 2]" 1
1280 1 44 MET ME 1 103 MET HB2 4.000 . 5.000 3.378 1.785 4.916 0.015 4 0 "[ . 1 . 2]" 1
1281 1 44 MET ME 1 103 MET HB3 4.000 . 5.000 4.338 3.295 5.028 0.028 18 0 "[ . 1 . 2]" 1
1282 1 44 MET ME 1 103 MET H 5.000 . 6.000 3.656 2.483 5.137 . 0 0 "[ . 1 . 2]" 1
1283 1 44 MET ME 1 108 ILE HA 5.500 . 6.500 4.771 4.025 5.284 . 0 0 "[ . 1 . 2]" 1
1284 1 44 MET ME 1 108 ILE MD 5.000 2.300 6.000 2.573 2.271 3.109 0.029 13 0 "[ . 1 . 2]" 1
1285 1 44 MET ME 1 108 ILE HG12 5.000 . 6.000 2.773 1.961 3.404 . 0 0 "[ . 1 . 2]" 1
1286 1 44 MET ME 1 108 ILE H 5.500 . 6.500 5.298 4.520 5.912 . 0 0 "[ . 1 . 2]" 1
1287 1 44 MET HG2 1 108 ILE MD 5.500 . 6.500 3.281 2.958 4.154 . 0 0 "[ . 1 . 2]" 1
1288 1 44 MET HG2 1 108 ILE HG12 4.000 . 5.000 5.011 4.442 5.129 0.129 8 0 "[ . 1 . 2]" 1
1289 1 44 MET HG3 1 108 ILE MD 5.500 . 6.500 3.203 2.566 4.758 . 0 0 "[ . 1 . 2]" 1
1290 1 44 MET ME 1 111 ILE MD 6.000 . 7.000 6.422 4.630 7.039 0.039 3 0 "[ . 1 . 2]" 1
1291 1 45 GLN HG3 1 61 ILE MG 5.500 . 6.500 5.947 5.555 6.516 0.016 4 0 "[ . 1 . 2]" 1
1292 1 45 GLN HA 1 63 TYR QE 5.500 . 6.500 3.465 2.688 4.816 . 0 0 "[ . 1 . 2]" 1
1293 1 45 GLN HG2 1 63 TYR QE 5.500 . 6.500 2.713 1.790 4.634 0.010 1 0 "[ . 1 . 2]" 1
1294 1 45 GLN HG3 1 63 TYR QE 5.500 . 6.500 3.688 2.671 4.743 . 0 0 "[ . 1 . 2]" 1
1295 1 47 GLU HG3 1 104 ARG HA 3.500 . 4.000 2.271 1.764 4.081 0.081 12 0 "[ . 1 . 2]" 1
1296 1 47 GLU HB2 1 108 ILE MD 5.000 . 6.000 2.748 2.083 3.287 . 0 0 "[ . 1 . 2]" 1
1297 1 48 LEU HB3 1 61 ILE MD 5.500 . 6.500 2.433 1.740 3.954 0.060 6 0 "[ . 1 . 2]" 1
1298 1 48 LEU HG 1 61 ILE MD 5.500 . 6.500 4.562 3.835 6.293 . 0 0 "[ . 1 . 2]" 1
1299 1 48 LEU HG 1 61 ILE MG 5.500 . 6.500 4.504 4.117 4.997 . 0 0 "[ . 1 . 2]" 1
1300 1 48 LEU MD1 1 63 TYR QE 6.000 . 7.000 2.504 1.802 3.395 . 0 0 "[ . 1 . 2]" 1
1301 1 48 LEU MD2 1 63 TYR QE 6.000 . 7.000 4.883 3.912 5.384 . 0 0 "[ . 1 . 2]" 1
1302 1 48 LEU MD1 1 88 PHE QE 6.000 . 7.000 5.782 5.119 6.546 . 0 0 "[ . 1 . 2]" 1
1303 1 48 LEU HA 1 108 ILE MD 5.500 . 6.500 3.087 2.832 3.434 . 0 0 "[ . 1 . 2]" 1
1304 1 50 TYR QD 1 105 LYS HB3 5.500 . 6.500 4.139 2.818 5.778 . 0 0 "[ . 1 . 2]" 1
1305 1 51 VAL MG2 1 59 PHE QE 5.000 2.300 6.000 4.621 4.185 5.367 . 0 0 "[ . 1 . 2]" 1
1306 1 51 VAL HA 1 105 LYS HE3 4.000 . 5.000 4.197 2.388 5.106 0.106 16 0 "[ . 1 . 2]" 1
1307 1 51 VAL MG1 1 105 LYS HA 5.000 . 6.000 4.659 4.206 4.951 . 0 0 "[ . 1 . 2]" 1
1308 1 51 VAL MG1 1 105 LYS HE2 5.000 . 6.000 4.612 3.487 6.090 0.090 2 0 "[ . 1 . 2]" 1
1309 1 51 VAL MG1 1 105 LYS HE3 5.500 . 6.500 5.351 3.286 6.242 . 0 0 "[ . 1 . 2]" 1
1310 1 51 VAL MG2 1 105 LYS HE3 5.500 . 6.500 4.008 1.791 4.890 0.009 18 0 "[ . 1 . 2]" 1
1311 1 51 VAL HB 1 108 ILE MG 5.500 . 6.500 4.078 3.460 4.691 . 0 0 "[ . 1 . 2]" 1
1312 1 51 VAL MG1 1 108 ILE HA 5.500 . 6.500 5.634 4.825 6.440 . 0 0 "[ . 1 . 2]" 1
1313 1 51 VAL MG1 1 108 ILE HB 4.000 . 5.000 3.678 3.020 4.343 . 0 0 "[ . 1 . 2]" 1
1314 1 51 VAL MG1 1 108 ILE MD 6.000 . 7.000 4.126 3.729 4.866 . 0 0 "[ . 1 . 2]" 1
1315 1 51 VAL MG1 1 108 ILE MG 5.000 2.300 6.000 2.995 2.289 3.823 0.011 11 0 "[ . 1 . 2]" 1
1316 1 51 VAL HA 1 109 GLU HG2 5.000 . 6.000 4.597 3.482 5.954 . 0 0 "[ . 1 . 2]" 1
1317 1 51 VAL MG1 1 109 GLU HG3 5.000 . 6.000 3.277 1.991 4.895 . 0 0 "[ . 1 . 2]" 1
1318 1 51 VAL MG1 1 109 GLU H 5.500 . 6.500 4.138 3.583 4.862 . 0 0 "[ . 1 . 2]" 1
1319 1 51 VAL MG2 1 109 GLU HA 5.500 . 6.500 4.214 3.535 4.919 . 0 0 "[ . 1 . 2]" 1
1320 1 51 VAL MG2 1 109 GLU HG2 5.500 . 6.500 3.441 2.215 5.273 . 0 0 "[ . 1 . 2]" 1
1321 1 51 VAL MG2 1 109 GLU HG3 5.500 . 6.500 3.378 2.082 4.601 . 0 0 "[ . 1 . 2]" 1
1322 1 51 VAL HB 1 112 LEU MD1 5.500 . 6.500 4.367 3.755 6.088 . 0 0 "[ . 1 . 2]" 1
1323 1 51 VAL MG1 1 112 LEU MD1 6.000 . 7.000 2.434 1.956 4.696 . 0 0 "[ . 1 . 2]" 1
1324 1 51 VAL MG2 1 112 LEU MD1 6.000 . 7.000 3.807 3.123 5.411 . 0 0 "[ . 1 . 2]" 1
1325 1 51 VAL MG2 1 112 LEU MD2 6.000 . 7.000 5.198 3.460 6.298 . 0 0 "[ . 1 . 2]" 1
1326 1 52 SER HA 1 59 PHE QE 5.000 . 6.000 3.166 2.174 4.299 . 0 0 "[ . 1 . 2]" 1
1327 1 52 SER HB2 1 59 PHE QE 5.500 . 6.500 5.112 4.325 6.110 . 0 0 "[ . 1 . 2]" 1
1328 1 52 SER HB3 1 59 PHE QE 5.500 . 6.500 4.652 3.617 5.939 . 0 0 "[ . 1 . 2]" 1
1329 1 52 SER H 1 59 PHE HZ 5.000 . 6.000 3.563 2.808 4.755 . 0 0 "[ . 1 . 2]" 1
1330 1 52 SER HB2 1 61 ILE MD 5.500 . 6.500 4.401 2.757 6.461 . 0 0 "[ . 1 . 2]" 1
1331 1 52 SER HB3 1 61 ILE MD 5.500 . 6.500 4.301 3.481 6.010 . 0 0 "[ . 1 . 2]" 1
1332 1 55 ARG HD2 1 112 LEU MD1 5.500 . 6.500 5.095 2.245 6.604 0.104 7 0 "[ . 1 . 2]" 1
1333 1 55 ARG HD3 1 112 LEU MD1 5.500 . 6.500 5.375 3.199 6.524 0.024 4 0 "[ . 1 . 2]" 1
1334 1 55 ARG HA 1 117 VAL MG1 5.500 . 6.500 5.759 4.657 6.561 0.061 6 0 "[ . 1 . 2]" 1
1335 1 55 ARG HD2 1 117 VAL MG1 5.000 . 6.000 3.889 2.248 5.826 . 0 0 "[ . 1 . 2]" 1
1336 1 55 ARG HG3 1 117 VAL MG1 5.500 . 6.500 3.815 2.606 4.698 . 0 0 "[ . 1 . 2]" 1
1337 1 58 LYS HA 1 117 VAL MG1 5.500 . 6.500 4.007 2.967 5.139 . 0 0 "[ . 1 . 2]" 1
1338 1 58 LYS HB2 1 117 VAL MG1 5.500 . 6.500 3.518 2.696 4.689 . 0 0 "[ . 1 . 2]" 1
1339 1 58 LYS HB3 1 117 VAL MG1 5.000 . 6.000 2.536 1.854 3.729 . 0 0 "[ . 1 . 2]" 1
1340 1 59 PHE QE 1 108 ILE MG 6.000 . 7.000 4.291 3.124 5.088 . 0 0 "[ . 1 . 2]" 1
1341 1 59 PHE QD 1 112 LEU MD1 6.000 . 7.000 3.264 2.669 3.810 . 0 0 "[ . 1 . 2]" 1
1342 1 59 PHE QD 1 112 LEU MD2 6.000 . 7.000 3.693 3.022 4.331 . 0 0 "[ . 1 . 2]" 1
1343 1 59 PHE QE 1 112 LEU MD1 6.000 . 7.000 3.095 1.925 4.148 . 0 0 "[ . 1 . 2]" 1
1344 1 59 PHE HB3 1 117 VAL MG1 5.500 . 6.500 3.120 1.768 4.793 0.032 12 0 "[ . 1 . 2]" 1
1345 1 59 PHE QD 1 117 VAL MG1 6.000 . 7.000 3.112 1.959 4.534 . 0 0 "[ . 1 . 2]" 1
1346 1 62 TYR QE 1 70 LYS HG2 5.500 . 6.500 5.512 4.484 6.582 0.082 18 0 "[ . 1 . 2]" 1
1347 1 62 TYR QD 1 74 LEU MD1 6.000 . 7.000 3.740 3.293 4.262 . 0 0 "[ . 1 . 2]" 1
1348 1 62 TYR QD 1 74 LEU MD2 6.000 . 7.000 4.967 4.070 5.937 . 0 0 "[ . 1 . 2]" 1
1349 1 62 TYR QE 1 74 LEU MD1 5.000 2.300 6.000 2.553 2.234 3.329 0.066 4 0 "[ . 1 . 2]" 1
1350 1 62 TYR QE 1 74 LEU HG 5.000 . 6.000 2.729 1.784 3.453 0.016 5 0 "[ . 1 . 2]" 1
1351 1 64 ALA HA 1 71 ASN HD21 4.000 . 5.000 3.067 1.785 4.773 0.015 19 0 "[ . 1 . 2]" 1
1352 1 64 ALA HA 1 71 ASN HD22 4.000 . 5.000 2.817 2.023 3.881 . 0 0 "[ . 1 . 2]" 1
1353 1 64 ALA MB 1 71 ASN HB2 5.500 . 6.500 4.155 2.460 4.702 . 0 0 "[ . 1 . 2]" 1
1354 1 64 ALA MB 1 71 ASN HB3 5.500 . 6.500 2.996 1.847 4.938 . 0 0 "[ . 1 . 2]" 1
1355 1 64 ALA MB 1 74 LEU MD1 5.000 2.300 6.000 3.189 2.359 4.405 . 0 0 "[ . 1 . 2]" 1
1356 1 65 ARG H 1 71 ASN HD21 3.500 . 4.000 3.288 2.475 4.135 0.135 4 0 "[ . 1 . 2]" 1
1357 1 66 LEU HA 1 75 ALA MB 5.500 . 6.500 4.914 4.421 5.527 . 0 0 "[ . 1 . 2]" 1
1358 1 66 LEU MD1 1 75 ALA HA 5.500 . 6.500 4.765 4.157 5.702 . 0 0 "[ . 1 . 2]" 1
1359 1 66 LEU MD1 1 75 ALA H 5.500 . 6.500 4.800 3.970 6.028 . 0 0 "[ . 1 . 2]" 1
1360 1 66 LEU MD1 1 76 TYR H 5.500 . 6.500 5.939 4.774 6.565 0.065 12 0 "[ . 1 . 2]" 1
1361 1 66 LEU MD1 1 80 ALA HA 5.500 . 6.500 6.542 6.189 6.640 0.140 2 0 "[ . 1 . 2]" 1
1362 1 66 LEU MD2 1 80 ALA MB 6.000 . 7.000 4.971 3.685 6.502 . 0 0 "[ . 1 . 2]" 1
1363 1 66 LEU MD1 1 81 ASN HA 5.500 . 6.500 5.211 3.180 6.540 0.040 19 0 "[ . 1 . 2]" 1
1364 1 66 LEU MD2 1 81 ASN HA 5.500 . 6.500 5.123 4.017 6.501 0.001 2 0 "[ . 1 . 2]" 1
1365 1 66 LEU H 1 83 VAL MG1 5.500 . 6.500 4.985 3.826 6.542 0.042 14 0 "[ . 1 . 2]" 1
1366 1 74 LEU MD1 1 87 VAL HB 5.500 . 6.500 6.407 5.816 6.602 0.102 18 0 "[ . 1 . 2]" 1
1367 1 78 TYR HA 1 87 VAL MG1 5.500 . 6.500 4.298 3.056 6.510 0.010 16 0 "[ . 1 . 2]" 1
1368 1 78 TYR HB2 1 87 VAL MG1 5.000 . 6.000 3.744 3.079 4.751 . 0 0 "[ . 1 . 2]" 1
1369 1 78 TYR HB3 1 87 VAL MG1 5.000 . 6.000 2.656 1.728 4.824 0.072 14 0 "[ . 1 . 2]" 1
1370 1 78 TYR QD 1 87 VAL HB 5.500 . 6.500 3.802 2.914 4.807 . 0 0 "[ . 1 . 2]" 1
1371 1 78 TYR QD 1 87 VAL MG1 6.000 . 7.000 2.690 1.791 4.059 0.009 12 0 "[ . 1 . 2]" 1
1372 1 78 TYR QD 1 87 VAL MG2 6.000 . 7.000 2.611 1.822 3.753 . 0 0 "[ . 1 . 2]" 1
1373 1 78 TYR QE 1 87 VAL MG1 6.000 . 7.000 3.845 2.413 5.074 . 0 0 "[ . 1 . 2]" 1
1374 1 78 TYR QE 1 87 VAL MG2 6.000 . 7.000 3.757 2.289 4.595 . 0 0 "[ . 1 . 2]" 1
1375 1 78 TYR H 1 87 VAL MG1 5.500 . 6.500 5.581 4.836 6.524 0.024 16 0 "[ . 1 . 2]" 1
1376 1 78 TYR QE 1 89 LEU MD1 6.000 . 7.000 2.796 1.829 4.286 . 0 0 "[ . 1 . 2]" 1
1377 1 78 TYR QE 1 89 LEU MD2 6.000 . 7.000 2.292 1.766 3.795 0.034 12 0 "[ . 1 . 2]" 1
1378 1 78 TYR QD 1 95 LYS HD2 5.000 . 6.000 3.569 2.180 5.810 . 0 0 "[ . 1 . 2]" 1
1379 1 78 TYR QD 1 95 LYS HD3 5.500 . 6.500 3.701 1.784 5.048 0.016 1 0 "[ . 1 . 2]" 1
1380 1 78 TYR QD 1 95 LYS HE2 5.500 . 6.500 3.709 1.790 4.866 0.010 13 0 "[ . 1 . 2]" 1
1381 1 78 TYR QD 1 95 LYS HE3 5.500 . 6.500 3.554 2.185 6.206 . 0 0 "[ . 1 . 2]" 1
1382 1 78 TYR QE 1 95 LYS HB2 5.500 . 6.500 4.098 2.271 5.851 . 0 0 "[ . 1 . 2]" 1
1383 1 78 TYR QE 1 95 LYS HB3 5.500 . 6.500 4.346 2.287 5.760 . 0 0 "[ . 1 . 2]" 1
1384 1 78 TYR QE 1 95 LYS HD2 5.500 . 6.500 4.328 3.007 6.033 . 0 0 "[ . 1 . 2]" 1
1385 1 78 TYR QE 1 95 LYS HD3 5.000 . 6.000 4.474 1.769 6.027 0.031 18 0 "[ . 1 . 2]" 1
1386 1 78 TYR QE 1 95 LYS HE2 5.500 . 6.500 4.834 3.503 6.007 . 0 0 "[ . 1 . 2]" 1
1387 1 78 TYR QE 1 95 LYS HE3 5.500 . 6.500 4.666 2.836 6.510 0.010 20 0 "[ . 1 . 2]" 1
1388 1 78 TYR QE 1 95 LYS HG3 5.500 . 6.500 3.896 2.576 5.789 . 0 0 "[ . 1 . 2]" 1
1389 1 78 TYR HB2 1 98 VAL MG1 5.500 . 6.500 5.925 4.644 6.577 0.077 14 0 "[ . 1 . 2]" 1
1390 1 78 TYR QD 1 98 VAL MG1 6.000 . 7.000 4.871 3.326 5.588 . 0 0 "[ . 1 . 2]" 1
1391 1 78 TYR QE 1 98 VAL MG1 6.000 . 7.000 6.367 4.595 7.107 0.107 12 0 "[ . 1 . 2]" 1
1392 1 82 ILE MD 1 100 GLN HB2 5.500 . 6.500 3.975 2.764 5.508 . 0 0 "[ . 1 . 2]" 1
1393 1 82 ILE MD 1 100 GLN HB3 5.500 . 6.500 3.608 1.835 5.611 . 0 0 "[ . 1 . 2]" 1
1394 1 82 ILE MD 1 100 GLN HE21 5.500 . 6.500 3.694 2.345 4.694 . 0 0 "[ . 1 . 2]" 1
1395 1 82 ILE MD 1 100 GLN HE22 5.500 . 6.500 3.809 1.795 5.904 0.005 2 0 "[ . 1 . 2]" 1
1396 1 82 ILE MD 1 100 GLN HG2 5.500 . 6.500 3.633 1.975 5.287 . 0 0 "[ . 1 . 2]" 1
1397 1 82 ILE MD 1 100 GLN HG3 5.500 . 6.500 4.080 2.768 5.840 . 0 0 "[ . 1 . 2]" 1
1398 1 84 PRO HD3 1 101 GLY HA2 4.000 . 5.000 3.918 3.046 4.364 . 0 0 "[ . 1 . 2]" 1
1399 1 84 PRO HD3 1 101 GLY HA3 5.000 . 6.000 5.615 4.777 6.027 0.027 17 0 "[ . 1 . 2]" 1
1400 1 84 PRO HG2 1 101 GLY HA3 5.000 . 6.000 4.649 3.662 5.343 . 0 0 "[ . 1 . 2]" 1
1401 1 84 PRO HG2 1 102 LEU H 4.000 . 5.000 4.019 3.043 5.047 0.047 2 0 "[ . 1 . 2]" 1
1402 1 85 THR MG 1 99 HIS H 5.500 . 6.500 4.518 3.382 5.494 . 0 0 "[ . 1 . 2]" 1
1403 1 85 THR HA 1 100 GLN HA 3.000 . 3.500 2.220 1.788 2.573 0.012 12 0 "[ . 1 . 2]" 1
1404 1 85 THR HA 1 100 GLN HB2 5.000 . 6.000 4.576 2.883 5.515 . 0 0 "[ . 1 . 2]" 1
1405 1 85 THR HA 1 100 GLN HB3 5.000 . 6.000 4.150 2.350 5.462 . 0 0 "[ . 1 . 2]" 1
1406 1 85 THR HA 1 100 GLN HG2 4.000 . 5.000 4.190 2.359 5.162 0.162 19 0 "[ . 1 . 2]" 1
1407 1 85 THR HA 1 100 GLN HG3 4.000 . 5.000 4.167 2.595 5.076 0.076 19 0 "[ . 1 . 2]" 1
1408 1 85 THR MG 1 100 GLN HA 5.500 . 6.500 3.539 2.497 4.654 . 0 0 "[ . 1 . 2]" 1
1409 1 85 THR MG 1 100 GLN HG2 5.500 . 6.500 3.556 1.748 5.647 0.052 1 0 "[ . 1 . 2]" 1
1410 1 85 THR MG 1 100 GLN HG3 5.500 . 6.500 3.527 1.775 5.016 0.025 13 0 "[ . 1 . 2]" 1
1411 1 85 THR HA 1 101 GLY H 4.000 . 5.000 3.116 2.556 3.707 . 0 0 "[ . 1 . 2]" 1
1412 1 86 THR HB 1 99 HIS HB2 5.000 . 6.000 5.079 3.875 6.157 0.157 17 0 "[ . 1 . 2]" 1
1413 1 86 THR H 1 100 GLN HA 5.000 . 6.000 3.239 2.564 3.684 . 0 0 "[ . 1 . 2]" 1
1414 1 86 THR HB 1 103 MET ME 5.500 . 6.500 4.247 2.694 6.198 . 0 0 "[ . 1 . 2]" 1
1415 1 86 THR MG 1 103 MET ME 6.000 . 7.000 3.586 2.007 5.675 . 0 0 "[ . 1 . 2]" 1
1416 1 86 THR MG 1 108 ILE HG12 5.500 . 6.500 4.422 3.780 5.294 . 0 0 "[ . 1 . 2]" 1
1417 1 87 VAL MG2 1 95 LYS HA 5.500 . 6.500 4.560 2.792 5.934 . 0 0 "[ . 1 . 2]" 1
1418 1 87 VAL MG2 1 95 LYS HB3 5.500 . 6.500 4.773 2.708 6.526 0.026 13 0 "[ . 1 . 2]" 1
1419 1 87 VAL MG2 1 95 LYS HD2 5.500 . 6.500 4.445 2.143 6.230 . 0 0 "[ . 1 . 2]" 1
1420 1 87 VAL MG2 1 95 LYS HD3 5.500 . 6.500 4.562 2.494 6.510 0.010 8 0 "[ . 1 . 2]" 1
1421 1 87 VAL MG2 1 95 LYS HE2 5.500 . 6.500 4.706 3.110 6.442 . 0 0 "[ . 1 . 2]" 1
1422 1 87 VAL MG2 1 95 LYS HG2 4.000 . 5.000 4.158 2.471 5.004 0.004 13 0 "[ . 1 . 2]" 1
1423 1 87 VAL MG2 1 95 LYS HG3 5.500 . 6.500 4.344 1.869 6.020 . 0 0 "[ . 1 . 2]" 1
1424 1 87 VAL HA 1 98 VAL HA 3.500 . 4.000 2.184 1.794 2.471 0.006 17 0 "[ . 1 . 2]" 1
1425 1 87 VAL HA 1 98 VAL MG1 5.000 . 6.000 3.395 2.270 4.556 . 0 0 "[ . 1 . 2]" 1
1426 1 87 VAL MG2 1 98 VAL HA 5.500 . 6.500 3.866 2.433 5.054 . 0 0 "[ . 1 . 2]" 1
1427 1 87 VAL MG2 1 98 VAL MG1 6.000 . 7.000 3.354 1.781 5.431 0.019 1 0 "[ . 1 . 2]" 1
1428 1 87 VAL HA 1 99 HIS H 4.000 . 5.000 3.419 2.937 3.872 . 0 0 "[ . 1 . 2]" 1
1429 1 88 PHE HB2 1 97 TYR HB2 5.000 . 6.000 4.068 3.635 4.450 . 0 0 "[ . 1 . 2]" 1
1430 1 88 PHE HB2 1 97 TYR HB3 5.000 . 6.000 2.451 2.074 2.801 . 0 0 "[ . 1 . 2]" 1
1431 1 88 PHE HB2 1 97 TYR H 4.000 . 5.000 2.916 2.554 3.229 . 0 0 "[ . 1 . 2]" 1
1432 1 88 PHE HB3 1 97 TYR H 4.000 . 5.000 4.196 3.903 4.500 . 0 0 "[ . 1 . 2]" 1
1433 1 88 PHE QD 1 97 TYR HB3 5.500 . 6.500 3.125 2.415 3.594 . 0 0 "[ . 1 . 2]" 1
1434 1 88 PHE QD 1 97 TYR QD 6.000 . 7.000 2.178 1.811 2.733 . 0 0 "[ . 1 . 2]" 1
1435 1 88 PHE H 1 97 TYR H 4.000 . 5.000 3.390 2.943 3.812 . 0 0 "[ . 1 . 2]" 1
1436 1 88 PHE QD 1 98 VAL HA 5.500 . 6.500 3.330 2.633 3.785 . 0 0 "[ . 1 . 2]" 1
1437 1 88 PHE H 1 98 VAL MG1 5.500 . 6.500 4.311 3.393 5.306 . 0 0 "[ . 1 . 2]" 1
1438 1 88 PHE QD 1 103 MET ME 6.000 . 7.000 4.626 3.959 5.674 . 0 0 "[ . 1 . 2]" 1
1439 1 88 PHE QE 1 103 MET ME 5.000 2.300 6.000 2.886 2.272 4.076 0.028 6 0 "[ . 1 . 2]" 1
1440 1 88 PHE QD 1 108 ILE MG 6.000 . 7.000 4.013 3.428 4.560 . 0 0 "[ . 1 . 2]" 1
1441 1 88 PHE QE 1 108 ILE HA 5.500 . 6.500 3.575 3.019 4.195 . 0 0 "[ . 1 . 2]" 1
1442 1 88 PHE QE 1 108 ILE HG12 5.500 . 6.500 3.935 3.049 4.552 . 0 0 "[ . 1 . 2]" 1
1443 1 88 PHE QE 1 108 ILE HG13 5.500 . 6.500 5.278 4.486 5.898 . 0 0 "[ . 1 . 2]" 1
1444 1 88 PHE QE 1 108 ILE MG 6.000 . 7.000 2.142 1.797 2.750 0.003 2 0 "[ . 1 . 2]" 1
1445 1 88 PHE HA 1 111 ILE MG 5.500 . 6.500 4.871 4.398 5.322 . 0 0 "[ . 1 . 2]" 1
1446 1 88 PHE HB2 1 111 ILE MG 5.500 . 6.500 3.178 2.721 3.704 . 0 0 "[ . 1 . 2]" 1
1447 1 88 PHE QD 1 111 ILE MD 6.000 . 7.000 4.698 3.819 5.332 . 0 0 "[ . 1 . 2]" 1
1448 1 88 PHE QD 1 111 ILE MG 6.000 . 7.000 2.793 2.610 2.971 . 0 0 "[ . 1 . 2]" 1
1449 1 88 PHE QE 1 111 ILE HB 5.500 . 6.500 3.685 3.137 4.149 . 0 0 "[ . 1 . 2]" 1
1450 1 88 PHE QE 1 111 ILE MD 6.000 . 7.000 4.328 2.569 4.923 . 0 0 "[ . 1 . 2]" 1
1451 1 88 PHE QE 1 111 ILE HG12 5.500 . 6.500 4.895 3.621 5.675 . 0 0 "[ . 1 . 2]" 1
1452 1 88 PHE QE 1 111 ILE HG13 5.500 . 6.500 4.085 3.447 5.590 . 0 0 "[ . 1 . 2]" 1
1453 1 88 PHE QD 1 112 LEU MD2 6.000 . 7.000 2.434 1.913 3.917 . 0 0 "[ . 1 . 2]" 1
1454 1 88 PHE HB2 1 115 LEU MD2 5.500 . 6.500 3.105 2.241 3.681 . 0 0 "[ . 1 . 2]" 1
1455 1 88 PHE HB3 1 115 LEU MD2 5.500 . 6.500 2.024 1.745 2.546 0.055 19 0 "[ . 1 . 2]" 1
1456 1 88 PHE QD 1 115 LEU MD2 6.000 . 7.000 3.070 2.216 4.031 . 0 0 "[ . 1 . 2]" 1
1457 1 89 LEU HA 1 95 LYS HA 3.500 . 4.000 2.716 2.183 3.194 . 0 0 "[ . 1 . 2]" 1
1458 1 89 LEU MD2 1 95 LYS HA 4.000 . 5.000 2.800 1.774 4.031 0.026 13 0 "[ . 1 . 2]" 1
1459 1 89 LEU MD2 1 95 LYS HB2 5.500 . 6.500 3.790 2.322 4.999 . 0 0 "[ . 1 . 2]" 1
1460 1 89 LEU MD2 1 95 LYS HB3 5.500 . 6.500 3.970 2.856 6.199 . 0 0 "[ . 1 . 2]" 1
1461 1 89 LEU MD2 1 95 LYS HG2 5.500 . 6.500 3.451 2.065 5.751 . 0 0 "[ . 1 . 2]" 1
1462 1 89 LEU MD2 1 95 LYS HG3 5.500 . 6.500 3.576 2.284 5.777 . 0 0 "[ . 1 . 2]" 1
1463 1 89 LEU HA 1 96 PHE H 4.000 . 5.000 2.684 2.436 2.907 . 0 0 "[ . 1 . 2]" 1
1464 1 89 LEU HB3 1 96 PHE H 5.000 . 6.000 4.880 4.659 5.232 . 0 0 "[ . 1 . 2]" 1
1465 1 89 LEU MD2 1 96 PHE H 5.500 . 6.500 4.220 2.842 5.298 . 0 0 "[ . 1 . 2]" 1
1466 1 90 ASP H 1 96 PHE HB2 4.000 . 5.000 3.798 3.326 4.249 . 0 0 "[ . 1 . 2]" 1
1467 1 90 ASP H 1 96 PHE H 5.000 . 6.000 3.707 3.163 4.301 . 0 0 "[ . 1 . 2]" 1
1468 1 90 ASP HA 1 115 LEU MD1 5.000 . 6.000 3.089 2.238 4.393 . 0 0 "[ . 1 . 2]" 1
1469 1 90 ASP HA 1 115 LEU MD2 5.500 . 6.500 3.118 2.179 4.225 . 0 0 "[ . 1 . 2]" 1
1470 1 90 ASP HB2 1 115 LEU MD1 5.000 . 6.000 3.248 2.085 5.270 . 0 0 "[ . 1 . 2]" 1
1471 1 90 ASP HB3 1 115 LEU MD1 5.000 . 6.000 4.268 3.312 5.546 . 0 0 "[ . 1 . 2]" 1
1472 1 90 ASP HA 1 116 GLY H 4.000 . 5.000 5.070 4.764 5.182 0.182 5 0 "[ . 1 . 2]" 1
1473 1 90 ASP HA 1 117 VAL H 3.500 . 4.000 4.002 3.554 4.316 0.316 3 0 "[ . 1 . 2]" 1
1474 1 91 LYS HB3 1 118 LYS H 3.000 . 3.500 3.322 2.682 3.708 0.208 5 0 "[ . 1 . 2]" 1
1475 1 96 PHE QE 1 111 ILE MD 6.000 . 7.000 5.578 3.865 6.656 . 0 0 "[ . 1 . 2]" 1
1476 1 96 PHE QE 1 111 ILE MG 6.000 . 7.000 4.657 3.387 5.523 . 0 0 "[ . 1 . 2]" 1
1477 1 96 PHE QE 1 114 SER HB2 5.500 . 6.500 4.052 2.613 6.320 . 0 0 "[ . 1 . 2]" 1
1478 1 96 PHE QE 1 114 SER HB3 5.500 . 6.500 3.759 2.784 6.404 . 0 0 "[ . 1 . 2]" 1
1479 1 96 PHE HA 1 115 LEU MD1 5.500 . 6.500 4.961 4.177 6.536 0.036 16 0 "[ . 1 . 2]" 1
1480 1 96 PHE HB2 1 115 LEU MD1 5.500 . 6.500 3.326 2.301 5.065 . 0 0 "[ . 1 . 2]" 1
1481 1 96 PHE HB2 1 115 LEU MD2 5.500 . 6.500 4.464 2.832 5.340 . 0 0 "[ . 1 . 2]" 1
1482 1 96 PHE HB3 1 115 LEU MD1 5.500 . 6.500 2.581 1.899 4.117 . 0 0 "[ . 1 . 2]" 1
1483 1 96 PHE QD 1 115 LEU MD1 6.000 . 7.000 3.028 2.106 4.682 . 0 0 "[ . 1 . 2]" 1
1484 1 97 TYR QD 1 103 MET ME 6.000 . 7.000 4.649 3.943 5.466 . 0 0 "[ . 1 . 2]" 1
1485 1 97 TYR QE 1 103 MET ME 5.000 2.300 6.000 3.617 2.663 4.838 . 0 0 "[ . 1 . 2]" 1
1486 1 97 TYR HB2 1 111 ILE MG 5.500 . 6.500 3.773 3.067 4.252 . 0 0 "[ . 1 . 2]" 1
1487 1 97 TYR HB3 1 111 ILE MG 5.500 . 6.500 2.980 2.571 3.358 . 0 0 "[ . 1 . 2]" 1
1488 1 97 TYR QD 1 111 ILE MD 6.000 . 7.000 3.278 2.721 4.397 . 0 0 "[ . 1 . 2]" 1
1489 1 97 TYR QD 1 111 ILE MG 6.000 . 7.000 2.291 1.985 2.808 . 0 0 "[ . 1 . 2]" 1
1490 1 97 TYR QE 1 111 ILE MD 6.000 . 7.000 2.884 2.036 3.542 . 0 0 "[ . 1 . 2]" 1
1491 1 103 MET ME 1 111 ILE MD 6.000 . 7.000 3.507 1.767 5.346 0.033 6 0 "[ . 1 . 2]" 1
1492 1 103 MET ME 1 111 ILE HG12 5.500 . 6.500 3.747 2.395 5.627 . 0 0 "[ . 1 . 2]" 1
1493 1 103 MET ME 1 111 ILE HG13 5.000 . 6.000 3.193 1.782 5.228 0.018 20 0 "[ . 1 . 2]" 1
1494 1 103 MET ME 1 111 ILE MG 6.000 . 7.000 3.823 3.139 4.753 . 0 0 "[ . 1 . 2]" 1
1495 1 9 ILE MG 1 18 GLU QG 5.500 . 6.500 4.921 2.510 6.575 0.075 12 0 "[ . 1 . 2]" 1
1496 1 14 ILE MD 1 53 LYS QB 5.000 . 6.000 4.334 2.554 5.777 . 0 0 "[ . 1 . 2]" 1
1497 1 14 ILE MD 1 53 LYS QD 5.500 . 6.500 4.533 1.896 6.617 0.117 14 0 "[ . 1 . 2]" 1
1498 1 14 ILE MD 1 56 GLU QB 5.000 . 6.000 4.726 2.986 6.060 0.060 18 0 "[ . 1 . 2]" 1
1499 1 14 ILE MD 1 56 GLU QG 5.500 . 6.500 4.635 1.998 6.530 0.030 12 0 "[ . 1 . 2]" 1
1500 1 14 ILE MG 1 56 GLU QB 5.000 . 6.000 4.046 2.744 6.017 0.017 18 0 "[ . 1 . 2]" 1
1501 1 14 ILE MG 1 56 GLU QG 4.000 . 5.000 4.257 2.453 5.183 0.183 8 0 "[ . 1 . 2]" 1
1502 1 15 ASN QB 1 60 ASN HA 4.000 . 5.000 2.733 2.030 3.389 . 0 0 "[ . 1 . 2]" 1
1503 1 15 ASN QB 1 61 ILE MD 5.500 . 6.500 2.816 2.036 4.391 . 0 0 "[ . 1 . 2]" 1
1504 1 15 ASN QB 1 61 ILE H 4.000 . 5.000 3.161 2.605 3.722 . 0 0 "[ . 1 . 2]" 1
1505 1 16 VAL QG 1 61 ILE H 4.000 . 5.000 4.363 3.359 5.029 0.029 7 0 "[ . 1 . 2]" 1
1506 1 20 LEU MD1 1 62 TYR QB 5.500 . 6.500 5.153 3.077 6.552 0.052 19 0 "[ . 1 . 2]" 1
1507 1 20 LEU MD2 1 62 TYR QB 5.000 . 6.000 3.717 3.012 4.623 . 0 0 "[ . 1 . 2]" 1
1508 1 20 LEU H 1 62 TYR QB 4.000 . 5.000 5.048 4.369 5.204 0.204 4 0 "[ . 1 . 2]" 1
1509 1 28 PRO QD 1 59 PHE HA 5.000 . 6.000 2.779 2.338 3.191 . 0 0 "[ . 1 . 2]" 1
1510 1 28 PRO QD 1 91 LYS HA 4.000 . 5.000 3.363 2.754 4.708 . 0 0 "[ . 1 . 2]" 1
1511 1 28 PRO QD 1 117 VAL MG2 5.500 . 6.500 3.707 2.826 4.175 . 0 0 "[ . 1 . 2]" 1
1512 1 28 PRO HG3 1 117 VAL QG 5.000 . 6.000 3.495 2.559 4.212 . 0 0 "[ . 1 . 2]" 1
1513 1 29 THR MG 1 62 TYR QB 5.500 . 6.500 2.690 2.338 3.173 . 0 0 "[ . 1 . 2]" 1
1514 1 31 ILE MD 1 62 TYR QB 5.500 . 6.500 3.025 1.779 3.464 0.021 19 0 "[ . 1 . 2]" 1
1515 1 32 MET ME 1 41 CYS QB 4.000 . 5.000 3.045 2.118 3.791 . 0 0 "[ . 1 . 2]" 1
1516 1 33 PHE QB 1 64 ALA MB 5.500 . 6.500 3.268 3.015 3.500 . 0 0 "[ . 1 . 2]" 1
1517 1 33 PHE QB 1 66 LEU MD2 5.500 . 6.500 4.146 2.058 5.422 . 0 0 "[ . 1 . 2]" 1
1518 1 33 PHE QE 1 74 LEU QB 5.000 . 6.000 2.762 2.034 3.431 . 0 0 "[ . 1 . 2]" 1
1519 1 33 PHE QB 1 80 ALA MB 5.500 . 6.500 2.812 2.253 3.822 . 0 0 "[ . 1 . 2]" 1
1520 1 33 PHE QB 1 83 VAL MG1 5.000 . 6.000 3.044 2.215 5.396 . 0 0 "[ . 1 . 2]" 1
1521 1 33 PHE QB 1 85 THR HB 4.000 . 5.000 3.287 1.827 4.498 . 0 0 "[ . 1 . 2]" 1
1522 1 33 PHE QB 1 85 THR H 4.000 . 5.000 2.894 2.251 3.645 . 0 0 "[ . 1 . 2]" 1
1523 1 34 LYS HA 1 41 CYS QB 4.000 . 5.000 4.085 2.815 5.030 0.030 18 0 "[ . 1 . 2]" 1
1524 1 34 LYS HB3 1 41 CYS QB 4.000 . 5.000 3.216 2.623 4.074 . 0 0 "[ . 1 . 2]" 1
1525 1 34 LYS QE 1 64 ALA H 4.000 . 5.000 4.332 2.991 5.180 0.180 19 0 "[ . 1 . 2]" 1
1526 1 34 LYS QE 1 65 ARG HA 4.000 . 5.000 2.784 1.695 4.223 0.105 19 0 "[ . 1 . 2]" 1
1527 1 34 LYS QE 1 65 ARG QD 5.000 . 6.000 3.798 2.557 5.554 . 0 0 "[ . 1 . 2]" 1
1528 1 34 LYS QE 1 65 ARG HG2 3.500 . 4.000 3.798 2.640 4.111 0.111 15 0 "[ . 1 . 2]" 1
1529 1 34 LYS QG 1 65 ARG HA 3.500 . 4.000 2.570 1.711 3.850 0.089 12 0 "[ . 1 . 2]" 1
1530 1 40 TYR QB 1 84 PRO HD2 4.000 . 5.000 4.454 3.545 5.069 0.069 16 0 "[ . 1 . 2]" 1
1531 1 40 TYR QB 1 84 PRO HD3 4.000 . 5.000 3.316 2.064 4.255 . 0 0 "[ . 1 . 2]" 1
1532 1 40 TYR QB 1 84 PRO HG2 5.000 . 6.000 3.649 3.014 4.725 . 0 0 "[ . 1 . 2]" 1
1533 1 40 TYR QB 1 84 PRO HG3 5.000 . 6.000 2.402 1.754 3.407 0.046 6 0 "[ . 1 . 2]" 1
1534 1 40 TYR QB 1 102 LEU MD2 5.500 . 6.500 3.892 2.707 4.787 . 0 0 "[ . 1 . 2]" 1
1535 1 47 GLU QG 1 102 LEU MD1 5.500 . 6.500 3.929 3.076 5.705 . 0 0 "[ . 1 . 2]" 1
1536 1 47 GLU QG 1 102 LEU MD2 5.500 . 6.500 4.635 3.321 5.099 . 0 0 "[ . 1 . 2]" 1
1537 1 47 GLU QG 1 104 ARG QD 3.500 . 4.000 2.828 2.161 3.738 . 0 0 "[ . 1 . 2]" 1
1538 1 47 GLU HA 1 105 LYS QD 5.000 . 6.000 4.351 3.263 5.785 . 0 0 "[ . 1 . 2]" 1
1539 1 47 GLU QG 1 105 LYS H 4.000 . 5.000 3.174 2.735 3.592 . 0 0 "[ . 1 . 2]" 1
1540 1 50 TYR QB 1 105 LYS HB2 5.000 . 6.000 3.129 2.501 4.128 . 0 0 "[ . 1 . 2]" 1
1541 1 50 TYR QB 1 105 LYS QD 3.000 . 3.500 2.324 1.702 3.607 0.107 16 0 "[ . 1 . 2]" 1
1542 1 50 TYR QB 1 105 LYS HE2 4.000 . 5.000 2.837 1.739 4.478 0.061 4 0 "[ . 1 . 2]" 1
1543 1 50 TYR QB 1 105 LYS HE3 4.000 . 5.000 2.794 1.946 3.996 . 0 0 "[ . 1 . 2]" 1
1544 1 50 TYR QB 1 105 LYS QG 4.000 . 5.000 3.496 2.727 4.645 . 0 0 "[ . 1 . 2]" 1
1545 1 50 TYR QD 1 105 LYS QD 5.000 . 6.000 3.554 2.743 5.159 . 0 0 "[ . 1 . 2]" 1
1546 1 51 VAL HA 1 105 LYS QD 5.000 . 6.000 4.229 3.223 5.629 . 0 0 "[ . 1 . 2]" 1
1547 1 51 VAL MG1 1 105 LYS QD 5.000 . 6.000 5.074 4.130 6.078 0.078 17 0 "[ . 1 . 2]" 1
1548 1 58 LYS HB3 1 117 VAL QG 5.000 . 6.000 2.518 1.852 3.701 . 0 0 "[ . 1 . 2]" 1
1549 1 59 PHE QD 1 117 VAL QG 5.500 . 6.500 2.908 1.917 3.975 . 0 0 "[ . 1 . 2]" 1
1550 1 59 PHE QE 1 117 VAL QG 5.500 . 6.500 4.091 2.890 5.300 . 0 0 "[ . 1 . 2]" 1
1551 1 62 TYR QE 1 74 LEU QB 5.500 . 6.500 3.752 3.005 4.378 . 0 0 "[ . 1 . 2]" 1
1552 1 91 LYS HB2 1 118 LYS QE 5.000 . 6.000 5.223 3.858 6.131 0.131 3 0 "[ . 1 . 2]" 1
1553 1 91 LYS HB3 1 118 LYS QE 5.000 . 6.000 4.331 3.155 5.191 . 0 0 "[ . 1 . 2]" 1
1554 1 91 LYS HD2 1 118 LYS QE 3.000 . 3.500 3.373 2.441 3.697 0.197 15 0 "[ . 1 . 2]" 1
1555 1 91 LYS HD3 1 118 LYS QE 3.000 . 3.500 2.862 2.006 3.643 0.143 5 0 "[ . 1 . 2]" 1
1556 1 31 ILE HA 1 64 ALA MB 5.500 . 6.500 4.454 3.831 4.877 . 0 0 "[ . 1 . 2]" 1
1557 1 17 VAL MG2 1 60 ASN HB3 4.500 . 5.500 3.307 1.754 5.585 0.085 6 0 "[ . 1 . 2]" 1
1558 1 30 ILE MG 1 108 ILE MD 6.000 . 7.000 4.444 3.975 4.963 . 0 0 "[ . 1 . 2]" 1
1559 1 45 GLN HG2 1 61 ILE MG 5.500 . 6.500 4.928 4.387 6.548 0.048 4 0 "[ . 1 . 2]" 1
1560 1 31 ILE MG 1 62 TYR QE 5.000 . 6.000 2.978 2.412 3.532 . 0 0 "[ . 1 . 2]" 1
1561 1 32 MET HB3 1 63 TYR HA 5.000 . 6.000 4.698 2.884 5.513 . 0 0 "[ . 1 . 2]" 1
1562 1 44 MET ME 1 104 ARG H 5.500 . 6.500 5.661 4.706 6.475 . 0 0 "[ . 1 . 2]" 1
1563 1 32 MET HB3 1 61 ILE MG 5.500 . 6.500 4.067 2.854 4.908 . 0 0 "[ . 1 . 2]" 1
1564 1 17 VAL H 1 63 TYR H 4.000 . 5.000 3.661 3.274 4.141 . 0 0 "[ . 1 . 2]" 1
1565 1 51 VAL MG1 1 109 GLU HA 5.000 . 6.000 3.386 2.799 4.239 . 0 0 "[ . 1 . 2]" 1
1566 1 40 TYR QB 1 102 LEU MD1 5.000 . 6.000 3.089 2.049 5.050 . 0 0 "[ . 1 . 2]" 1
1567 1 27 ILE MG 1 59 PHE H 5.000 . 6.000 3.923 3.546 4.451 . 0 0 "[ . 1 . 2]" 1
1568 1 19 ASN HD21 1 74 LEU HG 5.000 . 6.000 5.567 3.790 6.103 0.103 1 0 "[ . 1 . 2]" 1
1569 1 64 ALA MB 1 74 LEU MD2 6.000 . 7.000 4.889 4.490 5.388 . 0 0 "[ . 1 . 2]" 1
1570 1 27 ILE MG 1 60 ASN H 4.000 . 5.000 4.863 4.129 5.143 0.143 17 0 "[ . 1 . 2]" 1
1571 1 31 ILE MG 1 74 LEU HG 5.500 . 6.500 4.400 3.897 5.249 . 0 0 "[ . 1 . 2]" 1
1572 1 51 VAL HB 1 59 PHE HZ 5.000 . 6.000 2.853 2.069 3.964 . 0 0 "[ . 1 . 2]" 1
1573 1 15 ASN HD22 1 59 PHE QE 5.000 . 6.000 4.163 3.132 6.055 0.055 4 0 "[ . 1 . 2]" 1
1574 1 15 ASN HD22 1 56 GLU HA 4.000 . 5.000 3.181 1.753 5.077 0.077 18 0 "[ . 1 . 2]" 1
1575 1 30 ILE MG 1 88 PHE QE 5.000 . 6.000 2.969 2.518 3.414 . 0 0 "[ . 1 . 2]" 1
1576 1 32 MET HB2 1 86 THR HA 5.000 . 6.000 3.685 3.260 4.093 . 0 0 "[ . 1 . 2]" 1
1577 1 17 VAL MG2 1 23 ALA MB 4.000 . 5.000 2.729 1.763 3.691 0.037 1 0 "[ . 1 . 2]" 1
1578 1 51 VAL MG1 1 105 LYS HB2 4.500 . 5.500 4.970 3.998 5.634 0.134 13 0 "[ . 1 . 2]" 1
1579 1 66 LEU MD1 1 75 ALA MB 4.500 . 5.500 2.852 2.194 3.479 . 0 0 "[ . 1 . 2]" 1
1580 1 48 LEU MD2 1 88 PHE QE 5.000 . 6.000 4.202 3.531 4.877 . 0 0 "[ . 1 . 2]" 1
1581 1 33 PHE QB 1 85 THR MG 5.000 . 6.000 3.143 1.798 4.475 0.002 3 0 "[ . 1 . 2]" 1
1582 1 29 THR HB 1 89 LEU MD2 5.000 . 6.000 3.561 2.385 4.784 . 0 0 "[ . 1 . 2]" 1
1583 1 78 TYR QE 1 95 LYS HG2 5.000 . 6.000 3.958 2.394 6.006 0.006 13 0 "[ . 1 . 2]" 1
1584 1 31 ILE HG13 1 62 TYR QE 5.000 . 6.000 5.538 4.887 6.025 0.025 20 0 "[ . 1 . 2]" 1
1585 1 20 LEU MD2 1 62 TYR QE 5.500 . 6.500 3.094 1.796 4.158 0.004 11 0 "[ . 1 . 2]" 1
1586 1 30 ILE HG13 1 88 PHE QE 5.000 . 6.000 4.022 2.882 5.031 . 0 0 "[ . 1 . 2]" 1
1587 1 18 GLU HA 1 62 TYR QE 5.000 . 6.000 4.791 3.829 5.615 . 0 0 "[ . 1 . 2]" 1
1588 1 34 LYS HB2 1 41 CYS QB 4.000 . 5.000 2.490 1.747 3.421 0.053 2 0 "[ . 1 . 2]" 1
1589 1 47 GLU HG3 1 105 LYS HB3 5.000 . 6.000 5.157 4.051 6.035 0.035 1 0 "[ . 1 . 2]" 1
1590 1 50 TYR QD 1 105 LYS HB2 5.000 . 6.000 3.941 2.410 5.400 . 0 0 "[ . 1 . 2]" 1
1591 1 88 PHE HA 1 115 LEU MD2 5.000 . 6.000 3.616 3.007 4.203 . 0 0 "[ . 1 . 2]" 1
1592 1 50 TYR HA 1 105 LYS HE3 5.000 . 6.000 4.947 4.060 6.144 0.144 20 0 "[ . 1 . 2]" 1
1593 1 33 PHE QD 1 74 LEU QB 4.500 . 5.500 4.356 3.781 4.918 . 0 0 "[ . 1 . 2]" 1
1594 1 64 ALA MB 1 74 LEU QB 5.000 . 6.000 3.479 3.116 3.927 . 0 0 "[ . 1 . 2]" 1
1595 1 64 ALA MB 1 74 LEU HG 5.000 . 6.000 3.994 3.508 4.566 . 0 0 "[ . 1 . 2]" 1
1596 1 66 LEU MD1 1 80 ALA MB 6.000 . 7.000 4.263 3.648 5.346 . 0 0 "[ . 1 . 2]" 1
1597 1 17 VAL MG1 1 60 ASN HB2 5.000 . 6.000 4.335 2.493 5.547 . 0 0 "[ . 1 . 2]" 1
1598 1 19 ASN HB2 1 62 TYR QE 5.000 . 6.000 3.680 3.139 4.690 . 0 0 "[ . 1 . 2]" 1
1599 1 87 VAL H 1 99 HIS H 5.000 . 6.000 4.840 4.427 5.071 . 0 0 "[ . 1 . 2]" 1
1600 1 55 ARG HD3 1 117 VAL MG1 5.500 . 6.500 4.120 2.051 6.284 . 0 0 "[ . 1 . 2]" 1
1601 1 30 ILE MD 1 60 ASN H 5.000 . 6.000 4.503 3.024 5.935 . 0 0 "[ . 1 . 2]" 1
1602 1 26 GLY H 1 119 GLU HG2 4.000 . 5.000 4.990 4.391 5.195 0.195 5 0 "[ . 1 . 2]" 1
1603 1 84 PRO HG2 1 101 GLY H 4.000 . 5.000 3.614 2.744 4.314 . 0 0 "[ . 1 . 2]" 1
1604 1 88 PHE HZ 1 108 ILE MD 5.500 . 6.500 4.502 4.084 5.311 . 0 0 "[ . 1 . 2]" 1
1605 1 84 PRO HG2 1 101 GLY HA2 5.000 . 6.000 3.421 2.217 4.381 . 0 0 "[ . 1 . 2]" 1
1606 1 88 PHE QE 1 111 ILE MG 5.500 . 6.500 3.043 2.568 3.386 . 0 0 "[ . 1 . 2]" 1
1607 1 19 ASN HD22 1 74 LEU HG 4.000 . 5.000 4.571 3.817 5.037 0.037 12 0 "[ . 1 . 2]" 1
1608 1 13 SER HB3 1 61 ILE MD 5.000 . 6.000 3.797 1.870 6.068 0.068 19 0 "[ . 1 . 2]" 1
1609 1 44 MET HA 1 108 ILE MD 5.500 . 6.500 4.052 3.516 4.607 . 0 0 "[ . 1 . 2]" 1
1610 1 44 MET ME 1 99 HIS HD2 5.500 . 6.500 4.814 3.706 5.941 . 0 0 "[ . 1 . 2]" 1
1611 1 30 ILE HA 1 89 LEU MD2 5.000 . 6.000 5.332 3.315 5.885 . 0 0 "[ . 1 . 2]" 1
1612 1 85 THR MG 1 98 VAL MG2 5.000 . 6.000 4.222 2.290 6.044 0.044 20 0 "[ . 1 . 2]" 1
1613 1 85 THR HB 1 98 VAL MG2 5.500 . 6.500 5.729 4.439 6.596 0.096 1 0 "[ . 1 . 2]" 1
1614 1 16 VAL HB 1 61 ILE MG 5.500 . 6.500 4.440 3.228 6.372 . 0 0 "[ . 1 . 2]" 1
1615 1 88 PHE QD 1 98 VAL H 5.500 . 6.500 4.747 4.005 5.241 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 43
_Distance_constraint_stats_list.Viol_count 9
_Distance_constraint_stats_list.Viol_total 5.478
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0042
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0304
_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 16 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 MET 0.070 0.027 13 0 "[ . 1 . 2]"
1 33 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LYS 0.157 0.089 13 0 "[ . 1 . 2]"
1 43 GLU 0.023 0.023 10 0 "[ . 1 . 2]"
1 44 MET 0.105 0.027 13 0 "[ . 1 . 2]"
1 45 GLN 0.055 0.026 18 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.012 0.012 10 0 "[ . 1 . 2]"
1 50 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 VAL 0.012 0.012 16 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 0.012 0.012 16 0 "[ . 1 . 2]"
1 61 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.157 0.089 13 0 "[ . 1 . 2]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ARG 0.157 0.089 13 0 "[ . 1 . 2]"
1 66 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 THR 0.027 0.027 13 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 LEU 0.023 0.023 10 0 "[ . 1 . 2]"
1 104 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 ILE MG 1 32 MET HG2 5.000 . 6.000 3.505 2.463 5.379 . 0 0 "[ . 1 . 2]" 2
2 1 30 ILE HB 1 59 PHE QD 5.000 . 6.000 3.148 2.269 4.159 . 0 0 "[ . 1 . 2]" 2
3 1 48 LEU MD1 1 59 PHE QE 5.000 . 6.000 4.329 3.752 5.240 . 0 0 "[ . 1 . 2]" 2
4 1 28 PRO HB2 1 112 LEU MD2 5.000 . 6.000 3.569 2.856 4.838 . 0 0 "[ . 1 . 2]" 2
5 1 43 GLU HG2 1 102 LEU MD1 4.000 . 5.000 2.362 1.777 4.820 0.023 10 0 "[ . 1 . 2]" 2
6 1 44 MET HB2 1 108 ILE MD 5.000 . 6.000 4.050 3.767 4.636 . 0 0 "[ . 1 . 2]" 2
7 1 59 PHE QE 1 112 LEU MD2 5.000 . 6.000 2.667 2.143 3.353 . 0 0 "[ . 1 . 2]" 2
8 1 44 MET HB2 1 48 LEU MD2 5.000 . 6.000 5.405 5.009 6.012 0.012 10 0 "[ . 1 . 2]" 2
9 1 51 VAL H 1 53 LYS H 4.000 . 5.000 3.494 3.354 3.676 . 0 0 "[ . 1 . 2]" 2
10 1 30 ILE MG 1 32 MET HA 5.500 . 6.500 3.868 3.209 4.264 . 0 0 "[ . 1 . 2]" 2
11 1 33 PHE HA 1 85 THR HB 5.000 . 6.000 4.739 3.880 5.644 . 0 0 "[ . 1 . 2]" 2
12 1 84 PRO HG3 1 101 GLY H 4.000 . 5.000 3.870 2.627 4.258 . 0 0 "[ . 1 . 2]" 2
13 1 72 ILE H 1 72 ILE MD 4.000 . 5.000 3.112 2.175 3.306 . 0 0 "[ . 1 . 2]" 2
14 1 32 MET HB2 1 86 THR MG 4.000 . 5.000 2.077 1.773 2.753 0.027 13 0 "[ . 1 . 2]" 2
15 1 78 TYR HB2 1 80 ALA MB 5.000 . 6.000 2.986 2.363 3.391 . 0 0 "[ . 1 . 2]" 2
16 1 88 PHE QE 1 108 ILE H 5.000 . 6.000 5.102 4.681 5.577 . 0 0 "[ . 1 . 2]" 2
17 1 28 PRO HG2 1 112 LEU MD1 5.000 . 6.000 4.569 3.836 5.099 . 0 0 "[ . 1 . 2]" 2
18 1 32 MET HG2 1 86 THR HB 5.000 . 6.000 3.456 2.389 4.427 . 0 0 "[ . 1 . 2]" 2
19 1 33 PHE QD 1 80 ALA MB 5.000 . 6.000 2.675 2.196 3.066 . 0 0 "[ . 1 . 2]" 2
20 1 27 ILE HA 1 59 PHE HA 5.000 . 6.000 3.820 3.256 4.078 . 0 0 "[ . 1 . 2]" 2
21 1 28 PRO HB2 1 117 VAL MG2 5.000 . 6.000 3.163 2.565 3.608 . 0 0 "[ . 1 . 2]" 2
22 1 78 TYR HB2 1 87 VAL MG2 5.000 . 6.000 3.479 2.463 4.160 . 0 0 "[ . 1 . 2]" 2
23 1 70 LYS HG3 1 71 ASN HA 4.500 . 5.500 3.703 2.760 4.291 . 0 0 "[ . 1 . 2]" 2
24 1 30 ILE HA 1 88 PHE HB2 5.000 . 6.000 4.324 4.238 4.386 . 0 0 "[ . 1 . 2]" 2
25 1 88 PHE QD 1 97 TYR HB3 5.000 . 6.000 2.702 2.319 2.916 . 0 0 "[ . 1 . 2]" 2
26 1 47 GLU HB2 1 50 TYR QE 5.500 . 6.500 5.424 4.352 6.353 . 0 0 "[ . 1 . 2]" 2
27 1 111 ILE H 1 114 SER H 4.500 . 5.500 4.443 3.956 4.773 . 0 0 "[ . 1 . 2]" 2
28 1 33 PHE HA 1 64 ALA HA 5.000 . 6.000 4.189 3.894 4.445 . 0 0 "[ . 1 . 2]" 2
29 1 44 MET ME 1 108 ILE MG 5.500 . 6.500 3.490 2.517 4.014 . 0 0 "[ . 1 . 2]" 2
30 1 55 ARG H 1 59 PHE QE 5.000 . 6.000 4.155 3.192 4.885 . 0 0 "[ . 1 . 2]" 2
31 1 30 ILE MG 1 88 PHE QD 5.000 . 6.000 3.115 2.453 3.458 . 0 0 "[ . 1 . 2]" 2
32 1 16 VAL HA 1 61 ILE HA 5.000 . 6.000 4.236 3.850 4.531 . 0 0 "[ . 1 . 2]" 2
33 1 78 TYR HA 1 80 ALA MB 5.500 . 6.500 4.102 3.547 5.016 . 0 0 "[ . 1 . 2]" 2
34 1 30 ILE MD 1 59 PHE QE 5.000 . 6.000 2.938 2.006 4.066 . 0 0 "[ . 1 . 2]" 2
35 1 48 LEU MD1 1 59 PHE QE 5.000 . 6.000 4.169 3.613 4.743 . 0 0 "[ . 1 . 2]" 2
36 1 32 MET HG3 1 63 TYR QE 4.000 . 5.000 3.732 2.634 4.682 . 0 0 "[ . 1 . 2]" 2
37 1 47 GLU HA 1 50 TYR HA 5.000 . 6.000 4.710 4.334 5.153 . 0 0 "[ . 1 . 2]" 2
38 1 32 MET ME 1 44 MET HB2 3.500 . 4.000 3.207 2.514 4.026 0.026 18 0 "[ . 1 . 2]" 2
39 1 47 GLU QG 1 104 ARG HB2 5.000 . 6.000 4.218 3.586 4.845 . 0 0 "[ . 1 . 2]" 2
40 1 50 TYR HA 1 105 LYS QD 5.000 . 6.000 4.140 3.592 4.715 . 0 0 "[ . 1 . 2]" 2
41 1 34 LYS HD3 1 63 TYR HB3 5.000 . 6.000 3.219 1.711 3.868 0.089 13 0 "[ . 1 . 2]" 2
42 1 51 VAL MG1 1 59 PHE QE 5.000 . 6.000 2.122 1.788 2.676 0.012 16 0 "[ . 1 . 2]" 2
43 1 66 LEU HA 1 71 ASN HA 5.000 . 6.000 4.301 3.990 4.648 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 74
_Distance_constraint_stats_list.Viol_count 545
_Distance_constraint_stats_list.Viol_total 513.577
_Distance_constraint_stats_list.Viol_max 0.315
_Distance_constraint_stats_list.Viol_rms 0.0347
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.0471
_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 15 ASN 0.414 0.078 3 0 "[ . 1 . 2]"
1 17 VAL 2.375 0.190 12 0 "[ . 1 . 2]"
1 28 PRO 0.386 0.083 16 0 "[ . 1 . 2]"
1 29 THR 0.389 0.052 11 0 "[ . 1 . 2]"
1 30 ILE 1.192 0.080 20 0 "[ . 1 . 2]"
1 31 ILE 1.310 0.099 13 0 "[ . 1 . 2]"
1 32 MET 0.548 0.061 12 0 "[ . 1 . 2]"
1 33 PHE 0.464 0.060 2 0 "[ . 1 . 2]"
1 34 LYS 0.273 0.055 11 0 "[ . 1 . 2]"
1 41 CYS 0.178 0.069 14 0 "[ . 1 . 2]"
1 42 VAL 0.179 0.071 18 0 "[ . 1 . 2]"
1 43 GLU 1.418 0.101 9 0 "[ . 1 . 2]"
1 44 MET 0.566 0.059 15 0 "[ . 1 . 2]"
1 45 GLN 0.527 0.074 5 0 "[ . 1 . 2]"
1 46 LYS 0.272 0.071 18 0 "[ . 1 . 2]"
1 47 GLU 1.523 0.101 9 0 "[ . 1 . 2]"
1 48 LEU 0.881 0.062 16 0 "[ . 1 . 2]"
1 49 SER 0.760 0.132 5 0 "[ . 1 . 2]"
1 50 TYR 0.093 0.067 3 0 "[ . 1 . 2]"
1 51 VAL 0.105 0.040 5 0 "[ . 1 . 2]"
1 52 SER 0.315 0.062 16 0 "[ . 1 . 2]"
1 53 LYS 0.411 0.132 5 0 "[ . 1 . 2]"
1 60 ASN 1.030 0.083 16 0 "[ . 1 . 2]"
1 61 ILE 0.414 0.078 3 0 "[ . 1 . 2]"
1 62 TYR 0.788 0.080 20 0 "[ . 1 . 2]"
1 63 TYR 2.375 0.190 12 0 "[ . 1 . 2]"
1 64 ALA 0.581 0.059 18 0 "[ . 1 . 2]"
1 70 LYS 1.738 0.163 14 0 "[ . 1 . 2]"
1 71 ASN 0.424 0.063 13 0 "[ . 1 . 2]"
1 72 ILE 0.935 0.095 4 0 "[ . 1 . 2]"
1 73 ASP 0.073 0.030 18 0 "[ . 1 . 2]"
1 74 LEU 1.738 0.163 14 0 "[ . 1 . 2]"
1 75 ALA 0.424 0.063 13 0 "[ . 1 . 2]"
1 76 TYR 0.935 0.095 4 0 "[ . 1 . 2]"
1 77 LYS 0.073 0.030 18 0 "[ . 1 . 2]"
1 85 THR 0.464 0.060 2 0 "[ . 1 . 2]"
1 86 THR 0.818 0.082 12 0 "[ . 1 . 2]"
1 87 VAL 1.310 0.099 13 0 "[ . 1 . 2]"
1 88 PHE 3.728 0.103 15 0 "[ . 1 . 2]"
1 89 LEU 0.389 0.052 11 0 "[ . 1 . 2]"
1 90 ASP 0.635 0.102 12 0 "[ . 1 . 2]"
1 94 ASN 0.635 0.102 12 0 "[ . 1 . 2]"
1 97 TYR 3.728 0.103 15 0 "[ . 1 . 2]"
1 99 HIS 5.382 0.315 14 0 "[ . 1 . 2]"
1 106 ASN 0.061 0.044 4 0 "[ . 1 . 2]"
1 107 ASN 0.190 0.131 6 0 "[ . 1 . 2]"
1 108 ILE 0.382 0.057 14 0 "[ . 1 . 2]"
1 109 GLU 0.194 0.056 19 0 "[ . 1 . 2]"
1 110 THR 0.293 0.065 10 0 "[ . 1 . 2]"
1 111 ILE 0.929 0.131 6 0 "[ . 1 . 2]"
1 112 LEU 0.382 0.057 14 0 "[ . 1 . 2]"
1 113 ASN 0.194 0.056 19 0 "[ . 1 . 2]"
1 114 SER 0.232 0.065 10 0 "[ . 1 . 2]"
1 115 LEU 0.739 0.081 9 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 41 CYS O 1 45 GLN N 2.800 2.800 3.300 2.897 2.731 3.205 0.069 14 0 "[ . 1 . 2]" 3
2 1 41 CYS O 1 45 GLN H 1.800 . 2.300 2.010 1.815 2.307 0.007 10 0 "[ . 1 . 2]" 3
3 1 42 VAL O 1 46 LYS N 2.800 2.800 3.300 3.054 2.870 3.258 . 0 0 "[ . 1 . 2]" 3
4 1 42 VAL O 1 46 LYS H 1.800 . 2.300 2.173 1.964 2.371 0.071 18 0 "[ . 1 . 2]" 3
5 1 43 GLU O 1 47 GLU N 2.800 2.800 3.300 3.270 2.978 3.359 0.059 9 0 "[ . 1 . 2]" 3
6 1 43 GLU O 1 47 GLU H 1.800 . 2.300 2.315 2.025 2.401 0.101 9 0 "[ . 1 . 2]" 3
7 1 44 MET O 1 48 LEU N 2.800 2.800 3.300 2.806 2.741 3.010 0.059 15 0 "[ . 1 . 2]" 3
8 1 44 MET O 1 48 LEU H 1.800 . 2.300 1.845 1.772 2.064 0.028 12 0 "[ . 1 . 2]" 3
9 1 45 GLN O 1 49 SER N 2.800 2.800 3.300 2.815 2.726 2.973 0.074 5 0 "[ . 1 . 2]" 3
10 1 45 GLN O 1 49 SER H 1.800 . 2.300 1.942 1.831 2.136 . 0 0 "[ . 1 . 2]" 3
11 1 46 LYS O 1 50 TYR N 2.800 2.800 3.300 2.991 2.780 3.287 0.020 2 0 "[ . 1 . 2]" 3
12 1 46 LYS O 1 50 TYR H 1.800 . 2.300 2.089 1.864 2.367 0.067 3 0 "[ . 1 . 2]" 3
13 1 47 GLU O 1 51 VAL N 2.800 2.800 3.300 2.969 2.768 3.317 0.032 15 0 "[ . 1 . 2]" 3
14 1 47 GLU O 1 51 VAL H 1.800 . 2.300 2.071 1.839 2.340 0.040 5 0 "[ . 1 . 2]" 3
15 1 48 LEU O 1 52 SER N 2.800 2.800 3.300 2.837 2.738 3.114 0.062 16 0 "[ . 1 . 2]" 3
16 1 48 LEU O 1 52 SER H 1.800 . 2.300 1.910 1.771 2.164 0.029 17 0 "[ . 1 . 2]" 3
17 1 49 SER O 1 53 LYS N 2.800 2.800 3.300 3.045 2.783 3.211 0.017 9 0 "[ . 1 . 2]" 3
18 1 49 SER O 1 53 LYS H 1.800 . 2.300 2.237 1.921 2.432 0.132 5 0 "[ . 1 . 2]" 3
19 1 70 LYS O 1 74 LEU N 2.800 2.800 3.300 3.286 3.102 3.362 0.062 8 0 "[ . 1 . 2]" 3
20 1 70 LYS O 1 74 LEU H 1.800 . 2.300 2.355 2.179 2.463 0.163 14 0 "[ . 1 . 2]" 3
21 1 71 ASN O 1 75 ALA N 2.800 2.800 3.300 2.794 2.737 2.955 0.063 13 0 "[ . 1 . 2]" 3
22 1 71 ASN O 1 75 ALA H 1.800 . 2.300 1.921 1.826 2.102 . 0 0 "[ . 1 . 2]" 3
23 1 72 ILE O 1 76 TYR N 2.800 2.800 3.300 3.247 2.997 3.361 0.061 4 0 "[ . 1 . 2]" 3
24 1 72 ILE O 1 76 TYR H 1.800 . 2.300 2.293 2.050 2.395 0.095 4 0 "[ . 1 . 2]" 3
25 1 73 ASP O 1 77 LYS N 2.800 2.800 3.300 2.903 2.770 3.225 0.030 18 0 "[ . 1 . 2]" 3
26 1 73 ASP O 1 77 LYS H 1.800 . 2.300 2.005 1.867 2.317 0.017 13 0 "[ . 1 . 2]" 3
27 1 106 ASN O 1 110 THR N 2.800 2.800 3.300 2.899 2.756 3.154 0.044 4 0 "[ . 1 . 2]" 3
28 1 106 ASN O 1 110 THR H 1.800 . 2.300 1.977 1.829 2.222 . 0 0 "[ . 1 . 2]" 3
29 1 107 ASN O 1 111 ILE N 2.800 2.800 3.300 3.087 2.910 3.271 . 0 0 "[ . 1 . 2]" 3
30 1 107 ASN O 1 111 ILE H 1.800 . 2.300 2.180 1.973 2.431 0.131 6 0 "[ . 1 . 2]" 3
31 1 108 ILE O 1 112 LEU N 2.800 2.800 3.300 2.861 2.743 3.197 0.057 14 0 "[ . 1 . 2]" 3
32 1 108 ILE O 1 112 LEU H 1.800 . 2.300 1.915 1.779 2.321 0.021 19 0 "[ . 1 . 2]" 3
33 1 109 GLU O 1 113 ASN N 2.800 2.800 3.300 2.978 2.751 3.279 0.049 2 0 "[ . 1 . 2]" 3
34 1 109 GLU O 1 113 ASN H 1.800 . 2.300 2.067 1.834 2.356 0.056 19 0 "[ . 1 . 2]" 3
35 1 110 THR O 1 114 SER N 2.800 2.800 3.300 3.075 2.916 3.250 . 0 0 "[ . 1 . 2]" 3
36 1 110 THR O 1 114 SER H 1.800 . 2.300 2.247 2.052 2.365 0.065 10 0 "[ . 1 . 2]" 3
37 1 111 ILE O 1 115 LEU N 2.800 2.800 3.300 2.821 2.719 3.073 0.081 9 0 "[ . 1 . 2]" 3
38 1 111 ILE O 1 115 LEU H 1.800 . 2.300 2.115 1.805 2.358 0.058 15 0 "[ . 1 . 2]" 3
39 1 29 THR N 1 89 LEU O 2.800 2.800 3.300 3.004 2.797 3.197 0.003 6 0 "[ . 1 . 2]" 3
40 1 29 THR H 1 89 LEU O 1.800 . 2.300 2.230 1.956 2.352 0.052 11 0 "[ . 1 . 2]" 3
41 1 30 ILE N 1 60 ASN O 2.800 2.800 3.300 2.822 2.724 3.230 0.076 2 0 "[ . 1 . 2]" 3
42 1 30 ILE H 1 60 ASN O 1.800 . 2.300 1.871 1.764 2.294 0.036 2 0 "[ . 1 . 2]" 3
43 1 31 ILE N 1 87 VAL O 2.800 2.800 3.300 2.917 2.784 3.105 0.016 13 0 "[ . 1 . 2]" 3
44 1 31 ILE H 1 87 VAL O 1.800 . 2.300 1.958 1.816 2.149 . 0 0 "[ . 1 . 2]" 3
45 1 32 MET N 1 62 TYR O 2.800 2.800 3.300 3.040 2.748 3.327 0.052 13 0 "[ . 1 . 2]" 3
46 1 32 MET H 1 62 TYR O 1.800 . 2.300 2.118 1.805 2.361 0.061 12 0 "[ . 1 . 2]" 3
47 1 33 PHE N 1 85 THR O 2.800 2.800 3.300 2.804 2.740 3.008 0.060 2 0 "[ . 1 . 2]" 3
48 1 33 PHE H 1 85 THR O 1.800 . 2.300 1.857 1.773 2.111 0.027 17 0 "[ . 1 . 2]" 3
49 1 34 LYS N 1 64 ALA O 2.800 2.800 3.300 2.855 2.745 3.089 0.055 11 0 "[ . 1 . 2]" 3
50 1 34 LYS H 1 64 ALA O 1.800 . 2.300 1.904 1.767 2.111 0.033 11 0 "[ . 1 . 2]" 3
51 1 28 PRO O 1 60 ASN N 2.800 2.800 3.300 2.881 2.717 3.200 0.083 16 0 "[ . 1 . 2]" 3
52 1 28 PRO O 1 60 ASN H 1.800 . 2.300 1.958 1.743 2.321 0.057 16 0 "[ . 1 . 2]" 3
53 1 15 ASN O 1 61 ILE N 2.800 2.800 3.300 2.815 2.722 3.097 0.078 3 0 "[ . 1 . 2]" 3
54 1 15 ASN O 1 61 ILE H 1.800 . 2.300 1.884 1.780 2.306 0.020 20 0 "[ . 1 . 2]" 3
55 1 30 ILE O 1 62 TYR N 2.800 2.800 3.300 2.798 2.720 2.907 0.080 20 0 "[ . 1 . 2]" 3
56 1 30 ILE O 1 62 TYR H 1.800 . 2.300 1.900 1.768 2.002 0.032 16 0 "[ . 1 . 2]" 3
57 1 17 VAL O 1 63 TYR N 2.800 2.800 3.300 3.269 2.825 3.418 0.118 12 0 "[ . 1 . 2]" 3
58 1 17 VAL O 1 63 TYR H 1.800 . 2.300 2.329 1.850 2.490 0.190 12 0 "[ . 1 . 2]" 3
59 1 32 MET O 1 64 ALA N 2.800 2.800 3.300 2.859 2.741 3.101 0.059 18 0 "[ . 1 . 2]" 3
60 1 32 MET O 1 64 ALA H 1.800 . 2.300 1.988 1.785 2.326 0.026 4 0 "[ . 1 . 2]" 3
61 1 90 ASP N 1 94 ASN O 2.800 2.800 3.300 3.064 2.747 3.303 0.053 18 0 "[ . 1 . 2]" 3
62 1 90 ASP H 1 94 ASN O 1.800 . 2.300 2.178 1.795 2.402 0.102 12 0 "[ . 1 . 2]" 3
63 1 29 THR O 1 89 LEU N 2.800 2.800 3.300 2.869 2.765 3.114 0.035 7 0 "[ . 1 . 2]" 3
64 1 29 THR O 1 89 LEU H 1.800 . 2.300 1.962 1.831 2.262 . 0 0 "[ . 1 . 2]" 3
65 1 88 PHE N 1 97 TYR O 2.800 2.800 3.300 2.742 2.699 2.792 0.101 16 0 "[ . 1 . 2]" 3
66 1 88 PHE H 1 97 TYR O 1.800 . 2.300 1.787 1.752 1.877 0.048 2 0 "[ . 1 . 2]" 3
67 1 31 ILE O 1 87 VAL N 2.800 2.800 3.300 2.757 2.701 2.889 0.099 13 0 "[ . 1 . 2]" 3
68 1 31 ILE O 1 87 VAL H 1.800 . 2.300 1.811 1.726 1.996 0.074 13 0 "[ . 1 . 2]" 3
69 1 86 THR N 1 99 HIS O 2.800 2.800 3.300 2.773 2.718 2.912 0.082 12 0 "[ . 1 . 2]" 3
70 1 86 THR H 1 99 HIS O 1.800 . 2.300 1.838 1.763 2.038 0.037 14 0 "[ . 1 . 2]" 3
71 1 88 PHE O 1 97 TYR N 2.800 2.800 3.300 3.338 3.274 3.377 0.077 1 0 "[ . 1 . 2]" 3
72 1 88 PHE O 1 97 TYR H 1.800 . 2.300 2.369 2.328 2.403 0.103 15 0 "[ . 1 . 2]" 3
73 1 99 HIS N 1 99 HIS O 2.800 2.800 3.300 2.777 2.726 2.849 0.074 18 0 "[ . 1 . 2]" 3
74 1 99 HIS H 1 99 HIS O 1.800 . 2.300 2.499 2.398 2.615 0.315 14 0 "[ . 1 . 2]" 3
stop_
save_
Contact the webmaster for help, if required. Sunday, April 28, 2024 5:53:47 AM GMT (wattos1)