NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542620 |
2lsl   |
18435 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lsl
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 1970
_Distance_constraint_stats_list.Viol_count 3854
_Distance_constraint_stats_list.Viol_total 3764.712
_Distance_constraint_stats_list.Viol_max 0.418
_Distance_constraint_stats_list.Viol_rms 0.0193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0488
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 SER 1.832 0.111 3 0 "[ . 1 . 2]"
1 9 VAL 2.220 0.111 3 0 "[ . 1 . 2]"
1 10 SER 3.814 0.090 8 0 "[ . 1 . 2]"
1 11 ILE 3.158 0.090 8 0 "[ . 1 . 2]"
1 12 ASP 1.643 0.067 8 0 "[ . 1 . 2]"
1 13 VAL 4.063 0.109 10 0 "[ . 1 . 2]"
1 14 GLU 5.104 0.109 10 0 "[ . 1 . 2]"
1 15 ILE 2.512 0.099 14 0 "[ . 1 . 2]"
1 16 LYS 1.224 0.167 20 0 "[ . 1 . 2]"
1 17 GLN 2.949 0.096 11 0 "[ . 1 . 2]"
1 18 ASN 2.153 0.073 20 0 "[ . 1 . 2]"
1 19 CYS 4.411 0.199 10 0 "[ . 1 . 2]"
1 20 LEU 3.557 0.151 5 0 "[ . 1 . 2]"
1 21 ILE 2.924 0.084 3 0 "[ . 1 . 2]"
1 22 LYS 0.358 0.050 14 0 "[ . 1 . 2]"
1 23 ILE 3.968 0.120 14 0 "[ . 1 . 2]"
1 24 ILE 1.721 0.086 18 0 "[ . 1 . 2]"
1 25 ASN 0.385 0.055 12 0 "[ . 1 . 2]"
1 26 ILE 1.511 0.086 18 0 "[ . 1 . 2]"
1 27 PRO 0.166 0.023 10 0 "[ . 1 . 2]"
1 28 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLY 0.436 0.053 3 0 "[ . 1 . 2]"
1 30 THR 1.479 0.121 15 0 "[ . 1 . 2]"
1 31 LEU 2.059 0.141 11 0 "[ . 1 . 2]"
1 32 LYS 2.943 0.141 11 0 "[ . 1 . 2]"
1 33 ALA 0.493 0.092 20 0 "[ . 1 . 2]"
1 34 GLU 4.312 0.100 8 0 "[ . 1 . 2]"
1 35 VAL 7.052 0.262 20 0 "[ . 1 . 2]"
1 36 VAL 3.003 0.111 5 0 "[ . 1 . 2]"
1 37 LEU 2.012 0.203 16 0 "[ . 1 . 2]"
1 38 ALA 0.083 0.034 16 0 "[ . 1 . 2]"
1 39 VAL 7.106 0.297 9 0 "[ . 1 . 2]"
1 40 ARG 2.613 0.297 9 0 "[ . 1 . 2]"
1 41 HIS 0.847 0.079 4 0 "[ . 1 . 2]"
1 42 LEU 3.765 0.172 16 0 "[ . 1 . 2]"
1 43 GLY 3.267 0.163 16 0 "[ . 1 . 2]"
1 44 TYR 0.226 0.049 10 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 2.849 0.124 18 0 "[ . 1 . 2]"
1 47 TYR 7.398 0.269 7 0 "[ . 1 . 2]"
1 48 CYS 4.172 0.124 18 0 "[ . 1 . 2]"
1 49 ASP 3.419 0.165 4 0 "[ . 1 . 2]"
1 50 TYR 4.151 0.111 19 0 "[ . 1 . 2]"
1 51 ILE 0.667 0.089 7 0 "[ . 1 . 2]"
1 52 ASP 2.666 0.151 16 0 "[ . 1 . 2]"
1 53 GLU 3.968 0.151 16 0 "[ . 1 . 2]"
1 54 ASN 3.478 0.203 15 0 "[ . 1 . 2]"
1 55 SER 1.299 0.203 15 0 "[ . 1 . 2]"
1 56 ASN 0.801 0.101 17 0 "[ . 1 . 2]"
1 57 GLN 0.187 0.052 14 0 "[ . 1 . 2]"
1 58 ILE 0.225 0.152 6 0 "[ . 1 . 2]"
1 59 ASN 1.664 0.166 11 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.962 0.101 4 0 "[ . 1 . 2]"
1 62 LEU 3.012 0.258 12 0 "[ . 1 . 2]"
1 63 ILE 5.609 0.258 12 0 "[ . 1 . 2]"
1 64 GLN 2.365 0.160 16 0 "[ . 1 . 2]"
1 65 GLN 1.184 0.202 15 0 "[ . 1 . 2]"
1 66 ASP 2.105 0.202 15 0 "[ . 1 . 2]"
1 67 GLN 0.922 0.101 2 0 "[ . 1 . 2]"
1 68 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PRO 2.104 0.243 1 0 "[ . 1 . 2]"
1 70 GLN 5.261 0.243 1 0 "[ . 1 . 2]"
1 71 LEU 2.361 0.117 14 0 "[ . 1 . 2]"
1 72 ASN 1.923 0.172 11 0 "[ . 1 . 2]"
1 73 ASP 2.768 0.172 11 0 "[ . 1 . 2]"
1 74 LEU 1.891 0.176 17 0 "[ . 1 . 2]"
1 75 LEU 1.057 0.223 3 0 "[ . 1 . 2]"
1 76 LYS 0.641 0.223 3 0 "[ . 1 . 2]"
1 77 GLU 1.925 0.357 17 0 "[ . 1 . 2]"
1 78 GLY 0.691 0.070 8 0 "[ . 1 . 2]"
1 79 GLN 2.092 0.111 19 0 "[ . 1 . 2]"
1 80 ALA 8.429 0.262 20 0 "[ . 1 . 2]"
1 81 MET 3.664 0.165 4 0 "[ . 1 . 2]"
1 82 ILE 6.680 0.418 8 0 "[ . 1 . 2]"
1 83 ARG 7.200 0.269 7 0 "[ . 1 . 2]"
1 84 PHE 0.932 0.418 8 0 "[ . 1 . 2]"
1 85 GLN 1.449 0.093 4 0 "[ . 1 . 2]"
1 86 ASN 2.723 0.171 6 0 "[ . 1 . 2]"
1 87 SER 3.886 0.132 7 0 "[ . 1 . 2]"
1 88 ASP 2.537 0.093 18 0 "[ . 1 . 2]"
1 89 GLU 4.377 0.171 6 0 "[ . 1 . 2]"
1 90 GLN 3.924 0.132 7 0 "[ . 1 . 2]"
1 91 ARG 9.178 0.199 10 0 "[ . 1 . 2]"
1 92 LEU 0.086 0.029 18 0 "[ . 1 . 2]"
1 93 ALA 1.432 0.075 16 0 "[ . 1 . 2]"
1 94 ILE 2.105 0.098 3 0 "[ . 1 . 2]"
1 95 GLN 2.509 0.098 3 0 "[ . 1 . 2]"
1 96 LYS 1.059 0.084 7 0 "[ . 1 . 2]"
1 97 LEU 0.758 0.059 1 0 "[ . 1 . 2]"
1 98 LEU 0.781 0.059 20 0 "[ . 1 . 2]"
1 99 ASN 0.781 0.059 20 0 "[ . 1 . 2]"
1 100 HIS 0.334 0.054 19 0 "[ . 1 . 2]"
1 101 ASN 0.334 0.054 19 0 "[ . 1 . 2]"
1 102 ASN 0.141 0.075 10 0 "[ . 1 . 2]"
1 103 ASN 0.141 0.075 10 0 "[ . 1 . 2]"
1 104 LYS 0.110 0.075 17 0 "[ . 1 . 2]"
1 105 LEU 0.711 0.075 17 0 "[ . 1 . 2]"
1 106 GLN 1.319 0.096 15 0 "[ . 1 . 2]"
1 107 ILE 0.119 0.083 4 0 "[ . 1 . 2]"
1 108 GLU 3.315 0.142 2 0 "[ . 1 . 2]"
1 109 ILE 6.814 0.201 18 0 "[ . 1 . 2]"
1 110 ARG 2.395 0.100 8 0 "[ . 1 . 2]"
1 111 GLY 6.467 0.142 2 0 "[ . 1 . 2]"
1 112 GLN 1.039 0.051 14 0 "[ . 1 . 2]"
1 113 ILE 4.331 0.201 18 0 "[ . 1 . 2]"
1 114 CYS 0.219 0.083 4 0 "[ . 1 . 2]"
1 115 ASP 1.808 0.096 15 0 "[ . 1 . 2]"
1 116 VAL 2.272 0.120 14 0 "[ . 1 . 2]"
1 117 ILE 0.099 0.037 9 0 "[ . 1 . 2]"
1 118 SER 2.482 0.084 3 0 "[ . 1 . 2]"
1 119 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 ILE 3.620 0.151 5 0 "[ . 1 . 2]"
1 121 PRO 1.764 0.089 4 0 "[ . 1 . 2]"
1 122 GLU 6.127 0.140 11 0 "[ . 1 . 2]"
1 123 ASP 0.044 0.021 14 0 "[ . 1 . 2]"
1 124 GLU 8.698 0.161 7 0 "[ . 1 . 2]"
1 125 GLU 1.566 0.054 18 0 "[ . 1 . 2]"
1 126 LYS 12.504 0.161 7 0 "[ . 1 . 2]"
1 127 ASN 5.872 0.092 3 0 "[ . 1 . 2]"
1 128 TYR 3.439 0.130 6 0 "[ . 1 . 2]"
1 129 TRP 1.845 0.072 4 0 "[ . 1 . 2]"
1 130 ASN 6.488 0.156 5 0 "[ . 1 . 2]"
1 131 TYR 4.323 0.125 19 0 "[ . 1 . 2]"
1 132 ILE 12.514 0.156 5 0 "[ . 1 . 2]"
1 133 LYS 4.812 0.177 7 0 "[ . 1 . 2]"
1 134 PHE 1.134 0.065 17 0 "[ . 1 . 2]"
1 135 LYS 5.384 0.125 19 0 "[ . 1 . 2]"
1 136 LYS 1.713 0.135 4 0 "[ . 1 . 2]"
1 137 ASN 4.427 0.177 7 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 8 SER HA 1 9 VAL QG 5.500 . 5.500 3.484 3.380 3.613 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HB3 1 9 VAL MG1 3.500 . 3.500 2.505 2.228 3.088 . 0 0 "[ . 1 . 2]" 1
3 1 8 SER HB3 1 9 VAL MG2 3.500 . 3.500 3.489 3.398 3.594 0.094 9 0 "[ . 1 . 2]" 1
4 1 8 SER HB2 1 9 VAL MG1 3.500 . 3.500 3.431 3.270 3.594 0.094 9 0 "[ . 1 . 2]" 1
5 1 8 SER HB2 1 9 VAL MG2 3.500 . 3.500 3.448 3.081 3.528 0.028 20 0 "[ . 1 . 2]" 1
6 1 8 SER QB 1 9 VAL HA 4.500 . 4.500 4.163 4.102 4.195 . 0 0 "[ . 1 . 2]" 1
7 1 8 SER QB 1 9 VAL QG 5.500 . 5.500 2.346 2.152 2.598 . 0 0 "[ . 1 . 2]" 1
8 1 8 SER QB 1 9 VAL H 4.500 . 4.500 1.920 1.828 2.096 . 0 0 "[ . 1 . 2]" 1
9 1 8 SER HA 1 9 VAL HB 6.000 . 6.000 6.068 6.037 6.111 0.111 3 0 "[ . 1 . 2]" 1
10 1 9 VAL QG 1 10 SER HA 5.500 . 5.500 3.475 3.402 3.525 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL QG 1 10 SER QB 5.500 . 5.500 4.557 4.338 4.704 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER HB3 1 9 VAL H 4.500 . 4.500 2.689 2.149 3.016 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER HB2 1 9 VAL H 4.500 . 4.500 1.972 1.864 2.164 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL H 1 9 VAL MG1 3.500 . 3.500 2.718 1.877 2.978 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL H 1 9 VAL MG2 3.500 . 3.500 2.476 2.165 2.552 . 0 0 "[ . 1 . 2]" 1
16 1 9 VAL MG1 1 10 SER HA 6.000 . 6.000 5.506 5.475 5.527 . 0 0 "[ . 1 . 2]" 1
17 1 9 VAL MG2 1 10 SER HA 3.500 . 3.500 3.513 3.436 3.566 0.066 6 0 "[ . 1 . 2]" 1
18 1 10 SER HA 1 11 ILE HA 5.500 . 5.500 4.354 4.314 4.474 . 0 0 "[ . 1 . 2]" 1
19 1 10 SER HA 1 11 ILE HG13 5.500 . 5.500 5.540 5.434 5.584 0.084 8 0 "[ . 1 . 2]" 1
20 1 10 SER HA 1 11 ILE HG12 5.500 . 5.500 4.044 3.836 4.279 . 0 0 "[ . 1 . 2]" 1
21 1 10 SER HA 1 11 ILE H 3.500 . 3.500 2.160 2.131 2.228 . 0 0 "[ . 1 . 2]" 1
22 1 10 SER HB3 1 11 ILE H 4.500 . 4.500 3.250 2.974 3.986 . 0 0 "[ . 1 . 2]" 1
23 1 10 SER QB 1 11 ILE HA 4.500 . 4.500 4.556 4.287 4.590 0.090 8 0 "[ . 1 . 2]" 1
24 1 10 SER QB 1 11 ILE H 4.500 . 4.500 3.122 2.855 3.661 . 0 0 "[ . 1 . 2]" 1
25 1 10 SER QB 1 12 ASP H 5.500 . 5.500 2.832 2.433 3.363 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL MG1 1 10 SER H 4.500 . 4.500 4.039 3.876 4.211 . 0 0 "[ . 1 . 2]" 1
27 1 9 VAL MG2 1 10 SER H 4.500 . 4.500 3.408 2.996 3.758 . 0 0 "[ . 1 . 2]" 1
28 1 11 ILE HA 1 11 ILE HG13 4.500 . 4.500 3.760 3.617 3.959 . 0 0 "[ . 1 . 2]" 1
29 1 11 ILE HA 1 11 ILE HG12 4.500 . 4.500 3.650 3.513 3.775 . 0 0 "[ . 1 . 2]" 1
30 1 11 ILE HA 1 12 ASP HA 5.500 . 5.500 4.549 4.523 4.628 . 0 0 "[ . 1 . 2]" 1
31 1 11 ILE HB 1 12 ASP H 4.500 . 4.500 3.863 3.604 4.183 . 0 0 "[ . 1 . 2]" 1
32 1 11 ILE MG 1 12 ASP H 4.500 . 4.500 3.781 3.611 4.065 . 0 0 "[ . 1 . 2]" 1
33 1 10 SER HB2 1 11 ILE H 4.500 . 4.500 4.097 3.685 4.267 . 0 0 "[ . 1 . 2]" 1
34 1 11 ILE H 1 11 ILE QG 4.500 . 4.500 2.161 1.929 2.483 . 0 0 "[ . 1 . 2]" 1
35 1 11 ILE H 1 11 ILE MG 4.500 . 4.500 2.117 1.881 2.568 . 0 0 "[ . 1 . 2]" 1
36 1 11 ILE H 1 12 ASP HB3 6.500 . 6.500 5.642 5.274 6.004 . 0 0 "[ . 1 . 2]" 1
37 1 11 ILE H 1 12 ASP HB2 6.500 . 6.500 6.143 5.522 6.366 . 0 0 "[ . 1 . 2]" 1
38 1 11 ILE H 1 12 ASP H 4.500 . 4.500 2.537 1.962 2.650 . 0 0 "[ . 1 . 2]" 1
39 1 11 ILE HG13 1 12 ASP HA 4.500 . 4.500 3.806 3.355 4.305 . 0 0 "[ . 1 . 2]" 1
40 1 11 ILE HG12 1 12 ASP HA 4.500 . 4.500 4.539 4.501 4.567 0.067 8 0 "[ . 1 . 2]" 1
41 1 12 ASP HA 1 13 VAL H 4.500 . 4.500 2.299 2.200 2.680 . 0 0 "[ . 1 . 2]" 1
42 1 12 ASP HB3 1 13 VAL MG1 5.500 . 5.500 5.407 4.821 5.527 0.027 2 0 "[ . 1 . 2]" 1
43 1 12 ASP QB 1 13 VAL H 4.500 . 4.500 2.692 1.865 2.917 . 0 0 "[ . 1 . 2]" 1
44 1 10 SER HB3 1 12 ASP H 4.500 . 4.500 2.922 2.474 3.591 . 0 0 "[ . 1 . 2]" 1
45 1 10 SER HB2 1 12 ASP H 4.500 . 4.500 3.864 3.228 4.161 . 0 0 "[ . 1 . 2]" 1
46 1 11 ILE HA 1 12 ASP H 3.500 . 3.500 3.478 3.354 3.521 0.021 6 0 "[ . 1 . 2]" 1
47 1 12 ASP H 1 12 ASP QB 3.500 . 3.500 3.107 2.928 3.186 . 0 0 "[ . 1 . 2]" 1
48 1 12 ASP H 1 13 VAL HA 5.500 . 5.500 4.963 4.906 5.070 . 0 0 "[ . 1 . 2]" 1
49 1 12 ASP H 1 13 VAL HB 6.500 . 6.500 5.245 5.044 5.937 . 0 0 "[ . 1 . 2]" 1
50 1 12 ASP H 1 13 VAL H 4.500 . 4.500 4.436 4.376 4.479 . 0 0 "[ . 1 . 2]" 1
51 1 12 ASP HA 1 13 VAL HA 6.500 . 6.500 4.460 4.436 4.537 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL HA 1 13 VAL MG1 3.500 . 3.500 3.188 3.178 3.195 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL HA 1 14 GLU HB3 6.500 . 6.500 5.591 5.545 5.621 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL HA 1 14 GLU H 3.500 . 3.500 2.278 2.226 2.317 . 0 0 "[ . 1 . 2]" 1
55 1 13 VAL HB 1 14 GLU H 4.500 . 4.500 4.039 3.983 4.096 . 0 0 "[ . 1 . 2]" 1
56 1 12 ASP HA 1 13 VAL MG1 5.500 . 5.500 3.766 3.677 3.994 . 0 0 "[ . 1 . 2]" 1
57 1 13 VAL MG2 1 14 GLU H 3.500 . 3.500 2.016 1.866 2.265 . 0 0 "[ . 1 . 2]" 1
58 1 13 VAL MG2 1 15 ILE HA 4.500 . 4.500 4.469 4.347 4.523 0.023 2 0 "[ . 1 . 2]" 1
59 1 10 SER HB3 1 13 VAL H 5.500 . 5.500 5.534 5.505 5.569 0.069 3 0 "[ . 1 . 2]" 1
60 1 10 SER HB2 1 13 VAL H 5.500 . 5.500 5.519 5.443 5.563 0.063 3 0 "[ . 1 . 2]" 1
61 1 13 VAL H 1 13 VAL MG1 3.500 . 3.500 2.373 2.247 2.455 . 0 0 "[ . 1 . 2]" 1
62 1 13 VAL H 1 14 GLU HG3 6.500 . 6.500 4.004 3.732 4.157 . 0 0 "[ . 1 . 2]" 1
63 1 13 VAL H 1 14 GLU HG2 6.500 . 6.500 4.633 4.423 4.844 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 14 GLU H 4.500 . 4.500 4.364 4.315 4.386 . 0 0 "[ . 1 . 2]" 1
65 1 13 VAL MG1 1 14 GLU HA 3.500 . 3.500 3.499 3.447 3.537 0.037 18 0 "[ . 1 . 2]" 1
66 1 13 VAL MG2 1 14 GLU HA 3.500 . 3.500 3.547 3.520 3.566 0.066 9 0 "[ . 1 . 2]" 1
67 1 14 GLU HA 1 14 GLU HG3 3.500 . 3.500 3.082 2.928 3.152 . 0 0 "[ . 1 . 2]" 1
68 1 14 GLU HA 1 14 GLU HG2 3.500 . 3.500 2.887 2.645 3.111 . 0 0 "[ . 1 . 2]" 1
69 1 14 GLU HA 1 15 ILE HA 5.500 . 5.500 4.346 4.310 4.375 . 0 0 "[ . 1 . 2]" 1
70 1 14 GLU HA 1 15 ILE HB 6.000 . 6.000 5.642 5.613 5.672 . 0 0 "[ . 1 . 2]" 1
71 1 14 GLU HA 1 15 ILE MG 5.500 . 5.500 4.033 3.349 4.336 . 0 0 "[ . 1 . 2]" 1
72 1 14 GLU HA 1 15 ILE H 3.500 . 3.500 2.271 2.205 2.323 . 0 0 "[ . 1 . 2]" 1
73 1 13 VAL MG2 1 14 GLU HB3 5.500 . 5.500 5.078 5.000 5.178 . 0 0 "[ . 1 . 2]" 1
74 1 14 GLU HB3 1 15 ILE HB 6.000 . 6.000 6.032 5.915 6.099 0.099 14 0 "[ . 1 . 2]" 1
75 1 14 GLU QB 1 15 ILE HA 5.500 . 5.500 4.260 4.184 4.434 . 0 0 "[ . 1 . 2]" 1
76 1 14 GLU QB 1 15 ILE HB 5.500 . 5.500 5.550 5.516 5.591 0.091 8 0 "[ . 1 . 2]" 1
77 1 14 GLU QB 1 15 ILE H 3.500 . 3.500 2.612 2.464 2.803 . 0 0 "[ . 1 . 2]" 1
78 1 12 ASP HB2 1 14 GLU HG3 4.500 . 4.500 4.027 3.750 4.249 . 0 0 "[ . 1 . 2]" 1
79 1 13 VAL MG1 1 14 GLU HG3 4.500 . 4.500 4.500 4.325 4.587 0.087 8 0 "[ . 1 . 2]" 1
80 1 13 VAL MG2 1 14 GLU HG3 4.500 . 4.500 4.158 3.985 4.307 . 0 0 "[ . 1 . 2]" 1
81 1 12 ASP HB2 1 14 GLU HG2 4.500 . 4.500 4.529 4.470 4.567 0.067 8 0 "[ . 1 . 2]" 1
82 1 13 VAL MG1 1 14 GLU HG2 5.500 . 5.500 4.965 4.739 5.167 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL MG2 1 14 GLU HG2 5.500 . 5.500 5.159 5.031 5.392 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL MG1 1 14 GLU H 3.500 . 3.500 3.553 3.514 3.609 0.109 10 0 "[ . 1 . 2]" 1
85 1 14 GLU H 1 14 GLU HB2 3.500 . 3.500 2.935 2.830 3.012 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLU H 1 14 GLU QB 3.500 . 3.500 2.854 2.763 2.916 . 0 0 "[ . 1 . 2]" 1
87 1 15 ILE HA 1 15 ILE MD 4.500 . 4.500 3.704 3.432 4.098 . 0 0 "[ . 1 . 2]" 1
88 1 15 ILE HA 1 15 ILE HG13 3.500 . 3.500 3.511 3.449 3.571 0.071 9 0 "[ . 1 . 2]" 1
89 1 15 ILE HA 1 15 ILE MG 3.500 . 3.500 2.132 1.960 2.409 . 0 0 "[ . 1 . 2]" 1
90 1 15 ILE HA 1 16 LYS QB 5.500 . 5.500 4.448 4.291 4.842 . 0 0 "[ . 1 . 2]" 1
91 1 15 ILE HB 1 15 ILE MD 3.500 . 3.500 2.272 1.989 2.433 . 0 0 "[ . 1 . 2]" 1
92 1 15 ILE HB 1 16 LYS QB 4.500 . 4.500 4.260 3.892 4.576 0.076 10 0 "[ . 1 . 2]" 1
93 1 15 ILE HB 1 16 LYS H 4.500 . 4.500 2.164 1.900 2.458 . 0 0 "[ . 1 . 2]" 1
94 1 15 ILE MD 1 16 LYS HB3 5.500 . 5.500 5.461 5.174 5.550 0.050 3 0 "[ . 1 . 2]" 1
95 1 15 ILE MD 1 16 LYS HB2 5.500 . 5.500 5.083 4.774 5.517 0.017 8 0 "[ . 1 . 2]" 1
96 1 15 ILE MD 1 16 LYS H 4.500 . 4.500 3.442 3.179 3.721 . 0 0 "[ . 1 . 2]" 1
97 1 15 ILE MD 1 17 GLN H 5.500 . 5.500 4.434 3.772 4.904 . 0 0 "[ . 1 . 2]" 1
98 1 15 ILE MD 1 15 ILE MG 3.500 . 3.500 3.055 2.567 3.255 . 0 0 "[ . 1 . 2]" 1
99 1 15 ILE MG 1 16 LYS H 4.500 . 4.500 3.184 2.942 3.618 . 0 0 "[ . 1 . 2]" 1
100 1 14 GLU H 1 15 ILE H 5.500 . 5.500 4.410 4.370 4.435 . 0 0 "[ . 1 . 2]" 1
101 1 15 ILE H 1 15 ILE MD 4.500 . 4.500 2.596 1.878 3.844 . 0 0 "[ . 1 . 2]" 1
102 1 15 ILE H 1 15 ILE HG12 3.500 . 3.500 3.132 2.477 3.430 . 0 0 "[ . 1 . 2]" 1
103 1 15 ILE H 1 15 ILE QG 4.500 . 4.500 1.861 1.808 2.177 . 0 0 "[ . 1 . 2]" 1
104 1 15 ILE H 1 15 ILE MG 4.500 . 4.500 3.064 2.589 3.318 . 0 0 "[ . 1 . 2]" 1
105 1 15 ILE H 1 16 LYS H 5.500 . 5.500 4.507 4.437 4.536 . 0 0 "[ . 1 . 2]" 1
106 1 15 ILE HB 1 16 LYS HA 5.500 2.800 5.500 4.377 4.260 4.587 . 0 0 "[ . 1 . 2]" 1
107 1 15 ILE MD 1 16 LYS HA 5.500 . 5.500 3.986 3.602 4.832 . 0 0 "[ . 1 . 2]" 1
108 1 16 LYS QB 1 17 GLN QG 5.500 . 5.500 4.376 4.015 5.255 . 0 0 "[ . 1 . 2]" 1
109 1 16 LYS QB 1 17 GLN H 4.500 . 4.500 2.939 2.678 3.384 . 0 0 "[ . 1 . 2]" 1
110 1 15 ILE HA 1 16 LYS H 4.500 . 4.500 2.507 2.399 2.627 . 0 0 "[ . 1 . 2]" 1
111 1 16 LYS H 1 17 GLN H 4.500 . 4.500 4.512 4.360 4.572 0.072 19 0 "[ . 1 . 2]" 1
112 1 16 LYS HB3 1 17 GLN HA 6.000 . 6.000 4.777 4.472 5.871 . 0 0 "[ . 1 . 2]" 1
113 1 16 LYS HB2 1 17 GLN HA 6.000 . 6.000 5.062 4.390 5.345 . 0 0 "[ . 1 . 2]" 1
114 1 16 LYS H 1 17 GLN HA 5.500 . 5.500 5.142 4.979 5.350 . 0 0 "[ . 1 . 2]" 1
115 1 17 GLN HA 1 17 GLN HG3 3.500 . 3.500 3.386 2.467 3.596 0.096 11 0 "[ . 1 . 2]" 1
116 1 17 GLN HA 1 17 GLN HG2 3.500 . 3.500 3.012 2.499 3.558 0.058 10 0 "[ . 1 . 2]" 1
117 1 17 GLN HA 1 18 ASN HD22 6.000 . 6.000 5.907 5.705 6.038 0.038 3 0 "[ . 1 . 2]" 1
118 1 17 GLN HA 1 18 ASN H 3.500 . 3.500 3.547 3.469 3.558 0.058 5 0 "[ . 1 . 2]" 1
119 1 17 GLN HA 1 19 CYS H 4.500 . 4.500 4.346 4.180 4.482 . 0 0 "[ . 1 . 2]" 1
120 1 17 GLN HB2 1 18 ASN HD21 5.500 . 5.500 3.064 2.020 4.902 . 0 0 "[ . 1 . 2]" 1
121 1 17 GLN QB 1 18 ASN HD21 5.500 . 5.500 2.947 2.012 3.529 . 0 0 "[ . 1 . 2]" 1
122 1 17 GLN QB 1 18 ASN H 3.500 . 3.500 2.162 1.773 2.415 0.027 20 0 "[ . 1 . 2]" 1
123 1 17 GLN QB 1 19 CYS H 4.500 . 4.500 4.382 3.566 4.587 0.087 6 0 "[ . 1 . 2]" 1
124 1 17 GLN HG3 1 87 SER HB3 5.500 . 5.500 3.657 3.060 4.484 . 0 0 "[ . 1 . 2]" 1
125 1 17 GLN HG3 1 87 SER HB2 5.500 . 5.500 4.067 3.496 5.540 0.040 20 0 "[ . 1 . 2]" 1
126 1 17 GLN HG2 1 87 SER HB2 5.500 . 5.500 5.488 5.176 5.526 0.026 11 0 "[ . 1 . 2]" 1
127 1 17 GLN QG 1 18 ASN HD21 5.500 . 5.500 4.439 3.380 5.318 . 0 0 "[ . 1 . 2]" 1
128 1 17 GLN QG 1 18 ASN H 4.500 . 4.500 3.194 2.571 3.934 . 0 0 "[ . 1 . 2]" 1
129 1 17 GLN H 1 17 GLN QG 4.500 . 4.500 2.037 1.774 3.213 0.026 6 0 "[ . 1 . 2]" 1
130 1 17 GLN H 1 18 ASN H 3.500 . 3.500 2.552 2.389 3.150 . 0 0 "[ . 1 . 2]" 1
131 1 18 ASN HA 1 18 ASN HD21 4.500 . 4.500 2.750 1.873 4.047 . 0 0 "[ . 1 . 2]" 1
132 1 18 ASN HA 1 19 CYS H 3.500 . 3.500 3.490 3.371 3.523 0.023 9 0 "[ . 1 . 2]" 1
133 1 18 ASN HA 1 87 SER HB3 5.500 . 5.500 5.298 4.753 5.534 0.034 20 0 "[ . 1 . 2]" 1
134 1 18 ASN HA 1 87 SER HB2 5.500 . 5.500 4.830 4.457 5.497 . 0 0 "[ . 1 . 2]" 1
135 1 18 ASN HB3 1 87 SER HB3 6.500 . 6.500 5.349 4.616 5.744 . 0 0 "[ . 1 . 2]" 1
136 1 18 ASN HB3 1 87 SER HB2 6.500 . 6.500 4.308 3.775 5.088 . 0 0 "[ . 1 . 2]" 1
137 1 18 ASN HB3 1 94 ILE MD 3.500 . 3.500 3.512 3.320 3.556 0.056 8 0 "[ . 1 . 2]" 1
138 1 17 GLN HB3 1 18 ASN H 4.500 . 4.500 3.540 2.024 3.815 . 0 0 "[ . 1 . 2]" 1
139 1 18 ASN H 1 18 ASN HD21 5.500 . 5.500 2.496 1.818 3.302 . 0 0 "[ . 1 . 2]" 1
140 1 18 ASN H 1 20 LEU QD 5.500 . 5.500 4.671 4.405 5.294 . 0 0 "[ . 1 . 2]" 1
141 1 18 ASN H 1 20 LEU HG 5.500 . 5.500 5.371 5.054 5.573 0.073 20 0 "[ . 1 . 2]" 1
142 1 19 CYS HA 1 20 LEU H 3.500 . 3.500 3.071 3.033 3.092 . 0 0 "[ . 1 . 2]" 1
143 1 19 CYS HA 1 84 PHE QD 5.500 . 5.500 2.186 1.908 3.231 . 0 0 "[ . 1 . 2]" 1
144 1 19 CYS HA 1 90 GLN HA 6.500 . 6.500 4.098 4.009 4.167 . 0 0 "[ . 1 . 2]" 1
145 1 19 CYS HA 1 90 GLN HB3 3.500 . 3.500 2.717 2.504 3.098 . 0 0 "[ . 1 . 2]" 1
146 1 19 CYS HA 1 90 GLN HB2 5.500 . 5.500 1.816 1.784 1.865 0.016 4 0 "[ . 1 . 2]" 1
147 1 19 CYS HB3 1 20 LEU H 5.500 . 5.500 4.604 4.567 4.716 . 0 0 "[ . 1 . 2]" 1
148 1 19 CYS HB3 1 83 ARG QG 5.500 . 5.500 4.665 4.417 4.969 . 0 0 "[ . 1 . 2]" 1
149 1 19 CYS HB3 1 84 PHE H 5.500 . 5.500 3.718 2.841 3.871 . 0 0 "[ . 1 . 2]" 1
150 1 19 CYS HB3 1 90 GLN HB2 5.500 . 5.500 3.099 2.433 3.324 . 0 0 "[ . 1 . 2]" 1
151 1 19 CYS HB3 1 91 ARG H 5.500 . 5.500 5.638 5.571 5.699 0.199 10 0 "[ . 1 . 2]" 1
152 1 19 CYS HB2 1 20 LEU MD2 4.500 . 4.500 4.307 3.345 4.531 0.031 19 0 "[ . 1 . 2]" 1
153 1 19 CYS HB2 1 83 ARG QG 5.500 . 5.500 3.368 3.104 3.646 . 0 0 "[ . 1 . 2]" 1
154 1 19 CYS HB2 1 84 PHE H 5.500 . 5.500 2.091 1.918 2.386 . 0 0 "[ . 1 . 2]" 1
155 1 19 CYS HB2 1 90 GLN HB2 5.500 . 5.500 3.284 3.086 4.025 . 0 0 "[ . 1 . 2]" 1
156 1 19 CYS QB 1 20 LEU HA 5.500 . 5.500 4.653 4.299 4.766 . 0 0 "[ . 1 . 2]" 1
157 1 19 CYS QB 1 20 LEU QD 4.500 . 4.500 3.855 3.246 4.008 . 0 0 "[ . 1 . 2]" 1
158 1 19 CYS QB 1 20 LEU H 4.500 . 4.500 4.056 3.890 4.087 . 0 0 "[ . 1 . 2]" 1
159 1 19 CYS QB 1 83 ARG QB 5.500 . 5.500 4.929 4.700 5.034 . 0 0 "[ . 1 . 2]" 1
160 1 19 CYS QB 1 83 ARG QG 5.500 . 5.500 3.294 3.046 3.540 . 0 0 "[ . 1 . 2]" 1
161 1 19 CYS QB 1 84 PHE H 4.500 . 4.500 2.076 1.911 2.354 . 0 0 "[ . 1 . 2]" 1
162 1 19 CYS QB 1 90 GLN HB3 5.500 . 5.500 3.573 3.358 3.941 . 0 0 "[ . 1 . 2]" 1
163 1 19 CYS QB 1 90 GLN HB2 4.500 . 4.500 2.804 2.409 2.890 . 0 0 "[ . 1 . 2]" 1
164 1 18 ASN H 1 19 CYS H 3.500 . 3.500 2.725 2.539 2.767 . 0 0 "[ . 1 . 2]" 1
165 1 19 CYS H 1 19 CYS HB3 3.500 . 3.500 2.415 2.258 3.299 . 0 0 "[ . 1 . 2]" 1
166 1 19 CYS H 1 19 CYS QB 3.500 . 3.500 2.362 2.233 2.944 . 0 0 "[ . 1 . 2]" 1
167 1 19 CYS H 1 20 LEU HA 5.500 . 5.500 5.534 5.502 5.563 0.063 14 0 "[ . 1 . 2]" 1
168 1 19 CYS H 1 20 LEU HB3 6.500 . 6.500 6.386 6.308 6.481 . 0 0 "[ . 1 . 2]" 1
169 1 19 CYS H 1 20 LEU HB2 6.500 . 6.500 5.640 5.437 5.862 . 0 0 "[ . 1 . 2]" 1
170 1 19 CYS H 1 20 LEU QB 5.500 . 5.500 5.284 5.173 5.406 . 0 0 "[ . 1 . 2]" 1
171 1 19 CYS H 1 20 LEU MD1 5.500 . 5.500 4.331 3.890 4.954 . 0 0 "[ . 1 . 2]" 1
172 1 19 CYS H 1 20 LEU MD2 5.500 . 5.500 4.805 4.113 5.087 . 0 0 "[ . 1 . 2]" 1
173 1 19 CYS H 1 20 LEU HG 5.500 . 5.500 3.713 3.545 3.901 . 0 0 "[ . 1 . 2]" 1
174 1 19 CYS H 1 20 LEU H 3.500 . 3.500 3.271 3.224 3.315 . 0 0 "[ . 1 . 2]" 1
175 1 19 CYS H 1 84 PHE H 5.500 . 5.500 5.100 4.959 5.345 . 0 0 "[ . 1 . 2]" 1
176 1 20 LEU HA 1 20 LEU MD2 3.500 . 3.500 2.777 2.189 3.066 . 0 0 "[ . 1 . 2]" 1
177 1 20 LEU HA 1 20 LEU QD 3.500 . 3.500 2.726 2.179 2.977 . 0 0 "[ . 1 . 2]" 1
178 1 20 LEU HA 1 20 LEU HG 4.500 . 4.500 3.084 2.953 3.370 . 0 0 "[ . 1 . 2]" 1
179 1 20 LEU HA 1 21 ILE H 3.500 . 3.500 2.308 2.259 2.340 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU HA 1 82 ILE H 5.500 . 5.500 4.549 4.303 4.889 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU HA 1 83 ARG HA 3.500 . 3.500 2.723 2.623 2.798 . 0 0 "[ . 1 . 2]" 1
182 1 20 LEU HA 1 83 ARG H 6.000 . 6.000 5.111 5.002 5.260 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU HA 1 84 PHE QD 5.500 . 5.500 3.777 3.511 4.561 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU HA 1 84 PHE QE 6.500 . 6.500 4.182 3.808 5.959 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 84 PHE H 5.500 . 5.500 3.922 3.615 4.105 . 0 0 "[ . 1 . 2]" 1
186 1 20 LEU HB3 1 20 LEU MD2 3.500 . 3.500 2.066 1.943 2.282 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HB2 1 20 LEU MD2 3.500 . 3.500 3.067 2.942 3.167 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU QB 1 21 ILE H 4.500 . 4.500 3.021 2.908 3.164 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU MD1 1 83 ARG HG3 5.500 . 5.500 4.468 4.215 4.683 . 0 0 "[ . 1 . 2]" 1
190 1 20 LEU MD1 1 83 ARG HG2 5.500 . 5.500 5.408 4.819 5.561 0.061 20 0 "[ . 1 . 2]" 1
191 1 20 LEU MD1 1 120 ILE HG12 5.500 . 5.500 4.901 4.541 5.258 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU MD1 1 125 GLU HA 5.500 . 5.500 2.210 1.996 2.620 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU MD1 1 125 GLU HB3 5.500 . 5.500 3.251 3.122 3.495 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU MD1 1 128 TYR QE 5.500 . 5.500 5.405 5.123 5.540 0.040 4 0 "[ . 1 . 2]" 1
195 1 20 LEU QD 1 21 ILE H 5.500 . 5.500 4.094 3.697 4.288 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU QD 1 83 ARG HA 4.500 . 4.500 3.370 2.829 3.531 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU QD 1 83 ARG QB 3.500 . 3.500 3.199 2.939 3.521 0.021 4 0 "[ . 1 . 2]" 1
198 1 20 LEU QD 1 83 ARG QD 4.500 . 4.500 3.106 2.820 3.307 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU QD 1 83 ARG H 5.500 . 5.500 5.324 4.846 5.473 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU QD 1 84 PHE H 4.500 . 4.500 4.045 3.368 4.363 . 0 0 "[ . 1 . 2]" 1
201 1 20 LEU QD 1 128 TYR QE 4.500 . 4.500 3.028 2.593 3.594 . 0 0 "[ . 1 . 2]" 1
202 1 18 ASN HA 1 20 LEU H 3.500 . 3.500 3.365 3.276 3.439 . 0 0 "[ . 1 . 2]" 1
203 1 18 ASN H 1 20 LEU H 5.500 . 5.500 4.856 4.772 4.937 . 0 0 "[ . 1 . 2]" 1
204 1 19 CYS HB2 1 20 LEU H 6.500 . 6.500 4.511 4.150 4.577 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU H 1 20 LEU QB 3.500 . 3.500 2.898 2.757 3.003 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU H 1 20 LEU MD1 4.500 . 4.500 3.437 2.987 3.910 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU H 1 20 LEU MD2 4.500 . 4.500 3.926 3.422 4.119 . 0 0 "[ . 1 . 2]" 1
208 1 20 LEU H 1 20 LEU HG 4.500 . 4.500 2.578 2.334 2.797 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU H 1 21 ILE H 5.500 . 5.500 4.383 4.273 4.438 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU H 1 83 ARG HA 6.500 . 6.500 4.831 4.752 5.033 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU H 1 84 PHE H 5.500 . 5.500 4.737 4.606 4.989 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU H 1 120 ILE HG12 6.500 . 6.500 5.345 4.930 5.608 . 0 0 "[ . 1 . 2]" 1
213 1 21 ILE HA 1 21 ILE MG 3.500 . 3.500 2.778 2.615 2.839 . 0 0 "[ . 1 . 2]" 1
214 1 21 ILE HA 1 22 LYS H 3.500 . 3.500 2.391 2.323 2.414 . 0 0 "[ . 1 . 2]" 1
215 1 21 ILE HB 1 21 ILE MD 3.500 . 3.500 2.607 2.024 2.737 . 0 0 "[ . 1 . 2]" 1
216 1 21 ILE HB 1 82 ILE MG 4.500 . 4.500 3.713 3.583 3.826 . 0 0 "[ . 1 . 2]" 1
217 1 21 ILE HB 1 118 SER HA 4.500 . 4.500 1.775 1.737 1.861 0.063 6 0 "[ . 1 . 2]" 1
218 1 21 ILE HB 1 118 SER QB 5.500 . 5.500 3.607 3.528 3.678 . 0 0 "[ . 1 . 2]" 1
219 1 21 ILE MD 1 22 LYS HA 5.500 . 5.500 4.785 3.167 4.971 . 0 0 "[ . 1 . 2]" 1
220 1 21 ILE MD 1 22 LYS H 4.500 . 4.500 3.928 2.445 4.197 . 0 0 "[ . 1 . 2]" 1
221 1 21 ILE MD 1 23 ILE H 5.500 . 5.500 5.110 3.300 5.385 . 0 0 "[ . 1 . 2]" 1
222 1 21 ILE MD 1 81 MET HA 6.500 . 6.500 5.326 4.486 5.522 . 0 0 "[ . 1 . 2]" 1
223 1 21 ILE MD 1 82 ILE H 4.500 . 4.500 4.381 4.237 4.544 0.044 8 0 "[ . 1 . 2]" 1
224 1 21 ILE MD 1 118 SER HA 4.500 . 4.500 2.936 2.628 3.245 . 0 0 "[ . 1 . 2]" 1
225 1 21 ILE HG13 1 22 LYS H 5.500 . 5.500 2.525 2.276 3.369 . 0 0 "[ . 1 . 2]" 1
226 1 21 ILE HG13 1 23 ILE HB 4.500 . 4.500 4.007 3.827 4.538 0.038 4 0 "[ . 1 . 2]" 1
227 1 21 ILE HG12 1 22 LYS H 5.500 . 5.500 3.410 3.192 4.337 . 0 0 "[ . 1 . 2]" 1
228 1 21 ILE HG12 1 23 ILE HB 5.500 . 5.500 4.616 4.396 5.539 0.039 8 0 "[ . 1 . 2]" 1
229 1 21 ILE QG 1 22 LYS HA 4.500 . 4.500 3.339 3.221 3.552 . 0 0 "[ . 1 . 2]" 1
230 1 21 ILE QG 1 22 LYS H 4.500 . 4.500 2.460 2.236 3.259 . 0 0 "[ . 1 . 2]" 1
231 1 21 ILE MD 1 21 ILE MG 3.500 . 3.500 1.882 1.774 3.011 0.026 1 0 "[ . 1 . 2]" 1
232 1 21 ILE MG 1 22 LYS H 4.500 . 4.500 4.038 3.926 4.094 . 0 0 "[ . 1 . 2]" 1
233 1 21 ILE MG 1 118 SER QB 4.500 . 4.500 3.140 2.816 3.185 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HG 1 21 ILE H 6.000 . 6.000 5.107 5.044 5.238 . 0 0 "[ . 1 . 2]" 1
235 1 21 ILE H 1 21 ILE MD 5.500 . 5.500 4.237 4.009 4.545 . 0 0 "[ . 1 . 2]" 1
236 1 21 ILE H 1 22 LYS HA 5.500 . 5.500 4.690 4.670 4.725 . 0 0 "[ . 1 . 2]" 1
237 1 21 ILE H 1 81 MET HA 5.500 . 5.500 4.550 4.305 4.837 . 0 0 "[ . 1 . 2]" 1
238 1 21 ILE H 1 81 MET QG 4.500 . 4.500 4.124 3.735 4.503 0.003 9 0 "[ . 1 . 2]" 1
239 1 21 ILE H 1 82 ILE MD 5.500 . 5.500 4.059 3.945 4.466 . 0 0 "[ . 1 . 2]" 1
240 1 21 ILE H 1 82 ILE MG 3.500 . 3.500 2.639 2.367 3.322 . 0 0 "[ . 1 . 2]" 1
241 1 21 ILE H 1 82 ILE H 4.500 . 4.500 2.974 2.743 3.242 . 0 0 "[ . 1 . 2]" 1
242 1 21 ILE H 1 83 ARG HA 5.500 . 5.500 4.192 4.045 4.329 . 0 0 "[ . 1 . 2]" 1
243 1 21 ILE H 1 83 ARG H 6.500 . 6.500 5.518 5.469 5.586 . 0 0 "[ . 1 . 2]" 1
244 1 22 LYS HA 1 23 ILE MG 4.500 . 4.500 3.270 3.121 3.426 . 0 0 "[ . 1 . 2]" 1
245 1 22 LYS HA 1 23 ILE H 3.500 . 3.500 2.220 2.199 2.238 . 0 0 "[ . 1 . 2]" 1
246 1 22 LYS HA 1 81 MET HA 3.500 . 3.500 2.990 2.869 3.069 . 0 0 "[ . 1 . 2]" 1
247 1 22 LYS HA 1 81 MET HG2 3.500 . 3.500 3.448 3.269 3.550 0.050 14 0 "[ . 1 . 2]" 1
248 1 22 LYS HA 1 82 ILE HB 6.500 . 6.500 6.008 5.803 6.545 0.045 8 0 "[ . 1 . 2]" 1
249 1 22 LYS HA 1 82 ILE H 4.500 . 4.500 4.048 3.836 4.203 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS HA 1 117 ILE HB 5.500 . 5.500 5.205 4.905 5.366 . 0 0 "[ . 1 . 2]" 1
251 1 22 LYS HA 1 117 ILE H 5.500 . 5.500 4.829 4.763 4.902 . 0 0 "[ . 1 . 2]" 1
252 1 22 LYS QB 1 23 ILE H 4.500 . 4.500 3.619 3.546 3.690 . 0 0 "[ . 1 . 2]" 1
253 1 22 LYS QB 1 117 ILE HB 4.500 . 4.500 3.075 2.662 3.263 . 0 0 "[ . 1 . 2]" 1
254 1 22 LYS HG3 1 117 ILE MD 5.500 . 5.500 4.154 3.331 4.719 . 0 0 "[ . 1 . 2]" 1
255 1 22 LYS HG2 1 117 ILE MD 3.500 . 3.500 2.924 2.049 3.514 0.014 18 0 "[ . 1 . 2]" 1
256 1 22 LYS QG 1 23 ILE MG 4.500 . 4.500 3.950 3.807 4.164 . 0 0 "[ . 1 . 2]" 1
257 1 22 LYS H 1 22 LYS HG3 5.500 . 5.500 4.639 4.323 4.894 . 0 0 "[ . 1 . 2]" 1
258 1 22 LYS H 1 22 LYS HG2 5.500 . 5.500 4.416 3.780 4.750 . 0 0 "[ . 1 . 2]" 1
259 1 22 LYS H 1 117 ILE HA 5.500 . 5.500 5.007 4.862 5.157 . 0 0 "[ . 1 . 2]" 1
260 1 22 LYS H 1 117 ILE HB 3.500 . 3.500 3.080 2.946 3.240 . 0 0 "[ . 1 . 2]" 1
261 1 22 LYS H 1 117 ILE MG 5.500 . 5.500 4.198 3.969 4.385 . 0 0 "[ . 1 . 2]" 1
262 1 22 LYS H 1 118 SER HA 4.500 . 4.500 4.093 3.825 4.191 . 0 0 "[ . 1 . 2]" 1
263 1 23 ILE HA 1 23 ILE MD 4.500 . 4.500 3.361 3.202 3.558 . 0 0 "[ . 1 . 2]" 1
264 1 23 ILE HA 1 23 ILE MG 3.500 . 3.500 3.156 3.123 3.179 . 0 0 "[ . 1 . 2]" 1
265 1 23 ILE HA 1 24 ILE HA 5.500 . 5.500 4.403 4.388 4.414 . 0 0 "[ . 1 . 2]" 1
266 1 23 ILE HA 1 24 ILE H 3.500 . 3.500 2.217 2.192 2.256 . 0 0 "[ . 1 . 2]" 1
267 1 23 ILE HA 1 116 VAL HA 4.500 . 4.500 2.080 1.919 2.400 . 0 0 "[ . 1 . 2]" 1
268 1 23 ILE HA 1 117 ILE H 3.500 . 3.500 2.960 2.838 3.078 . 0 0 "[ . 1 . 2]" 1
269 1 23 ILE HB 1 23 ILE MD 3.500 . 3.500 2.135 2.014 2.235 . 0 0 "[ . 1 . 2]" 1
270 1 23 ILE HB 1 80 ALA MB 4.500 . 4.500 4.515 4.297 4.573 0.073 10 0 "[ . 1 . 2]" 1
271 1 23 ILE MD 1 25 ASN HB2 4.500 . 4.500 4.443 4.356 4.529 0.029 3 0 "[ . 1 . 2]" 1
272 1 23 ILE MD 1 114 CYS HB3 4.500 . 4.500 2.440 1.941 3.162 . 0 0 "[ . 1 . 2]" 1
273 1 23 ILE MD 1 114 CYS QB 3.500 . 3.500 2.039 1.775 2.347 0.025 11 0 "[ . 1 . 2]" 1
274 1 23 ILE MD 1 116 VAL HA 5.500 . 5.500 2.816 2.436 3.172 . 0 0 "[ . 1 . 2]" 1
275 1 23 ILE HG13 1 79 GLN HB2 5.500 . 5.500 5.418 5.240 5.520 0.020 5 0 "[ . 1 . 2]" 1
276 1 23 ILE HG13 1 114 CYS HB2 5.500 . 5.500 4.066 2.764 4.399 . 0 0 "[ . 1 . 2]" 1
277 1 23 ILE HG13 1 116 VAL HA 4.500 . 4.500 3.470 3.349 3.626 . 0 0 "[ . 1 . 2]" 1
278 1 23 ILE HG12 1 79 GLN HB2 5.500 . 5.500 5.428 5.265 5.527 0.027 5 0 "[ . 1 . 2]" 1
279 1 23 ILE HG12 1 116 VAL HA 4.500 . 4.500 4.580 4.516 4.620 0.120 14 0 "[ . 1 . 2]" 1
280 1 23 ILE QG 1 24 ILE HA 4.500 . 4.500 3.486 3.442 3.552 . 0 0 "[ . 1 . 2]" 1
281 1 23 ILE QG 1 24 ILE H 4.500 . 4.500 2.088 1.985 2.182 . 0 0 "[ . 1 . 2]" 1
282 1 23 ILE QG 1 79 GLN HA 5.500 . 5.500 3.868 3.645 4.148 . 0 0 "[ . 1 . 2]" 1
283 1 23 ILE QG 1 80 ALA H 4.500 . 4.500 3.160 2.926 3.358 . 0 0 "[ . 1 . 2]" 1
284 1 23 ILE QG 1 114 CYS HA 5.500 . 5.500 4.632 4.409 4.854 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE MG 1 50 TYR QB 5.500 . 5.500 4.699 4.556 4.855 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE MG 1 79 GLN HA 4.500 . 4.500 3.811 3.725 3.917 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE MG 1 80 ALA HA 4.500 . 4.500 3.631 3.526 3.689 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE MG 1 80 ALA MB 4.500 . 4.500 2.039 1.799 2.168 0.001 20 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 80 ALA H 3.500 . 3.500 1.853 1.802 1.921 . 0 0 "[ . 1 . 2]" 1
290 1 23 ILE MG 1 81 MET HA 4.500 . 4.500 3.428 3.335 3.523 . 0 0 "[ . 1 . 2]" 1
291 1 22 LYS H 1 23 ILE H 5.500 . 5.500 4.431 4.386 4.467 . 0 0 "[ . 1 . 2]" 1
292 1 23 ILE H 1 23 ILE HB 3.500 . 3.500 3.465 3.387 3.529 0.029 20 0 "[ . 1 . 2]" 1
293 1 23 ILE H 1 23 ILE MD 5.500 . 5.500 4.804 4.776 4.825 . 0 0 "[ . 1 . 2]" 1
294 1 23 ILE H 1 23 ILE MG 3.500 . 3.500 2.141 2.085 2.198 . 0 0 "[ . 1 . 2]" 1
295 1 23 ILE H 1 79 GLN HA 5.500 . 5.500 4.741 4.478 4.991 . 0 0 "[ . 1 . 2]" 1
296 1 23 ILE H 1 80 ALA H 4.500 . 4.500 3.102 2.847 3.256 . 0 0 "[ . 1 . 2]" 1
297 1 23 ILE H 1 81 MET HA 4.500 . 4.500 3.779 3.625 3.893 . 0 0 "[ . 1 . 2]" 1
298 1 23 ILE H 1 81 MET HB2 5.500 . 5.500 5.558 5.506 5.606 0.106 9 0 "[ . 1 . 2]" 1
299 1 23 ILE H 1 81 MET H 5.500 . 5.500 5.200 5.108 5.286 . 0 0 "[ . 1 . 2]" 1
300 1 23 ILE H 1 116 VAL HA 5.500 . 5.500 4.689 4.586 4.922 . 0 0 "[ . 1 . 2]" 1
301 1 23 ILE H 1 117 ILE HB 6.500 . 6.500 5.804 5.462 5.980 . 0 0 "[ . 1 . 2]" 1
302 1 23 ILE H 1 117 ILE H 5.500 . 5.500 4.683 4.586 4.738 . 0 0 "[ . 1 . 2]" 1
303 1 24 ILE HA 1 24 ILE MG 3.500 . 3.500 2.245 2.103 2.362 . 0 0 "[ . 1 . 2]" 1
304 1 24 ILE HA 1 25 ASN HB2 5.500 . 5.500 4.621 4.577 4.680 . 0 0 "[ . 1 . 2]" 1
305 1 24 ILE HA 1 25 ASN H 3.500 . 3.500 2.691 2.645 2.726 . 0 0 "[ . 1 . 2]" 1
306 1 24 ILE HA 1 26 ILE H 4.500 . 4.500 4.176 4.094 4.265 . 0 0 "[ . 1 . 2]" 1
307 1 24 ILE HA 1 79 GLN HA 3.500 . 3.500 2.456 1.984 2.858 . 0 0 "[ . 1 . 2]" 1
308 1 24 ILE HA 1 79 GLN HB3 4.500 . 4.500 2.071 1.856 2.253 . 0 0 "[ . 1 . 2]" 1
309 1 24 ILE HA 1 79 GLN HB2 5.500 . 5.500 3.398 3.196 3.670 . 0 0 "[ . 1 . 2]" 1
310 1 24 ILE HA 1 80 ALA H 4.500 . 4.500 3.856 3.634 4.162 . 0 0 "[ . 1 . 2]" 1
311 1 24 ILE HA 1 114 CYS QB 5.500 . 5.500 5.047 4.848 5.320 . 0 0 "[ . 1 . 2]" 1
312 1 24 ILE HA 1 115 ASP HB2 5.500 . 5.500 5.383 5.088 5.525 0.025 19 0 "[ . 1 . 2]" 1
313 1 24 ILE HA 1 115 ASP H 5.500 . 5.500 4.956 4.836 5.078 . 0 0 "[ . 1 . 2]" 1
314 1 24 ILE HB 1 25 ASN H 3.500 . 3.500 1.843 1.797 1.891 0.003 12 0 "[ . 1 . 2]" 1
315 1 24 ILE HB 1 26 ILE H 4.500 . 4.500 4.547 4.525 4.586 0.086 18 0 "[ . 1 . 2]" 1
316 1 24 ILE HB 1 79 GLN HA 5.500 . 5.500 4.764 4.311 5.276 . 0 0 "[ . 1 . 2]" 1
317 1 24 ILE HB 1 115 ASP HB2 5.500 . 5.500 4.393 4.092 4.647 . 0 0 "[ . 1 . 2]" 1
318 1 24 ILE MD 1 25 ASN HA 4.500 . 4.500 3.580 3.090 4.417 . 0 0 "[ . 1 . 2]" 1
319 1 24 ILE MD 1 115 ASP H 4.500 . 4.500 3.114 2.292 3.720 . 0 0 "[ . 1 . 2]" 1
320 1 24 ILE H 1 24 ILE HG13 4.500 . 4.500 2.000 1.873 2.206 . 0 0 "[ . 1 . 2]" 1
321 1 24 ILE HG13 1 115 ASP HB3 4.500 . 4.500 2.559 2.140 3.023 . 0 0 "[ . 1 . 2]" 1
322 1 24 ILE H 1 24 ILE HG12 4.500 . 4.500 2.995 2.632 3.453 . 0 0 "[ . 1 . 2]" 1
323 1 24 ILE HG12 1 115 ASP HB3 4.500 . 4.500 3.108 2.418 3.748 . 0 0 "[ . 1 . 2]" 1
324 1 24 ILE QG 1 25 ASN HD21 4.500 . 4.500 3.447 2.371 4.062 . 0 0 "[ . 1 . 2]" 1
325 1 24 ILE QG 1 25 ASN H 4.500 . 4.500 3.519 3.344 3.633 . 0 0 "[ . 1 . 2]" 1
326 1 24 ILE QG 1 115 ASP HB3 4.500 . 4.500 2.438 2.035 2.898 . 0 0 "[ . 1 . 2]" 1
327 1 24 ILE QG 1 115 ASP HB2 4.500 . 4.500 2.032 1.838 2.373 . 0 0 "[ . 1 . 2]" 1
328 1 24 ILE QG 1 115 ASP H 4.500 . 4.500 2.845 2.544 3.267 . 0 0 "[ . 1 . 2]" 1
329 1 24 ILE MG 1 79 GLN HB3 4.500 . 4.500 2.151 1.850 2.456 . 0 0 "[ . 1 . 2]" 1
330 1 24 ILE MG 1 115 ASP HB3 6.500 . 6.500 4.523 3.907 5.170 . 0 0 "[ . 1 . 2]" 1
331 1 23 ILE H 1 24 ILE H 5.500 . 5.500 4.403 4.389 4.420 . 0 0 "[ . 1 . 2]" 1
332 1 24 ILE H 1 24 ILE QG 4.500 . 4.500 1.965 1.860 2.103 . 0 0 "[ . 1 . 2]" 1
333 1 24 ILE H 1 24 ILE MG 3.500 . 3.500 2.948 2.733 3.221 . 0 0 "[ . 1 . 2]" 1
334 1 24 ILE H 1 25 ASN HB2 5.500 . 5.500 4.248 4.139 4.339 . 0 0 "[ . 1 . 2]" 1
335 1 24 ILE H 1 25 ASN HD21 5.500 . 5.500 5.051 4.144 5.510 0.010 5 0 "[ . 1 . 2]" 1
336 1 24 ILE H 1 79 GLN HA 5.500 . 5.500 4.768 4.342 5.054 . 0 0 "[ . 1 . 2]" 1
337 1 24 ILE H 1 79 GLN HB3 4.500 . 4.500 4.446 4.250 4.539 0.039 10 0 "[ . 1 . 2]" 1
338 1 24 ILE H 1 114 CYS QB 5.500 . 5.500 4.283 4.071 4.484 . 0 0 "[ . 1 . 2]" 1
339 1 24 ILE H 1 115 ASP HB3 4.500 . 4.500 3.556 3.115 3.963 . 0 0 "[ . 1 . 2]" 1
340 1 24 ILE H 1 115 ASP HB2 4.500 . 4.500 3.585 3.245 3.770 . 0 0 "[ . 1 . 2]" 1
341 1 24 ILE H 1 115 ASP H 3.500 . 3.500 3.429 3.259 3.571 0.071 9 0 "[ . 1 . 2]" 1
342 1 24 ILE H 1 116 VAL HA 5.500 . 5.500 3.354 3.180 3.687 . 0 0 "[ . 1 . 2]" 1
343 1 25 ASN HA 1 25 ASN HD21 4.500 . 4.500 4.055 2.895 4.399 . 0 0 "[ . 1 . 2]" 1
344 1 25 ASN HA 1 25 ASN HD22 4.500 . 4.500 4.309 3.691 4.553 0.053 8 0 "[ . 1 . 2]" 1
345 1 25 ASN HA 1 26 ILE H 3.500 . 3.500 2.482 2.442 2.508 . 0 0 "[ . 1 . 2]" 1
346 1 25 ASN HA 1 115 ASP H 5.500 . 5.500 4.716 4.612 4.767 . 0 0 "[ . 1 . 2]" 1
347 1 25 ASN HB3 1 114 CYS HA 4.500 . 4.500 1.968 1.849 2.166 . 0 0 "[ . 1 . 2]" 1
348 1 25 ASN HB2 1 25 ASN HD21 3.500 . 3.500 2.205 2.113 2.551 . 0 0 "[ . 1 . 2]" 1
349 1 25 ASN HB2 1 26 ILE H 4.500 . 4.500 4.495 4.460 4.528 0.028 3 0 "[ . 1 . 2]" 1
350 1 25 ASN HB2 1 114 CYS HA 5.500 . 5.500 2.039 1.823 2.599 . 0 0 "[ . 1 . 2]" 1
351 1 25 ASN HB2 1 115 ASP H 4.500 . 4.500 1.824 1.792 1.868 0.008 16 0 "[ . 1 . 2]" 1
352 1 25 ASN HD21 1 114 CYS HA 5.500 . 5.500 3.154 2.306 4.536 . 0 0 "[ . 1 . 2]" 1
353 1 25 ASN HD21 1 115 ASP HB3 4.500 . 4.500 4.047 3.462 4.413 . 0 0 "[ . 1 . 2]" 1
354 1 25 ASN HD21 1 115 ASP HB2 4.500 . 4.500 2.399 1.918 2.860 . 0 0 "[ . 1 . 2]" 1
355 1 25 ASN HD21 1 115 ASP H 4.500 . 4.500 2.527 2.119 3.519 . 0 0 "[ . 1 . 2]" 1
356 1 25 ASN HD22 1 115 ASP H 5.500 . 5.500 4.109 3.507 4.806 . 0 0 "[ . 1 . 2]" 1
357 1 24 ILE MD 1 25 ASN H 3.500 . 3.500 2.760 2.394 3.352 . 0 0 "[ . 1 . 2]" 1
358 1 24 ILE HG13 1 25 ASN H 4.500 . 4.500 3.718 3.496 3.945 . 0 0 "[ . 1 . 2]" 1
359 1 24 ILE HG12 1 25 ASN H 4.500 . 4.500 4.372 4.134 4.555 0.055 12 0 "[ . 1 . 2]" 1
360 1 24 ILE H 1 25 ASN H 6.500 . 6.500 4.401 4.388 4.410 . 0 0 "[ . 1 . 2]" 1
361 1 25 ASN H 1 25 ASN HD22 6.500 . 6.500 4.957 4.081 5.258 . 0 0 "[ . 1 . 2]" 1
362 1 25 ASN H 1 26 ILE H 6.500 . 6.500 2.800 2.777 2.824 . 0 0 "[ . 1 . 2]" 1
363 1 25 ASN H 1 115 ASP HB2 5.500 . 5.500 4.871 4.638 5.047 . 0 0 "[ . 1 . 2]" 1
364 1 26 ILE HA 1 27 PRO QD 4.500 . 4.500 1.809 1.777 1.940 0.023 10 0 "[ . 1 . 2]" 1
365 1 26 ILE HA 1 27 PRO QG 4.500 . 4.500 3.714 3.644 3.851 . 0 0 "[ . 1 . 2]" 1
366 1 26 ILE HA 1 30 THR HB 6.500 . 6.500 5.311 4.833 6.019 . 0 0 "[ . 1 . 2]" 1
367 1 25 ASN HB3 1 26 ILE H 4.500 . 4.500 4.279 4.262 4.298 . 0 0 "[ . 1 . 2]" 1
368 1 26 ILE H 1 26 ILE HB 3.500 . 3.500 2.401 2.257 2.576 . 0 0 "[ . 1 . 2]" 1
369 1 26 ILE H 1 27 PRO HD3 5.500 . 5.500 4.467 4.369 4.692 . 0 0 "[ . 1 . 2]" 1
370 1 26 ILE H 1 27 PRO HD2 5.500 . 5.500 5.326 4.887 5.503 0.003 10 0 "[ . 1 . 2]" 1
371 1 26 ILE H 1 27 PRO QD 5.500 . 5.500 4.245 4.169 4.341 . 0 0 "[ . 1 . 2]" 1
372 1 26 ILE H 1 78 GLY HA3 5.500 . 5.500 3.925 2.959 5.046 . 0 0 "[ . 1 . 2]" 1
373 1 26 ILE H 1 78 GLY HA2 5.500 . 5.500 3.526 3.056 4.041 . 0 0 "[ . 1 . 2]" 1
374 1 27 PRO HA 1 28 GLN H 3.500 . 3.500 2.202 2.174 2.235 . 0 0 "[ . 1 . 2]" 1
375 1 27 PRO HA 1 30 THR HB 6.500 . 6.500 4.465 4.171 6.006 . 0 0 "[ . 1 . 2]" 1
376 1 27 PRO HB3 1 28 GLN H 4.500 . 4.500 3.474 3.247 3.914 . 0 0 "[ . 1 . 2]" 1
377 1 27 PRO HB2 1 28 GLN H 4.500 . 4.500 3.432 3.075 3.655 . 0 0 "[ . 1 . 2]" 1
378 1 28 GLN HB3 1 29 GLY H 5.500 . 5.500 3.985 3.362 4.366 . 0 0 "[ . 1 . 2]" 1
379 1 28 GLN HB2 1 29 GLY H 5.500 . 5.500 4.338 4.097 4.487 . 0 0 "[ . 1 . 2]" 1
380 1 28 GLN QB 1 29 GLY H 4.500 . 4.500 3.663 3.255 3.828 . 0 0 "[ . 1 . 2]" 1
381 1 28 GLN QG 1 29 GLY QA 5.500 . 5.500 3.627 3.066 4.439 . 0 0 "[ . 1 . 2]" 1
382 1 28 GLN QG 1 29 GLY H 4.500 . 4.500 2.870 2.602 3.253 . 0 0 "[ . 1 . 2]" 1
383 1 28 GLN H 1 28 GLN HB3 3.500 . 3.500 2.880 2.366 3.382 . 0 0 "[ . 1 . 2]" 1
384 1 28 GLN H 1 28 GLN HB2 3.500 . 3.500 2.276 2.061 2.704 . 0 0 "[ . 1 . 2]" 1
385 1 28 GLN H 1 28 GLN QB 3.500 . 3.500 2.152 2.042 2.250 . 0 0 "[ . 1 . 2]" 1
386 1 28 GLN H 1 29 GLY H 5.500 . 5.500 4.509 4.456 4.558 . 0 0 "[ . 1 . 2]" 1
387 1 29 GLY QA 1 30 THR H 3.500 . 3.500 2.620 2.578 2.653 . 0 0 "[ . 1 . 2]" 1
388 1 29 GLY QA 1 31 LEU H 5.500 . 5.500 5.158 4.982 5.285 . 0 0 "[ . 1 . 2]" 1
389 1 28 GLN HA 1 29 GLY H 3.500 . 3.500 2.120 2.099 2.136 . 0 0 "[ . 1 . 2]" 1
390 1 28 GLN HG3 1 29 GLY H 4.500 . 4.500 3.400 2.629 4.360 . 0 0 "[ . 1 . 2]" 1
391 1 28 GLN HG2 1 29 GLY H 4.500 . 4.500 3.387 2.703 4.431 . 0 0 "[ . 1 . 2]" 1
392 1 30 THR HA 1 30 THR MG 3.500 . 3.500 2.424 1.925 2.580 . 0 0 "[ . 1 . 2]" 1
393 1 30 THR HA 1 31 LEU HA 4.500 . 4.500 4.387 4.371 4.406 . 0 0 "[ . 1 . 2]" 1
394 1 30 THR HA 1 31 LEU HB2 5.500 . 5.500 5.073 4.929 5.269 . 0 0 "[ . 1 . 2]" 1
395 1 30 THR HA 1 31 LEU H 3.500 . 3.500 2.161 2.146 2.176 . 0 0 "[ . 1 . 2]" 1
396 1 30 THR HA 1 34 GLU HB2 5.500 . 5.500 4.603 4.350 4.835 . 0 0 "[ . 1 . 2]" 1
397 1 30 THR HA 1 34 GLU QG 4.500 . 4.500 2.833 2.587 2.995 . 0 0 "[ . 1 . 2]" 1
398 1 30 THR HA 1 110 ARG HD3 5.500 . 5.500 5.179 4.789 5.520 0.020 4 0 "[ . 1 . 2]" 1
399 1 30 THR HA 1 110 ARG HD2 5.500 . 5.500 4.018 3.641 4.712 . 0 0 "[ . 1 . 2]" 1
400 1 30 THR HA 1 110 ARG QD 5.500 . 5.500 3.885 3.550 4.442 . 0 0 "[ . 1 . 2]" 1
401 1 30 THR HB 1 109 ILE HG13 6.500 . 6.500 5.381 4.971 5.758 . 0 0 "[ . 1 . 2]" 1
402 1 30 THR HB 1 109 ILE HG12 6.500 . 6.500 6.208 5.331 6.535 0.035 10 0 "[ . 1 . 2]" 1
403 1 30 THR HB 1 110 ARG QD 5.500 . 5.500 3.848 3.574 4.218 . 0 0 "[ . 1 . 2]" 1
404 1 30 THR MG 1 31 LEU H 4.500 . 4.500 2.613 2.381 3.577 . 0 0 "[ . 1 . 2]" 1
405 1 30 THR MG 1 34 GLU HA 5.500 . 5.500 4.212 4.061 4.899 . 0 0 "[ . 1 . 2]" 1
406 1 30 THR MG 1 34 GLU HB2 3.500 . 3.500 1.882 1.741 2.804 0.059 20 0 "[ . 1 . 2]" 1
407 1 30 THR MG 1 34 GLU QG 4.500 . 4.500 1.782 1.728 1.942 0.072 16 0 "[ . 1 . 2]" 1
408 1 30 THR MG 1 34 GLU H 4.500 . 4.500 3.232 2.950 4.529 0.029 15 0 "[ . 1 . 2]" 1
409 1 30 THR MG 1 109 ILE MD 3.500 . 3.500 2.020 1.814 2.936 . 0 0 "[ . 1 . 2]" 1
410 1 30 THR MG 1 110 ARG QD 4.500 . 4.500 3.168 1.772 3.541 0.028 15 0 "[ . 1 . 2]" 1
411 1 28 GLN HA 1 30 THR H 4.500 . 4.500 4.192 4.138 4.260 . 0 0 "[ . 1 . 2]" 1
412 1 28 GLN H 1 30 THR H 6.500 . 6.500 4.542 4.467 4.627 . 0 0 "[ . 1 . 2]" 1
413 1 29 GLY H 1 30 THR H 3.500 . 3.500 3.520 3.479 3.553 0.053 3 0 "[ . 1 . 2]" 1
414 1 30 THR H 1 30 THR HB 3.500 . 3.500 2.675 2.464 3.621 0.121 15 0 "[ . 1 . 2]" 1
415 1 30 THR H 1 30 THR MG 4.500 . 4.500 3.691 2.560 3.796 . 0 0 "[ . 1 . 2]" 1
416 1 30 THR H 1 31 LEU H 5.500 . 5.500 4.506 4.439 4.547 . 0 0 "[ . 1 . 2]" 1
417 1 30 THR H 1 34 GLU HG3 6.500 . 6.500 5.236 4.954 5.427 . 0 0 "[ . 1 . 2]" 1
418 1 30 THR H 1 34 GLU HG2 6.500 . 6.500 5.747 5.445 5.957 . 0 0 "[ . 1 . 2]" 1
419 1 31 LEU HA 1 31 LEU MD1 4.500 . 4.500 2.887 1.989 4.071 . 0 0 "[ . 1 . 2]" 1
420 1 31 LEU HA 1 31 LEU QD 3.500 . 3.500 2.374 1.979 2.963 . 0 0 "[ . 1 . 2]" 1
421 1 31 LEU HA 1 31 LEU HG 4.500 . 4.500 3.582 3.069 3.945 . 0 0 "[ . 1 . 2]" 1
422 1 31 LEU HA 1 34 GLU H 5.500 . 5.500 5.091 5.012 5.165 . 0 0 "[ . 1 . 2]" 1
423 1 31 LEU HA 1 35 VAL QG 5.500 . 5.500 4.155 3.660 4.348 . 0 0 "[ . 1 . 2]" 1
424 1 31 LEU HB3 1 32 LYS HD3 5.500 . 5.500 5.230 4.408 5.554 0.054 20 0 "[ . 1 . 2]" 1
425 1 31 LEU HB3 1 32 LYS HD2 5.500 . 5.500 5.467 5.214 5.553 0.053 10 0 "[ . 1 . 2]" 1
426 1 31 LEU HB3 1 32 LYS HE3 3.500 . 3.500 3.018 2.595 3.363 . 0 0 "[ . 1 . 2]" 1
427 1 31 LEU HB3 1 32 LYS HE2 3.500 . 3.500 3.061 2.427 3.509 0.009 3 0 "[ . 1 . 2]" 1
428 1 31 LEU HB3 1 34 GLU QG 6.000 . 6.000 5.231 5.100 5.643 . 0 0 "[ . 1 . 2]" 1
429 1 31 LEU HB2 1 34 GLU QG 5.500 . 5.500 4.001 3.822 4.521 . 0 0 "[ . 1 . 2]" 1
430 1 31 LEU HB3 1 31 LEU MD1 3.500 . 3.500 2.612 2.434 2.801 . 0 0 "[ . 1 . 2]" 1
431 1 31 LEU QD 1 32 LYS HA 5.500 . 5.500 5.221 5.019 5.408 . 0 0 "[ . 1 . 2]" 1
432 1 31 LEU QD 1 32 LYS H 4.500 . 4.500 3.658 3.480 3.734 . 0 0 "[ . 1 . 2]" 1
433 1 31 LEU QD 1 33 ALA MB 3.500 . 3.500 2.789 2.216 3.021 . 0 0 "[ . 1 . 2]" 1
434 1 31 LEU QD 1 33 ALA H 3.500 . 3.500 3.420 2.972 3.585 0.085 10 0 "[ . 1 . 2]" 1
435 1 31 LEU QD 1 34 GLU H 5.500 . 5.500 3.850 3.211 4.694 . 0 0 "[ . 1 . 2]" 1
436 1 31 LEU HG 1 32 LYS H 4.500 . 4.500 4.541 4.452 4.641 0.141 11 0 "[ . 1 . 2]" 1
437 1 31 LEU H 1 31 LEU HB2 3.500 . 3.500 2.918 2.778 3.117 . 0 0 "[ . 1 . 2]" 1
438 1 31 LEU H 1 31 LEU MD1 3.500 . 3.500 2.668 1.949 3.501 0.001 9 0 "[ . 1 . 2]" 1
439 1 31 LEU H 1 31 LEU MD2 3.500 . 3.500 2.452 1.795 3.521 0.021 11 0 "[ . 1 . 2]" 1
440 1 31 LEU H 1 32 LYS H 6.500 . 6.500 4.440 4.340 4.489 . 0 0 "[ . 1 . 2]" 1
441 1 31 LEU H 1 33 ALA MB 5.500 . 5.500 4.151 3.964 4.399 . 0 0 "[ . 1 . 2]" 1
442 1 31 LEU H 1 33 ALA H 5.500 . 5.500 4.219 3.953 4.365 . 0 0 "[ . 1 . 2]" 1
443 1 31 LEU H 1 34 GLU HG3 4.500 . 4.500 3.487 3.294 3.817 . 0 0 "[ . 1 . 2]" 1
444 1 31 LEU H 1 34 GLU HG2 4.500 . 4.500 2.567 2.408 2.879 . 0 0 "[ . 1 . 2]" 1
445 1 31 LEU H 1 34 GLU H 4.500 . 4.500 3.725 3.564 3.847 . 0 0 "[ . 1 . 2]" 1
446 1 31 LEU H 1 35 VAL QG 5.500 . 5.500 4.672 4.443 4.835 . 0 0 "[ . 1 . 2]" 1
447 1 31 LEU H 1 35 VAL H 5.500 . 5.500 5.238 4.973 5.407 . 0 0 "[ . 1 . 2]" 1
448 1 32 LYS HA 1 32 LYS QE 5.500 . 5.500 3.902 3.324 4.305 . 0 0 "[ . 1 . 2]" 1
449 1 32 LYS HA 1 33 ALA HA 5.500 . 5.500 4.845 4.804 4.870 . 0 0 "[ . 1 . 2]" 1
450 1 32 LYS HA 1 35 VAL MG1 6.500 . 6.500 3.897 3.764 4.162 . 0 0 "[ . 1 . 2]" 1
451 1 32 LYS HA 1 35 VAL MG2 5.500 . 5.500 1.952 1.810 2.726 . 0 0 "[ . 1 . 2]" 1
452 1 32 LYS HA 1 35 VAL QG 4.500 . 4.500 1.946 1.807 2.691 . 0 0 "[ . 1 . 2]" 1
453 1 32 LYS HA 1 35 VAL H 4.500 . 4.500 3.131 3.003 3.298 . 0 0 "[ . 1 . 2]" 1
454 1 32 LYS HA 1 50 TYR QD 5.500 . 5.500 4.055 3.376 5.414 . 0 0 "[ . 1 . 2]" 1
455 1 32 LYS HB3 1 33 ALA H 5.500 . 5.500 3.891 3.646 3.948 . 0 0 "[ . 1 . 2]" 1
456 1 32 LYS HB2 1 35 VAL QG 5.500 . 5.500 3.680 3.339 5.003 . 0 0 "[ . 1 . 2]" 1
457 1 32 LYS HB2 1 36 VAL H 5.500 . 5.500 4.638 4.491 5.283 . 0 0 "[ . 1 . 2]" 1
458 1 32 LYS HB2 1 50 TYR QB 5.500 . 5.500 2.369 1.872 4.678 . 0 0 "[ . 1 . 2]" 1
459 1 32 LYS HB2 1 32 LYS HE3 4.500 . 4.500 3.939 1.860 4.503 0.003 4 0 "[ . 1 . 2]" 1
460 1 32 LYS HB2 1 32 LYS HE2 4.500 . 4.500 3.897 2.907 4.502 0.002 18 0 "[ . 1 . 2]" 1
461 1 32 LYS HG3 1 36 VAL H 5.500 . 5.500 4.959 4.786 5.319 . 0 0 "[ . 1 . 2]" 1
462 1 32 LYS HG2 1 36 VAL H 5.500 . 5.500 4.716 4.465 5.241 . 0 0 "[ . 1 . 2]" 1
463 1 32 LYS QG 1 35 VAL QG 4.500 . 4.500 4.170 3.362 4.388 . 0 0 "[ . 1 . 2]" 1
464 1 32 LYS QG 1 35 VAL H 5.500 . 5.500 4.836 4.653 5.181 . 0 0 "[ . 1 . 2]" 1
465 1 32 LYS QG 1 36 VAL HA 5.500 . 5.500 5.555 5.507 5.605 0.105 19 0 "[ . 1 . 2]" 1
466 1 32 LYS QG 1 36 VAL MG2 3.500 . 3.500 2.471 2.344 2.910 . 0 0 "[ . 1 . 2]" 1
467 1 32 LYS QG 1 36 VAL H 4.500 . 4.500 4.292 4.162 4.601 0.101 20 0 "[ . 1 . 2]" 1
468 1 32 LYS QG 1 50 TYR HA 5.500 . 5.500 5.358 3.887 5.552 0.052 6 0 "[ . 1 . 2]" 1
469 1 32 LYS QG 1 50 TYR QB 5.500 . 5.500 3.555 1.918 3.936 . 0 0 "[ . 1 . 2]" 1
470 1 32 LYS H 1 32 LYS HB3 3.500 . 3.500 2.360 2.185 3.530 0.030 20 0 "[ . 1 . 2]" 1
471 1 32 LYS H 1 32 LYS QG 4.500 . 4.500 3.058 2.675 3.327 . 0 0 "[ . 1 . 2]" 1
472 1 32 LYS H 1 33 ALA HA 5.500 . 5.500 5.194 5.157 5.274 . 0 0 "[ . 1 . 2]" 1
473 1 32 LYS H 1 33 ALA MB 5.500 . 5.500 4.310 4.232 4.398 . 0 0 "[ . 1 . 2]" 1
474 1 32 LYS H 1 35 VAL QG 5.500 . 5.500 3.861 3.762 4.105 . 0 0 "[ . 1 . 2]" 1
475 1 32 LYS H 1 50 TYR QD 5.500 . 5.500 3.093 1.918 4.903 . 0 0 "[ . 1 . 2]" 1
476 1 33 ALA HA 1 35 VAL QG 5.500 . 5.500 4.999 4.822 5.459 . 0 0 "[ . 1 . 2]" 1
477 1 33 ALA HA 1 36 VAL HB 3.500 . 3.500 2.835 2.697 3.155 . 0 0 "[ . 1 . 2]" 1
478 1 33 ALA HA 1 36 VAL MG2 3.500 . 3.500 2.834 2.590 3.592 0.092 20 0 "[ . 1 . 2]" 1
479 1 33 ALA HA 1 36 VAL H 4.500 . 4.500 3.595 3.429 4.083 . 0 0 "[ . 1 . 2]" 1
480 1 31 LEU HG 1 33 ALA MB 4.500 . 4.500 4.420 3.755 4.553 0.053 20 0 "[ . 1 . 2]" 1
481 1 32 LYS HA 1 33 ALA MB 5.500 . 5.500 4.945 4.929 4.966 . 0 0 "[ . 1 . 2]" 1
482 1 33 ALA MB 1 34 GLU QG 4.500 . 4.500 3.329 3.047 3.516 . 0 0 "[ . 1 . 2]" 1
483 1 33 ALA MB 1 34 GLU H 3.500 . 3.500 2.510 2.407 2.597 . 0 0 "[ . 1 . 2]" 1
484 1 33 ALA MB 1 36 VAL HB 5.500 . 5.500 4.250 4.114 4.632 . 0 0 "[ . 1 . 2]" 1
485 1 31 LEU HA 1 33 ALA H 5.500 . 5.500 4.255 4.144 4.391 . 0 0 "[ . 1 . 2]" 1
486 1 31 LEU MD1 1 33 ALA H 5.500 . 5.500 4.324 3.315 4.952 . 0 0 "[ . 1 . 2]" 1
487 1 31 LEU MD2 1 33 ALA H 5.500 . 5.500 4.060 3.001 5.036 . 0 0 "[ . 1 . 2]" 1
488 1 31 LEU HG 1 33 ALA H 5.500 . 5.500 4.691 4.151 4.799 . 0 0 "[ . 1 . 2]" 1
489 1 32 LYS H 1 33 ALA H 3.500 . 3.500 2.681 2.632 2.783 . 0 0 "[ . 1 . 2]" 1
490 1 33 ALA H 1 33 ALA MB 3.500 . 3.500 2.125 2.053 2.255 . 0 0 "[ . 1 . 2]" 1
491 1 33 ALA H 1 34 GLU HB3 6.500 . 6.500 6.347 6.304 6.389 . 0 0 "[ . 1 . 2]" 1
492 1 33 ALA H 1 35 VAL QG 5.500 . 5.500 4.089 3.909 4.407 . 0 0 "[ . 1 . 2]" 1
493 1 33 ALA H 1 35 VAL H 4.500 . 4.500 3.985 3.888 4.175 . 0 0 "[ . 1 . 2]" 1
494 1 33 ALA H 1 36 VAL H 5.500 . 5.500 4.582 4.526 4.638 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLU HA 1 34 GLU QG 3.500 . 3.500 3.289 3.240 3.330 . 0 0 "[ . 1 . 2]" 1
496 1 34 GLU HA 1 35 VAL QG 5.500 . 5.500 4.613 4.574 4.656 . 0 0 "[ . 1 . 2]" 1
497 1 34 GLU HA 1 37 LEU HB3 4.500 . 4.500 2.290 2.052 2.415 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLU HA 1 37 LEU HB2 3.500 . 3.500 3.518 3.416 3.590 0.090 14 0 "[ . 1 . 2]" 1
499 1 34 GLU HA 1 37 LEU MD1 5.500 . 5.500 3.727 3.114 4.681 . 0 0 "[ . 1 . 2]" 1
500 1 34 GLU HA 1 37 LEU MD2 5.500 . 5.500 4.481 2.024 5.063 . 0 0 "[ . 1 . 2]" 1
501 1 34 GLU HA 1 37 LEU QD 5.500 . 5.500 3.240 2.021 3.672 . 0 0 "[ . 1 . 2]" 1
502 1 34 GLU HA 1 38 ALA MB 5.500 . 5.500 4.457 4.184 4.705 . 0 0 "[ . 1 . 2]" 1
503 1 30 THR MG 1 34 GLU HB3 5.500 . 5.500 2.846 2.664 3.116 . 0 0 "[ . 1 . 2]" 1
504 1 34 GLU HB3 1 35 VAL HA 5.500 . 5.500 5.002 4.872 5.087 . 0 0 "[ . 1 . 2]" 1
505 1 34 GLU HB3 1 37 LEU HG 5.500 . 5.500 5.469 4.849 5.572 0.072 16 0 "[ . 1 . 2]" 1
506 1 34 GLU HB3 1 38 ALA H 5.500 . 5.500 5.088 4.773 5.329 . 0 0 "[ . 1 . 2]" 1
507 1 34 GLU HB3 1 109 ILE MD 5.500 . 5.500 3.276 2.627 3.807 . 0 0 "[ . 1 . 2]" 1
508 1 34 GLU HB2 1 109 ILE HA 5.500 . 5.500 5.371 5.102 5.512 0.012 5 0 "[ . 1 . 2]" 1
509 1 30 THR HA 1 34 GLU HG3 3.500 . 3.500 3.082 2.792 3.287 . 0 0 "[ . 1 . 2]" 1
510 1 31 LEU HA 1 34 GLU HG3 6.000 . 6.000 6.003 5.819 6.048 0.048 20 0 "[ . 1 . 2]" 1
511 1 33 ALA MB 1 34 GLU HG3 5.500 . 5.500 4.555 4.280 4.697 . 0 0 "[ . 1 . 2]" 1
512 1 34 GLU HG3 1 35 VAL H 5.500 . 5.500 4.795 4.605 4.864 . 0 0 "[ . 1 . 2]" 1
513 1 34 GLU HG3 1 110 ARG HB2 3.500 . 3.500 2.582 2.453 2.648 . 0 0 "[ . 1 . 2]" 1
514 1 34 GLU HG3 1 110 ARG HD3 6.500 . 6.500 4.574 4.413 4.785 . 0 0 "[ . 1 . 2]" 1
515 1 34 GLU HG3 1 110 ARG H 5.500 . 5.500 5.545 5.426 5.600 0.100 8 0 "[ . 1 . 2]" 1
516 1 30 THR HA 1 34 GLU HG2 3.500 . 3.500 3.307 2.962 3.485 . 0 0 "[ . 1 . 2]" 1
517 1 31 LEU HA 1 34 GLU HG2 5.500 . 5.500 4.744 4.599 4.960 . 0 0 "[ . 1 . 2]" 1
518 1 33 ALA MB 1 34 GLU HG2 5.500 . 5.500 3.423 3.109 3.638 . 0 0 "[ . 1 . 2]" 1
519 1 33 ALA H 1 34 GLU HG2 5.500 . 5.500 4.043 3.994 4.131 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLU HG2 1 35 VAL MG1 6.500 . 6.500 6.439 6.289 6.536 0.036 2 0 "[ . 1 . 2]" 1
521 1 34 GLU HG2 1 35 VAL H 5.500 . 5.500 3.596 3.447 3.678 . 0 0 "[ . 1 . 2]" 1
522 1 34 GLU HG2 1 110 ARG HB2 4.500 . 4.500 3.888 3.748 4.038 . 0 0 "[ . 1 . 2]" 1
523 1 34 GLU HG2 1 110 ARG HD3 6.500 . 6.500 6.127 5.856 6.506 0.006 11 0 "[ . 1 . 2]" 1
524 1 34 GLU QG 1 109 ILE MD 4.500 . 4.500 3.615 3.281 3.962 . 0 0 "[ . 1 . 2]" 1
525 1 30 THR HA 1 34 GLU H 5.500 . 5.500 5.043 4.749 5.252 . 0 0 "[ . 1 . 2]" 1
526 1 32 LYS HA 1 34 GLU H 5.500 . 5.500 4.291 4.214 4.411 . 0 0 "[ . 1 . 2]" 1
527 1 33 ALA H 1 34 GLU H 3.500 . 3.500 2.803 2.760 2.848 . 0 0 "[ . 1 . 2]" 1
528 1 34 GLU H 1 34 GLU HB3 3.500 . 3.500 3.551 3.534 3.565 0.065 12 0 "[ . 1 . 2]" 1
529 1 34 GLU H 1 34 GLU HB2 3.500 . 3.500 2.934 2.870 3.034 . 0 0 "[ . 1 . 2]" 1
530 1 34 GLU H 1 34 GLU HG3 3.500 . 3.500 3.417 3.390 3.437 . 0 0 "[ . 1 . 2]" 1
531 1 34 GLU H 1 34 GLU HG2 3.500 . 3.500 1.876 1.812 1.951 . 0 0 "[ . 1 . 2]" 1
532 1 34 GLU H 1 35 VAL HA 5.500 . 5.500 5.172 5.154 5.198 . 0 0 "[ . 1 . 2]" 1
533 1 34 GLU H 1 35 VAL H 3.500 . 3.500 2.526 2.499 2.572 . 0 0 "[ . 1 . 2]" 1
534 1 34 GLU H 1 36 VAL HB 5.500 . 5.500 5.139 4.933 5.281 . 0 0 "[ . 1 . 2]" 1
535 1 34 GLU H 1 36 VAL H 4.500 . 4.500 4.002 3.942 4.082 . 0 0 "[ . 1 . 2]" 1
536 1 34 GLU H 1 37 LEU H 6.500 . 6.500 4.561 4.394 4.641 . 0 0 "[ . 1 . 2]" 1
537 1 34 GLU H 1 109 ILE MD 5.500 . 5.500 4.403 4.130 4.761 . 0 0 "[ . 1 . 2]" 1
538 1 35 VAL HA 1 35 VAL MG1 3.500 . 3.500 2.127 2.081 2.170 . 0 0 "[ . 1 . 2]" 1
539 1 35 VAL HA 1 38 ALA MB 4.500 . 4.500 3.105 2.647 3.359 . 0 0 "[ . 1 . 2]" 1
540 1 35 VAL HA 1 38 ALA H 4.500 . 4.500 3.799 3.696 3.961 . 0 0 "[ . 1 . 2]" 1
541 1 35 VAL HA 1 109 ILE MD 3.500 . 3.500 2.105 1.844 2.483 . 0 0 "[ . 1 . 2]" 1
542 1 35 VAL HA 1 109 ILE MG 4.500 . 4.500 2.533 2.077 2.786 . 0 0 "[ . 1 . 2]" 1
543 1 35 VAL HB 1 36 VAL H 3.500 . 3.500 2.616 2.558 2.657 . 0 0 "[ . 1 . 2]" 1
544 1 35 VAL HB 1 50 TYR QB 5.500 . 5.500 3.981 3.447 4.428 . 0 0 "[ . 1 . 2]" 1
545 1 35 VAL HB 1 80 ALA HA 5.500 . 5.500 5.513 5.446 5.569 0.069 13 0 "[ . 1 . 2]" 1
546 1 35 VAL MG1 1 36 VAL H 4.500 . 4.500 3.827 3.724 3.884 . 0 0 "[ . 1 . 2]" 1
547 1 35 VAL MG1 1 50 TYR QD 5.500 . 5.500 5.337 4.686 5.572 0.072 12 0 "[ . 1 . 2]" 1
548 1 35 VAL MG1 1 80 ALA MB 4.500 . 4.500 1.772 1.743 1.797 0.057 20 0 "[ . 1 . 2]" 1
549 1 35 VAL MG2 1 50 TYR QD 6.000 . 6.000 4.203 3.646 4.648 . 0 0 "[ . 1 . 2]" 1
550 1 35 VAL MG2 1 80 ALA MB 4.500 . 4.500 2.327 2.169 2.537 . 0 0 "[ . 1 . 2]" 1
551 1 35 VAL QG 1 36 VAL H 3.500 . 3.500 3.204 3.132 3.245 . 0 0 "[ . 1 . 2]" 1
552 1 35 VAL QG 1 37 LEU H 5.500 . 5.500 4.775 4.708 4.827 . 0 0 "[ . 1 . 2]" 1
553 1 35 VAL QG 1 38 ALA MB 4.500 . 4.500 3.764 3.539 3.913 . 0 0 "[ . 1 . 2]" 1
554 1 35 VAL QG 1 38 ALA H 5.500 . 5.500 4.635 4.548 4.797 . 0 0 "[ . 1 . 2]" 1
555 1 35 VAL QG 1 39 VAL MG1 4.500 . 4.500 3.013 2.847 3.440 . 0 0 "[ . 1 . 2]" 1
556 1 35 VAL QG 1 39 VAL H 5.500 . 5.500 4.404 4.298 4.539 . 0 0 "[ . 1 . 2]" 1
557 1 35 VAL QG 1 50 TYR HA 5.500 . 5.500 4.412 4.101 4.739 . 0 0 "[ . 1 . 2]" 1
558 1 35 VAL QG 1 50 TYR QB 4.500 . 4.500 2.941 2.466 3.309 . 0 0 "[ . 1 . 2]" 1
559 1 35 VAL QG 1 50 TYR QD 4.500 . 4.500 4.052 3.526 4.428 . 0 0 "[ . 1 . 2]" 1
560 1 35 VAL QG 1 80 ALA HA 5.500 . 5.500 3.892 3.858 3.957 . 0 0 "[ . 1 . 2]" 1
561 1 35 VAL QG 1 80 ALA MB 3.500 . 3.500 1.718 1.693 1.757 0.107 6 0 "[ . 1 . 2]" 1
562 1 35 VAL QG 1 109 ILE MG 4.500 . 4.500 2.972 2.659 3.157 . 0 0 "[ . 1 . 2]" 1
563 1 35 VAL H 1 35 VAL MG1 4.500 . 4.500 3.763 3.745 3.780 . 0 0 "[ . 1 . 2]" 1
564 1 35 VAL H 1 35 VAL MG2 3.500 . 3.500 1.870 1.800 2.020 . 0 0 "[ . 1 . 2]" 1
565 1 35 VAL H 1 35 VAL QG 3.500 . 3.500 1.865 1.797 2.012 0.003 2 0 "[ . 1 . 2]" 1
566 1 35 VAL H 1 36 VAL HA 5.500 . 5.500 5.157 5.119 5.246 . 0 0 "[ . 1 . 2]" 1
567 1 35 VAL H 1 36 VAL H 3.500 . 3.500 2.485 2.428 2.599 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL H 1 37 LEU H 4.500 . 4.500 4.061 3.960 4.118 . 0 0 "[ . 1 . 2]" 1
569 1 35 VAL H 1 38 ALA MB 5.500 . 5.500 4.874 4.557 5.110 . 0 0 "[ . 1 . 2]" 1
570 1 35 VAL H 1 109 ILE MD 3.500 . 3.500 3.068 2.855 3.383 . 0 0 "[ . 1 . 2]" 1
571 1 35 VAL H 1 109 ILE QG 5.500 . 5.500 5.235 4.947 5.448 . 0 0 "[ . 1 . 2]" 1
572 1 36 VAL HA 1 36 VAL MG2 3.500 . 3.500 2.365 2.269 2.446 . 0 0 "[ . 1 . 2]" 1
573 1 36 VAL HA 1 37 LEU HA 5.500 . 5.500 4.845 4.790 4.874 . 0 0 "[ . 1 . 2]" 1
574 1 36 VAL HA 1 38 ALA MB 5.500 . 5.500 5.073 4.861 5.266 . 0 0 "[ . 1 . 2]" 1
575 1 36 VAL HA 1 39 VAL MG1 5.500 . 5.500 3.675 3.553 3.890 . 0 0 "[ . 1 . 2]" 1
576 1 36 VAL HA 1 39 VAL MG2 3.500 . 3.500 1.874 1.784 2.035 0.016 4 0 "[ . 1 . 2]" 1
577 1 36 VAL HA 1 39 VAL H 4.500 . 4.500 3.635 3.530 3.773 . 0 0 "[ . 1 . 2]" 1
578 1 36 VAL HA 1 46 PHE QE 4.500 . 4.500 3.333 3.201 3.486 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL HA 1 48 CYS QB 5.500 . 5.500 3.184 2.972 3.439 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL H 1 36 VAL HB 3.500 . 3.500 2.531 2.408 2.595 . 0 0 "[ . 1 . 2]" 1
581 1 36 VAL HB 1 37 LEU H 5.500 . 5.500 2.406 2.314 2.537 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL HA 1 36 VAL MG1 3.500 . 3.500 2.299 2.243 2.380 . 0 0 "[ . 1 . 2]" 1
583 1 36 VAL MG1 1 37 LEU HA 4.500 . 4.500 3.513 3.306 3.658 . 0 0 "[ . 1 . 2]" 1
584 1 36 VAL MG1 1 37 LEU H 3.500 . 3.500 3.348 3.127 3.522 0.022 14 0 "[ . 1 . 2]" 1
585 1 36 VAL MG1 1 46 PHE HZ 4.500 . 4.500 4.549 4.504 4.611 0.111 5 0 "[ . 1 . 2]" 1
586 1 36 VAL MG2 1 46 PHE QE 4.500 . 4.500 4.336 4.184 4.492 . 0 0 "[ . 1 . 2]" 1
587 1 36 VAL MG2 1 48 CYS HA 5.500 . 5.500 4.001 3.886 4.341 . 0 0 "[ . 1 . 2]" 1
588 1 36 VAL MG2 1 48 CYS QB 4.500 . 4.500 1.821 1.758 2.069 0.042 9 0 "[ . 1 . 2]" 1
589 1 36 VAL MG2 1 48 CYS H 5.500 . 5.500 2.940 2.743 3.386 . 0 0 "[ . 1 . 2]" 1
590 1 33 ALA MB 1 36 VAL H 5.500 . 5.500 4.617 4.521 4.911 . 0 0 "[ . 1 . 2]" 1
591 1 35 VAL MG2 1 36 VAL H 3.500 . 3.500 3.441 3.308 3.541 0.041 3 0 "[ . 1 . 2]" 1
592 1 36 VAL H 1 36 VAL MG2 3.500 . 3.500 2.287 2.141 2.425 . 0 0 "[ . 1 . 2]" 1
593 1 36 VAL H 1 37 LEU H 3.500 . 3.500 2.630 2.564 2.658 . 0 0 "[ . 1 . 2]" 1
594 1 36 VAL H 1 38 ALA H 4.500 . 4.500 4.111 3.960 4.407 . 0 0 "[ . 1 . 2]" 1
595 1 37 LEU HA 1 37 LEU QD 3.500 . 3.500 2.117 1.836 2.918 . 0 0 "[ . 1 . 2]" 1
596 1 37 LEU HA 1 37 LEU HG 4.500 . 4.500 3.709 3.302 3.823 . 0 0 "[ . 1 . 2]" 1
597 1 37 LEU HA 1 39 VAL H 5.500 . 5.500 4.642 4.438 4.723 . 0 0 "[ . 1 . 2]" 1
598 1 37 LEU HA 1 40 ARG QB 4.500 . 4.500 2.863 1.940 3.152 . 0 0 "[ . 1 . 2]" 1
599 1 37 LEU HA 1 40 ARG HD3 4.500 . 4.500 4.292 3.288 4.548 0.048 9 0 "[ . 1 . 2]" 1
600 1 37 LEU HA 1 40 ARG HD2 4.500 . 4.500 2.906 2.436 4.703 0.203 16 0 "[ . 1 . 2]" 1
601 1 37 LEU HA 1 40 ARG QD 4.500 . 4.500 2.784 2.419 4.042 . 0 0 "[ . 1 . 2]" 1
602 1 37 LEU HA 1 40 ARG H 4.500 . 4.500 3.789 3.073 3.920 . 0 0 "[ . 1 . 2]" 1
603 1 37 LEU HB3 1 38 ALA H 3.500 . 3.500 2.701 2.507 2.971 . 0 0 "[ . 1 . 2]" 1
604 1 37 LEU HB2 1 37 LEU MD1 3.500 . 3.500 2.972 2.132 3.185 . 0 0 "[ . 1 . 2]" 1
605 1 37 LEU HB2 1 37 LEU MD2 3.500 . 3.500 2.505 2.415 2.588 . 0 0 "[ . 1 . 2]" 1
606 1 37 LEU QD 1 38 ALA HA 3.500 . 3.500 2.608 2.254 3.529 0.029 13 0 "[ . 1 . 2]" 1
607 1 37 LEU QD 1 38 ALA H 4.500 . 4.500 2.718 2.325 3.233 . 0 0 "[ . 1 . 2]" 1
608 1 34 GLU HB3 1 37 LEU H 6.500 . 6.500 5.370 5.265 5.521 . 0 0 "[ . 1 . 2]" 1
609 1 37 LEU H 1 37 LEU MD1 4.500 . 4.500 3.976 3.679 4.397 . 0 0 "[ . 1 . 2]" 1
610 1 37 LEU H 1 37 LEU MD2 4.500 . 4.500 4.037 3.770 4.137 . 0 0 "[ . 1 . 2]" 1
611 1 37 LEU H 1 37 LEU QD 4.500 . 4.500 3.555 3.424 3.689 . 0 0 "[ . 1 . 2]" 1
612 1 37 LEU H 1 37 LEU HG 5.500 . 5.500 4.488 3.954 4.596 . 0 0 "[ . 1 . 2]" 1
613 1 37 LEU H 1 38 ALA MB 4.500 . 4.500 4.427 4.299 4.499 . 0 0 "[ . 1 . 2]" 1
614 1 37 LEU H 1 38 ALA H 3.500 . 3.500 2.785 2.701 2.835 . 0 0 "[ . 1 . 2]" 1
615 1 37 LEU H 1 39 VAL MG2 4.500 . 4.500 3.916 3.763 4.032 . 0 0 "[ . 1 . 2]" 1
616 1 38 ALA HA 1 41 HIS HB3 5.500 . 5.500 3.293 2.802 4.529 . 0 0 "[ . 1 . 2]" 1
617 1 38 ALA HA 1 41 HIS QB 4.500 . 4.500 2.921 2.743 3.292 . 0 0 "[ . 1 . 2]" 1
618 1 38 ALA MB 1 39 VAL H 3.500 . 3.500 2.512 2.395 2.600 . 0 0 "[ . 1 . 2]" 1
619 1 38 ALA H 1 38 ALA MB 3.500 . 3.500 2.136 2.060 2.269 . 0 0 "[ . 1 . 2]" 1
620 1 38 ALA H 1 39 VAL MG1 4.500 . 4.500 4.369 4.213 4.534 0.034 16 0 "[ . 1 . 2]" 1
621 1 38 ALA H 1 39 VAL MG2 4.500 . 4.500 3.536 3.444 3.729 . 0 0 "[ . 1 . 2]" 1
622 1 38 ALA H 1 39 VAL H 3.500 . 3.500 2.649 2.574 2.799 . 0 0 "[ . 1 . 2]" 1
623 1 38 ALA H 1 40 ARG H 4.500 . 4.500 4.164 3.831 4.358 . 0 0 "[ . 1 . 2]" 1
624 1 39 VAL HA 1 39 VAL MG1 3.500 . 3.500 2.313 2.183 2.366 . 0 0 "[ . 1 . 2]" 1
625 1 39 VAL HA 1 39 VAL MG2 3.500 . 3.500 3.195 3.191 3.200 . 0 0 "[ . 1 . 2]" 1
626 1 39 VAL HA 1 41 HIS QB 5.500 . 5.500 5.011 4.793 5.208 . 0 0 "[ . 1 . 2]" 1
627 1 39 VAL HA 1 82 ILE MD 6.000 . 6.000 6.135 6.089 6.178 0.178 8 0 "[ . 1 . 2]" 1
628 1 36 VAL HA 1 39 VAL HB 5.500 . 5.500 4.556 4.417 4.782 . 0 0 "[ . 1 . 2]" 1
629 1 39 VAL HB 1 40 ARG H 4.500 . 4.500 3.439 3.351 3.791 . 0 0 "[ . 1 . 2]" 1
630 1 39 VAL HB 1 46 PHE QD 5.500 . 5.500 4.739 4.665 4.828 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL HB 1 82 ILE MG 4.500 . 4.500 4.192 4.078 4.259 . 0 0 "[ . 1 . 2]" 1
632 1 39 VAL MG1 1 40 ARG HA 5.500 . 5.500 5.380 5.349 5.463 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL MG1 1 40 ARG H 4.500 . 4.500 3.900 3.854 4.096 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL MG1 1 46 PHE QE 5.500 . 5.500 3.511 3.410 3.619 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL MG1 1 48 CYS QB 5.500 . 5.500 4.327 4.127 4.484 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL MG1 1 82 ILE HA 5.500 . 5.500 5.523 5.385 5.618 0.118 4 0 "[ . 1 . 2]" 1
637 1 39 VAL MG1 1 82 ILE HB 4.500 . 4.500 3.519 3.387 3.638 . 0 0 "[ . 1 . 2]" 1
638 1 36 VAL MG2 1 39 VAL MG2 4.500 . 4.500 3.428 3.276 3.548 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL MG2 1 40 ARG QB 4.500 . 4.500 2.841 2.621 3.419 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL MG2 1 46 PHE QD 4.500 . 4.500 3.595 3.558 3.616 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL MG2 1 48 CYS QB 4.500 . 4.500 3.241 3.100 3.348 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL MG2 1 82 ILE MD 4.500 . 4.500 3.781 3.666 3.885 . 0 0 "[ . 1 . 2]" 1
643 1 37 LEU MD1 1 39 VAL H 5.500 . 5.500 4.720 4.383 5.556 0.056 5 0 "[ . 1 . 2]" 1
644 1 37 LEU MD2 1 39 VAL H 5.500 . 5.500 5.385 5.140 5.597 0.097 5 0 "[ . 1 . 2]" 1
645 1 39 VAL H 1 39 VAL HB 3.500 . 3.500 3.579 3.569 3.594 0.094 5 0 "[ . 1 . 2]" 1
646 1 39 VAL H 1 39 VAL MG1 4.500 . 4.500 2.356 2.225 2.531 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL H 1 39 VAL MG2 3.500 . 3.500 1.814 1.784 1.841 0.016 17 0 "[ . 1 . 2]" 1
648 1 39 VAL H 1 40 ARG HB2 5.500 . 5.500 5.452 4.412 5.797 0.297 9 0 "[ . 1 . 2]" 1
649 1 39 VAL H 1 41 HIS H 5.500 . 5.500 4.206 4.056 4.431 . 0 0 "[ . 1 . 2]" 1
650 1 39 VAL H 1 42 LEU H 6.500 . 6.500 5.367 5.244 5.485 . 0 0 "[ . 1 . 2]" 1
651 1 40 ARG HA 1 40 ARG HD3 5.500 . 5.500 4.097 3.304 4.531 . 0 0 "[ . 1 . 2]" 1
652 1 40 ARG HA 1 40 ARG HD2 4.500 . 4.500 4.096 2.314 4.426 . 0 0 "[ . 1 . 2]" 1
653 1 40 ARG HA 1 40 ARG QD 4.500 . 4.500 3.623 2.271 3.792 . 0 0 "[ . 1 . 2]" 1
654 1 40 ARG HA 1 44 TYR HB2 5.500 . 5.500 4.249 4.073 4.753 . 0 0 "[ . 1 . 2]" 1
655 1 40 ARG HA 1 44 TYR H 4.500 . 4.500 3.203 3.057 3.313 . 0 0 "[ . 1 . 2]" 1
656 1 40 ARG HA 1 46 PHE QD 4.500 . 4.500 4.105 3.944 4.498 . 0 0 "[ . 1 . 2]" 1
657 1 40 ARG HA 1 46 PHE QE 3.500 . 3.500 2.573 2.403 2.985 . 0 0 "[ . 1 . 2]" 1
658 1 40 ARG HB2 1 46 PHE H 5.500 . 5.500 3.264 2.947 5.565 0.065 16 0 "[ . 1 . 2]" 1
659 1 40 ARG QB 1 40 ARG QD 3.500 . 3.500 2.066 1.972 2.164 . 0 0 "[ . 1 . 2]" 1
660 1 40 ARG QD 1 43 GLY H 5.500 . 5.500 5.474 5.079 5.663 0.163 16 0 "[ . 1 . 2]" 1
661 1 40 ARG QD 1 46 PHE QE 5.500 . 5.500 5.297 2.549 5.528 0.028 2 0 "[ . 1 . 2]" 1
662 1 40 ARG QG 1 41 HIS H 5.500 . 5.500 3.563 1.776 4.359 0.024 9 0 "[ . 1 . 2]" 1
663 1 40 ARG QG 1 42 LEU QB 5.500 . 5.500 5.334 5.166 5.554 0.054 16 0 "[ . 1 . 2]" 1
664 1 39 VAL HA 1 40 ARG H 3.500 . 3.500 3.541 3.482 3.558 0.058 15 0 "[ . 1 . 2]" 1
665 1 39 VAL MG2 1 40 ARG H 3.500 . 3.500 1.827 1.783 2.289 0.017 13 0 "[ . 1 . 2]" 1
666 1 39 VAL H 1 40 ARG H 3.500 . 3.500 2.664 2.426 2.706 . 0 0 "[ . 1 . 2]" 1
667 1 40 ARG H 1 40 ARG HB3 3.500 . 3.500 2.256 2.114 3.391 . 0 0 "[ . 1 . 2]" 1
668 1 40 ARG H 1 40 ARG QB 3.500 . 3.500 2.131 2.092 2.191 . 0 0 "[ . 1 . 2]" 1
669 1 40 ARG H 1 40 ARG QD 5.500 . 5.500 3.653 2.635 4.324 . 0 0 "[ . 1 . 2]" 1
670 1 40 ARG H 1 41 HIS QB 5.500 . 5.500 4.368 4.283 4.520 . 0 0 "[ . 1 . 2]" 1
671 1 40 ARG H 1 41 HIS H 5.500 . 5.500 2.717 2.678 2.817 . 0 0 "[ . 1 . 2]" 1
672 1 40 ARG H 1 46 PHE QE 4.500 . 4.500 3.592 3.485 3.991 . 0 0 "[ . 1 . 2]" 1
673 1 41 HIS QB 1 41 HIS HD2 3.500 . 3.500 2.829 2.627 3.267 . 0 0 "[ . 1 . 2]" 1
674 1 41 HIS QB 1 42 LEU H 4.500 . 4.500 2.992 2.899 3.116 . 0 0 "[ . 1 . 2]" 1
675 1 41 HIS H 1 43 GLY H 5.500 . 5.500 5.541 5.502 5.579 0.079 4 0 "[ . 1 . 2]" 1
676 1 41 HIS HB3 1 42 LEU HA 5.500 . 5.500 4.302 3.966 4.681 . 0 0 "[ . 1 . 2]" 1
677 1 42 LEU HA 1 42 LEU MD1 4.500 . 4.500 2.077 1.866 2.615 . 0 0 "[ . 1 . 2]" 1
678 1 42 LEU HA 1 42 LEU MD2 4.500 . 4.500 3.765 2.342 3.922 . 0 0 "[ . 1 . 2]" 1
679 1 42 LEU HA 1 42 LEU QD 3.500 . 3.500 2.048 1.862 2.270 . 0 0 "[ . 1 . 2]" 1
680 1 42 LEU HA 1 44 TYR H 5.500 . 5.500 5.251 5.211 5.368 . 0 0 "[ . 1 . 2]" 1
681 1 42 LEU HB3 1 43 GLY H 4.500 . 4.500 2.070 1.825 2.155 . 0 0 "[ . 1 . 2]" 1
682 1 42 LEU HB2 1 43 GLY H 4.500 . 4.500 3.523 3.410 3.564 . 0 0 "[ . 1 . 2]" 1
683 1 42 LEU HB2 1 44 TYR H 5.500 . 5.500 5.283 5.071 5.326 . 0 0 "[ . 1 . 2]" 1
684 1 42 LEU QB 1 93 ALA MB 4.500 . 4.500 3.354 2.891 3.410 . 0 0 "[ . 1 . 2]" 1
685 1 42 LEU MD1 1 97 LEU HB3 5.500 . 5.500 5.428 4.934 5.519 0.019 5 0 "[ . 1 . 2]" 1
686 1 42 LEU MD1 1 97 LEU HB2 5.500 . 5.500 5.412 4.839 5.536 0.036 4 0 "[ . 1 . 2]" 1
687 1 42 LEU HB3 1 42 LEU MD2 3.500 . 3.500 2.429 2.276 3.173 . 0 0 "[ . 1 . 2]" 1
688 1 42 LEU HB2 1 42 LEU MD2 3.500 . 3.500 2.264 2.132 2.412 . 0 0 "[ . 1 . 2]" 1
689 1 42 LEU MD2 1 96 LYS HB3 3.500 . 3.500 2.935 2.347 3.494 . 0 0 "[ . 1 . 2]" 1
690 1 42 LEU MD2 1 96 LYS HB2 3.500 . 3.500 2.844 2.226 3.510 0.010 5 0 "[ . 1 . 2]" 1
691 1 42 LEU MD2 1 96 LYS H 4.500 . 4.500 4.036 3.803 4.530 0.030 5 0 "[ . 1 . 2]" 1
692 1 42 LEU MD2 1 97 LEU HA 4.500 . 4.500 3.703 2.126 4.132 . 0 0 "[ . 1 . 2]" 1
693 1 42 LEU MD2 1 97 LEU H 5.500 . 5.500 2.840 2.502 3.233 . 0 0 "[ . 1 . 2]" 1
694 1 42 LEU QD 1 43 GLY QA 5.500 . 5.500 3.064 2.204 3.332 . 0 0 "[ . 1 . 2]" 1
695 1 42 LEU QD 1 43 GLY H 5.500 . 5.500 3.016 2.287 3.187 . 0 0 "[ . 1 . 2]" 1
696 1 39 VAL MG2 1 42 LEU H 6.500 . 6.500 5.033 4.953 5.108 . 0 0 "[ . 1 . 2]" 1
697 1 40 ARG HB3 1 42 LEU H 5.500 . 5.500 4.893 4.574 5.209 . 0 0 "[ . 1 . 2]" 1
698 1 40 ARG HD3 1 42 LEU H 6.000 . 6.000 4.628 4.194 6.172 0.172 16 0 "[ . 1 . 2]" 1
699 1 40 ARG H 1 42 LEU H 6.500 . 6.500 4.145 3.952 4.239 . 0 0 "[ . 1 . 2]" 1
700 1 41 HIS H 1 42 LEU H 3.500 . 3.500 2.903 2.809 2.946 . 0 0 "[ . 1 . 2]" 1
701 1 42 LEU H 1 42 LEU QB 3.500 . 3.500 2.180 2.150 2.207 . 0 0 "[ . 1 . 2]" 1
702 1 42 LEU H 1 43 GLY HA3 5.500 . 5.500 5.600 5.589 5.622 0.122 16 0 "[ . 1 . 2]" 1
703 1 42 LEU H 1 43 GLY H 3.500 . 3.500 3.219 3.204 3.263 . 0 0 "[ . 1 . 2]" 1
704 1 42 LEU H 1 46 PHE QE 5.500 . 5.500 4.846 4.625 5.062 . 0 0 "[ . 1 . 2]" 1
705 1 43 GLY HA2 1 44 TYR HB3 6.500 . 6.500 6.250 6.221 6.271 . 0 0 "[ . 1 . 2]" 1
706 1 40 ARG HA 1 43 GLY H 4.500 . 4.500 3.974 3.879 4.062 . 0 0 "[ . 1 . 2]" 1
707 1 43 GLY H 1 44 TYR HB3 6.000 . 6.000 5.464 5.409 5.541 . 0 0 "[ . 1 . 2]" 1
708 1 43 GLY H 1 44 TYR HB2 5.500 . 5.500 4.030 3.936 4.110 . 0 0 "[ . 1 . 2]" 1
709 1 43 GLY H 1 44 TYR QD 4.500 . 4.500 3.525 3.227 3.675 . 0 0 "[ . 1 . 2]" 1
710 1 43 GLY H 1 44 TYR QE 5.500 . 5.500 5.217 4.909 5.454 . 0 0 "[ . 1 . 2]" 1
711 1 43 GLY H 1 44 TYR H 3.500 . 3.500 2.015 1.947 2.046 . 0 0 "[ . 1 . 2]" 1
712 1 43 GLY H 1 46 PHE QE 5.500 . 5.500 3.933 3.579 4.116 . 0 0 "[ . 1 . 2]" 1
713 1 44 TYR HA 1 44 TYR QD 4.500 . 4.500 2.820 2.670 3.019 . 0 0 "[ . 1 . 2]" 1
714 1 44 TYR HA 1 44 TYR QE 5.500 . 5.500 4.544 4.476 4.628 . 0 0 "[ . 1 . 2]" 1
715 1 44 TYR HA 1 45 GLU H 3.500 . 3.500 2.380 2.349 2.407 . 0 0 "[ . 1 . 2]" 1
716 1 44 TYR HB3 1 45 GLU HA 5.500 . 5.500 4.384 4.302 4.469 . 0 0 "[ . 1 . 2]" 1
717 1 44 TYR HB3 1 45 GLU H 4.500 . 4.500 2.267 2.206 2.328 . 0 0 "[ . 1 . 2]" 1
718 1 44 TYR HB3 1 84 PHE QE 4.500 . 4.500 4.255 3.021 4.531 0.031 4 0 "[ . 1 . 2]" 1
719 1 44 TYR HB2 1 45 GLU H 4.500 . 4.500 3.589 3.516 3.657 . 0 0 "[ . 1 . 2]" 1
720 1 44 TYR HB2 1 84 PHE QD 5.500 . 5.500 3.175 2.921 3.556 . 0 0 "[ . 1 . 2]" 1
721 1 44 TYR HB2 1 93 ALA HA 6.500 . 6.500 5.538 5.185 5.932 . 0 0 "[ . 1 . 2]" 1
722 1 44 TYR HB2 1 93 ALA MB 5.500 . 5.500 3.304 3.051 3.808 . 0 0 "[ . 1 . 2]" 1
723 1 44 TYR QD 1 45 GLU H 4.500 . 4.500 3.332 3.169 3.496 . 0 0 "[ . 1 . 2]" 1
724 1 44 TYR QD 1 93 ALA HA 4.500 . 4.500 3.400 3.108 4.162 . 0 0 "[ . 1 . 2]" 1
725 1 44 TYR QD 1 93 ALA MB 3.500 . 3.500 2.080 1.802 3.286 . 0 0 "[ . 1 . 2]" 1
726 1 44 TYR QD 1 93 ALA H 5.500 . 5.500 3.514 3.192 4.019 . 0 0 "[ . 1 . 2]" 1
727 1 44 TYR QE 1 45 GLU H 6.500 . 6.500 5.571 5.376 5.739 . 0 0 "[ . 1 . 2]" 1
728 1 44 TYR QE 1 93 ALA HA 4.500 . 4.500 3.085 2.536 4.419 . 0 0 "[ . 1 . 2]" 1
729 1 44 TYR QE 1 93 ALA MB 4.500 . 4.500 3.007 2.583 4.250 . 0 0 "[ . 1 . 2]" 1
730 1 44 TYR QE 1 93 ALA H 4.500 . 4.500 2.652 2.322 3.759 . 0 0 "[ . 1 . 2]" 1
731 1 42 LEU HB3 1 44 TYR H 5.500 . 5.500 3.644 3.514 3.700 . 0 0 "[ . 1 . 2]" 1
732 1 42 LEU H 1 44 TYR H 6.500 . 6.500 4.151 4.086 4.352 . 0 0 "[ . 1 . 2]" 1
733 1 44 TYR H 1 44 TYR HB2 3.500 . 3.500 2.890 2.853 2.932 . 0 0 "[ . 1 . 2]" 1
734 1 44 TYR H 1 44 TYR QD 3.500 . 3.500 3.446 3.249 3.549 0.049 10 0 "[ . 1 . 2]" 1
735 1 44 TYR H 1 44 TYR QE 5.500 . 5.500 5.364 5.217 5.466 . 0 0 "[ . 1 . 2]" 1
736 1 44 TYR H 1 45 GLU HA 5.500 . 5.500 4.849 4.826 4.877 . 0 0 "[ . 1 . 2]" 1
737 1 44 TYR H 1 45 GLU H 5.500 . 5.500 4.411 4.403 4.419 . 0 0 "[ . 1 . 2]" 1
738 1 44 TYR H 1 93 ALA MB 6.000 . 6.000 4.223 4.057 4.704 . 0 0 "[ . 1 . 2]" 1
739 1 45 GLU HB2 1 46 PHE HA 5.500 . 5.500 4.859 4.453 5.387 . 0 0 "[ . 1 . 2]" 1
740 1 45 GLU HB2 1 46 PHE H 5.500 . 5.500 4.289 3.912 4.625 . 0 0 "[ . 1 . 2]" 1
741 1 45 GLU H 1 45 GLU QB 3.500 . 3.500 2.732 2.368 3.131 . 0 0 "[ . 1 . 2]" 1
742 1 45 GLU H 1 46 PHE QD 5.500 . 5.500 3.916 3.775 4.045 . 0 0 "[ . 1 . 2]" 1
743 1 45 GLU H 1 84 PHE QD 5.500 . 5.500 5.048 4.931 5.199 . 0 0 "[ . 1 . 2]" 1
744 1 46 PHE HA 1 47 TYR H 3.500 . 3.500 2.161 2.148 2.178 . 0 0 "[ . 1 . 2]" 1
745 1 46 PHE HA 1 82 ILE MD 5.500 . 5.500 4.427 4.359 4.486 . 0 0 "[ . 1 . 2]" 1
746 1 46 PHE HA 1 84 PHE HB3 5.500 . 5.500 4.483 4.204 4.911 . 0 0 "[ . 1 . 2]" 1
747 1 46 PHE HA 1 84 PHE QD 5.500 . 5.500 4.654 4.405 4.789 . 0 0 "[ . 1 . 2]" 1
748 1 46 PHE HA 1 85 GLN H 5.500 . 5.500 3.344 3.066 3.516 . 0 0 "[ . 1 . 2]" 1
749 1 46 PHE HB3 1 47 TYR H 4.500 . 4.500 4.017 3.967 4.061 . 0 0 "[ . 1 . 2]" 1
750 1 46 PHE HB3 1 82 ILE MD 4.500 . 4.500 3.378 3.270 3.447 . 0 0 "[ . 1 . 2]" 1
751 1 46 PHE HB3 1 84 PHE HA 5.500 . 5.500 1.971 1.906 2.068 . 0 0 "[ . 1 . 2]" 1
752 1 46 PHE HB2 1 47 TYR H 3.500 . 3.500 3.220 3.166 3.259 . 0 0 "[ . 1 . 2]" 1
753 1 46 PHE HB2 1 82 ILE HA 5.500 . 5.500 5.297 5.068 5.411 . 0 0 "[ . 1 . 2]" 1
754 1 46 PHE HB2 1 82 ILE MD 4.500 . 4.500 2.254 2.154 2.373 . 0 0 "[ . 1 . 2]" 1
755 1 46 PHE HB2 1 83 ARG H 4.500 . 4.500 3.748 3.613 3.850 . 0 0 "[ . 1 . 2]" 1
756 1 46 PHE QD 1 48 CYS HA 5.500 . 5.500 4.191 4.107 4.226 . 0 0 "[ . 1 . 2]" 1
757 1 46 PHE QD 1 48 CYS QB 5.500 . 5.500 3.531 3.413 3.608 . 0 0 "[ . 1 . 2]" 1
758 1 46 PHE QD 1 82 ILE HA 5.500 . 5.500 3.943 3.646 4.117 . 0 0 "[ . 1 . 2]" 1
759 1 46 PHE QD 1 82 ILE MD 4.500 . 4.500 2.140 1.882 2.188 . 0 0 "[ . 1 . 2]" 1
760 1 46 PHE QE 1 48 CYS HA 5.500 . 5.500 5.205 5.110 5.261 . 0 0 "[ . 1 . 2]" 1
761 1 46 PHE QE 1 48 CYS QB 4.500 . 4.500 3.434 3.387 3.475 . 0 0 "[ . 1 . 2]" 1
762 1 46 PHE QE 1 48 CYS H 5.500 . 5.500 5.301 5.236 5.365 . 0 0 "[ . 1 . 2]" 1
763 1 46 PHE QE 1 82 ILE HA 5.500 . 5.500 4.593 4.209 4.870 . 0 0 "[ . 1 . 2]" 1
764 1 45 GLU HA 1 46 PHE H 3.500 . 3.500 2.217 2.192 2.243 . 0 0 "[ . 1 . 2]" 1
765 1 45 GLU H 1 46 PHE H 4.500 . 4.500 3.893 3.807 3.988 . 0 0 "[ . 1 . 2]" 1
766 1 46 PHE H 1 46 PHE QD 3.500 . 3.500 2.894 2.865 2.933 . 0 0 "[ . 1 . 2]" 1
767 1 46 PHE H 1 46 PHE QE 5.500 . 5.500 3.828 3.789 3.886 . 0 0 "[ . 1 . 2]" 1
768 1 46 PHE H 1 47 TYR HA 6.500 . 6.500 5.065 5.013 5.120 . 0 0 "[ . 1 . 2]" 1
769 1 46 PHE H 1 47 TYR H 5.500 . 5.500 4.393 4.379 4.412 . 0 0 "[ . 1 . 2]" 1
770 1 46 PHE H 1 84 PHE HA 5.500 . 5.500 4.802 4.744 4.884 . 0 0 "[ . 1 . 2]" 1
771 1 46 PHE HZ 1 48 CYS QB 5.500 . 5.500 5.587 5.551 5.624 0.124 18 0 "[ . 1 . 2]" 1
772 1 47 TYR HB2 1 83 ARG HB3 3.500 . 3.500 2.851 2.768 3.310 . 0 0 "[ . 1 . 2]" 1
773 1 47 TYR HB2 1 83 ARG HB2 4.500 . 4.500 4.429 4.210 4.558 0.058 15 0 "[ . 1 . 2]" 1
774 1 47 TYR QB 1 82 ILE HA 5.500 . 5.500 5.332 5.215 5.431 . 0 0 "[ . 1 . 2]" 1
775 1 47 TYR H 1 48 CYS HA 5.500 . 5.500 5.558 5.524 5.577 0.077 15 0 "[ . 1 . 2]" 1
776 1 47 TYR H 1 82 ILE MD 4.500 . 4.500 4.556 4.510 4.589 0.089 3 0 "[ . 1 . 2]" 1
777 1 47 TYR H 1 83 ARG HA 5.500 . 5.500 5.744 5.713 5.769 0.269 7 0 "[ . 1 . 2]" 1
778 1 47 TYR H 1 83 ARG QB 5.500 . 5.500 4.188 3.994 4.279 . 0 0 "[ . 1 . 2]" 1
779 1 47 TYR H 1 83 ARG H 4.500 . 4.500 4.442 4.348 4.511 0.011 12 0 "[ . 1 . 2]" 1
780 1 47 TYR H 1 84 PHE HA 4.500 . 4.500 3.534 3.396 3.714 . 0 0 "[ . 1 . 2]" 1
781 1 47 TYR H 1 84 PHE H 5.500 . 5.500 5.468 5.424 5.543 0.043 8 0 "[ . 1 . 2]" 1
782 1 48 CYS HA 1 49 ASP H 3.500 . 3.500 2.183 2.162 2.200 . 0 0 "[ . 1 . 2]" 1
783 1 48 CYS HA 1 81 MET HA 6.000 . 6.000 5.550 5.307 5.681 . 0 0 "[ . 1 . 2]" 1
784 1 48 CYS HA 1 82 ILE HA 3.500 . 3.500 1.852 1.803 1.997 . 0 0 "[ . 1 . 2]" 1
785 1 48 CYS HA 1 82 ILE HB 5.500 . 5.500 3.970 3.733 4.093 . 0 0 "[ . 1 . 2]" 1
786 1 48 CYS HA 1 82 ILE MD 4.500 . 4.500 4.039 3.796 4.107 . 0 0 "[ . 1 . 2]" 1
787 1 48 CYS HA 1 83 ARG QB 5.500 . 5.500 3.981 3.793 4.171 . 0 0 "[ . 1 . 2]" 1
788 1 48 CYS HA 1 83 ARG H 4.500 . 4.500 2.467 2.272 2.614 . 0 0 "[ . 1 . 2]" 1
789 1 36 VAL MG2 1 48 CYS HB3 3.500 . 3.500 3.164 3.071 3.393 . 0 0 "[ . 1 . 2]" 1
790 1 39 VAL MG2 1 48 CYS HB3 4.500 . 4.500 3.491 3.328 3.587 . 0 0 "[ . 1 . 2]" 1
791 1 36 VAL MG2 1 48 CYS HB2 3.500 . 3.500 1.833 1.768 2.088 0.032 9 0 "[ . 1 . 2]" 1
792 1 39 VAL MG2 1 48 CYS HB2 4.500 . 4.500 3.847 3.645 4.012 . 0 0 "[ . 1 . 2]" 1
793 1 48 CYS QB 1 49 ASP H 4.500 . 4.500 2.965 2.920 3.003 . 0 0 "[ . 1 . 2]" 1
794 1 48 CYS QB 1 82 ILE HA 5.500 . 5.500 1.954 1.833 2.143 . 0 0 "[ . 1 . 2]" 1
795 1 48 CYS H 1 49 ASP H 5.500 . 5.500 4.405 4.389 4.418 . 0 0 "[ . 1 . 2]" 1
796 1 48 CYS H 1 82 ILE HA 5.500 . 5.500 4.451 4.410 4.516 . 0 0 "[ . 1 . 2]" 1
797 1 49 ASP HA 1 50 TYR H 3.500 . 3.500 2.227 2.187 2.254 . 0 0 "[ . 1 . 2]" 1
798 1 49 ASP HA 1 81 MET HB3 5.500 . 5.500 5.115 4.668 5.483 . 0 0 "[ . 1 . 2]" 1
799 1 49 ASP QB 1 81 MET HA 5.500 . 5.500 5.602 5.548 5.665 0.165 4 0 "[ . 1 . 2]" 1
800 1 49 ASP QB 1 81 MET HB3 4.500 . 4.500 3.141 2.967 3.346 . 0 0 "[ . 1 . 2]" 1
801 1 49 ASP QB 1 81 MET HB2 4.500 . 4.500 4.111 3.827 4.377 . 0 0 "[ . 1 . 2]" 1
802 1 49 ASP QB 1 81 MET H 4.500 . 4.500 4.132 3.997 4.247 . 0 0 "[ . 1 . 2]" 1
803 1 49 ASP QB 1 131 TYR QE 5.500 . 5.500 3.966 2.991 4.460 . 0 0 "[ . 1 . 2]" 1
804 1 49 ASP QB 1 132 ILE MD 5.500 . 5.500 4.543 3.991 5.053 . 0 0 "[ . 1 . 2]" 1
805 1 49 ASP H 1 50 TYR H 4.500 . 4.500 4.334 4.277 4.360 . 0 0 "[ . 1 . 2]" 1
806 1 49 ASP H 1 80 ALA MB 5.500 . 5.500 4.483 4.227 4.681 . 0 0 "[ . 1 . 2]" 1
807 1 49 ASP H 1 81 MET HA 5.500 . 5.500 4.589 4.374 4.720 . 0 0 "[ . 1 . 2]" 1
808 1 49 ASP H 1 81 MET HB3 4.500 . 4.500 3.015 2.506 3.382 . 0 0 "[ . 1 . 2]" 1
809 1 49 ASP H 1 81 MET HB2 5.500 . 5.500 4.351 3.960 4.655 . 0 0 "[ . 1 . 2]" 1
810 1 49 ASP H 1 81 MET H 5.500 . 5.500 3.492 3.316 3.723 . 0 0 "[ . 1 . 2]" 1
811 1 49 ASP H 1 82 ILE HA 4.500 . 4.500 3.023 2.829 3.351 . 0 0 "[ . 1 . 2]" 1
812 1 49 ASP H 1 82 ILE MD 5.500 . 5.500 5.564 5.452 5.632 0.132 14 0 "[ . 1 . 2]" 1
813 1 48 CYS HB3 1 50 TYR HA 6.500 . 6.500 6.541 6.496 6.571 0.071 16 0 "[ . 1 . 2]" 1
814 1 48 CYS HB2 1 50 TYR HA 6.500 . 6.500 6.141 6.016 6.281 . 0 0 "[ . 1 . 2]" 1
815 1 50 TYR HA 1 50 TYR QD 4.500 . 4.500 3.521 2.990 3.676 . 0 0 "[ . 1 . 2]" 1
816 1 50 TYR HA 1 51 ILE MD 5.500 . 5.500 4.482 2.501 5.276 . 0 0 "[ . 1 . 2]" 1
817 1 50 TYR HA 1 51 ILE QG 4.500 . 4.500 3.367 3.059 3.960 . 0 0 "[ . 1 . 2]" 1
818 1 50 TYR HA 1 51 ILE H 4.500 . 4.500 2.204 2.175 2.249 . 0 0 "[ . 1 . 2]" 1
819 1 50 TYR HA 1 80 ALA MB 4.500 . 4.500 2.599 2.341 2.877 . 0 0 "[ . 1 . 2]" 1
820 1 50 TYR HA 1 81 MET HA 5.500 . 5.500 5.007 4.713 5.264 . 0 0 "[ . 1 . 2]" 1
821 1 50 TYR HA 1 81 MET HB3 5.500 . 5.500 4.604 4.161 4.996 . 0 0 "[ . 1 . 2]" 1
822 1 50 TYR HA 1 81 MET HB2 5.500 . 5.500 3.977 3.616 4.396 . 0 0 "[ . 1 . 2]" 1
823 1 50 TYR HA 1 81 MET H 4.500 . 4.500 2.157 1.836 2.414 . 0 0 "[ . 1 . 2]" 1
824 1 50 TYR HB3 1 51 ILE H 4.500 . 4.500 4.396 4.339 4.442 . 0 0 "[ . 1 . 2]" 1
825 1 50 TYR HB2 1 51 ILE H 4.500 . 4.500 3.390 3.233 3.775 . 0 0 "[ . 1 . 2]" 1
826 1 50 TYR HB2 1 80 ALA HA 5.500 . 5.500 2.502 2.263 2.831 . 0 0 "[ . 1 . 2]" 1
827 1 50 TYR HB2 1 80 ALA MB 4.500 . 4.500 2.175 1.788 2.450 0.012 19 0 "[ . 1 . 2]" 1
828 1 50 TYR QB 1 80 ALA MB 4.500 . 4.500 2.084 1.776 2.346 0.024 19 0 "[ . 1 . 2]" 1
829 1 50 TYR QB 1 81 MET H 5.500 . 5.500 3.689 3.453 3.952 . 0 0 "[ . 1 . 2]" 1
830 1 50 TYR QD 1 51 ILE H 4.500 . 4.500 3.436 2.485 4.084 . 0 0 "[ . 1 . 2]" 1
831 1 50 TYR QD 1 52 ASP H 6.500 . 6.500 4.833 4.180 5.438 . 0 0 "[ . 1 . 2]" 1
832 1 50 TYR QD 1 79 GLN H 4.500 . 4.500 3.685 3.223 4.382 . 0 0 "[ . 1 . 2]" 1
833 1 50 TYR QD 1 80 ALA HA 4.500 . 4.500 3.825 2.931 4.191 . 0 0 "[ . 1 . 2]" 1
834 1 50 TYR QD 1 80 ALA MB 4.500 . 4.500 3.691 2.960 3.873 . 0 0 "[ . 1 . 2]" 1
835 1 50 TYR QD 1 80 ALA H 5.500 . 5.500 5.288 4.232 5.535 0.035 17 0 "[ . 1 . 2]" 1
836 1 50 TYR QD 1 81 MET H 5.500 . 5.500 5.242 4.874 5.499 . 0 0 "[ . 1 . 2]" 1
837 1 32 LYS HG3 1 50 TYR H 6.500 . 6.500 3.409 2.177 3.736 . 0 0 "[ . 1 . 2]" 1
838 1 32 LYS HG2 1 50 TYR H 6.500 . 6.500 4.361 2.391 5.029 . 0 0 "[ . 1 . 2]" 1
839 1 49 ASP HB2 1 50 TYR H 4.500 . 4.500 4.251 3.981 4.375 . 0 0 "[ . 1 . 2]" 1
840 1 50 TYR H 1 50 TYR QB 3.500 . 3.500 2.373 2.266 2.470 . 0 0 "[ . 1 . 2]" 1
841 1 50 TYR H 1 50 TYR QD 4.500 . 4.500 2.711 2.106 3.714 . 0 0 "[ . 1 . 2]" 1
842 1 50 TYR H 1 51 ILE H 5.500 . 5.500 4.516 4.467 4.556 . 0 0 "[ . 1 . 2]" 1
843 1 50 TYR H 1 80 ALA MB 5.500 . 5.500 3.988 3.752 4.243 . 0 0 "[ . 1 . 2]" 1
844 1 51 ILE HA 1 51 ILE MD 4.500 . 4.500 3.760 2.115 4.170 . 0 0 "[ . 1 . 2]" 1
845 1 51 ILE HA 1 51 ILE HG13 4.500 . 4.500 3.458 2.658 3.707 . 0 0 "[ . 1 . 2]" 1
846 1 51 ILE HA 1 51 ILE HG12 4.500 . 4.500 3.526 2.374 4.151 . 0 0 "[ . 1 . 2]" 1
847 1 51 ILE HA 1 51 ILE QG 3.500 . 3.500 3.042 2.323 3.315 . 0 0 "[ . 1 . 2]" 1
848 1 51 ILE HA 1 51 ILE MG 3.500 . 3.500 2.149 1.894 2.516 . 0 0 "[ . 1 . 2]" 1
849 1 51 ILE HA 1 52 ASP HA 5.500 . 5.500 4.357 4.324 4.389 . 0 0 "[ . 1 . 2]" 1
850 1 51 ILE HA 1 52 ASP H 3.500 . 3.500 2.177 2.136 2.201 . 0 0 "[ . 1 . 2]" 1
851 1 51 ILE HB 1 52 ASP H 5.500 . 5.500 3.428 3.019 4.195 . 0 0 "[ . 1 . 2]" 1
852 1 50 TYR H 1 51 ILE HG12 6.500 . 6.500 4.831 3.908 5.906 . 0 0 "[ . 1 . 2]" 1
853 1 51 ILE QG 1 52 ASP H 5.500 . 5.500 4.463 4.071 4.734 . 0 0 "[ . 1 . 2]" 1
854 1 51 ILE MD 1 51 ILE MG 3.500 . 3.500 2.454 1.823 3.251 . 0 0 "[ . 1 . 2]" 1
855 1 51 ILE HG13 1 51 ILE MG 3.500 . 3.500 2.923 2.297 3.200 . 0 0 "[ . 1 . 2]" 1
856 1 51 ILE HG12 1 51 ILE MG 3.500 . 3.500 2.318 1.986 3.197 . 0 0 "[ . 1 . 2]" 1
857 1 51 ILE MG 1 52 ASP H 4.500 . 4.500 3.040 2.091 3.775 . 0 0 "[ . 1 . 2]" 1
858 1 51 ILE H 1 51 ILE QG 3.500 . 3.500 2.514 2.030 3.442 . 0 0 "[ . 1 . 2]" 1
859 1 51 ILE H 1 51 ILE MG 4.500 . 4.500 3.722 3.165 4.015 . 0 0 "[ . 1 . 2]" 1
860 1 51 ILE H 1 52 ASP HA 5.500 . 5.500 4.650 4.585 4.703 . 0 0 "[ . 1 . 2]" 1
861 1 51 ILE H 1 52 ASP QB 5.500 . 5.500 5.454 5.254 5.589 0.089 7 0 "[ . 1 . 2]" 1
862 1 51 ILE H 1 78 GLY H 6.000 . 6.000 5.512 5.076 5.949 . 0 0 "[ . 1 . 2]" 1
863 1 51 ILE H 1 79 GLN H 4.500 . 4.500 4.323 4.167 4.434 . 0 0 "[ . 1 . 2]" 1
864 1 51 ILE H 1 80 ALA HA 4.500 . 4.500 2.588 2.424 2.816 . 0 0 "[ . 1 . 2]" 1
865 1 52 ASP HA 1 53 GLU H 3.500 . 3.500 2.333 2.184 2.562 . 0 0 "[ . 1 . 2]" 1
866 1 52 ASP HA 1 79 GLN HG3 6.500 . 6.500 3.401 2.646 4.631 . 0 0 "[ . 1 . 2]" 1
867 1 52 ASP HA 1 79 GLN HG2 6.500 . 6.500 3.964 3.088 4.760 . 0 0 "[ . 1 . 2]" 1
868 1 51 ILE MG 1 52 ASP HB3 5.500 . 5.500 5.231 4.381 5.547 0.047 18 0 "[ . 1 . 2]" 1
869 1 52 ASP QB 1 53 GLU H 4.500 . 4.500 2.841 2.216 3.595 . 0 0 "[ . 1 . 2]" 1
870 1 52 ASP QB 1 78 GLY HA2 5.500 . 5.500 4.814 3.566 5.528 0.028 4 0 "[ . 1 . 2]" 1
871 1 52 ASP QB 1 79 GLN H 4.500 . 4.500 4.221 3.350 4.563 0.063 16 0 "[ . 1 . 2]" 1
872 1 51 ILE HG12 1 52 ASP H 5.500 . 5.500 5.224 4.258 5.532 0.032 15 0 "[ . 1 . 2]" 1
873 1 52 ASP H 1 52 ASP HB3 3.500 . 3.500 2.629 2.211 3.037 . 0 0 "[ . 1 . 2]" 1
874 1 52 ASP H 1 53 GLU HA 5.500 . 5.500 5.446 5.232 5.651 0.151 16 0 "[ . 1 . 2]" 1
875 1 52 ASP H 1 53 GLU H 4.500 . 4.500 4.562 4.533 4.595 0.095 17 0 "[ . 1 . 2]" 1
876 1 53 GLU HA 1 54 ASN HA 5.500 . 5.500 4.354 4.273 4.618 . 0 0 "[ . 1 . 2]" 1
877 1 53 GLU HA 1 54 ASN QB 5.500 . 5.500 4.341 4.004 5.344 . 0 0 "[ . 1 . 2]" 1
878 1 53 GLU HA 1 54 ASN HD21 4.500 . 4.500 4.079 3.412 4.563 0.063 7 0 "[ . 1 . 2]" 1
879 1 53 GLU HA 1 54 ASN H 3.500 . 3.500 2.284 2.109 3.469 . 0 0 "[ . 1 . 2]" 1
880 1 53 GLU QB 1 54 ASN HA 4.500 . 4.500 4.450 3.724 4.604 0.104 2 0 "[ . 1 . 2]" 1
881 1 53 GLU QB 1 54 ASN HD21 5.500 . 5.500 4.791 2.014 5.505 0.005 10 0 "[ . 1 . 2]" 1
882 1 53 GLU QB 1 54 ASN H 4.500 . 4.500 2.970 1.843 3.540 . 0 0 "[ . 1 . 2]" 1
883 1 53 GLU H 1 54 ASN HA 5.500 . 5.500 5.507 5.341 5.626 0.126 16 0 "[ . 1 . 2]" 1
884 1 53 GLU HB3 1 54 ASN HA 5.500 . 5.500 5.149 3.843 5.479 . 0 0 "[ . 1 . 2]" 1
885 1 53 GLU HB2 1 54 ASN HA 5.500 . 5.500 4.944 4.638 5.463 . 0 0 "[ . 1 . 2]" 1
886 1 54 ASN HA 1 54 ASN HD21 4.500 . 4.500 2.654 1.876 4.090 . 0 0 "[ . 1 . 2]" 1
887 1 54 ASN HA 1 55 SER HA 5.500 . 5.500 4.661 4.337 4.859 . 0 0 "[ . 1 . 2]" 1
888 1 54 ASN HA 1 55 SER HB3 6.500 . 6.500 5.690 4.483 6.566 0.066 8 0 "[ . 1 . 2]" 1
889 1 54 ASN HA 1 55 SER HB2 6.500 . 6.500 5.622 4.632 6.460 . 0 0 "[ . 1 . 2]" 1
890 1 53 GLU HB3 1 54 ASN HB3 6.500 . 6.500 6.109 4.913 6.574 0.074 5 0 "[ . 1 . 2]" 1
891 1 53 GLU HB2 1 54 ASN HB3 6.500 . 6.500 6.410 5.581 6.627 0.127 5 0 "[ . 1 . 2]" 1
892 1 54 ASN HB3 1 55 SER HB3 6.500 . 6.500 5.204 3.597 6.274 . 0 0 "[ . 1 . 2]" 1
893 1 54 ASN HB3 1 55 SER HB2 6.500 . 6.500 4.996 3.578 6.546 0.046 17 0 "[ . 1 . 2]" 1
894 1 53 GLU HB3 1 54 ASN HB2 6.500 . 6.500 5.093 3.778 5.837 . 0 0 "[ . 1 . 2]" 1
895 1 53 GLU HB2 1 54 ASN HB2 6.500 . 6.500 5.638 4.299 6.056 . 0 0 "[ . 1 . 2]" 1
896 1 54 ASN HB2 1 55 SER HB3 6.500 . 6.500 5.410 3.905 6.607 0.107 12 0 "[ . 1 . 2]" 1
897 1 54 ASN HB2 1 55 SER HB2 6.500 . 6.500 5.289 4.222 6.597 0.097 12 0 "[ . 1 . 2]" 1
898 1 54 ASN HD21 1 55 SER H 5.500 . 5.500 4.637 3.946 5.519 0.019 20 0 "[ . 1 . 2]" 1
899 1 54 ASN H 1 54 ASN QB 3.500 . 3.500 2.257 2.028 2.814 . 0 0 "[ . 1 . 2]" 1
900 1 54 ASN H 1 54 ASN HD21 4.500 . 4.500 2.633 1.883 3.477 . 0 0 "[ . 1 . 2]" 1
901 1 54 ASN H 1 55 SER HA 6.500 . 6.500 5.349 4.981 5.780 . 0 0 "[ . 1 . 2]" 1
902 1 54 ASN H 1 55 SER HB3 6.500 . 6.500 5.575 4.363 6.564 0.064 11 0 "[ . 1 . 2]" 1
903 1 54 ASN H 1 55 SER HB2 6.500 . 6.500 5.597 4.334 6.487 . 0 0 "[ . 1 . 2]" 1
904 1 54 ASN H 1 55 SER QB 5.500 . 5.500 4.899 4.157 5.703 0.203 15 0 "[ . 1 . 2]" 1
905 1 54 ASN H 1 55 SER H 4.500 . 4.500 3.207 2.468 4.280 . 0 0 "[ . 1 . 2]" 1
906 1 54 ASN HA 1 55 SER H 3.500 . 3.500 3.213 2.150 3.544 0.044 13 0 "[ . 1 . 2]" 1
907 1 55 SER H 1 55 SER QB 3.500 . 3.500 2.252 2.058 2.904 . 0 0 "[ . 1 . 2]" 1
908 1 56 ASN HA 1 57 GLN HA 5.500 . 5.500 4.426 4.313 4.587 . 0 0 "[ . 1 . 2]" 1
909 1 56 ASN QB 1 57 GLN H 4.500 . 4.500 3.340 2.065 3.952 . 0 0 "[ . 1 . 2]" 1
910 1 56 ASN H 1 56 ASN HB3 3.500 . 3.500 3.117 2.163 3.572 0.072 5 0 "[ . 1 . 2]" 1
911 1 56 ASN H 1 56 ASN HB2 3.500 . 3.500 2.888 2.079 3.601 0.101 17 0 "[ . 1 . 2]" 1
912 1 56 ASN H 1 56 ASN QB 3.500 . 3.500 2.519 2.055 2.910 . 0 0 "[ . 1 . 2]" 1
913 1 56 ASN H 1 57 GLN HA 5.500 . 5.500 5.375 5.073 5.552 0.052 14 0 "[ . 1 . 2]" 1
914 1 56 ASN H 1 74 LEU MD1 5.500 . 5.500 4.838 3.241 5.511 0.011 6 0 "[ . 1 . 2]" 1
915 1 57 GLN HA 1 58 ILE H 3.500 . 3.500 2.659 2.137 3.502 0.002 15 0 "[ . 1 . 2]" 1
916 1 57 GLN QB 1 58 ILE H 4.500 . 4.500 2.840 1.783 3.996 0.017 1 0 "[ . 1 . 2]" 1
917 1 59 ASN H 1 69 PRO HB2 5.500 . 5.500 4.894 2.651 5.547 0.047 3 0 "[ . 1 . 2]" 1
918 1 59 ASN HA 1 60 SER HA 6.500 . 6.500 4.393 4.344 4.462 . 0 0 "[ . 1 . 2]" 1
919 1 60 SER HA 1 61 ASN HA 5.500 . 5.500 4.442 4.302 4.817 . 0 0 "[ . 1 . 2]" 1
920 1 59 ASN HA 1 60 SER H 3.500 . 3.500 2.320 2.105 2.677 . 0 0 "[ . 1 . 2]" 1
921 1 61 ASN HA 1 62 LEU HA 5.500 . 5.500 4.464 4.301 4.735 . 0 0 "[ . 1 . 2]" 1
922 1 61 ASN HA 1 62 LEU QD 4.500 . 4.500 4.082 3.133 4.542 0.042 11 0 "[ . 1 . 2]" 1
923 1 61 ASN HB3 1 62 LEU HG 5.500 . 5.500 4.081 3.447 5.470 . 0 0 "[ . 1 . 2]" 1
924 1 61 ASN HB2 1 62 LEU HG 5.500 . 5.500 4.267 3.050 5.543 0.043 17 0 "[ . 1 . 2]" 1
925 1 61 ASN QB 1 62 LEU HA 4.500 . 4.500 4.057 3.678 4.237 . 0 0 "[ . 1 . 2]" 1
926 1 61 ASN QB 1 62 LEU QD 4.500 . 4.500 2.609 2.020 3.218 . 0 0 "[ . 1 . 2]" 1
927 1 61 ASN QB 1 62 LEU HG 5.500 . 5.500 3.643 2.918 4.905 . 0 0 "[ . 1 . 2]" 1
928 1 61 ASN QB 1 62 LEU H 4.500 . 4.500 1.956 1.788 2.698 0.012 3 0 "[ . 1 . 2]" 1
929 1 60 SER H 1 61 ASN H 6.500 . 6.500 4.202 3.277 4.593 . 0 0 "[ . 1 . 2]" 1
930 1 62 LEU HA 1 63 ILE H 3.500 . 3.500 2.253 2.105 2.366 . 0 0 "[ . 1 . 2]" 1
931 1 61 ASN HB3 1 62 LEU HB3 5.500 . 5.500 4.280 3.511 4.949 . 0 0 "[ . 1 . 2]" 1
932 1 61 ASN HB2 1 62 LEU HB3 5.500 . 5.500 5.078 4.335 5.580 0.080 2 0 "[ . 1 . 2]" 1
933 1 62 LEU HB3 1 62 LEU MD2 3.500 . 3.500 2.076 1.931 2.186 . 0 0 "[ . 1 . 2]" 1
934 1 61 ASN HB3 1 62 LEU HB2 5.500 . 5.500 5.385 4.923 5.601 0.101 4 0 "[ . 1 . 2]" 1
935 1 62 LEU HB2 1 62 LEU MD2 3.500 . 3.500 3.068 2.948 3.176 . 0 0 "[ . 1 . 2]" 1
936 1 62 LEU QB 1 63 ILE H 4.500 . 4.500 3.632 3.172 3.849 . 0 0 "[ . 1 . 2]" 1
937 1 61 ASN H 1 62 LEU H 6.500 . 6.500 4.119 2.868 4.671 . 0 0 "[ . 1 . 2]" 1
938 1 62 LEU H 1 62 LEU QB 3.500 . 3.500 2.694 2.264 3.078 . 0 0 "[ . 1 . 2]" 1
939 1 62 LEU H 1 62 LEU QD 3.500 . 3.500 2.044 1.803 2.623 . 0 0 "[ . 1 . 2]" 1
940 1 62 LEU H 1 62 LEU HG 4.500 . 4.500 2.460 2.076 3.584 . 0 0 "[ . 1 . 2]" 1
941 1 62 LEU HB2 1 63 ILE HA 4.500 . 4.500 4.517 4.423 4.598 0.098 14 0 "[ . 1 . 2]" 1
942 1 63 ILE HA 1 63 ILE QG 3.500 . 3.500 2.221 2.040 2.401 . 0 0 "[ . 1 . 2]" 1
943 1 63 ILE HA 1 63 ILE MG 3.500 . 3.500 3.190 3.155 3.204 . 0 0 "[ . 1 . 2]" 1
944 1 63 ILE HA 1 64 GLN H 3.500 . 3.500 2.266 2.051 2.389 . 0 0 "[ . 1 . 2]" 1
945 1 62 LEU HG 1 63 ILE HB 4.500 . 4.500 4.552 4.381 4.758 0.258 12 0 "[ . 1 . 2]" 1
946 1 63 ILE HB 1 63 ILE MD 3.500 . 3.500 3.138 2.900 3.189 . 0 0 "[ . 1 . 2]" 1
947 1 63 ILE H 1 63 ILE HG13 5.500 . 5.500 5.123 5.026 5.166 . 0 0 "[ . 1 . 2]" 1
948 1 63 ILE QG 1 64 GLN H 5.500 . 5.500 2.280 1.940 2.846 . 0 0 "[ . 1 . 2]" 1
949 1 63 ILE HG13 1 63 ILE MG 3.500 . 3.500 2.713 2.593 3.070 . 0 0 "[ . 1 . 2]" 1
950 1 63 ILE HG12 1 63 ILE MG 3.500 . 3.500 3.112 2.827 3.174 . 0 0 "[ . 1 . 2]" 1
951 1 63 ILE MG 1 64 GLN HB3 5.500 . 5.500 5.364 4.949 5.565 0.065 14 0 "[ . 1 . 2]" 1
952 1 63 ILE MG 1 64 GLN HB2 5.500 . 5.500 4.805 4.561 5.045 . 0 0 "[ . 1 . 2]" 1
953 1 63 ILE MG 1 64 GLN H 4.500 . 4.500 3.596 2.971 4.058 . 0 0 "[ . 1 . 2]" 1
954 1 63 ILE H 1 63 ILE HB 3.500 . 3.500 3.292 3.092 3.466 . 0 0 "[ . 1 . 2]" 1
955 1 63 ILE H 1 63 ILE MD 4.500 . 4.500 4.280 3.970 4.522 0.022 2 0 "[ . 1 . 2]" 1
956 1 63 ILE H 1 63 ILE HG12 4.500 . 4.500 4.551 4.423 4.596 0.096 9 0 "[ . 1 . 2]" 1
957 1 63 ILE H 1 63 ILE QG 4.500 . 4.500 4.258 4.150 4.297 . 0 0 "[ . 1 . 2]" 1
958 1 63 ILE H 1 64 GLN H 4.500 . 4.500 4.262 4.029 4.344 . 0 0 "[ . 1 . 2]" 1
959 1 63 ILE H 1 64 GLN HB3 5.500 . 5.500 5.508 4.943 5.612 0.112 9 0 "[ . 1 . 2]" 1
960 1 63 ILE H 1 64 GLN HB2 4.500 . 4.500 4.560 4.412 4.660 0.160 16 0 "[ . 1 . 2]" 1
961 1 63 ILE HG12 1 64 GLN H 6.500 . 6.500 2.299 1.947 2.912 . 0 0 "[ . 1 . 2]" 1
962 1 64 GLN H 1 64 GLN QB 3.500 . 3.500 2.665 2.557 2.734 . 0 0 "[ . 1 . 2]" 1
963 1 64 GLN H 1 65 GLN HA 5.500 . 5.500 4.700 4.300 5.206 . 0 0 "[ . 1 . 2]" 1
964 1 65 GLN HA 1 66 ASP H 3.500 . 3.500 2.935 2.231 3.570 0.070 11 0 "[ . 1 . 2]" 1
965 1 65 GLN QB 1 66 ASP H 4.500 . 4.500 2.296 1.787 3.070 0.013 1 0 "[ . 1 . 2]" 1
966 1 65 GLN H 1 65 GLN QB 3.500 . 3.500 2.356 2.053 2.683 . 0 0 "[ . 1 . 2]" 1
967 1 65 GLN HB2 1 66 ASP HA 5.500 . 5.500 5.130 4.197 5.702 0.202 15 0 "[ . 1 . 2]" 1
968 1 67 GLN HA 1 68 HIS H 3.500 . 3.500 2.876 2.686 3.165 . 0 0 "[ . 1 . 2]" 1
969 1 65 GLN HB2 1 67 GLN H 5.500 . 5.500 4.277 2.866 5.452 . 0 0 "[ . 1 . 2]" 1
970 1 66 ASP HA 1 67 GLN H 3.500 . 3.500 3.539 3.442 3.601 0.101 2 0 "[ . 1 . 2]" 1
971 1 67 GLN H 1 67 GLN QB 3.500 . 3.500 2.453 2.192 3.133 . 0 0 "[ . 1 . 2]" 1
972 1 67 GLN H 1 68 HIS H 5.500 . 5.500 2.791 2.420 3.170 . 0 0 "[ . 1 . 2]" 1
973 1 69 PRO HA 1 70 GLN HE21 6.500 . 6.500 4.469 4.047 4.891 . 0 0 "[ . 1 . 2]" 1
974 1 69 PRO HA 1 70 GLN HG2 5.500 . 5.500 5.549 4.941 5.743 0.243 1 0 "[ . 1 . 2]" 1
975 1 69 PRO HA 1 70 GLN H 3.500 . 3.500 2.201 2.136 2.320 . 0 0 "[ . 1 . 2]" 1
976 1 69 PRO HB2 1 70 GLN HE22 6.500 . 6.500 4.309 3.711 4.902 . 0 0 "[ . 1 . 2]" 1
977 1 69 PRO QB 1 70 GLN HE21 4.500 . 4.500 3.871 3.456 4.379 . 0 0 "[ . 1 . 2]" 1
978 1 69 PRO QB 1 70 GLN HE22 4.500 . 4.500 3.647 3.243 4.487 . 0 0 "[ . 1 . 2]" 1
979 1 69 PRO QB 1 70 GLN H 3.500 . 3.500 2.960 2.686 3.107 . 0 0 "[ . 1 . 2]" 1
980 1 70 GLN HA 1 70 GLN HE21 4.500 . 4.500 4.053 3.618 4.484 . 0 0 "[ . 1 . 2]" 1
981 1 70 GLN HA 1 70 GLN HG2 4.500 . 4.500 3.634 3.564 3.736 . 0 0 "[ . 1 . 2]" 1
982 1 70 GLN HA 1 71 LEU MD2 5.500 . 5.500 5.189 4.960 5.510 0.010 3 0 "[ . 1 . 2]" 1
983 1 69 PRO HA 1 70 GLN HB2 6.500 . 6.500 5.548 5.164 5.704 . 0 0 "[ . 1 . 2]" 1
984 1 70 GLN QB 1 71 LEU QD 5.500 . 5.500 2.461 2.176 2.759 . 0 0 "[ . 1 . 2]" 1
985 1 70 GLN HE21 1 71 LEU HA 5.500 . 5.500 4.448 4.070 5.032 . 0 0 "[ . 1 . 2]" 1
986 1 70 GLN HE21 1 71 LEU QB 5.500 . 5.500 5.255 4.950 5.543 0.043 20 0 "[ . 1 . 2]" 1
987 1 70 GLN HE21 1 71 LEU MD1 5.500 . 5.500 4.585 4.077 5.154 . 0 0 "[ . 1 . 2]" 1
988 1 70 GLN HE21 1 71 LEU MD2 6.500 . 6.500 6.555 6.404 6.597 0.097 10 0 "[ . 1 . 2]" 1
989 1 70 GLN HE21 1 71 LEU H 4.500 . 4.500 4.110 3.751 4.493 . 0 0 "[ . 1 . 2]" 1
990 1 59 ASN HA 1 70 GLN H 5.500 . 5.500 5.560 5.238 5.666 0.166 11 0 "[ . 1 . 2]" 1
991 1 70 GLN H 1 70 GLN HB3 3.500 . 3.500 2.648 2.354 3.589 0.089 14 0 "[ . 1 . 2]" 1
992 1 70 GLN H 1 70 GLN QB 3.500 . 3.500 2.534 2.322 2.870 . 0 0 "[ . 1 . 2]" 1
993 1 70 GLN H 1 70 GLN HE21 6.500 . 6.500 2.621 2.027 3.040 . 0 0 "[ . 1 . 2]" 1
994 1 70 GLN H 1 70 GLN QG 4.500 . 4.500 3.086 2.079 3.238 . 0 0 "[ . 1 . 2]" 1
995 1 70 GLN H 1 71 LEU QD 5.500 . 5.500 5.116 4.801 5.344 . 0 0 "[ . 1 . 2]" 1
996 1 71 LEU HA 1 71 LEU MD1 4.500 . 4.500 3.614 3.335 3.765 . 0 0 "[ . 1 . 2]" 1
997 1 71 LEU HA 1 71 LEU MD2 4.500 . 4.500 3.816 3.493 4.102 . 0 0 "[ . 1 . 2]" 1
998 1 71 LEU HA 1 71 LEU QD 3.500 . 3.500 3.276 3.191 3.382 . 0 0 "[ . 1 . 2]" 1
999 1 71 LEU HA 1 71 LEU HG 3.500 . 3.500 3.202 2.776 3.583 0.083 10 0 "[ . 1 . 2]" 1
1000 1 71 LEU HA 1 72 ASN QB 5.500 . 5.500 5.183 4.428 5.468 . 0 0 "[ . 1 . 2]" 1
1001 1 71 LEU QB 1 72 ASN H 4.500 . 4.500 2.867 2.138 3.934 . 0 0 "[ . 1 . 2]" 1
1002 1 70 GLN H 1 71 LEU MD1 5.500 . 5.500 5.246 4.876 5.526 0.026 2 0 "[ . 1 . 2]" 1
1003 1 71 LEU QD 1 72 ASN H 4.500 . 4.500 2.302 1.758 4.432 0.042 1 0 "[ . 1 . 2]" 1
1004 1 70 GLN HA 1 71 LEU HG 5.500 . 5.500 3.791 3.541 4.152 . 0 0 "[ . 1 . 2]" 1
1005 1 70 GLN HB3 1 71 LEU HG 5.500 . 5.500 5.151 3.385 5.523 0.023 16 0 "[ . 1 . 2]" 1
1006 1 70 GLN HG2 1 71 LEU HG 5.500 . 5.500 4.739 4.286 5.617 0.117 14 0 "[ . 1 . 2]" 1
1007 1 71 LEU H 1 71 LEU HG 4.500 . 4.500 1.893 1.780 2.131 0.020 14 0 "[ . 1 . 2]" 1
1008 1 70 GLN H 1 71 LEU H 6.500 . 6.500 4.477 4.362 4.571 . 0 0 "[ . 1 . 2]" 1
1009 1 71 LEU H 1 71 LEU QD 4.500 . 4.500 1.928 1.820 2.115 . 0 0 "[ . 1 . 2]" 1
1010 1 71 LEU HB3 1 72 ASN H 4.500 . 4.500 4.057 3.641 4.586 0.086 19 0 "[ . 1 . 2]" 1
1011 1 71 LEU H 1 72 ASN H 3.500 . 3.500 2.871 2.558 3.614 0.114 19 0 "[ . 1 . 2]" 1
1012 1 72 ASN H 1 72 ASN QB 3.500 . 3.500 2.153 2.041 2.367 . 0 0 "[ . 1 . 2]" 1
1013 1 72 ASN H 1 73 ASP HB2 5.500 . 5.500 5.383 4.697 5.606 0.106 6 0 "[ . 1 . 2]" 1
1014 1 72 ASN H 1 73 ASP QB 5.500 . 5.500 5.081 4.562 5.363 . 0 0 "[ . 1 . 2]" 1
1015 1 72 ASN H 1 73 ASP H 3.500 . 3.500 3.443 2.944 3.672 0.172 11 0 "[ . 1 . 2]" 1
1016 1 72 ASN HB3 1 73 ASP HA 5.500 . 5.500 4.686 4.424 5.064 . 0 0 "[ . 1 . 2]" 1
1017 1 58 ILE H 1 73 ASP HB3 5.500 . 5.500 4.866 2.446 5.652 0.152 6 0 "[ . 1 . 2]" 1
1018 1 73 ASP HB2 1 74 LEU HB3 6.500 . 6.500 6.230 4.629 6.626 0.126 6 0 "[ . 1 . 2]" 1
1019 1 73 ASP HB2 1 74 LEU HG 6.500 . 6.500 5.402 3.564 6.559 0.059 11 0 "[ . 1 . 2]" 1
1020 1 73 ASP H 1 73 ASP QB 3.500 . 3.500 2.186 2.024 2.363 . 0 0 "[ . 1 . 2]" 1
1021 1 74 LEU HA 1 74 LEU HG 4.500 . 4.500 2.758 2.087 3.699 . 0 0 "[ . 1 . 2]" 1
1022 1 74 LEU HB3 1 74 LEU MD1 3.500 . 3.500 2.830 2.351 3.187 . 0 0 "[ . 1 . 2]" 1
1023 1 73 ASP HB3 1 74 LEU HB2 5.500 . 5.500 4.574 3.289 5.569 0.069 6 0 "[ . 1 . 2]" 1
1024 1 74 LEU HB2 1 74 LEU MD1 3.500 . 3.500 2.204 1.897 3.108 . 0 0 "[ . 1 . 2]" 1
1025 1 74 LEU QB 1 75 LEU H 4.500 . 4.500 2.812 1.773 3.929 0.027 13 0 "[ . 1 . 2]" 1
1026 1 73 ASP HB3 1 74 LEU MD1 5.500 . 5.500 4.141 2.404 5.466 . 0 0 "[ . 1 . 2]" 1
1027 1 56 ASN HB3 1 74 LEU H 5.500 . 5.500 4.550 2.997 5.522 0.022 4 0 "[ . 1 . 2]" 1
1028 1 56 ASN HB2 1 74 LEU H 5.500 . 5.500 4.770 3.209 5.507 0.007 17 0 "[ . 1 . 2]" 1
1029 1 73 ASP HA 1 74 LEU H 3.500 . 3.500 3.317 2.445 3.553 0.053 12 0 "[ . 1 . 2]" 1
1030 1 74 LEU H 1 74 LEU HB2 3.500 . 3.500 2.637 2.155 3.676 0.176 17 0 "[ . 1 . 2]" 1
1031 1 74 LEU H 1 74 LEU MD2 4.500 . 4.500 3.938 2.102 4.590 0.090 20 0 "[ . 1 . 2]" 1
1032 1 75 LEU HA 1 75 LEU MD1 3.500 . 3.500 3.087 2.176 3.627 0.127 11 0 "[ . 1 . 2]" 1
1033 1 75 LEU HA 1 76 LYS H 3.500 . 3.500 2.327 2.146 2.383 . 0 0 "[ . 1 . 2]" 1
1034 1 75 LEU HB2 1 75 LEU MD1 3.500 . 3.500 2.478 1.924 3.172 . 0 0 "[ . 1 . 2]" 1
1035 1 75 LEU QB 1 76 LYS H 3.500 . 3.500 2.855 2.312 3.286 . 0 0 "[ . 1 . 2]" 1
1036 1 75 LEU QD 1 76 LYS H 3.500 . 3.500 2.525 1.785 3.337 0.015 1 0 "[ . 1 . 2]" 1
1037 1 74 LEU H 1 75 LEU H 3.500 . 3.500 3.074 2.289 3.561 0.061 17 0 "[ . 1 . 2]" 1
1038 1 75 LEU H 1 75 LEU MD1 4.500 . 4.500 3.704 1.770 4.463 0.030 3 0 "[ . 1 . 2]" 1
1039 1 75 LEU H 1 75 LEU MD2 4.500 . 4.500 4.027 2.999 4.598 0.098 13 0 "[ . 1 . 2]" 1
1040 1 75 LEU H 1 75 LEU QD 4.500 . 4.500 3.227 1.767 3.668 0.033 3 0 "[ . 1 . 2]" 1
1041 1 75 LEU H 1 76 LYS H 5.500 . 5.500 4.555 4.506 4.610 . 0 0 "[ . 1 . 2]" 1
1042 1 76 LYS HA 1 77 GLU H 3.500 . 3.500 2.214 2.136 2.284 . 0 0 "[ . 1 . 2]" 1
1043 1 76 LYS QB 1 77 GLU H 3.500 . 3.500 3.133 2.677 3.547 0.047 15 0 "[ . 1 . 2]" 1
1044 1 75 LEU HB3 1 76 LYS H 3.500 . 3.500 3.003 2.473 3.723 0.223 3 0 "[ . 1 . 2]" 1
1045 1 75 LEU MD2 1 76 LYS H 3.500 . 3.500 2.900 2.108 3.540 0.040 8 0 "[ . 1 . 2]" 1
1046 1 76 LYS H 1 76 LYS HB2 3.500 . 3.500 2.622 2.256 3.182 . 0 0 "[ . 1 . 2]" 1
1047 1 76 LYS H 1 77 GLU H 4.500 . 4.500 4.506 4.428 4.551 0.051 1 0 "[ . 1 . 2]" 1
1048 1 77 GLU HA 1 78 GLY HA2 5.500 . 5.500 4.449 4.369 4.538 . 0 0 "[ . 1 . 2]" 1
1049 1 77 GLU HB2 1 78 GLY HA2 5.500 . 5.500 4.492 4.094 4.891 . 0 0 "[ . 1 . 2]" 1
1050 1 77 GLU HB2 1 78 GLY H 4.500 . 4.500 3.750 2.999 4.387 . 0 0 "[ . 1 . 2]" 1
1051 1 77 GLU H 1 77 GLU HB2 3.500 . 3.500 3.478 2.650 3.648 0.148 18 0 "[ . 1 . 2]" 1
1052 1 77 GLU H 1 77 GLU HG3 3.500 . 3.500 2.663 1.863 3.857 0.357 17 0 "[ . 1 . 2]" 1
1053 1 77 GLU H 1 77 GLU HG2 3.500 . 3.500 2.800 1.861 3.538 0.038 12 0 "[ . 1 . 2]" 1
1054 1 77 GLU H 1 77 GLU QG 3.500 . 3.500 2.293 1.816 2.796 . 0 0 "[ . 1 . 2]" 1
1055 1 77 GLU H 1 78 GLY H 6.500 . 6.500 4.261 3.776 4.678 . 0 0 "[ . 1 . 2]" 1
1056 1 26 ILE HB 1 78 GLY HA3 3.500 . 3.500 3.229 2.663 3.570 0.070 8 0 "[ . 1 . 2]" 1
1057 1 26 ILE HB 1 78 GLY HA2 3.500 . 3.500 2.100 1.882 2.672 . 0 0 "[ . 1 . 2]" 1
1058 1 78 GLY HA2 1 79 GLN HA 5.500 . 5.500 4.426 4.303 4.588 . 0 0 "[ . 1 . 2]" 1
1059 1 78 GLY HA2 1 79 GLN HB3 5.500 . 5.500 5.284 5.168 5.434 . 0 0 "[ . 1 . 2]" 1
1060 1 78 GLY HA2 1 79 GLN QG 4.500 . 4.500 4.221 3.957 4.477 . 0 0 "[ . 1 . 2]" 1
1061 1 78 GLY HA2 1 79 GLN H 3.500 . 3.500 3.102 2.625 3.554 0.054 8 0 "[ . 1 . 2]" 1
1062 1 77 GLU HG3 1 78 GLY H 5.500 . 5.500 4.981 4.094 5.518 0.018 8 0 "[ . 1 . 2]" 1
1063 1 78 GLY H 1 79 GLN QG 4.500 . 4.500 3.171 2.501 3.786 . 0 0 "[ . 1 . 2]" 1
1064 1 24 ILE MG 1 79 GLN HA 4.500 . 4.500 3.865 3.574 4.145 . 0 0 "[ . 1 . 2]" 1
1065 1 79 GLN HA 1 80 ALA HA 5.500 . 5.500 4.386 4.365 4.397 . 0 0 "[ . 1 . 2]" 1
1066 1 79 GLN HA 1 80 ALA H 3.500 . 3.500 2.348 2.309 2.410 . 0 0 "[ . 1 . 2]" 1
1067 1 23 ILE H 1 79 GLN HB3 5.500 . 5.500 4.433 4.236 4.643 . 0 0 "[ . 1 . 2]" 1
1068 1 79 GLN HB3 1 80 ALA H 4.500 . 4.500 3.554 3.429 3.720 . 0 0 "[ . 1 . 2]" 1
1069 1 24 ILE HB 1 79 GLN HB2 6.500 . 6.500 5.416 5.136 5.839 . 0 0 "[ . 1 . 2]" 1
1070 1 24 ILE MG 1 79 GLN HB2 3.500 . 3.500 3.260 3.106 3.438 . 0 0 "[ . 1 . 2]" 1
1071 1 24 ILE HA 1 79 GLN H 5.500 . 5.500 4.826 4.401 5.168 . 0 0 "[ . 1 . 2]" 1
1072 1 50 TYR HA 1 79 GLN H 5.500 . 5.500 5.570 5.482 5.611 0.111 19 0 "[ . 1 . 2]" 1
1073 1 52 ASP HA 1 79 GLN H 6.500 . 6.500 3.452 3.184 3.979 . 0 0 "[ . 1 . 2]" 1
1074 1 78 GLY H 1 79 GLN H 5.500 . 5.500 2.089 1.803 2.284 . 0 0 "[ . 1 . 2]" 1
1075 1 35 VAL MG1 1 80 ALA HA 6.500 . 6.500 4.213 4.114 4.261 . 0 0 "[ . 1 . 2]" 1
1076 1 50 TYR HA 1 80 ALA HA 3.500 . 3.500 1.762 1.732 1.785 0.068 17 0 "[ . 1 . 2]" 1
1077 1 50 TYR HB3 1 80 ALA HA 5.500 . 5.500 3.711 3.357 4.207 . 0 0 "[ . 1 . 2]" 1
1078 1 80 ALA HA 1 81 MET HB3 5.500 . 5.500 5.022 4.922 5.138 . 0 0 "[ . 1 . 2]" 1
1079 1 80 ALA HA 1 81 MET HB2 5.500 . 5.500 4.061 3.984 4.171 . 0 0 "[ . 1 . 2]" 1
1080 1 80 ALA HA 1 81 MET H 3.500 . 3.500 2.211 2.170 2.243 . 0 0 "[ . 1 . 2]" 1
1081 1 23 ILE HG12 1 80 ALA MB 3.500 . 3.500 3.339 2.780 3.529 0.029 8 0 "[ . 1 . 2]" 1
1082 1 23 ILE H 1 80 ALA MB 4.500 . 4.500 4.202 4.017 4.290 . 0 0 "[ . 1 . 2]" 1
1083 1 35 VAL HA 1 80 ALA MB 4.500 . 4.500 4.520 4.487 4.554 0.054 14 0 "[ . 1 . 2]" 1
1084 1 35 VAL H 1 80 ALA MB 5.500 . 5.500 4.837 4.760 5.014 . 0 0 "[ . 1 . 2]" 1
1085 1 50 TYR HB3 1 80 ALA MB 3.500 . 3.500 2.765 2.305 3.117 . 0 0 "[ . 1 . 2]" 1
1086 1 80 ALA MB 1 81 MET H 3.500 . 3.500 2.671 2.595 2.796 . 0 0 "[ . 1 . 2]" 1
1087 1 80 ALA MB 1 82 ILE HB 5.500 . 5.500 4.475 4.338 5.145 . 0 0 "[ . 1 . 2]" 1
1088 1 80 ALA MB 1 82 ILE H 5.500 . 5.500 5.144 5.075 5.188 . 0 0 "[ . 1 . 2]" 1
1089 1 23 ILE HA 1 80 ALA H 5.500 . 5.500 4.641 4.354 4.803 . 0 0 "[ . 1 . 2]" 1
1090 1 35 VAL MG1 1 80 ALA H 3.500 . 3.500 3.666 3.622 3.762 0.262 20 0 "[ . 1 . 2]" 1
1091 1 50 TYR HB2 1 80 ALA H 4.500 . 4.500 4.496 4.377 4.588 0.088 5 0 "[ . 1 . 2]" 1
1092 1 79 GLN HB2 1 80 ALA H 5.500 . 5.500 2.714 2.612 2.795 . 0 0 "[ . 1 . 2]" 1
1093 1 79 GLN H 1 80 ALA H 5.500 . 5.500 4.381 4.363 4.426 . 0 0 "[ . 1 . 2]" 1
1094 1 80 ALA H 1 80 ALA MB 3.500 . 3.500 2.485 2.414 2.519 . 0 0 "[ . 1 . 2]" 1
1095 1 80 ALA H 1 81 MET H 4.500 . 4.500 4.434 4.421 4.447 . 0 0 "[ . 1 . 2]" 1
1096 1 21 ILE HG13 1 81 MET HA 5.500 . 5.500 5.271 3.918 5.530 0.030 14 0 "[ . 1 . 2]" 1
1097 1 21 ILE HG12 1 81 MET HA 5.500 . 5.500 4.357 3.990 5.546 0.046 4 0 "[ . 1 . 2]" 1
1098 1 81 MET HA 1 82 ILE HA 5.500 . 5.500 4.416 4.402 4.425 . 0 0 "[ . 1 . 2]" 1
1099 1 81 MET HA 1 82 ILE H 3.500 . 3.500 2.231 2.202 2.250 . 0 0 "[ . 1 . 2]" 1
1100 1 81 MET HB3 1 82 ILE H 4.500 . 4.500 3.630 3.530 3.729 . 0 0 "[ . 1 . 2]" 1
1101 1 81 MET QG 1 82 ILE HA 5.500 . 5.500 5.237 4.953 5.432 . 0 0 "[ . 1 . 2]" 1
1102 1 81 MET QG 1 82 ILE MG 5.500 . 5.500 4.493 4.163 4.762 . 0 0 "[ . 1 . 2]" 1
1103 1 81 MET QG 1 82 ILE H 3.500 . 3.500 3.167 2.767 3.434 . 0 0 "[ . 1 . 2]" 1
1104 1 23 ILE MG 1 81 MET H 5.500 . 5.500 4.048 3.952 4.137 . 0 0 "[ . 1 . 2]" 1
1105 1 49 ASP HA 1 81 MET H 5.500 . 5.500 4.617 4.386 4.759 . 0 0 "[ . 1 . 2]" 1
1106 1 81 MET H 1 81 MET HB3 3.500 . 3.500 2.940 2.834 3.068 . 0 0 "[ . 1 . 2]" 1
1107 1 81 MET H 1 82 ILE HB 6.500 . 6.500 5.334 5.240 6.039 . 0 0 "[ . 1 . 2]" 1
1108 1 39 VAL MG2 1 82 ILE HA 5.500 . 5.500 4.755 4.539 4.941 . 0 0 "[ . 1 . 2]" 1
1109 1 82 ILE HA 1 82 ILE MD 4.500 . 4.500 3.084 2.610 3.193 . 0 0 "[ . 1 . 2]" 1
1110 1 82 ILE HA 1 83 ARG HA 5.500 . 5.500 4.422 4.389 4.434 . 0 0 "[ . 1 . 2]" 1
1111 1 82 ILE HA 1 83 ARG H 3.500 . 3.500 2.256 2.230 2.280 . 0 0 "[ . 1 . 2]" 1
1112 1 82 ILE MD 1 83 ARG HA 4.500 . 4.500 2.851 2.754 2.897 . 0 0 "[ . 1 . 2]" 1
1113 1 82 ILE MD 1 83 ARG H 4.500 . 4.500 2.496 2.352 2.571 . 0 0 "[ . 1 . 2]" 1
1114 1 82 ILE MD 1 84 PHE HA 5.500 . 5.500 3.493 3.326 3.598 . 0 0 "[ . 1 . 2]" 1
1115 1 82 ILE MD 1 84 PHE QD 4.500 . 4.500 2.710 2.236 2.951 . 0 0 "[ . 1 . 2]" 1
1116 1 82 ILE MD 1 84 PHE QE 4.500 . 4.500 2.117 1.802 2.477 . 0 0 "[ . 1 . 2]" 1
1117 1 82 ILE MD 1 84 PHE H 5.500 . 5.500 3.223 2.770 3.308 . 0 0 "[ . 1 . 2]" 1
1118 1 82 ILE MD 1 84 PHE HZ 4.500 . 4.500 2.632 2.522 3.498 . 0 0 "[ . 1 . 2]" 1
1119 1 82 ILE MG 1 83 ARG HA 5.500 . 5.500 4.048 3.943 4.920 . 0 0 "[ . 1 . 2]" 1
1120 1 82 ILE MG 1 83 ARG H 4.500 . 4.500 4.050 3.989 4.456 . 0 0 "[ . 1 . 2]" 1
1121 1 82 ILE MG 1 84 PHE H 5.500 . 5.500 5.011 4.879 5.918 0.418 8 0 "[ . 1 . 2]" 1
1122 1 81 MET HG3 1 82 ILE H 5.500 . 5.500 4.353 4.223 4.473 . 0 0 "[ . 1 . 2]" 1
1123 1 81 MET H 1 82 ILE H 4.500 . 4.500 4.501 4.486 4.513 0.013 17 0 "[ . 1 . 2]" 1
1124 1 82 ILE H 1 82 ILE HB 3.500 . 3.500 3.172 3.118 3.643 0.143 8 0 "[ . 1 . 2]" 1
1125 1 82 ILE H 1 82 ILE MD 4.500 . 4.500 3.945 3.877 4.180 . 0 0 "[ . 1 . 2]" 1
1126 1 82 ILE H 1 82 ILE MG 4.500 . 4.500 2.024 1.864 2.128 . 0 0 "[ . 1 . 2]" 1
1127 1 20 LEU MD2 1 83 ARG HA 3.500 . 3.500 3.399 2.838 3.566 0.066 17 0 "[ . 1 . 2]" 1
1128 1 83 ARG HA 1 83 ARG HD3 5.500 . 5.500 4.460 4.307 4.540 . 0 0 "[ . 1 . 2]" 1
1129 1 83 ARG HA 1 83 ARG HD2 5.500 . 5.500 4.633 4.518 4.721 . 0 0 "[ . 1 . 2]" 1
1130 1 83 ARG HA 1 84 PHE H 3.500 . 3.500 2.138 2.097 2.162 . 0 0 "[ . 1 . 2]" 1
1131 1 83 ARG HB3 1 84 PHE H 5.500 . 5.500 4.045 3.684 4.169 . 0 0 "[ . 1 . 2]" 1
1132 1 20 LEU MD2 1 83 ARG HB2 4.500 . 4.500 3.335 3.016 3.860 . 0 0 "[ . 1 . 2]" 1
1133 1 83 ARG QB 1 84 PHE H 4.500 . 4.500 3.701 3.506 3.756 . 0 0 "[ . 1 . 2]" 1
1134 1 82 ILE HB 1 83 ARG H 4.500 . 4.500 4.288 3.869 4.386 . 0 0 "[ . 1 . 2]" 1
1135 1 82 ILE H 1 83 ARG H 4.500 . 4.500 4.369 4.333 4.403 . 0 0 "[ . 1 . 2]" 1
1136 1 83 ARG H 1 83 ARG QB 3.500 . 3.500 2.504 2.469 2.542 . 0 0 "[ . 1 . 2]" 1
1137 1 83 ARG H 1 83 ARG HD3 5.500 . 5.500 4.877 4.676 5.244 . 0 0 "[ . 1 . 2]" 1
1138 1 83 ARG H 1 83 ARG HD2 5.500 . 5.500 5.530 5.433 5.620 0.120 7 0 "[ . 1 . 2]" 1
1139 1 83 ARG H 1 84 PHE QD 5.500 . 5.500 4.920 4.616 5.173 . 0 0 "[ . 1 . 2]" 1
1140 1 83 ARG H 1 84 PHE H 4.500 . 4.500 4.318 4.219 4.348 . 0 0 "[ . 1 . 2]" 1
1141 1 46 PHE HA 1 84 PHE HA 3.500 . 3.500 2.754 2.668 2.918 . 0 0 "[ . 1 . 2]" 1
1142 1 46 PHE HB2 1 84 PHE HA 3.500 . 3.500 1.879 1.838 1.927 . 0 0 "[ . 1 . 2]" 1
1143 1 84 PHE HA 1 84 PHE QD 3.500 . 3.500 3.250 3.027 3.297 . 0 0 "[ . 1 . 2]" 1
1144 1 84 PHE HA 1 84 PHE QE 5.500 . 5.500 4.880 4.570 4.968 . 0 0 "[ . 1 . 2]" 1
1145 1 84 PHE HA 1 85 GLN HG3 4.500 . 4.500 4.014 3.717 4.522 0.022 1 0 "[ . 1 . 2]" 1
1146 1 84 PHE HA 1 85 GLN HG2 4.500 . 4.500 3.891 3.376 4.492 . 0 0 "[ . 1 . 2]" 1
1147 1 84 PHE HA 1 85 GLN QG 5.500 . 5.500 3.493 3.283 3.985 . 0 0 "[ . 1 . 2]" 1
1148 1 84 PHE HA 1 89 GLU QB 5.500 . 5.500 5.103 4.816 5.287 . 0 0 "[ . 1 . 2]" 1
1149 1 84 PHE HA 1 90 GLN HB2 6.500 . 6.500 5.037 4.687 5.650 . 0 0 "[ . 1 . 2]" 1
1150 1 84 PHE HB3 1 85 GLN HA 5.500 . 5.500 4.918 4.557 5.051 . 0 0 "[ . 1 . 2]" 1
1151 1 84 PHE HB3 1 85 GLN H 4.500 . 4.500 2.663 2.510 2.915 . 0 0 "[ . 1 . 2]" 1
1152 1 84 PHE HB3 1 86 ASN H 4.500 . 4.500 2.614 2.060 2.922 . 0 0 "[ . 1 . 2]" 1
1153 1 84 PHE HB3 1 89 GLU QB 4.500 . 4.500 3.018 2.716 3.223 . 0 0 "[ . 1 . 2]" 1
1154 1 84 PHE HB3 1 90 GLN HA 5.500 . 5.500 3.989 3.735 4.393 . 0 0 "[ . 1 . 2]" 1
1155 1 84 PHE HB3 1 90 GLN HB3 5.500 . 5.500 4.960 4.477 5.436 . 0 0 "[ . 1 . 2]" 1
1156 1 84 PHE HB3 1 90 GLN H 4.500 . 4.500 3.418 3.137 3.653 . 0 0 "[ . 1 . 2]" 1
1157 1 84 PHE HB2 1 86 ASN H 4.500 . 4.500 2.675 2.339 3.181 . 0 0 "[ . 1 . 2]" 1
1158 1 84 PHE QD 1 85 GLN H 5.500 . 5.500 4.240 3.714 4.473 . 0 0 "[ . 1 . 2]" 1
1159 1 84 PHE QD 1 90 GLN HB3 5.500 . 5.500 4.195 4.058 4.742 . 0 0 "[ . 1 . 2]" 1
1160 1 84 PHE QE 1 90 GLN HB3 5.500 . 5.500 4.812 4.516 5.311 . 0 0 "[ . 1 . 2]" 1
1161 1 84 PHE QE 1 90 GLN H 5.500 . 5.500 5.004 4.412 5.291 . 0 0 "[ . 1 . 2]" 1
1162 1 83 ARG HB2 1 84 PHE H 4.500 . 4.500 4.298 4.220 4.397 . 0 0 "[ . 1 . 2]" 1
1163 1 83 ARG HD3 1 84 PHE H 6.500 . 6.500 5.014 4.769 5.316 . 0 0 "[ . 1 . 2]" 1
1164 1 84 PHE H 1 84 PHE QD 4.500 . 4.500 1.854 1.787 2.311 0.013 7 0 "[ . 1 . 2]" 1
1165 1 84 PHE H 1 84 PHE QE 4.500 . 4.500 4.055 3.877 4.640 0.140 17 0 "[ . 1 . 2]" 1
1166 1 84 PHE H 1 85 GLN H 5.500 . 5.500 4.558 4.530 4.573 . 0 0 "[ . 1 . 2]" 1
1167 1 84 PHE H 1 89 GLU HB2 6.500 . 6.500 6.462 6.128 6.549 0.049 4 0 "[ . 1 . 2]" 1
1168 1 84 PHE H 1 90 GLN HB2 5.500 . 5.500 4.063 3.803 4.722 . 0 0 "[ . 1 . 2]" 1
1169 1 84 PHE HZ 1 93 ALA MB 5.500 . 5.500 3.497 2.381 3.849 . 0 0 "[ . 1 . 2]" 1
1170 1 84 PHE HZ 1 94 ILE H 6.500 . 6.500 5.871 5.433 6.191 . 0 0 "[ . 1 . 2]" 1
1171 1 19 CYS HB3 1 85 GLN HA 5.500 . 5.500 5.490 5.130 5.557 0.057 6 0 "[ . 1 . 2]" 1
1172 1 19 CYS HB2 1 85 GLN HA 5.500 . 5.500 4.799 4.586 5.336 . 0 0 "[ . 1 . 2]" 1
1173 1 85 GLN QB 1 86 ASN H 3.500 . 3.500 3.403 3.266 3.515 0.015 20 0 "[ . 1 . 2]" 1
1174 1 85 GLN H 1 85 GLN HB3 3.500 . 3.500 3.552 3.511 3.593 0.093 4 0 "[ . 1 . 2]" 1
1175 1 85 GLN H 1 85 GLN HB2 3.500 . 3.500 2.761 2.307 3.099 . 0 0 "[ . 1 . 2]" 1
1176 1 85 GLN H 1 85 GLN QG 4.500 . 4.500 2.072 1.799 2.739 0.001 17 0 "[ . 1 . 2]" 1
1177 1 85 GLN H 1 89 GLU QB 5.500 . 5.500 4.417 4.198 4.763 . 0 0 "[ . 1 . 2]" 1
1178 1 85 GLN H 1 89 GLU QG 5.500 . 5.500 4.723 4.470 5.137 . 0 0 "[ . 1 . 2]" 1
1179 1 16 LYS HB2 1 86 ASN HA 6.500 . 6.500 4.415 3.604 5.163 . 0 0 "[ . 1 . 2]" 1
1180 1 86 ASN HA 1 87 SER QB 5.500 . 5.500 4.455 4.278 4.714 . 0 0 "[ . 1 . 2]" 1
1181 1 86 ASN HA 1 87 SER H 3.500 . 3.500 2.230 2.084 2.364 . 0 0 "[ . 1 . 2]" 1
1182 1 86 ASN HA 1 89 GLU QB 5.500 . 5.500 4.817 4.380 5.234 . 0 0 "[ . 1 . 2]" 1
1183 1 86 ASN HB2 1 87 SER H 4.500 . 4.500 4.203 3.952 4.433 . 0 0 "[ . 1 . 2]" 1
1184 1 86 ASN QB 1 87 SER H 4.500 . 4.500 3.056 2.582 3.449 . 0 0 "[ . 1 . 2]" 1
1185 1 86 ASN QB 1 88 ASP H 4.500 . 4.500 3.076 2.575 3.554 . 0 0 "[ . 1 . 2]" 1
1186 1 86 ASN QB 1 89 GLU QB 5.500 . 5.500 2.770 2.341 3.365 . 0 0 "[ . 1 . 2]" 1
1187 1 86 ASN QB 1 89 GLU H 4.500 . 4.500 2.138 1.990 2.449 . 0 0 "[ . 1 . 2]" 1
1188 1 16 LYS HB2 1 86 ASN H 5.500 . 5.500 5.418 4.682 5.667 0.167 20 0 "[ . 1 . 2]" 1
1189 1 85 GLN HA 1 86 ASN H 5.500 . 5.500 3.306 3.244 3.334 . 0 0 "[ . 1 . 2]" 1
1190 1 85 GLN HB3 1 86 ASN H 5.500 . 5.500 4.401 4.156 4.525 . 0 0 "[ . 1 . 2]" 1
1191 1 85 GLN HB2 1 86 ASN H 5.500 . 5.500 3.543 3.411 3.667 . 0 0 "[ . 1 . 2]" 1
1192 1 85 GLN H 1 86 ASN H 3.500 . 3.500 2.573 2.405 2.680 . 0 0 "[ . 1 . 2]" 1
1193 1 86 ASN H 1 87 SER H 4.500 . 4.500 4.246 4.033 4.315 . 0 0 "[ . 1 . 2]" 1
1194 1 86 ASN H 1 89 GLU HB2 4.500 . 4.500 3.430 3.285 3.697 . 0 0 "[ . 1 . 2]" 1
1195 1 86 ASN H 1 89 GLU QB 4.500 . 4.500 3.371 3.228 3.628 . 0 0 "[ . 1 . 2]" 1
1196 1 86 ASN H 1 89 GLU QG 4.500 . 4.500 3.720 3.331 3.921 . 0 0 "[ . 1 . 2]" 1
1197 1 86 ASN H 1 89 GLU H 4.500 . 4.500 4.619 4.558 4.671 0.171 6 0 "[ . 1 . 2]" 1
1198 1 86 ASN H 1 90 GLN H 4.500 . 4.500 4.027 3.877 4.268 . 0 0 "[ . 1 . 2]" 1
1199 1 18 ASN HB3 1 87 SER HA 6.500 . 6.500 4.397 3.741 5.037 . 0 0 "[ . 1 . 2]" 1
1200 1 18 ASN HB2 1 87 SER HA 5.500 . 5.500 2.817 2.471 3.432 . 0 0 "[ . 1 . 2]" 1
1201 1 87 SER HA 1 90 GLN HB3 3.500 . 3.500 2.818 2.606 2.974 . 0 0 "[ . 1 . 2]" 1
1202 1 87 SER HA 1 90 GLN HB2 3.500 . 3.500 3.338 3.170 3.485 . 0 0 "[ . 1 . 2]" 1
1203 1 87 SER HA 1 91 ARG H 4.500 . 4.500 4.064 3.937 4.273 . 0 0 "[ . 1 . 2]" 1
1204 1 18 ASN HB2 1 87 SER HB3 4.500 . 4.500 3.748 3.014 4.230 . 0 0 "[ . 1 . 2]" 1
1205 1 18 ASN HB2 1 87 SER HB2 4.500 . 4.500 2.721 2.029 3.494 . 0 0 "[ . 1 . 2]" 1
1206 1 87 SER QB 1 88 ASP H 4.500 . 4.500 3.248 2.926 3.438 . 0 0 "[ . 1 . 2]" 1
1207 1 87 SER QB 1 90 GLN HB3 5.500 . 5.500 4.174 3.913 4.323 . 0 0 "[ . 1 . 2]" 1
1208 1 86 ASN HB3 1 87 SER H 4.500 . 4.500 3.142 2.617 3.626 . 0 0 "[ . 1 . 2]" 1
1209 1 87 SER H 1 88 ASP QB 5.500 . 5.500 4.774 4.517 5.018 . 0 0 "[ . 1 . 2]" 1
1210 1 87 SER H 1 89 GLU QB 5.500 . 5.500 5.146 4.898 5.420 . 0 0 "[ . 1 . 2]" 1
1211 1 87 SER H 1 89 GLU HG3 6.500 . 6.500 5.680 4.746 6.028 . 0 0 "[ . 1 . 2]" 1
1212 1 87 SER H 1 89 GLU HG2 6.500 . 6.500 5.206 4.725 6.409 . 0 0 "[ . 1 . 2]" 1
1213 1 87 SER H 1 89 GLU H 4.500 . 4.500 4.001 3.926 4.166 . 0 0 "[ . 1 . 2]" 1
1214 1 87 SER H 1 90 GLN HB3 5.500 . 5.500 5.418 5.192 5.568 0.068 8 0 "[ . 1 . 2]" 1
1215 1 87 SER H 1 90 GLN HB2 5.500 . 5.500 5.571 5.514 5.632 0.132 7 0 "[ . 1 . 2]" 1
1216 1 87 SER H 1 90 GLN H 5.500 . 5.500 4.842 4.789 4.966 . 0 0 "[ . 1 . 2]" 1
1217 1 88 ASP HA 1 91 ARG QD 4.500 . 4.500 3.038 2.792 3.366 . 0 0 "[ . 1 . 2]" 1
1218 1 88 ASP HA 1 92 LEU H 5.500 . 5.500 4.185 4.023 4.622 . 0 0 "[ . 1 . 2]" 1
1219 1 88 ASP QB 1 89 GLU H 4.500 . 4.500 2.603 2.426 3.200 . 0 0 "[ . 1 . 2]" 1
1220 1 88 ASP QB 1 91 ARG QD 5.500 . 5.500 3.557 3.167 3.919 . 0 0 "[ . 1 . 2]" 1
1221 1 87 SER HB3 1 88 ASP H 4.500 . 4.500 3.889 3.738 4.044 . 0 0 "[ . 1 . 2]" 1
1222 1 87 SER HB2 1 88 ASP H 4.500 . 4.500 3.506 3.007 3.826 . 0 0 "[ . 1 . 2]" 1
1223 1 87 SER H 1 88 ASP H 3.500 . 3.500 2.493 2.268 2.745 . 0 0 "[ . 1 . 2]" 1
1224 1 88 ASP H 1 88 ASP HB3 3.500 . 3.500 3.507 2.973 3.571 0.071 19 0 "[ . 1 . 2]" 1
1225 1 88 ASP H 1 88 ASP QB 3.500 . 3.500 2.761 2.609 2.842 . 0 0 "[ . 1 . 2]" 1
1226 1 88 ASP H 1 90 GLN H 4.500 . 4.500 4.524 4.474 4.556 0.056 4 0 "[ . 1 . 2]" 1
1227 1 89 GLU HA 1 91 ARG HB3 4.500 . 4.500 4.587 4.550 4.669 0.169 8 0 "[ . 1 . 2]" 1
1228 1 89 GLU HA 1 92 LEU QB 4.500 . 4.500 2.403 2.256 2.559 . 0 0 "[ . 1 . 2]" 1
1229 1 89 GLU HA 1 92 LEU MD1 3.500 . 3.500 2.080 1.829 2.445 . 0 0 "[ . 1 . 2]" 1
1230 1 89 GLU HA 1 92 LEU QD 4.500 . 4.500 2.072 1.827 2.425 . 0 0 "[ . 1 . 2]" 1
1231 1 89 GLU HA 1 92 LEU H 4.500 . 4.500 3.321 3.185 3.406 . 0 0 "[ . 1 . 2]" 1
1232 1 89 GLU QB 1 90 GLN H 3.500 . 3.500 2.131 2.088 2.179 . 0 0 "[ . 1 . 2]" 1
1233 1 84 PHE HB2 1 89 GLU HG3 6.500 . 6.500 5.541 4.924 6.109 . 0 0 "[ . 1 . 2]" 1
1234 1 84 PHE HB2 1 89 GLU HG2 6.500 . 6.500 6.094 5.582 6.475 . 0 0 "[ . 1 . 2]" 1
1235 1 89 GLU QG 1 92 LEU QB 5.500 . 5.500 4.816 4.345 5.073 . 0 0 "[ . 1 . 2]" 1
1236 1 87 SER HA 1 89 GLU H 6.500 . 6.500 4.347 4.289 4.416 . 0 0 "[ . 1 . 2]" 1
1237 1 87 SER HB3 1 89 GLU H 6.500 . 6.500 5.865 5.753 5.994 . 0 0 "[ . 1 . 2]" 1
1238 1 87 SER HB2 1 89 GLU H 6.500 . 6.500 5.536 5.182 5.779 . 0 0 "[ . 1 . 2]" 1
1239 1 89 GLU H 1 89 GLU HB2 3.500 . 3.500 2.629 2.457 2.779 . 0 0 "[ . 1 . 2]" 1
1240 1 89 GLU H 1 89 GLU QB 3.500 . 3.500 2.566 2.417 2.687 . 0 0 "[ . 1 . 2]" 1
1241 1 89 GLU H 1 89 GLU HG3 3.500 . 3.500 3.197 2.146 3.509 0.009 7 0 "[ . 1 . 2]" 1
1242 1 89 GLU H 1 89 GLU HG2 3.500 . 3.500 2.067 1.847 2.768 . 0 0 "[ . 1 . 2]" 1
1243 1 89 GLU H 1 89 GLU QG 4.500 . 4.500 1.992 1.837 2.254 . 0 0 "[ . 1 . 2]" 1
1244 1 89 GLU H 1 91 ARG H 4.500 . 4.500 4.075 4.025 4.124 . 0 0 "[ . 1 . 2]" 1
1245 1 89 GLU H 1 92 LEU QD 5.500 . 5.500 3.776 3.537 4.032 . 0 0 "[ . 1 . 2]" 1
1246 1 89 GLU H 1 92 LEU H 5.500 . 5.500 4.749 4.641 4.880 . 0 0 "[ . 1 . 2]" 1
1247 1 90 GLN HB3 1 91 ARG H 3.500 . 3.500 2.398 2.310 2.461 . 0 0 "[ . 1 . 2]" 1
1248 1 90 GLN HB3 1 92 LEU H 5.500 . 5.500 5.146 4.633 5.254 . 0 0 "[ . 1 . 2]" 1
1249 1 19 CYS HA 1 90 GLN H 5.500 . 5.500 4.075 3.866 4.152 . 0 0 "[ . 1 . 2]" 1
1250 1 87 SER HB2 1 90 GLN H 5.500 . 5.500 5.581 5.540 5.614 0.114 12 0 "[ . 1 . 2]" 1
1251 1 89 GLU HB3 1 90 GLN H 3.500 . 3.500 3.390 3.208 3.471 . 0 0 "[ . 1 . 2]" 1
1252 1 89 GLU HB2 1 90 GLN H 3.500 . 3.500 2.154 2.104 2.211 . 0 0 "[ . 1 . 2]" 1
1253 1 89 GLU H 1 90 GLN H 3.500 . 3.500 2.819 2.763 2.858 . 0 0 "[ . 1 . 2]" 1
1254 1 90 GLN H 1 90 GLN HB3 3.500 . 3.500 2.705 2.528 2.841 . 0 0 "[ . 1 . 2]" 1
1255 1 90 GLN H 1 91 ARG H 3.500 . 3.500 2.915 2.887 2.943 . 0 0 "[ . 1 . 2]" 1
1256 1 91 ARG HA 1 91 ARG HD3 5.500 . 5.500 4.249 3.839 4.500 . 0 0 "[ . 1 . 2]" 1
1257 1 91 ARG HA 1 91 ARG HD2 5.500 . 5.500 4.650 4.440 4.839 . 0 0 "[ . 1 . 2]" 1
1258 1 91 ARG HA 1 91 ARG QD 4.500 . 4.500 3.932 3.635 4.131 . 0 0 "[ . 1 . 2]" 1
1259 1 91 ARG HA 1 91 ARG HG3 4.500 . 4.500 3.483 3.314 3.648 . 0 0 "[ . 1 . 2]" 1
1260 1 91 ARG HA 1 91 ARG HG2 4.500 . 4.500 2.747 2.576 3.011 . 0 0 "[ . 1 . 2]" 1
1261 1 91 ARG HA 1 94 ILE HB 3.500 . 3.500 2.199 2.083 2.748 . 0 0 "[ . 1 . 2]" 1
1262 1 91 ARG HA 1 94 ILE HG13 5.500 . 5.500 4.848 4.657 5.475 . 0 0 "[ . 1 . 2]" 1
1263 1 91 ARG HA 1 94 ILE HG12 5.500 . 5.500 4.278 4.052 4.954 . 0 0 "[ . 1 . 2]" 1
1264 1 87 SER HA 1 91 ARG HB3 5.500 . 5.500 5.511 5.401 5.604 0.104 5 0 "[ . 1 . 2]" 1
1265 1 88 ASP HB3 1 91 ARG HB3 4.500 . 4.500 4.314 4.179 4.514 0.014 18 0 "[ . 1 . 2]" 1
1266 1 91 ARG HB3 1 91 ARG HD3 3.500 . 3.500 2.627 2.380 3.028 . 0 0 "[ . 1 . 2]" 1
1267 1 91 ARG HB3 1 91 ARG HD2 3.500 . 3.500 2.234 1.986 2.418 . 0 0 "[ . 1 . 2]" 1
1268 1 91 ARG HB3 1 91 ARG QD 3.500 . 3.500 2.104 1.961 2.150 . 0 0 "[ . 1 . 2]" 1
1269 1 91 ARG HB3 1 92 LEU H 4.500 . 4.500 2.293 2.154 2.942 . 0 0 "[ . 1 . 2]" 1
1270 1 18 ASN HD22 1 91 ARG HB2 5.500 . 5.500 5.293 4.514 5.538 0.038 20 0 "[ . 1 . 2]" 1
1271 1 87 SER HA 1 91 ARG HB2 6.500 . 6.500 5.470 5.138 5.896 . 0 0 "[ . 1 . 2]" 1
1272 1 88 ASP HB3 1 91 ARG HB2 5.500 . 5.500 5.567 5.539 5.593 0.093 18 0 "[ . 1 . 2]" 1
1273 1 91 ARG HB2 1 91 ARG QD 3.500 . 3.500 3.052 2.879 3.176 . 0 0 "[ . 1 . 2]" 1
1274 1 91 ARG HB2 1 92 LEU H 4.500 . 4.500 3.714 3.641 4.145 . 0 0 "[ . 1 . 2]" 1
1275 1 91 ARG QB 1 91 ARG QD 3.500 . 3.500 2.068 1.942 2.113 . 0 0 "[ . 1 . 2]" 1
1276 1 91 ARG QB 1 92 LEU H 3.500 . 3.500 2.271 2.139 2.884 . 0 0 "[ . 1 . 2]" 1
1277 1 91 ARG HG3 1 95 GLN HB3 5.500 . 5.500 5.348 5.050 5.523 0.023 8 0 "[ . 1 . 2]" 1
1278 1 91 ARG HG2 1 95 GLN HB3 5.500 . 5.500 3.780 3.508 4.122 . 0 0 "[ . 1 . 2]" 1
1279 1 91 ARG HG2 1 95 GLN HB2 5.500 . 5.500 3.875 3.630 4.126 . 0 0 "[ . 1 . 2]" 1
1280 1 91 ARG QG 1 92 LEU HA 4.500 . 4.500 3.507 3.029 4.020 . 0 0 "[ . 1 . 2]" 1
1281 1 88 ASP HB2 1 91 ARG H 6.500 . 6.500 5.486 5.309 5.530 . 0 0 "[ . 1 . 2]" 1
1282 1 91 ARG H 1 91 ARG HB2 3.500 . 3.500 2.709 2.586 2.860 . 0 0 "[ . 1 . 2]" 1
1283 1 91 ARG H 1 91 ARG QB 3.500 . 3.500 2.143 2.059 2.181 . 0 0 "[ . 1 . 2]" 1
1284 1 91 ARG H 1 91 ARG HD3 4.500 . 4.500 4.474 4.103 4.572 0.072 2 0 "[ . 1 . 2]" 1
1285 1 91 ARG H 1 91 ARG HD2 4.500 . 4.500 4.440 3.860 4.605 0.105 16 0 "[ . 1 . 2]" 1
1286 1 91 ARG H 1 91 ARG QD 5.500 . 5.500 3.961 3.663 4.049 . 0 0 "[ . 1 . 2]" 1
1287 1 91 ARG H 1 91 ARG HG3 4.500 . 4.500 4.586 4.559 4.604 0.104 18 0 "[ . 1 . 2]" 1
1288 1 91 ARG H 1 91 ARG HG2 4.500 . 4.500 4.352 4.269 4.408 . 0 0 "[ . 1 . 2]" 1
1289 1 91 ARG H 1 94 ILE H 5.500 . 5.500 4.644 4.547 4.925 . 0 0 "[ . 1 . 2]" 1
1290 1 92 LEU HA 1 92 LEU QD 3.500 . 3.500 2.913 2.802 2.978 . 0 0 "[ . 1 . 2]" 1
1291 1 92 LEU HB3 1 92 LEU MD2 3.500 . 3.500 1.984 1.887 2.132 . 0 0 "[ . 1 . 2]" 1
1292 1 92 LEU HB2 1 92 LEU MD1 3.500 . 3.500 2.008 1.895 2.177 . 0 0 "[ . 1 . 2]" 1
1293 1 92 LEU QB 1 93 ALA H 3.500 . 3.500 2.528 2.469 2.590 . 0 0 "[ . 1 . 2]" 1
1294 1 91 ARG HD3 1 92 LEU MD1 4.500 . 4.500 2.793 1.932 3.323 . 0 0 "[ . 1 . 2]" 1
1295 1 91 ARG HD2 1 92 LEU MD1 4.500 . 4.500 3.146 2.381 3.934 . 0 0 "[ . 1 . 2]" 1
1296 1 91 ARG H 1 92 LEU MD1 4.500 . 4.500 4.431 4.256 4.529 0.029 18 0 "[ . 1 . 2]" 1
1297 1 92 LEU HA 1 92 LEU MD1 4.500 . 4.500 3.363 2.949 3.578 . 0 0 "[ . 1 . 2]" 1
1298 1 92 LEU MD1 1 93 ALA H 4.500 . 4.500 4.242 4.137 4.393 . 0 0 "[ . 1 . 2]" 1
1299 1 92 LEU H 1 92 LEU QB 3.500 . 3.500 2.269 2.136 2.345 . 0 0 "[ . 1 . 2]" 1
1300 1 92 LEU H 1 93 ALA H 3.500 . 3.500 3.007 2.573 3.054 . 0 0 "[ . 1 . 2]" 1
1301 1 42 LEU HB2 1 93 ALA HA 5.500 . 5.500 5.505 5.369 5.575 0.075 16 0 "[ . 1 . 2]" 1
1302 1 93 ALA HA 1 94 ILE HA 5.500 . 5.500 4.794 4.732 4.867 . 0 0 "[ . 1 . 2]" 1
1303 1 42 LEU HB3 1 93 ALA MB 3.500 . 3.500 3.481 2.967 3.559 0.059 7 0 "[ . 1 . 2]" 1
1304 1 84 PHE QD 1 93 ALA MB 5.500 . 5.500 3.909 3.681 4.172 . 0 0 "[ . 1 . 2]" 1
1305 1 84 PHE QE 1 93 ALA MB 5.500 . 5.500 2.673 2.234 2.938 . 0 0 "[ . 1 . 2]" 1
1306 1 92 LEU HB3 1 93 ALA MB 4.500 . 4.500 4.290 4.192 4.401 . 0 0 "[ . 1 . 2]" 1
1307 1 92 LEU HB2 1 93 ALA MB 4.500 . 4.500 4.186 4.088 4.319 . 0 0 "[ . 1 . 2]" 1
1308 1 93 ALA MB 1 94 ILE HA 4.500 . 4.500 3.777 3.666 3.885 . 0 0 "[ . 1 . 2]" 1
1309 1 93 ALA MB 1 94 ILE HB 4.500 . 4.500 4.249 4.106 4.333 . 0 0 "[ . 1 . 2]" 1
1310 1 93 ALA MB 1 94 ILE MD 3.500 . 3.500 3.462 3.358 3.533 0.033 18 0 "[ . 1 . 2]" 1
1311 1 93 ALA MB 1 94 ILE H 3.500 . 3.500 2.755 2.557 2.922 . 0 0 "[ . 1 . 2]" 1
1312 1 42 LEU HG 1 93 ALA H 5.500 . 5.500 5.513 5.395 5.556 0.056 17 0 "[ . 1 . 2]" 1
1313 1 44 TYR HB3 1 93 ALA H 6.500 . 6.500 6.291 6.088 6.513 0.013 8 0 "[ . 1 . 2]" 1
1314 1 84 PHE QE 1 93 ALA H 6.500 . 6.500 4.851 3.977 5.301 . 0 0 "[ . 1 . 2]" 1
1315 1 93 ALA H 1 94 ILE H 3.500 . 3.500 2.601 2.550 2.737 . 0 0 "[ . 1 . 2]" 1
1316 1 93 ALA H 1 95 GLN H 5.500 . 5.500 4.562 4.479 4.660 . 0 0 "[ . 1 . 2]" 1
1317 1 93 ALA H 1 96 LYS H 5.500 . 5.500 4.952 4.863 5.075 . 0 0 "[ . 1 . 2]" 1
1318 1 94 ILE HA 1 94 ILE HG13 3.500 . 3.500 1.961 1.935 1.997 . 0 0 "[ . 1 . 2]" 1
1319 1 94 ILE HA 1 94 ILE HG12 3.500 . 3.500 3.285 3.222 3.373 . 0 0 "[ . 1 . 2]" 1
1320 1 94 ILE HA 1 94 ILE MG 3.500 . 3.500 2.892 2.799 2.944 . 0 0 "[ . 1 . 2]" 1
1321 1 90 GLN HB3 1 94 ILE HB 5.500 . 5.500 5.473 5.238 5.546 0.046 4 0 "[ . 1 . 2]" 1
1322 1 94 ILE HB 1 94 ILE MD 3.500 . 3.500 2.158 2.052 2.213 . 0 0 "[ . 1 . 2]" 1
1323 1 94 ILE HB 1 95 GLN HB2 5.500 . 5.500 5.278 5.126 5.420 . 0 0 "[ . 1 . 2]" 1
1324 1 94 ILE HB 1 95 GLN H 4.500 . 4.500 2.756 2.602 2.857 . 0 0 "[ . 1 . 2]" 1
1325 1 94 ILE HG12 1 95 GLN H 5.500 . 5.500 4.787 4.742 4.834 . 0 0 "[ . 1 . 2]" 1
1326 1 94 ILE MG 1 95 GLN HG2 5.500 . 5.500 5.161 5.068 5.238 . 0 0 "[ . 1 . 2]" 1
1327 1 94 ILE MG 1 95 GLN H 4.500 . 4.500 1.928 1.831 2.005 . 0 0 "[ . 1 . 2]" 1
1328 1 94 ILE MG 1 96 LYS H 6.500 . 6.500 4.078 3.996 4.145 . 0 0 "[ . 1 . 2]" 1
1329 1 91 ARG HA 1 94 ILE H 4.500 . 4.500 3.320 3.231 3.841 . 0 0 "[ . 1 . 2]" 1
1330 1 94 ILE H 1 94 ILE HB 3.500 . 3.500 2.082 2.046 2.118 . 0 0 "[ . 1 . 2]" 1
1331 1 94 ILE H 1 94 ILE MD 3.500 . 3.500 2.847 2.584 3.078 . 0 0 "[ . 1 . 2]" 1
1332 1 94 ILE H 1 94 ILE HG12 5.500 . 5.500 4.462 4.308 4.579 . 0 0 "[ . 1 . 2]" 1
1333 1 94 ILE H 1 94 ILE MG 3.500 . 3.500 3.386 3.291 3.525 0.025 8 0 "[ . 1 . 2]" 1
1334 1 94 ILE H 1 95 GLN H 3.500 . 3.500 2.794 2.630 3.001 . 0 0 "[ . 1 . 2]" 1
1335 1 94 ILE H 1 96 LYS H 4.500 . 4.500 3.861 3.739 3.995 . 0 0 "[ . 1 . 2]" 1
1336 1 95 GLN HA 1 95 GLN HG2 4.500 . 4.500 3.502 3.299 3.730 . 0 0 "[ . 1 . 2]" 1
1337 1 94 ILE MG 1 95 GLN HB3 3.500 . 3.500 3.562 3.535 3.598 0.098 3 0 "[ . 1 . 2]" 1
1338 1 95 GLN HB3 1 96 LYS HE3 3.500 . 3.500 2.940 2.639 3.147 . 0 0 "[ . 1 . 2]" 1
1339 1 95 GLN HB3 1 96 LYS HE2 3.500 . 3.500 3.326 3.117 3.534 0.034 3 0 "[ . 1 . 2]" 1
1340 1 94 ILE MG 1 95 GLN HB2 3.500 . 3.500 3.306 3.144 3.411 . 0 0 "[ . 1 . 2]" 1
1341 1 95 GLN HB2 1 96 LYS HE3 4.500 . 4.500 4.443 4.206 4.537 0.037 18 0 "[ . 1 . 2]" 1
1342 1 95 GLN HB2 1 96 LYS HE2 4.500 . 4.500 4.478 4.344 4.540 0.040 3 0 "[ . 1 . 2]" 1
1343 1 94 ILE MG 1 95 GLN HG3 5.500 . 5.500 4.974 4.817 5.068 . 0 0 "[ . 1 . 2]" 1
1344 1 95 GLN HG3 1 98 LEU QD 5.500 . 5.500 4.562 3.158 5.433 . 0 0 "[ . 1 . 2]" 1
1345 1 95 GLN HG2 1 96 LYS HB3 5.500 . 5.500 5.429 5.206 5.543 0.043 7 0 "[ . 1 . 2]" 1
1346 1 95 GLN HG2 1 96 LYS HB2 5.500 . 5.500 4.557 4.069 5.279 . 0 0 "[ . 1 . 2]" 1
1347 1 95 GLN HG2 1 96 LYS HD3 5.500 . 5.500 4.092 2.708 4.794 . 0 0 "[ . 1 . 2]" 1
1348 1 95 GLN HG2 1 96 LYS HD2 5.500 . 5.500 4.196 3.612 4.601 . 0 0 "[ . 1 . 2]" 1
1349 1 95 GLN HG2 1 97 LEU H 6.500 . 6.500 5.615 5.437 5.844 . 0 0 "[ . 1 . 2]" 1
1350 1 95 GLN H 1 95 GLN HG3 4.500 . 4.500 4.529 4.439 4.566 0.066 4 0 "[ . 1 . 2]" 1
1351 1 95 GLN H 1 96 LYS H 4.500 . 4.500 2.831 2.796 2.873 . 0 0 "[ . 1 . 2]" 1
1352 1 95 GLN HB2 1 96 LYS HA 6.000 . 6.000 5.614 5.579 5.657 . 0 0 "[ . 1 . 2]" 1
1353 1 96 LYS HA 1 96 LYS HG3 3.500 . 3.500 2.414 2.094 3.584 0.084 7 0 "[ . 1 . 2]" 1
1354 1 96 LYS HA 1 96 LYS HG2 3.500 . 3.500 3.465 3.219 3.567 0.067 5 0 "[ . 1 . 2]" 1
1355 1 95 GLN HA 1 96 LYS HB3 6.500 . 6.500 6.473 6.394 6.553 0.053 7 0 "[ . 1 . 2]" 1
1356 1 95 GLN HA 1 96 LYS HB2 6.500 . 6.500 5.578 5.522 5.692 . 0 0 "[ . 1 . 2]" 1
1357 1 96 LYS QB 1 97 LEU H 4.500 . 4.500 2.360 2.180 2.430 . 0 0 "[ . 1 . 2]" 1
1358 1 96 LYS H 1 96 LYS HD3 6.500 . 6.500 4.268 3.575 4.825 . 0 0 "[ . 1 . 2]" 1
1359 1 96 LYS H 1 96 LYS HD2 6.500 . 6.500 3.705 2.827 4.818 . 0 0 "[ . 1 . 2]" 1
1360 1 96 LYS H 1 96 LYS QE 5.500 . 5.500 2.367 1.992 2.749 . 0 0 "[ . 1 . 2]" 1
1361 1 96 LYS H 1 97 LEU QB 5.500 . 5.500 4.600 4.404 4.807 . 0 0 "[ . 1 . 2]" 1
1362 1 97 LEU QB 1 98 LEU H 5.500 . 5.500 2.581 2.200 3.010 . 0 0 "[ . 1 . 2]" 1
1363 1 93 ALA HA 1 97 LEU H 4.500 . 4.500 4.239 3.868 4.534 0.034 1 0 "[ . 1 . 2]" 1
1364 1 96 LYS HG3 1 97 LEU H 5.500 . 5.500 4.738 4.657 4.769 . 0 0 "[ . 1 . 2]" 1
1365 1 96 LYS HG2 1 97 LEU H 5.500 . 5.500 4.752 4.275 4.840 . 0 0 "[ . 1 . 2]" 1
1366 1 96 LYS H 1 97 LEU H 6.500 . 6.500 2.684 2.621 2.751 . 0 0 "[ . 1 . 2]" 1
1367 1 98 LEU HA 1 98 LEU HG 4.500 . 4.500 2.744 2.127 3.662 . 0 0 "[ . 1 . 2]" 1
1368 1 98 LEU HA 1 99 ASN H 3.500 . 3.500 3.533 3.419 3.559 0.059 20 0 "[ . 1 . 2]" 1
1369 1 98 LEU HB3 1 99 ASN H 5.500 . 5.500 2.803 2.185 3.897 . 0 0 "[ . 1 . 2]" 1
1370 1 98 LEU HB2 1 99 ASN H 5.500 . 5.500 3.305 2.236 3.917 . 0 0 "[ . 1 . 2]" 1
1371 1 98 LEU QB 1 99 ASN H 4.500 . 4.500 2.556 2.168 3.330 . 0 0 "[ . 1 . 2]" 1
1372 1 98 LEU QD 1 99 ASN H 4.500 . 4.500 3.659 2.155 4.275 . 0 0 "[ . 1 . 2]" 1
1373 1 98 LEU H 1 99 ASN H 3.500 . 3.500 2.836 2.508 3.047 . 0 0 "[ . 1 . 2]" 1
1374 1 100 HIS HA 1 101 ASN H 3.500 . 3.500 2.948 2.162 3.554 0.054 19 0 "[ . 1 . 2]" 1
1375 1 101 ASN HB3 1 102 ASN H 5.500 . 5.500 3.647 1.973 4.641 . 0 0 "[ . 1 . 2]" 1
1376 1 101 ASN HB2 1 102 ASN H 5.500 . 5.500 3.675 2.058 4.640 . 0 0 "[ . 1 . 2]" 1
1377 1 101 ASN QB 1 102 ASN H 4.500 . 4.500 3.156 1.852 4.053 . 0 0 "[ . 1 . 2]" 1
1378 1 102 ASN H 1 103 ASN H 4.500 . 4.500 3.804 2.051 4.575 0.075 10 0 "[ . 1 . 2]" 1
1379 1 103 ASN HA 1 104 LYS QB 5.500 . 5.500 4.368 4.060 5.100 . 0 0 "[ . 1 . 2]" 1
1380 1 103 ASN QB 1 104 LYS H 4.500 . 4.500 2.757 1.992 3.756 . 0 0 "[ . 1 . 2]" 1
1381 1 103 ASN H 1 104 LYS H 5.500 . 5.500 4.333 3.541 4.636 . 0 0 "[ . 1 . 2]" 1
1382 1 104 LYS HA 1 105 LEU H 3.500 . 3.500 2.341 2.132 2.647 . 0 0 "[ . 1 . 2]" 1
1383 1 104 LYS HB3 1 105 LEU H 4.500 . 4.500 3.155 1.974 4.483 . 0 0 "[ . 1 . 2]" 1
1384 1 104 LYS HB2 1 105 LEU H 4.500 . 4.500 3.881 2.757 4.575 0.075 17 0 "[ . 1 . 2]" 1
1385 1 104 LYS QB 1 105 LEU H 4.500 . 4.500 2.918 1.964 3.996 . 0 0 "[ . 1 . 2]" 1
1386 1 103 ASN HA 1 104 LYS H 4.500 . 4.500 2.477 2.160 3.572 . 0 0 "[ . 1 . 2]" 1
1387 1 104 LYS H 1 104 LYS QB 3.500 . 3.500 2.266 2.060 2.639 . 0 0 "[ . 1 . 2]" 1
1388 1 105 LEU HA 1 105 LEU HG 4.500 . 4.500 3.092 2.414 3.687 . 0 0 "[ . 1 . 2]" 1
1389 1 105 LEU HA 1 106 GLN H 5.500 . 5.500 2.165 2.131 2.193 . 0 0 "[ . 1 . 2]" 1
1390 1 105 LEU HB3 1 106 GLN HB3 6.500 . 6.500 6.026 5.700 6.491 . 0 0 "[ . 1 . 2]" 1
1391 1 105 LEU HB2 1 106 GLN HB3 6.500 . 6.500 5.888 5.611 6.345 . 0 0 "[ . 1 . 2]" 1
1392 1 105 LEU QB 1 106 GLN HA 4.500 . 4.500 4.053 3.985 4.275 . 0 0 "[ . 1 . 2]" 1
1393 1 105 LEU QB 1 115 ASP HA 6.000 . 6.000 5.458 5.141 6.021 0.021 20 0 "[ . 1 . 2]" 1
1394 1 104 LYS HD3 1 105 LEU HG 5.500 . 5.500 4.970 3.202 5.514 0.014 12 0 "[ . 1 . 2]" 1
1395 1 105 LEU HG 1 116 VAL MG1 4.500 . 4.500 4.344 3.879 4.534 0.034 2 0 "[ . 1 . 2]" 1
1396 1 97 LEU HB3 1 105 LEU H 6.500 . 6.500 6.175 5.837 6.523 0.023 12 0 "[ . 1 . 2]" 1
1397 1 97 LEU HB2 1 105 LEU H 6.500 . 6.500 6.511 6.359 6.559 0.059 1 0 "[ . 1 . 2]" 1
1398 1 104 LYS H 1 105 LEU H 5.500 . 5.500 4.519 3.977 4.630 . 0 0 "[ . 1 . 2]" 1
1399 1 105 LEU H 1 105 LEU HG 3.500 . 3.500 2.173 1.836 3.502 0.002 18 0 "[ . 1 . 2]" 1
1400 1 105 LEU H 1 106 GLN H 5.500 . 5.500 4.564 4.491 4.603 . 0 0 "[ . 1 . 2]" 1
1401 1 105 LEU HB3 1 106 GLN HA 5.500 . 5.500 4.672 4.334 5.441 . 0 0 "[ . 1 . 2]" 1
1402 1 105 LEU HB2 1 106 GLN HA 5.500 . 5.500 4.497 4.098 4.936 . 0 0 "[ . 1 . 2]" 1
1403 1 106 GLN HA 1 107 ILE H 3.500 . 3.500 2.246 2.224 2.311 . 0 0 "[ . 1 . 2]" 1
1404 1 106 GLN HA 1 114 CYS H 5.500 . 5.500 5.412 5.129 5.533 0.033 12 0 "[ . 1 . 2]" 1
1405 1 106 GLN HA 1 115 ASP HB3 5.500 . 5.500 5.203 4.808 5.501 0.001 18 0 "[ . 1 . 2]" 1
1406 1 106 GLN HA 1 115 ASP H 5.500 . 5.500 5.557 5.409 5.596 0.096 15 0 "[ . 1 . 2]" 1
1407 1 106 GLN HA 1 116 VAL H 4.500 . 4.500 3.101 2.758 3.494 . 0 0 "[ . 1 . 2]" 1
1408 1 106 GLN HB3 1 115 ASP HA 4.500 . 4.500 4.003 3.571 4.503 0.003 20 0 "[ . 1 . 2]" 1
1409 1 106 GLN HB2 1 115 ASP HA 5.500 . 5.500 4.483 3.719 5.218 . 0 0 "[ . 1 . 2]" 1
1410 1 106 GLN QB 1 107 ILE H 3.500 . 3.500 2.879 2.697 2.958 . 0 0 "[ . 1 . 2]" 1
1411 1 106 GLN QB 1 115 ASP HA 5.500 . 5.500 3.688 3.427 3.978 . 0 0 "[ . 1 . 2]" 1
1412 1 106 GLN QG 1 107 ILE H 5.500 . 5.500 4.252 3.288 4.634 . 0 0 "[ . 1 . 2]" 1
1413 1 105 LEU HG 1 106 GLN H 6.500 . 6.500 4.967 4.141 5.368 . 0 0 "[ . 1 . 2]" 1
1414 1 106 GLN H 1 116 VAL H 5.500 . 5.500 5.165 4.831 5.471 . 0 0 "[ . 1 . 2]" 1
1415 1 107 ILE HA 1 107 ILE MD 3.500 . 3.500 2.445 1.847 3.313 . 0 0 "[ . 1 . 2]" 1
1416 1 107 ILE HA 1 107 ILE MG 3.500 . 3.500 3.188 3.173 3.200 . 0 0 "[ . 1 . 2]" 1
1417 1 107 ILE HA 1 108 GLU H 3.500 . 3.500 2.239 2.212 2.273 . 0 0 "[ . 1 . 2]" 1
1418 1 107 ILE HB 1 107 ILE MD 3.500 . 3.500 2.408 2.037 3.207 . 0 0 "[ . 1 . 2]" 1
1419 1 107 ILE MD 1 107 ILE MG 3.500 . 3.500 2.928 1.768 3.255 0.032 10 0 "[ . 1 . 2]" 1
1420 1 107 ILE MD 1 108 GLU H 3.500 . 3.500 2.635 1.854 3.462 . 0 0 "[ . 1 . 2]" 1
1421 1 107 ILE QG 1 108 GLU H 3.500 . 3.500 2.134 1.846 2.669 . 0 0 "[ . 1 . 2]" 1
1422 1 107 ILE QG 1 109 ILE MG 3.500 . 3.500 2.617 2.093 3.501 0.001 17 0 "[ . 1 . 2]" 1
1423 1 106 GLN HB2 1 107 ILE H 3.500 . 3.500 3.011 2.739 3.466 . 0 0 "[ . 1 . 2]" 1
1424 1 107 ILE H 1 107 ILE QG 4.500 . 4.500 4.216 4.022 4.343 . 0 0 "[ . 1 . 2]" 1
1425 1 107 ILE H 1 108 GLU HB3 6.500 . 6.500 5.987 5.903 6.060 . 0 0 "[ . 1 . 2]" 1
1426 1 107 ILE H 1 108 GLU HB2 6.500 . 6.500 5.929 5.842 6.002 . 0 0 "[ . 1 . 2]" 1
1427 1 107 ILE H 1 113 ILE HA 5.500 . 5.500 4.845 4.705 4.963 . 0 0 "[ . 1 . 2]" 1
1428 1 107 ILE H 1 114 CYS QB 4.500 . 4.500 4.278 4.045 4.583 0.083 4 0 "[ . 1 . 2]" 1
1429 1 107 ILE H 1 114 CYS H 4.500 . 4.500 3.521 3.293 3.634 . 0 0 "[ . 1 . 2]" 1
1430 1 107 ILE H 1 115 ASP HA 4.500 . 4.500 3.482 3.292 3.739 . 0 0 "[ . 1 . 2]" 1
1431 1 107 ILE H 1 115 ASP H 5.500 . 5.500 5.196 5.122 5.295 . 0 0 "[ . 1 . 2]" 1
1432 1 108 GLU HA 1 108 GLU QG 3.500 . 3.500 2.851 2.808 2.886 . 0 0 "[ . 1 . 2]" 1
1433 1 108 GLU HA 1 109 ILE QG 5.500 . 5.500 4.079 3.860 4.271 . 0 0 "[ . 1 . 2]" 1
1434 1 108 GLU HA 1 109 ILE H 3.500 . 3.500 2.204 2.183 2.225 . 0 0 "[ . 1 . 2]" 1
1435 1 108 GLU HA 1 111 GLY H 5.500 . 5.500 5.498 5.453 5.549 0.049 16 0 "[ . 1 . 2]" 1
1436 1 108 GLU HA 1 112 GLN HA 5.500 . 5.500 4.862 4.791 4.950 . 0 0 "[ . 1 . 2]" 1
1437 1 108 GLU HA 1 112 GLN H 5.500 . 5.500 4.000 3.946 4.056 . 0 0 "[ . 1 . 2]" 1
1438 1 108 GLU HA 1 113 ILE HA 3.500 . 3.500 2.003 1.835 2.131 . 0 0 "[ . 1 . 2]" 1
1439 1 108 GLU HA 1 113 ILE QG 5.500 . 5.500 3.818 3.466 4.037 . 0 0 "[ . 1 . 2]" 1
1440 1 108 GLU HA 1 113 ILE MG 4.500 . 4.500 3.485 3.234 3.675 . 0 0 "[ . 1 . 2]" 1
1441 1 108 GLU HA 1 113 ILE H 4.500 . 4.500 4.283 4.119 4.410 . 0 0 "[ . 1 . 2]" 1
1442 1 108 GLU HA 1 114 CYS HA 5.500 . 5.500 5.343 5.153 5.492 . 0 0 "[ . 1 . 2]" 1
1443 1 108 GLU HA 1 114 CYS H 4.500 . 4.500 2.562 2.402 2.712 . 0 0 "[ . 1 . 2]" 1
1444 1 108 GLU HB3 1 113 ILE MG 4.500 . 4.500 4.383 4.078 4.522 0.022 17 0 "[ . 1 . 2]" 1
1445 1 108 GLU HB2 1 113 ILE MG 4.500 . 4.500 3.377 3.029 3.581 . 0 0 "[ . 1 . 2]" 1
1446 1 108 GLU QG 1 109 ILE H 3.500 . 3.500 3.187 3.052 3.314 . 0 0 "[ . 1 . 2]" 1
1447 1 108 GLU QG 1 111 GLY HA3 5.500 . 5.500 3.911 3.847 3.984 . 0 0 "[ . 1 . 2]" 1
1448 1 108 GLU QG 1 111 GLY HA2 5.500 . 5.500 2.596 2.540 2.644 . 0 0 "[ . 1 . 2]" 1
1449 1 108 GLU QG 1 111 GLY QA 4.500 . 4.500 2.561 2.506 2.607 . 0 0 "[ . 1 . 2]" 1
1450 1 108 GLU QG 1 111 GLY H 3.500 . 3.500 2.844 2.814 2.868 . 0 0 "[ . 1 . 2]" 1
1451 1 108 GLU QG 1 113 ILE HA 4.500 . 4.500 3.864 3.608 4.004 . 0 0 "[ . 1 . 2]" 1
1452 1 108 GLU QG 1 113 ILE QG 4.500 . 4.500 3.960 3.587 4.181 . 0 0 "[ . 1 . 2]" 1
1453 1 108 GLU H 1 108 GLU QB 3.500 . 3.500 2.260 2.237 2.286 . 0 0 "[ . 1 . 2]" 1
1454 1 108 GLU H 1 108 GLU HG3 4.500 . 4.500 4.450 4.291 4.571 0.071 20 0 "[ . 1 . 2]" 1
1455 1 108 GLU H 1 108 GLU HG2 4.500 . 4.500 3.835 3.770 4.013 . 0 0 "[ . 1 . 2]" 1
1456 1 108 GLU H 1 109 ILE H 4.500 . 4.500 4.336 4.303 4.393 . 0 0 "[ . 1 . 2]" 1
1457 1 108 GLU H 1 113 ILE HA 5.500 . 5.500 4.444 4.155 4.622 . 0 0 "[ . 1 . 2]" 1
1458 1 109 ILE HA 1 109 ILE MD 4.500 . 4.500 3.926 3.751 3.992 . 0 0 "[ . 1 . 2]" 1
1459 1 109 ILE HA 1 109 ILE MG 3.500 . 3.500 2.342 2.252 2.413 . 0 0 "[ . 1 . 2]" 1
1460 1 109 ILE HA 1 110 ARG H 3.500 . 3.500 2.113 2.091 2.131 . 0 0 "[ . 1 . 2]" 1
1461 1 109 ILE HB 1 110 ARG H 4.500 . 4.500 3.170 3.151 3.228 . 0 0 "[ . 1 . 2]" 1
1462 1 27 PRO HB3 1 109 ILE MD 5.500 . 5.500 4.022 3.505 4.705 . 0 0 "[ . 1 . 2]" 1
1463 1 34 GLU HB2 1 109 ILE MD 3.500 . 3.500 2.252 1.828 2.671 . 0 0 "[ . 1 . 2]" 1
1464 1 109 ILE H 1 109 ILE MD 5.500 . 5.500 3.902 3.745 4.050 . 0 0 "[ . 1 . 2]" 1
1465 1 109 ILE MD 1 110 ARG QD 4.500 . 4.500 4.290 3.872 4.524 0.024 8 0 "[ . 1 . 2]" 1
1466 1 109 ILE MD 1 110 ARG H 4.500 . 4.500 4.093 3.801 4.242 . 0 0 "[ . 1 . 2]" 1
1467 1 109 ILE MD 1 111 GLY H 5.500 . 5.500 5.501 5.219 5.589 0.089 18 0 "[ . 1 . 2]" 1
1468 1 35 VAL MG1 1 109 ILE HG13 5.500 . 5.500 5.017 4.695 5.294 . 0 0 "[ . 1 . 2]" 1
1469 1 35 VAL MG2 1 109 ILE HG13 4.500 . 4.500 4.465 4.345 4.565 0.065 20 0 "[ . 1 . 2]" 1
1470 1 109 ILE H 1 109 ILE HG13 4.500 . 4.500 2.362 2.117 2.607 . 0 0 "[ . 1 . 2]" 1
1471 1 35 VAL MG1 1 109 ILE HG12 5.500 . 5.500 3.769 3.290 4.056 . 0 0 "[ . 1 . 2]" 1
1472 1 35 VAL MG2 1 109 ILE HG12 4.500 . 4.500 3.886 3.512 4.123 . 0 0 "[ . 1 . 2]" 1
1473 1 109 ILE H 1 109 ILE HG12 4.500 . 4.500 2.824 2.664 3.096 . 0 0 "[ . 1 . 2]" 1
1474 1 108 GLU HA 1 109 ILE MG 4.500 . 4.500 3.700 3.518 3.895 . 0 0 "[ . 1 . 2]" 1
1475 1 109 ILE MG 1 110 ARG HB2 5.500 . 5.500 5.319 5.177 5.487 . 0 0 "[ . 1 . 2]" 1
1476 1 107 ILE HA 1 109 ILE H 6.500 . 6.500 5.833 5.763 5.948 . 0 0 "[ . 1 . 2]" 1
1477 1 109 ILE H 1 109 ILE MG 3.500 . 3.500 2.618 2.451 2.798 . 0 0 "[ . 1 . 2]" 1
1478 1 109 ILE H 1 110 ARG HB3 5.500 . 5.500 5.134 5.065 5.206 . 0 0 "[ . 1 . 2]" 1
1479 1 109 ILE H 1 112 GLN HA 5.500 . 5.500 4.879 4.797 4.935 . 0 0 "[ . 1 . 2]" 1
1480 1 109 ILE H 1 113 ILE HA 3.500 . 3.500 3.571 3.525 3.607 0.107 1 0 "[ . 1 . 2]" 1
1481 1 109 ILE H 1 114 CYS HB3 6.500 . 6.500 5.165 4.413 5.433 . 0 0 "[ . 1 . 2]" 1
1482 1 109 ILE HA 1 110 ARG HA 6.500 . 6.500 4.346 4.326 4.357 . 0 0 "[ . 1 . 2]" 1
1483 1 110 ARG HA 1 110 ARG HD3 5.500 . 5.500 3.981 3.721 4.224 . 0 0 "[ . 1 . 2]" 1
1484 1 110 ARG HA 1 110 ARG HD2 5.500 . 5.500 4.698 3.920 4.943 . 0 0 "[ . 1 . 2]" 1
1485 1 110 ARG HA 1 110 ARG HG3 3.500 . 3.500 3.435 3.389 3.474 . 0 0 "[ . 1 . 2]" 1
1486 1 110 ARG HA 1 110 ARG HG2 3.500 . 3.500 2.346 2.270 2.582 . 0 0 "[ . 1 . 2]" 1
1487 1 110 ARG HA 1 110 ARG QG 3.500 . 3.500 2.308 2.242 2.510 . 0 0 "[ . 1 . 2]" 1
1488 1 110 ARG HA 1 111 GLY HA2 5.500 . 5.500 4.723 4.685 4.741 . 0 0 "[ . 1 . 2]" 1
1489 1 109 ILE MD 1 110 ARG HB3 5.500 . 5.500 3.085 2.660 3.308 . 0 0 "[ . 1 . 2]" 1
1490 1 110 ARG HB3 1 110 ARG QD 3.500 . 3.500 1.979 1.945 2.020 . 0 0 "[ . 1 . 2]" 1
1491 1 110 ARG HB3 1 111 GLY QA 5.500 . 5.500 4.782 4.717 4.915 . 0 0 "[ . 1 . 2]" 1
1492 1 110 ARG HB3 1 111 GLY H 4.500 . 4.500 4.170 4.142 4.201 . 0 0 "[ . 1 . 2]" 1
1493 1 110 ARG HB3 1 112 GLN H 4.500 . 4.500 3.806 3.713 3.951 . 0 0 "[ . 1 . 2]" 1
1494 1 110 ARG QD 1 111 GLY QA 5.500 . 5.500 4.373 3.921 4.611 . 0 0 "[ . 1 . 2]" 1
1495 1 110 ARG QD 1 111 GLY H 5.500 . 5.500 4.789 4.513 4.921 . 0 0 "[ . 1 . 2]" 1
1496 1 110 ARG QD 1 112 GLN HA 5.500 . 5.500 5.503 5.361 5.534 0.034 14 0 "[ . 1 . 2]" 1
1497 1 110 ARG QD 1 112 GLN QG 5.500 . 5.500 2.581 2.093 3.941 . 0 0 "[ . 1 . 2]" 1
1498 1 110 ARG QD 1 112 GLN H 4.500 . 4.500 4.299 4.113 4.421 . 0 0 "[ . 1 . 2]" 1
1499 1 110 ARG QG 1 111 GLY H 5.500 . 5.500 4.410 4.242 4.511 . 0 0 "[ . 1 . 2]" 1
1500 1 34 GLU HB2 1 110 ARG H 5.500 . 5.500 4.625 4.388 4.842 . 0 0 "[ . 1 . 2]" 1
1501 1 109 ILE H 1 110 ARG H 5.500 . 5.500 4.387 4.374 4.396 . 0 0 "[ . 1 . 2]" 1
1502 1 110 ARG H 1 110 ARG HB2 3.500 . 3.500 3.150 3.099 3.263 . 0 0 "[ . 1 . 2]" 1
1503 1 110 ARG H 1 111 GLY H 4.500 . 4.500 2.556 2.506 2.623 . 0 0 "[ . 1 . 2]" 1
1504 1 110 ARG H 1 112 GLN H 5.500 . 5.500 4.031 4.006 4.073 . 0 0 "[ . 1 . 2]" 1
1505 1 111 GLY HA2 1 112 GLN H 3.500 . 3.500 3.166 3.141 3.214 . 0 0 "[ . 1 . 2]" 1
1506 1 111 GLY QA 1 112 GLN HA 5.500 . 5.500 3.990 3.971 4.001 . 0 0 "[ . 1 . 2]" 1
1507 1 111 GLY QA 1 112 GLN QB 5.500 . 5.500 4.539 4.103 4.728 . 0 0 "[ . 1 . 2]" 1
1508 1 111 GLY QA 1 112 GLN QG 5.500 . 5.500 3.809 3.317 5.164 . 0 0 "[ . 1 . 2]" 1
1509 1 111 GLY QA 1 112 GLN H 3.500 . 3.500 2.950 2.936 2.981 . 0 0 "[ . 1 . 2]" 1
1510 1 108 GLU HB3 1 111 GLY H 5.500 . 5.500 5.543 5.493 5.573 0.073 10 0 "[ . 1 . 2]" 1
1511 1 108 GLU HB2 1 111 GLY H 5.500 . 5.500 5.598 5.563 5.642 0.142 2 0 "[ . 1 . 2]" 1
1512 1 109 ILE H 1 111 GLY H 4.500 . 4.500 4.574 4.538 4.611 0.111 14 0 "[ . 1 . 2]" 1
1513 1 110 ARG HA 1 111 GLY H 3.500 . 3.500 2.764 2.726 2.788 . 0 0 "[ . 1 . 2]" 1
1514 1 110 ARG HB2 1 111 GLY H 4.500 . 4.500 4.548 4.532 4.567 0.067 12 0 "[ . 1 . 2]" 1
1515 1 111 GLY H 1 112 GLN HA 5.500 . 5.500 5.293 5.260 5.322 . 0 0 "[ . 1 . 2]" 1
1516 1 111 GLY H 1 112 GLN HG3 6.500 . 6.500 5.294 4.872 6.039 . 0 0 "[ . 1 . 2]" 1
1517 1 111 GLY H 1 112 GLN HG2 6.500 . 6.500 5.065 4.449 5.808 . 0 0 "[ . 1 . 2]" 1
1518 1 112 GLN HA 1 112 GLN QG 3.500 . 3.500 2.771 2.391 3.362 . 0 0 "[ . 1 . 2]" 1
1519 1 112 GLN HA 1 113 ILE HA 5.500 . 5.500 4.334 4.320 4.348 . 0 0 "[ . 1 . 2]" 1
1520 1 112 GLN HA 1 113 ILE H 3.500 . 3.500 2.284 2.225 2.321 . 0 0 "[ . 1 . 2]" 1
1521 1 109 ILE MD 1 112 GLN HB2 5.500 . 5.500 4.452 3.693 5.551 0.051 14 0 "[ . 1 . 2]" 1
1522 1 112 GLN QB 1 113 ILE H 3.500 . 3.500 2.815 2.695 3.129 . 0 0 "[ . 1 . 2]" 1
1523 1 112 GLN QG 1 113 ILE H 4.500 . 4.500 4.158 3.221 4.496 . 0 0 "[ . 1 . 2]" 1
1524 1 109 ILE HB 1 112 GLN H 5.500 . 5.500 5.200 5.123 5.275 . 0 0 "[ . 1 . 2]" 1
1525 1 109 ILE H 1 112 GLN H 4.500 . 4.500 3.057 2.975 3.115 . 0 0 "[ . 1 . 2]" 1
1526 1 110 ARG HA 1 112 GLN H 6.500 . 6.500 4.501 4.471 4.563 . 0 0 "[ . 1 . 2]" 1
1527 1 111 GLY HA3 1 112 GLN H 3.500 . 3.500 3.521 3.504 3.542 0.042 5 0 "[ . 1 . 2]" 1
1528 1 111 GLY H 1 112 GLN H 3.500 . 3.500 2.758 2.738 2.795 . 0 0 "[ . 1 . 2]" 1
1529 1 112 GLN H 1 112 GLN QB 3.500 . 3.500 2.736 2.608 2.930 . 0 0 "[ . 1 . 2]" 1
1530 1 112 GLN H 1 112 GLN HG3 3.500 . 3.500 3.293 2.430 3.538 0.038 5 0 "[ . 1 . 2]" 1
1531 1 112 GLN H 1 112 GLN HG2 3.500 . 3.500 3.157 2.712 3.503 0.003 12 0 "[ . 1 . 2]" 1
1532 1 112 GLN H 1 113 ILE H 4.500 . 4.500 4.350 4.315 4.371 . 0 0 "[ . 1 . 2]" 1
1533 1 113 ILE HA 1 113 ILE MG 3.500 . 3.500 2.214 1.998 2.433 . 0 0 "[ . 1 . 2]" 1
1534 1 113 ILE HA 1 114 CYS HA 5.500 . 5.500 4.381 4.367 4.391 . 0 0 "[ . 1 . 2]" 1
1535 1 113 ILE HA 1 114 CYS H 3.500 . 3.500 2.108 2.092 2.122 . 0 0 "[ . 1 . 2]" 1
1536 1 113 ILE HB 1 114 CYS H 4.500 . 4.500 4.100 3.942 4.213 . 0 0 "[ . 1 . 2]" 1
1537 1 113 ILE QG 1 114 CYS H 4.500 . 4.500 4.364 3.978 4.516 0.016 16 0 "[ . 1 . 2]" 1
1538 1 113 ILE MG 1 114 CYS HA 4.500 . 4.500 3.900 3.404 4.269 . 0 0 "[ . 1 . 2]" 1
1539 1 113 ILE MG 1 114 CYS QB 5.500 . 5.500 4.665 4.487 4.824 . 0 0 "[ . 1 . 2]" 1
1540 1 113 ILE MG 1 114 CYS H 3.500 . 3.500 2.762 2.523 2.948 . 0 0 "[ . 1 . 2]" 1
1541 1 113 ILE MG 1 115 ASP HA 5.500 . 5.500 4.731 4.412 4.958 . 0 0 "[ . 1 . 2]" 1
1542 1 109 ILE HG13 1 113 ILE H 6.500 . 6.500 5.882 5.667 6.071 . 0 0 "[ . 1 . 2]" 1
1543 1 109 ILE HG12 1 113 ILE H 6.500 . 6.500 6.640 6.589 6.701 0.201 18 0 "[ . 1 . 2]" 1
1544 1 112 GLN HG3 1 113 ILE H 5.500 . 5.500 4.888 3.280 5.380 . 0 0 "[ . 1 . 2]" 1
1545 1 112 GLN HG2 1 113 ILE H 5.500 . 5.500 4.701 4.402 5.178 . 0 0 "[ . 1 . 2]" 1
1546 1 113 ILE H 1 113 ILE HB 3.500 . 3.500 2.750 2.474 2.953 . 0 0 "[ . 1 . 2]" 1
1547 1 113 ILE H 1 113 ILE QG 3.500 . 3.500 2.083 1.817 2.475 . 0 0 "[ . 1 . 2]" 1
1548 1 113 ILE H 1 113 ILE MG 4.500 . 4.500 3.789 3.736 3.815 . 0 0 "[ . 1 . 2]" 1
1549 1 113 ILE H 1 114 CYS H 5.500 . 5.500 4.443 4.407 4.510 . 0 0 "[ . 1 . 2]" 1
1550 1 114 CYS HA 1 115 ASP H 3.500 . 3.500 2.297 2.250 2.335 . 0 0 "[ . 1 . 2]" 1
1551 1 114 CYS QB 1 115 ASP H 4.500 . 4.500 2.713 2.605 2.832 . 0 0 "[ . 1 . 2]" 1
1552 1 108 GLU HG3 1 114 CYS H 5.500 . 5.500 5.341 5.201 5.472 . 0 0 "[ . 1 . 2]" 1
1553 1 114 CYS H 1 114 CYS QB 3.500 . 3.500 2.714 2.561 3.192 . 0 0 "[ . 1 . 2]" 1
1554 1 114 CYS H 1 115 ASP H 5.500 . 5.500 4.460 4.437 4.473 . 0 0 "[ . 1 . 2]" 1
1555 1 24 ILE MD 1 115 ASP HA 4.500 . 4.500 4.425 4.103 4.522 0.022 15 0 "[ . 1 . 2]" 1
1556 1 106 GLN HA 1 115 ASP HA 5.500 . 5.500 2.866 2.767 2.990 . 0 0 "[ . 1 . 2]" 1
1557 1 115 ASP HA 1 116 VAL H 3.500 . 3.500 2.228 2.193 2.291 . 0 0 "[ . 1 . 2]" 1
1558 1 115 ASP HB3 1 116 VAL QG 5.500 . 5.500 4.598 4.366 4.786 . 0 0 "[ . 1 . 2]" 1
1559 1 115 ASP HB3 1 116 VAL H 4.500 . 4.500 3.162 2.833 3.424 . 0 0 "[ . 1 . 2]" 1
1560 1 115 ASP HB3 1 117 ILE HG13 4.500 . 4.500 4.154 3.821 4.476 . 0 0 "[ . 1 . 2]" 1
1561 1 115 ASP HB2 1 116 VAL H 5.500 . 5.500 4.277 4.086 4.397 . 0 0 "[ . 1 . 2]" 1
1562 1 23 ILE HA 1 115 ASP H 5.500 . 5.500 5.206 5.045 5.306 . 0 0 "[ . 1 . 2]" 1
1563 1 23 ILE MD 1 115 ASP H 3.500 . 3.500 3.392 3.223 3.508 0.008 20 0 "[ . 1 . 2]" 1
1564 1 24 ILE HB 1 115 ASP H 5.500 . 5.500 4.798 4.565 4.935 . 0 0 "[ . 1 . 2]" 1
1565 1 25 ASN H 1 115 ASP H 6.500 . 6.500 4.526 4.425 4.617 . 0 0 "[ . 1 . 2]" 1
1566 1 115 ASP H 1 115 ASP HB3 3.500 . 3.500 3.417 3.223 3.585 0.085 3 0 "[ . 1 . 2]" 1
1567 1 115 ASP H 1 115 ASP HB2 3.500 . 3.500 2.248 2.193 2.343 . 0 0 "[ . 1 . 2]" 1
1568 1 116 VAL HA 1 117 ILE HA 4.500 . 4.500 4.425 4.412 4.437 . 0 0 "[ . 1 . 2]" 1
1569 1 116 VAL HA 1 117 ILE H 3.500 . 3.500 2.196 2.168 2.225 . 0 0 "[ . 1 . 2]" 1
1570 1 23 ILE MD 1 116 VAL HB 3.500 . 3.500 2.136 1.771 3.598 0.098 11 0 "[ . 1 . 2]" 1
1571 1 116 VAL HB 1 117 ILE H 4.500 . 4.500 3.993 3.668 4.300 . 0 0 "[ . 1 . 2]" 1
1572 1 24 ILE H 1 116 VAL MG1 5.500 . 5.500 5.419 4.711 5.577 0.077 4 0 "[ . 1 . 2]" 1
1573 1 24 ILE H 1 116 VAL MG2 5.500 . 5.500 4.930 4.401 5.378 . 0 0 "[ . 1 . 2]" 1
1574 1 116 VAL QG 1 117 ILE H 3.500 . 3.500 2.172 1.917 2.440 . 0 0 "[ . 1 . 2]" 1
1575 1 116 VAL QG 1 118 SER HA 5.500 . 5.500 3.792 3.662 4.348 . 0 0 "[ . 1 . 2]" 1
1576 1 116 VAL QG 1 118 SER H 4.500 . 4.500 3.737 3.602 4.545 0.045 9 0 "[ . 1 . 2]" 1
1577 1 116 VAL H 1 116 VAL HB 3.500 . 3.500 3.196 2.512 3.447 . 0 0 "[ . 1 . 2]" 1
1578 1 116 VAL H 1 117 ILE H 6.500 . 6.500 4.383 4.359 4.396 . 0 0 "[ . 1 . 2]" 1
1579 1 117 ILE HA 1 117 ILE MD 4.500 . 4.500 3.803 3.418 4.008 . 0 0 "[ . 1 . 2]" 1
1580 1 117 ILE HA 1 117 ILE MG 3.500 . 3.500 2.257 2.117 2.378 . 0 0 "[ . 1 . 2]" 1
1581 1 117 ILE HA 1 118 SER H 3.500 . 3.500 2.158 2.148 2.177 . 0 0 "[ . 1 . 2]" 1
1582 1 116 VAL HA 1 117 ILE MD 4.500 . 4.500 3.568 2.631 4.489 . 0 0 "[ . 1 . 2]" 1
1583 1 22 LYS H 1 117 ILE HG12 6.500 . 6.500 5.839 5.709 6.015 . 0 0 "[ . 1 . 2]" 1
1584 1 115 ASP HB3 1 117 ILE HG12 5.500 . 5.500 5.147 4.483 5.502 0.002 17 0 "[ . 1 . 2]" 1
1585 1 117 ILE QG 1 118 SER H 5.500 . 5.500 4.384 4.277 4.489 . 0 0 "[ . 1 . 2]" 1
1586 1 117 ILE MG 1 118 SER H 3.500 . 3.500 2.684 2.492 2.898 . 0 0 "[ . 1 . 2]" 1
1587 1 22 LYS HB3 1 117 ILE H 6.500 . 6.500 4.355 4.094 4.739 . 0 0 "[ . 1 . 2]" 1
1588 1 22 LYS HB2 1 117 ILE H 6.500 . 6.500 5.636 5.244 5.840 . 0 0 "[ . 1 . 2]" 1
1589 1 22 LYS H 1 117 ILE H 3.500 . 3.500 3.421 3.217 3.537 0.037 9 0 "[ . 1 . 2]" 1
1590 1 117 ILE H 1 117 ILE HG12 4.500 . 4.500 4.148 3.724 4.335 . 0 0 "[ . 1 . 2]" 1
1591 1 21 ILE MG 1 118 SER HA 3.500 . 3.500 2.473 2.188 2.586 . 0 0 "[ . 1 . 2]" 1
1592 1 21 ILE MG 1 118 SER HB3 3.500 . 3.500 3.536 3.399 3.581 0.081 6 0 "[ . 1 . 2]" 1
1593 1 21 ILE MG 1 118 SER HB2 3.500 . 3.500 3.522 2.955 3.584 0.084 3 0 "[ . 1 . 2]" 1
1594 1 117 ILE HB 1 118 SER H 4.500 . 4.500 4.135 4.030 4.230 . 0 0 "[ . 1 . 2]" 1
1595 1 117 ILE HG13 1 118 SER H 6.500 . 6.500 4.764 4.502 5.089 . 0 0 "[ . 1 . 2]" 1
1596 1 117 ILE H 1 118 SER H 6.500 . 6.500 4.260 4.233 4.295 . 0 0 "[ . 1 . 2]" 1
1597 1 119 THR HA 1 119 THR MG 3.500 . 3.500 2.318 1.913 3.204 . 0 0 "[ . 1 . 2]" 1
1598 1 119 THR HA 1 120 ILE HB 5.500 . 5.500 4.469 4.410 4.528 . 0 0 "[ . 1 . 2]" 1
1599 1 119 THR HA 1 120 ILE HG12 5.500 . 5.500 4.413 4.295 4.576 . 0 0 "[ . 1 . 2]" 1
1600 1 119 THR HB 1 120 ILE H 4.500 . 4.500 4.079 3.641 4.404 . 0 0 "[ . 1 . 2]" 1
1601 1 118 SER HB2 1 119 THR H 5.500 . 5.500 4.410 4.338 4.520 . 0 0 "[ . 1 . 2]" 1
1602 1 119 THR H 1 119 THR HB 3.500 . 3.500 2.968 2.568 3.485 . 0 0 "[ . 1 . 2]" 1
1603 1 119 THR H 1 119 THR MG 4.500 . 4.500 3.597 2.136 3.914 . 0 0 "[ . 1 . 2]" 1
1604 1 119 THR H 1 120 ILE MD 6.500 . 6.500 4.906 4.356 5.359 . 0 0 "[ . 1 . 2]" 1
1605 1 119 THR H 1 120 ILE H 4.500 . 4.500 4.258 4.234 4.275 . 0 0 "[ . 1 . 2]" 1
1606 1 120 ILE HA 1 121 PRO QD 3.500 . 3.500 1.875 1.804 2.021 . 0 0 "[ . 1 . 2]" 1
1607 1 20 LEU MD2 1 120 ILE HB 4.500 . 4.500 4.598 4.538 4.651 0.151 5 0 "[ . 1 . 2]" 1
1608 1 120 ILE HB 1 121 PRO QD 4.500 . 4.500 4.357 4.301 4.428 . 0 0 "[ . 1 . 2]" 1
1609 1 120 ILE HB 1 125 GLU HA 5.500 . 5.500 4.794 4.685 4.936 . 0 0 "[ . 1 . 2]" 1
1610 1 120 ILE MD 1 121 PRO QD 5.500 . 5.500 2.708 2.347 3.044 . 0 0 "[ . 1 . 2]" 1
1611 1 120 ILE MD 1 125 GLU H 5.500 . 5.500 4.373 4.096 4.608 . 0 0 "[ . 1 . 2]" 1
1612 1 120 ILE QG 1 121 PRO QD 5.500 . 5.500 3.934 3.786 4.067 . 0 0 "[ . 1 . 2]" 1
1613 1 120 ILE QG 1 125 GLU HA 5.500 . 5.500 4.901 4.699 5.034 . 0 0 "[ . 1 . 2]" 1
1614 1 120 ILE QG 1 125 GLU H 5.500 . 5.500 5.495 5.402 5.541 0.041 18 0 "[ . 1 . 2]" 1
1615 1 120 ILE MG 1 121 PRO QB 5.500 . 5.500 4.299 4.115 4.450 . 0 0 "[ . 1 . 2]" 1
1616 1 120 ILE MG 1 121 PRO QD 4.500 . 4.500 2.912 2.712 3.183 . 0 0 "[ . 1 . 2]" 1
1617 1 120 ILE MG 1 122 GLU HA 4.500 . 4.500 4.404 4.308 4.500 0.000 17 0 "[ . 1 . 2]" 1
1618 1 120 ILE MG 1 124 GLU HA 4.500 . 4.500 3.981 3.908 4.043 . 0 0 "[ . 1 . 2]" 1
1619 1 120 ILE MG 1 124 GLU QB 3.500 . 3.500 1.809 1.775 1.894 0.025 2 0 "[ . 1 . 2]" 1
1620 1 120 ILE MG 1 124 GLU QG 4.500 . 4.500 3.526 3.423 3.658 . 0 0 "[ . 1 . 2]" 1
1621 1 120 ILE MG 1 124 GLU H 3.500 . 3.500 3.523 3.436 3.571 0.071 11 0 "[ . 1 . 2]" 1
1622 1 120 ILE MG 1 125 GLU HA 4.500 . 4.500 2.466 2.336 2.596 . 0 0 "[ . 1 . 2]" 1
1623 1 120 ILE MG 1 125 GLU QB 4.500 . 4.500 2.219 2.044 2.377 . 0 0 "[ . 1 . 2]" 1
1624 1 120 ILE MG 1 125 GLU H 3.500 . 3.500 2.438 2.355 2.492 . 0 0 "[ . 1 . 2]" 1
1625 1 119 THR HA 1 120 ILE H 3.500 . 3.500 2.117 2.100 2.128 . 0 0 "[ . 1 . 2]" 1
1626 1 120 ILE H 1 120 ILE HB 3.500 . 3.500 2.644 2.589 2.674 . 0 0 "[ . 1 . 2]" 1
1627 1 120 ILE H 1 120 ILE MD 4.500 . 4.500 4.242 3.971 4.403 . 0 0 "[ . 1 . 2]" 1
1628 1 120 ILE H 1 120 ILE QG 3.500 . 3.500 3.325 3.250 3.396 . 0 0 "[ . 1 . 2]" 1
1629 1 120 ILE H 1 120 ILE MG 4.500 . 4.500 3.752 3.695 3.798 . 0 0 "[ . 1 . 2]" 1
1630 1 121 PRO HA 1 122 GLU HA 4.500 . 4.500 4.302 4.296 4.311 . 0 0 "[ . 1 . 2]" 1
1631 1 121 PRO HA 1 122 GLU QG 6.500 . 6.500 5.827 5.804 5.839 . 0 0 "[ . 1 . 2]" 1
1632 1 121 PRO HA 1 122 GLU H 3.500 . 3.500 2.356 2.343 2.365 . 0 0 "[ . 1 . 2]" 1
1633 1 121 PRO QB 1 122 GLU H 3.500 . 3.500 2.610 2.555 2.680 . 0 0 "[ . 1 . 2]" 1
1634 1 122 GLU HA 1 122 GLU HG3 3.500 . 3.500 2.671 2.615 2.736 . 0 0 "[ . 1 . 2]" 1
1635 1 122 GLU HA 1 122 GLU HG2 3.500 . 3.500 3.571 3.546 3.593 0.093 1 0 "[ . 1 . 2]" 1
1636 1 122 GLU HA 1 125 GLU HA 5.500 . 5.500 5.070 4.986 5.168 . 0 0 "[ . 1 . 2]" 1
1637 1 122 GLU HA 1 125 GLU QB 4.500 . 4.500 2.195 2.081 2.290 . 0 0 "[ . 1 . 2]" 1
1638 1 122 GLU HA 1 125 GLU QG 4.500 . 4.500 4.165 3.960 4.292 . 0 0 "[ . 1 . 2]" 1
1639 1 122 GLU HA 1 125 GLU H 3.500 . 3.500 3.265 3.190 3.328 . 0 0 "[ . 1 . 2]" 1
1640 1 122 GLU HB3 1 125 GLU HB3 5.500 . 5.500 5.138 5.017 5.229 . 0 0 "[ . 1 . 2]" 1
1641 1 121 PRO HA 1 122 GLU HG3 6.500 . 6.500 6.558 6.534 6.589 0.089 4 0 "[ . 1 . 2]" 1
1642 1 122 GLU HG3 1 126 LYS HG2 4.500 . 4.500 2.995 2.901 3.149 . 0 0 "[ . 1 . 2]" 1
1643 1 121 PRO HA 1 122 GLU HG2 6.500 . 6.500 6.524 6.460 6.574 0.074 9 0 "[ . 1 . 2]" 1
1644 1 122 GLU HG2 1 126 LYS HG3 4.500 . 4.500 4.297 4.189 4.371 . 0 0 "[ . 1 . 2]" 1
1645 1 122 GLU HG2 1 126 LYS HG2 4.500 . 4.500 2.983 2.860 3.077 . 0 0 "[ . 1 . 2]" 1
1646 1 122 GLU QG 1 126 LYS QG 5.500 . 5.500 2.602 2.530 2.670 . 0 0 "[ . 1 . 2]" 1
1647 1 122 GLU H 1 122 GLU QB 3.500 . 3.500 2.199 2.175 2.221 . 0 0 "[ . 1 . 2]" 1
1648 1 122 GLU H 1 122 GLU HG3 4.500 . 4.500 4.454 4.436 4.467 . 0 0 "[ . 1 . 2]" 1
1649 1 122 GLU H 1 122 GLU HG2 4.500 . 4.500 4.263 4.205 4.302 . 0 0 "[ . 1 . 2]" 1
1650 1 122 GLU H 1 122 GLU QG 4.500 . 4.500 3.876 3.846 3.893 . 0 0 "[ . 1 . 2]" 1
1651 1 122 GLU H 1 123 ASP HA 6.500 . 6.500 5.380 5.355 5.401 . 0 0 "[ . 1 . 2]" 1
1652 1 122 GLU H 1 124 GLU H 5.500 . 5.500 4.271 4.229 4.308 . 0 0 "[ . 1 . 2]" 1
1653 1 122 GLU H 1 125 GLU H 5.500 . 5.500 4.577 4.516 4.649 . 0 0 "[ . 1 . 2]" 1
1654 1 123 ASP HA 1 125 GLU H 5.500 . 5.500 4.745 4.669 4.787 . 0 0 "[ . 1 . 2]" 1
1655 1 123 ASP HB3 1 127 ASN HD22 6.500 . 6.500 6.069 5.699 6.360 . 0 0 "[ . 1 . 2]" 1
1656 1 123 ASP QB 1 124 GLU H 4.500 . 4.500 2.560 2.472 2.641 . 0 0 "[ . 1 . 2]" 1
1657 1 121 PRO HB2 1 123 ASP H 6.500 . 6.500 2.839 2.681 3.054 . 0 0 "[ . 1 . 2]" 1
1658 1 122 GLU HG3 1 123 ASP H 4.500 . 4.500 3.881 3.808 3.943 . 0 0 "[ . 1 . 2]" 1
1659 1 122 GLU HG2 1 123 ASP H 4.500 . 4.500 2.947 2.794 3.088 . 0 0 "[ . 1 . 2]" 1
1660 1 123 ASP H 1 123 ASP HB3 3.500 . 3.500 3.194 3.022 3.448 . 0 0 "[ . 1 . 2]" 1
1661 1 123 ASP H 1 123 ASP QB 3.500 . 3.500 2.100 2.073 2.133 . 0 0 "[ . 1 . 2]" 1
1662 1 123 ASP H 1 124 GLU H 3.500 . 3.500 2.936 2.919 2.955 . 0 0 "[ . 1 . 2]" 1
1663 1 123 ASP H 1 125 GLU H 4.500 . 4.500 4.282 4.219 4.345 . 0 0 "[ . 1 . 2]" 1
1664 1 123 ASP H 1 126 LYS HE3 6.500 . 6.500 5.490 5.016 5.844 . 0 0 "[ . 1 . 2]" 1
1665 1 123 ASP H 1 126 LYS HE2 6.500 . 6.500 5.181 4.716 5.932 . 0 0 "[ . 1 . 2]" 1
1666 1 123 ASP H 1 126 LYS QG 5.500 . 5.500 3.772 3.702 3.845 . 0 0 "[ . 1 . 2]" 1
1667 1 124 GLU HA 1 125 GLU HA 5.500 . 5.500 4.815 4.802 4.831 . 0 0 "[ . 1 . 2]" 1
1668 1 124 GLU HA 1 126 LYS QE 5.500 . 5.500 5.578 5.562 5.604 0.104 16 0 "[ . 1 . 2]" 1
1669 1 124 GLU HA 1 127 ASN HB3 4.500 . 4.500 3.334 3.260 3.386 . 0 0 "[ . 1 . 2]" 1
1670 1 124 GLU HA 1 128 TYR HB3 5.500 . 5.500 5.344 5.068 5.458 . 0 0 "[ . 1 . 2]" 1
1671 1 120 ILE MD 1 124 GLU HB3 5.500 . 5.500 2.081 1.850 2.385 . 0 0 "[ . 1 . 2]" 1
1672 1 120 ILE MG 1 124 GLU HB3 3.500 . 3.500 1.861 1.799 1.965 0.001 5 0 "[ . 1 . 2]" 1
1673 1 120 ILE MD 1 124 GLU HB2 5.500 . 5.500 2.929 2.707 3.152 . 0 0 "[ . 1 . 2]" 1
1674 1 120 ILE HG12 1 124 GLU HB2 5.500 . 5.500 5.484 5.266 5.547 0.047 6 0 "[ . 1 . 2]" 1
1675 1 120 ILE MG 1 124 GLU HB2 3.500 . 3.500 2.529 2.154 2.856 . 0 0 "[ . 1 . 2]" 1
1676 1 120 ILE HG13 1 124 GLU HG3 5.500 . 5.500 5.506 5.381 5.538 0.038 17 0 "[ . 1 . 2]" 1
1677 1 120 ILE MG 1 124 GLU HG3 4.500 . 4.500 3.736 3.614 3.892 . 0 0 "[ . 1 . 2]" 1
1678 1 121 PRO HD2 1 124 GLU HG3 4.500 . 4.500 3.180 2.813 3.444 . 0 0 "[ . 1 . 2]" 1
1679 1 123 ASP HB3 1 124 GLU HG3 5.500 . 5.500 5.255 4.922 5.521 0.021 14 0 "[ . 1 . 2]" 1
1680 1 124 GLU HG3 1 125 GLU HA 6.500 . 6.500 6.424 6.276 6.523 0.023 19 0 "[ . 1 . 2]" 1
1681 1 124 GLU HG3 1 127 ASN HB2 5.500 . 5.500 5.484 5.357 5.544 0.044 17 0 "[ . 1 . 2]" 1
1682 1 120 ILE MG 1 124 GLU HG2 4.500 . 4.500 4.328 4.235 4.446 . 0 0 "[ . 1 . 2]" 1
1683 1 121 PRO HD2 1 124 GLU HG2 4.500 . 4.500 4.363 4.052 4.491 . 0 0 "[ . 1 . 2]" 1
1684 1 123 ASP HB3 1 124 GLU HG2 5.500 . 5.500 4.209 3.595 4.536 . 0 0 "[ . 1 . 2]" 1
1685 1 124 GLU HG2 1 125 GLU HA 6.500 . 6.500 6.337 6.171 6.513 0.013 12 0 "[ . 1 . 2]" 1
1686 1 124 GLU HG2 1 127 ASN HB2 5.500 . 5.500 4.018 3.813 4.211 . 0 0 "[ . 1 . 2]" 1
1687 1 122 GLU HG3 1 124 GLU H 5.500 . 5.500 5.541 5.520 5.558 0.058 12 0 "[ . 1 . 2]" 1
1688 1 122 GLU HG2 1 124 GLU H 5.500 . 5.500 5.282 5.173 5.374 . 0 0 "[ . 1 . 2]" 1
1689 1 123 ASP HB3 1 124 GLU H 3.500 . 3.500 2.681 2.528 2.958 . 0 0 "[ . 1 . 2]" 1
1690 1 123 ASP HB2 1 124 GLU H 3.500 . 3.500 3.325 2.971 3.508 0.008 19 0 "[ . 1 . 2]" 1
1691 1 124 GLU H 1 124 GLU QB 3.500 . 3.500 2.110 2.087 2.150 . 0 0 "[ . 1 . 2]" 1
1692 1 124 GLU H 1 125 GLU HA 5.500 . 5.500 5.168 5.141 5.188 . 0 0 "[ . 1 . 2]" 1
1693 1 124 GLU H 1 125 GLU H 3.500 . 3.500 2.551 2.517 2.579 . 0 0 "[ . 1 . 2]" 1
1694 1 124 GLU H 1 126 LYS QE 5.500 . 5.500 5.430 5.335 5.505 0.005 3 0 "[ . 1 . 2]" 1
1695 1 124 GLU H 1 126 LYS H 5.500 . 5.500 4.342 4.321 4.361 . 0 0 "[ . 1 . 2]" 1
1696 1 124 GLU H 1 127 ASN H 4.500 . 4.500 4.542 4.510 4.561 0.061 6 0 "[ . 1 . 2]" 1
1697 1 20 LEU MD2 1 125 GLU HA 4.500 . 4.500 3.129 2.793 3.777 . 0 0 "[ . 1 . 2]" 1
1698 1 125 GLU HA 1 125 GLU HG3 3.500 . 3.500 2.877 2.559 3.173 . 0 0 "[ . 1 . 2]" 1
1699 1 125 GLU HA 1 125 GLU HG2 3.500 . 3.500 3.134 2.781 3.381 . 0 0 "[ . 1 . 2]" 1
1700 1 125 GLU HA 1 125 GLU QG 3.500 . 3.500 2.640 2.484 2.733 . 0 0 "[ . 1 . 2]" 1
1701 1 125 GLU HA 1 126 LYS HA 5.500 . 5.500 4.841 4.828 4.850 . 0 0 "[ . 1 . 2]" 1
1702 1 125 GLU HA 1 128 TYR HB3 3.500 . 3.500 3.020 2.855 3.136 . 0 0 "[ . 1 . 2]" 1
1703 1 125 GLU HA 1 128 TYR H 4.500 . 4.500 3.642 3.534 3.785 . 0 0 "[ . 1 . 2]" 1
1704 1 125 GLU HA 1 129 TRP H 4.500 . 4.500 3.798 3.703 3.901 . 0 0 "[ . 1 . 2]" 1
1705 1 125 GLU HB3 1 128 TYR HB3 6.000 . 6.000 5.852 5.684 5.966 . 0 0 "[ . 1 . 2]" 1
1706 1 125 GLU QB 1 126 LYS QG 5.500 . 5.500 3.740 3.684 3.781 . 0 0 "[ . 1 . 2]" 1
1707 1 125 GLU QB 1 126 LYS H 4.500 . 4.500 2.280 2.220 2.320 . 0 0 "[ . 1 . 2]" 1
1708 1 125 GLU HG3 1 126 LYS H 5.500 . 5.500 4.304 4.048 4.502 . 0 0 "[ . 1 . 2]" 1
1709 1 125 GLU HG2 1 126 LYS H 5.500 . 5.500 3.060 2.793 3.382 . 0 0 "[ . 1 . 2]" 1
1710 1 125 GLU QG 1 128 TYR HB3 5.500 . 5.500 4.528 4.236 4.735 . 0 0 "[ . 1 . 2]" 1
1711 1 120 ILE HA 1 125 GLU H 5.500 . 5.500 5.123 4.994 5.229 . 0 0 "[ . 1 . 2]" 1
1712 1 123 ASP HB2 1 125 GLU H 6.500 . 6.500 5.508 5.226 5.670 . 0 0 "[ . 1 . 2]" 1
1713 1 124 GLU HA 1 125 GLU H 3.500 . 3.500 3.534 3.524 3.540 0.040 8 0 "[ . 1 . 2]" 1
1714 1 125 GLU H 1 125 GLU HB3 3.500 . 3.500 2.363 2.281 2.467 . 0 0 "[ . 1 . 2]" 1
1715 1 125 GLU H 1 125 GLU HB2 3.500 . 3.500 2.706 2.621 2.778 . 0 0 "[ . 1 . 2]" 1
1716 1 125 GLU H 1 125 GLU QB 3.500 . 3.500 2.221 2.179 2.259 . 0 0 "[ . 1 . 2]" 1
1717 1 125 GLU H 1 126 LYS HG3 5.500 . 5.500 3.649 3.623 3.670 . 0 0 "[ . 1 . 2]" 1
1718 1 125 GLU H 1 126 LYS HG2 5.500 . 5.500 4.810 4.711 4.921 . 0 0 "[ . 1 . 2]" 1
1719 1 125 GLU H 1 126 LYS QG 4.500 . 4.500 3.544 3.520 3.568 . 0 0 "[ . 1 . 2]" 1
1720 1 125 GLU H 1 126 LYS H 3.500 . 3.500 2.813 2.796 2.826 . 0 0 "[ . 1 . 2]" 1
1721 1 125 GLU H 1 127 ASN HB2 5.500 . 5.500 4.655 4.568 4.727 . 0 0 "[ . 1 . 2]" 1
1722 1 125 GLU H 1 128 TYR HB3 5.500 . 5.500 5.247 5.145 5.378 . 0 0 "[ . 1 . 2]" 1
1723 1 126 LYS HA 1 126 LYS HG3 4.500 . 4.500 3.539 3.527 3.560 . 0 0 "[ . 1 . 2]" 1
1724 1 126 LYS HA 1 126 LYS HG2 4.500 . 4.500 4.149 4.125 4.175 . 0 0 "[ . 1 . 2]" 1
1725 1 126 LYS HA 1 129 TRP HB3 3.500 . 3.500 3.498 3.410 3.562 0.062 19 0 "[ . 1 . 2]" 1
1726 1 126 LYS HA 1 129 TRP HB2 4.500 . 4.500 3.176 2.971 3.409 . 0 0 "[ . 1 . 2]" 1
1727 1 122 GLU HA 1 126 LYS HB3 4.500 . 4.500 4.606 4.585 4.640 0.140 11 0 "[ . 1 . 2]" 1
1728 1 123 ASP HA 1 126 LYS HB3 5.500 . 5.500 4.436 4.380 4.513 . 0 0 "[ . 1 . 2]" 1
1729 1 123 ASP HA 1 126 LYS HB2 5.500 . 5.500 4.774 4.689 4.829 . 0 0 "[ . 1 . 2]" 1
1730 1 126 LYS HB2 1 126 LYS QD 3.500 . 3.500 2.076 2.053 2.112 . 0 0 "[ . 1 . 2]" 1
1731 1 126 LYS HB2 1 126 LYS QE 4.500 . 4.500 3.116 2.887 3.311 . 0 0 "[ . 1 . 2]" 1
1732 1 126 LYS HB2 1 127 ASN HD21 4.500 . 4.500 4.051 3.986 4.109 . 0 0 "[ . 1 . 2]" 1
1733 1 126 LYS HB2 1 127 ASN HD22 5.500 . 5.500 5.510 5.429 5.541 0.041 2 0 "[ . 1 . 2]" 1
1734 1 126 LYS HB2 1 127 ASN QD 5.500 . 5.500 3.953 3.890 4.004 . 0 0 "[ . 1 . 2]" 1
1735 1 124 GLU HA 1 126 LYS HD3 5.500 . 5.500 5.626 5.599 5.661 0.161 7 0 "[ . 1 . 2]" 1
1736 1 125 GLU HB3 1 126 LYS HD3 6.500 . 6.500 6.525 6.490 6.554 0.054 18 0 "[ . 1 . 2]" 1
1737 1 126 LYS HD3 1 127 ASN HB3 5.500 . 5.500 5.054 4.914 5.185 . 0 0 "[ . 1 . 2]" 1
1738 1 124 GLU HA 1 126 LYS HD2 5.500 . 5.500 4.270 4.214 4.302 . 0 0 "[ . 1 . 2]" 1
1739 1 125 GLU HB3 1 126 LYS HD2 6.500 . 6.500 6.273 6.210 6.301 . 0 0 "[ . 1 . 2]" 1
1740 1 126 LYS HD2 1 127 ASN HB3 4.500 . 4.500 4.339 4.152 4.470 . 0 0 "[ . 1 . 2]" 1
1741 1 126 LYS QD 1 127 ASN QD 5.500 . 5.500 1.743 1.708 1.772 0.092 3 0 "[ . 1 . 2]" 1
1742 1 126 LYS QE 1 127 ASN QD 5.500 . 5.500 3.008 2.700 3.260 . 0 0 "[ . 1 . 2]" 1
1743 1 126 LYS QE 1 127 ASN H 4.500 . 4.500 4.205 4.104 4.294 . 0 0 "[ . 1 . 2]" 1
1744 1 126 LYS QE 1 126 LYS QG 3.500 . 3.500 1.956 1.903 2.095 . 0 0 "[ . 1 . 2]" 1
1745 1 126 LYS QG 1 127 ASN H 4.500 . 4.500 1.861 1.841 1.907 . 0 0 "[ . 1 . 2]" 1
1746 1 125 GLU HB3 1 126 LYS H 3.500 . 3.500 2.300 2.237 2.341 . 0 0 "[ . 1 . 2]" 1
1747 1 126 LYS H 1 126 LYS HB2 3.500 . 3.500 3.516 3.508 3.523 0.023 9 0 "[ . 1 . 2]" 1
1748 1 126 LYS H 1 126 LYS QE 4.500 . 4.500 4.573 4.548 4.613 0.113 3 0 "[ . 1 . 2]" 1
1749 1 126 LYS H 1 126 LYS QG 3.500 . 3.500 1.936 1.910 1.957 . 0 0 "[ . 1 . 2]" 1
1750 1 126 LYS H 1 127 ASN H 3.500 . 3.500 2.691 2.663 2.715 . 0 0 "[ . 1 . 2]" 1
1751 1 126 LYS H 1 129 TRP HB2 6.500 . 6.500 4.835 4.688 5.013 . 0 0 "[ . 1 . 2]" 1
1752 1 127 ASN HA 1 127 ASN HD21 4.500 . 4.500 1.823 1.778 1.852 0.022 3 0 "[ . 1 . 2]" 1
1753 1 127 ASN HA 1 127 ASN HD22 4.500 . 4.500 3.190 3.174 3.205 . 0 0 "[ . 1 . 2]" 1
1754 1 124 GLU HA 1 127 ASN H 3.500 . 3.500 3.291 3.221 3.344 . 0 0 "[ . 1 . 2]" 1
1755 1 124 GLU HG2 1 127 ASN H 5.500 . 5.500 5.523 5.399 5.586 0.086 12 0 "[ . 1 . 2]" 1
1756 1 125 GLU H 1 127 ASN H 4.500 . 4.500 3.915 3.863 3.956 . 0 0 "[ . 1 . 2]" 1
1757 1 126 LYS HB2 1 127 ASN H 3.500 . 3.500 3.577 3.558 3.591 0.091 12 0 "[ . 1 . 2]" 1
1758 1 126 LYS HG3 1 127 ASN H 3.500 . 3.500 1.868 1.847 1.915 . 0 0 "[ . 1 . 2]" 1
1759 1 126 LYS HG2 1 127 ASN H 3.500 . 3.500 3.538 3.512 3.549 0.049 16 0 "[ . 1 . 2]" 1
1760 1 127 ASN H 1 127 ASN QB 3.500 . 3.500 2.090 2.077 2.105 . 0 0 "[ . 1 . 2]" 1
1761 1 127 ASN H 1 127 ASN HD21 4.500 . 4.500 3.022 2.970 3.058 . 0 0 "[ . 1 . 2]" 1
1762 1 127 ASN H 1 127 ASN HD22 4.500 . 4.500 4.504 4.432 4.535 0.035 16 0 "[ . 1 . 2]" 1
1763 1 127 ASN H 1 127 ASN QD 4.500 . 4.500 2.978 2.927 3.011 . 0 0 "[ . 1 . 2]" 1
1764 1 128 TYR HA 1 128 TYR QD 3.500 . 3.500 2.566 2.499 2.658 . 0 0 "[ . 1 . 2]" 1
1765 1 128 TYR HA 1 128 TYR QE 5.500 . 5.500 4.620 4.574 4.690 . 0 0 "[ . 1 . 2]" 1
1766 1 128 TYR HA 1 131 TYR HB2 4.500 . 4.500 3.052 2.979 3.164 . 0 0 "[ . 1 . 2]" 1
1767 1 128 TYR HA 1 131 TYR QD 5.500 . 5.500 2.784 2.557 3.173 . 0 0 "[ . 1 . 2]" 1
1768 1 128 TYR HA 1 131 TYR H 4.500 . 4.500 3.459 3.368 3.535 . 0 0 "[ . 1 . 2]" 1
1769 1 128 TYR HA 1 132 ILE MD 5.500 . 5.500 3.324 3.254 3.402 . 0 0 "[ . 1 . 2]" 1
1770 1 128 TYR HA 1 132 ILE QG 4.500 . 4.500 4.352 4.334 4.371 . 0 0 "[ . 1 . 2]" 1
1771 1 125 GLU HG3 1 128 TYR HB3 5.500 . 5.500 5.080 4.452 5.496 . 0 0 "[ . 1 . 2]" 1
1772 1 125 GLU HG2 1 128 TYR HB3 5.500 . 5.500 5.150 4.596 5.458 . 0 0 "[ . 1 . 2]" 1
1773 1 127 ASN HB3 1 128 TYR HB3 5.500 . 5.500 5.033 4.919 5.097 . 0 0 "[ . 1 . 2]" 1
1774 1 128 TYR HB3 1 128 TYR QD 3.500 . 3.500 2.290 2.279 2.303 . 0 0 "[ . 1 . 2]" 1
1775 1 128 TYR HB3 1 129 TRP HB3 5.500 . 5.500 5.538 5.511 5.568 0.068 6 0 "[ . 1 . 2]" 1
1776 1 128 TYR HB3 1 129 TRP H 3.500 . 3.500 2.426 2.400 2.460 . 0 0 "[ . 1 . 2]" 1
1777 1 127 ASN HB3 1 128 TYR HB2 4.500 . 4.500 4.382 4.313 4.435 . 0 0 "[ . 1 . 2]" 1
1778 1 128 TYR QD 1 129 TRP HA 4.500 . 4.500 3.561 3.451 3.659 . 0 0 "[ . 1 . 2]" 1
1779 1 128 TYR QD 1 129 TRP HD1 5.500 . 5.500 3.324 2.851 3.790 . 0 0 "[ . 1 . 2]" 1
1780 1 128 TYR QD 1 129 TRP HE1 5.500 . 5.500 5.472 5.039 5.572 0.072 4 0 "[ . 1 . 2]" 1
1781 1 128 TYR QD 1 129 TRP H 4.500 . 4.500 3.247 3.086 3.317 . 0 0 "[ . 1 . 2]" 1
1782 1 128 TYR QD 1 131 TYR H 5.500 . 5.500 5.310 5.219 5.390 . 0 0 "[ . 1 . 2]" 1
1783 1 128 TYR QD 1 132 ILE MD 4.500 . 4.500 2.439 2.382 2.492 . 0 0 "[ . 1 . 2]" 1
1784 1 128 TYR QD 1 132 ILE QG 4.500 . 4.500 4.157 4.123 4.202 . 0 0 "[ . 1 . 2]" 1
1785 1 128 TYR QE 1 129 TRP HA 4.500 . 4.500 4.450 4.243 4.542 0.042 10 0 "[ . 1 . 2]" 1
1786 1 128 TYR QE 1 132 ILE MD 4.500 . 4.500 2.377 2.309 2.442 . 0 0 "[ . 1 . 2]" 1
1787 1 128 TYR QE 1 132 ILE QG 4.500 . 4.500 4.163 4.086 4.237 . 0 0 "[ . 1 . 2]" 1
1788 1 128 TYR QE 1 132 ILE MG 5.500 . 5.500 2.700 2.544 2.853 . 0 0 "[ . 1 . 2]" 1
1789 1 124 GLU HA 1 128 TYR H 5.500 . 5.500 3.729 3.583 3.793 . 0 0 "[ . 1 . 2]" 1
1790 1 127 ASN H 1 128 TYR H 3.500 . 3.500 2.730 2.679 2.761 . 0 0 "[ . 1 . 2]" 1
1791 1 128 TYR H 1 128 TYR HB3 3.500 . 3.500 2.405 2.338 2.460 . 0 0 "[ . 1 . 2]" 1
1792 1 128 TYR H 1 128 TYR HB2 3.500 . 3.500 2.660 2.623 2.712 . 0 0 "[ . 1 . 2]" 1
1793 1 128 TYR H 1 128 TYR QD 4.500 . 4.500 4.182 4.149 4.204 . 0 0 "[ . 1 . 2]" 1
1794 1 129 TRP HA 1 129 TRP HD1 4.500 . 4.500 2.842 1.924 3.726 . 0 0 "[ . 1 . 2]" 1
1795 1 129 TRP HA 1 129 TRP HE1 5.500 . 5.500 4.654 4.337 5.007 . 0 0 "[ . 1 . 2]" 1
1796 1 129 TRP HA 1 132 ILE HB 5.500 . 5.500 4.830 4.751 4.945 . 0 0 "[ . 1 . 2]" 1
1797 1 129 TRP HA 1 132 ILE MD 5.500 . 5.500 1.889 1.841 2.034 . 0 0 "[ . 1 . 2]" 1
1798 1 129 TRP HA 1 132 ILE QG 3.500 . 3.500 2.327 2.274 2.415 . 0 0 "[ . 1 . 2]" 1
1799 1 129 TRP HA 1 132 ILE MG 4.500 . 4.500 4.460 4.409 4.539 0.039 1 0 "[ . 1 . 2]" 1
1800 1 129 TRP HA 1 132 ILE H 4.500 . 4.500 3.899 3.843 3.970 . 0 0 "[ . 1 . 2]" 1
1801 1 129 TRP HA 1 133 LYS H 4.500 . 4.500 4.083 4.005 4.147 . 0 0 "[ . 1 . 2]" 1
1802 1 129 TRP HB2 1 129 TRP HE1 5.500 . 5.500 4.863 4.746 5.035 . 0 0 "[ . 1 . 2]" 1
1803 1 129 TRP HB2 1 130 ASN H 4.500 . 4.500 3.095 2.965 3.217 . 0 0 "[ . 1 . 2]" 1
1804 1 128 TYR HB3 1 129 TRP HD1 6.500 . 6.500 4.749 4.268 5.080 . 0 0 "[ . 1 . 2]" 1
1805 1 129 TRP HD1 1 132 ILE MD 5.500 . 5.500 3.389 2.538 4.549 . 0 0 "[ . 1 . 2]" 1
1806 1 125 GLU HG2 1 129 TRP H 4.500 . 4.500 4.284 3.985 4.507 0.007 9 0 "[ . 1 . 2]" 1
1807 1 128 TYR HB2 1 129 TRP H 4.500 . 4.500 3.841 3.820 3.871 . 0 0 "[ . 1 . 2]" 1
1808 1 129 TRP H 1 129 TRP HB2 3.500 . 3.500 2.078 2.040 2.116 . 0 0 "[ . 1 . 2]" 1
1809 1 129 TRP H 1 129 TRP HD1 4.500 . 4.500 3.807 3.504 3.968 . 0 0 "[ . 1 . 2]" 1
1810 1 129 TRP H 1 131 TYR HB3 5.500 . 5.500 4.500 4.403 4.588 . 0 0 "[ . 1 . 2]" 1
1811 1 129 TRP H 1 131 TYR H 4.500 . 4.500 3.937 3.899 3.980 . 0 0 "[ . 1 . 2]" 1
1812 1 129 TRP H 1 132 ILE MD 5.500 . 5.500 3.296 3.191 3.398 . 0 0 "[ . 1 . 2]" 1
1813 1 130 ASN HA 1 132 ILE HG13 5.500 . 5.500 5.546 5.520 5.580 0.080 1 0 "[ . 1 . 2]" 1
1814 1 130 ASN HA 1 132 ILE HG12 5.500 . 5.500 4.561 4.532 4.594 . 0 0 "[ . 1 . 2]" 1
1815 1 130 ASN HA 1 132 ILE H 5.500 . 5.500 4.902 4.868 4.936 . 0 0 "[ . 1 . 2]" 1
1816 1 130 ASN HA 1 133 LYS HB3 3.500 . 3.500 2.147 2.022 2.281 . 0 0 "[ . 1 . 2]" 1
1817 1 130 ASN HA 1 133 LYS QB 3.500 . 3.500 2.123 2.010 2.247 . 0 0 "[ . 1 . 2]" 1
1818 1 130 ASN HA 1 133 LYS H 4.500 . 4.500 3.365 3.317 3.403 . 0 0 "[ . 1 . 2]" 1
1819 1 130 ASN HB3 1 134 PHE HB3 5.500 . 5.500 5.458 5.300 5.554 0.054 4 0 "[ . 1 . 2]" 1
1820 1 127 ASN HB2 1 130 ASN H 6.500 . 6.500 6.087 6.022 6.158 . 0 0 "[ . 1 . 2]" 1
1821 1 129 TRP HD1 1 130 ASN H 5.500 . 5.500 5.457 5.200 5.560 0.060 17 0 "[ . 1 . 2]" 1
1822 1 129 TRP H 1 130 ASN H 3.500 . 3.500 2.923 2.898 2.950 . 0 0 "[ . 1 . 2]" 1
1823 1 130 ASN H 1 130 ASN QB 3.500 . 3.500 2.172 2.066 2.383 . 0 0 "[ . 1 . 2]" 1
1824 1 130 ASN H 1 131 TYR H 3.500 . 3.500 2.615 2.582 2.648 . 0 0 "[ . 1 . 2]" 1
1825 1 130 ASN H 1 132 ILE QG 5.500 . 5.500 4.206 4.175 4.242 . 0 0 "[ . 1 . 2]" 1
1826 1 130 ASN H 1 132 ILE H 4.500 . 4.500 4.642 4.626 4.656 0.156 5 0 "[ . 1 . 2]" 1
1827 1 130 ASN H 1 133 LYS H 4.500 . 4.500 4.602 4.579 4.631 0.131 19 0 "[ . 1 . 2]" 1
1828 1 127 ASN HA 1 131 TYR HA 5.500 . 5.500 5.474 5.355 5.540 0.040 10 0 "[ . 1 . 2]" 1
1829 1 131 TYR HA 1 131 TYR QD 3.500 . 3.500 2.455 2.408 2.638 . 0 0 "[ . 1 . 2]" 1
1830 1 131 TYR HA 1 132 ILE HA 5.500 . 5.500 4.750 4.740 4.764 . 0 0 "[ . 1 . 2]" 1
1831 1 131 TYR HA 1 134 PHE H 5.500 . 5.500 3.490 3.382 3.570 . 0 0 "[ . 1 . 2]" 1
1832 1 131 TYR HA 1 135 LYS HD3 5.500 . 5.500 5.305 4.937 5.530 0.030 5 0 "[ . 1 . 2]" 1
1833 1 131 TYR HA 1 135 LYS HD2 5.500 . 5.500 5.580 5.538 5.625 0.125 19 0 "[ . 1 . 2]" 1
1834 1 131 TYR HA 1 135 LYS H 4.500 . 4.500 4.087 4.011 4.226 . 0 0 "[ . 1 . 2]" 1
1835 1 131 TYR HB3 1 131 TYR QD 3.500 . 3.500 2.273 2.262 2.292 . 0 0 "[ . 1 . 2]" 1
1836 1 131 TYR HB3 1 132 ILE MD 4.500 . 4.500 3.412 3.292 3.551 . 0 0 "[ . 1 . 2]" 1
1837 1 131 TYR HB3 1 132 ILE QG 3.500 . 3.500 3.562 3.543 3.577 0.077 7 0 "[ . 1 . 2]" 1
1838 1 131 TYR HB3 1 132 ILE H 4.500 . 4.500 2.146 2.119 2.183 . 0 0 "[ . 1 . 2]" 1
1839 1 131 TYR QD 1 132 ILE HA 4.500 . 4.500 3.863 3.433 3.970 . 0 0 "[ . 1 . 2]" 1
1840 1 131 TYR QD 1 132 ILE MD 4.500 . 4.500 3.042 2.913 3.125 . 0 0 "[ . 1 . 2]" 1
1841 1 131 TYR QD 1 132 ILE MG 5.500 . 5.500 2.702 2.367 2.947 . 0 0 "[ . 1 . 2]" 1
1842 1 131 TYR QD 1 132 ILE H 4.500 . 4.500 2.911 2.657 2.996 . 0 0 "[ . 1 . 2]" 1
1843 1 131 TYR QD 1 133 LYS H 5.500 . 5.500 5.258 5.120 5.301 . 0 0 "[ . 1 . 2]" 1
1844 1 131 TYR QD 1 134 PHE H 6.500 . 6.500 4.831 4.675 5.025 . 0 0 "[ . 1 . 2]" 1
1845 1 131 TYR QD 1 135 LYS QB 4.500 . 4.500 4.194 4.078 4.461 . 0 0 "[ . 1 . 2]" 1
1846 1 131 TYR QD 1 135 LYS H 5.500 . 5.500 4.376 4.208 4.678 . 0 0 "[ . 1 . 2]" 1
1847 1 131 TYR QE 1 132 ILE MD 4.500 . 4.500 4.511 4.410 4.555 0.055 4 0 "[ . 1 . 2]" 1
1848 1 131 TYR H 1 131 TYR HB3 3.500 . 3.500 2.334 2.281 2.396 . 0 0 "[ . 1 . 2]" 1
1849 1 131 TYR H 1 131 TYR HB2 3.500 . 3.500 2.694 2.653 2.758 . 0 0 "[ . 1 . 2]" 1
1850 1 131 TYR H 1 131 TYR QD 4.500 . 4.500 4.160 4.129 4.182 . 0 0 "[ . 1 . 2]" 1
1851 1 131 TYR H 1 132 ILE MD 5.500 . 5.500 4.264 4.199 4.386 . 0 0 "[ . 1 . 2]" 1
1852 1 128 TYR QE 1 132 ILE HA 5.500 . 5.500 5.439 5.303 5.531 0.031 13 0 "[ . 1 . 2]" 1
1853 1 132 ILE HA 1 132 ILE MD 4.500 . 4.500 3.789 3.720 3.873 . 0 0 "[ . 1 . 2]" 1
1854 1 132 ILE HA 1 132 ILE HG13 4.500 . 4.500 4.131 4.097 4.161 . 0 0 "[ . 1 . 2]" 1
1855 1 132 ILE HA 1 132 ILE HG12 4.500 . 4.500 3.471 3.464 3.480 . 0 0 "[ . 1 . 2]" 1
1856 1 132 ILE HA 1 135 LYS QB 4.500 . 4.500 3.828 3.783 3.858 . 0 0 "[ . 1 . 2]" 1
1857 1 132 ILE HA 1 135 LYS HG3 4.500 . 4.500 1.844 1.806 1.879 . 0 0 "[ . 1 . 2]" 1
1858 1 132 ILE HA 1 135 LYS HG2 4.500 . 4.500 2.524 2.291 2.895 . 0 0 "[ . 1 . 2]" 1
1859 1 132 ILE HA 1 135 LYS QG 4.500 . 4.500 1.795 1.782 1.817 0.018 3 0 "[ . 1 . 2]" 1
1860 1 132 ILE HA 1 135 LYS H 4.500 . 4.500 3.221 3.135 3.292 . 0 0 "[ . 1 . 2]" 1
1861 1 132 ILE HB 1 132 ILE MD 3.500 . 3.500 2.983 2.926 3.021 . 0 0 "[ . 1 . 2]" 1
1862 1 132 ILE HB 1 133 LYS H 3.500 . 3.500 3.433 3.367 3.499 . 0 0 "[ . 1 . 2]" 1
1863 1 132 ILE HB 1 135 LYS H 5.500 . 5.500 5.225 5.168 5.272 . 0 0 "[ . 1 . 2]" 1
1864 1 132 ILE MD 1 133 LYS H 5.500 . 5.500 3.957 3.895 3.994 . 0 0 "[ . 1 . 2]" 1
1865 1 132 ILE MD 1 135 LYS QB 6.500 . 6.500 6.449 6.362 6.522 0.022 12 0 "[ . 1 . 2]" 1
1866 1 132 ILE MD 1 135 LYS H 6.500 . 6.500 6.170 6.111 6.228 . 0 0 "[ . 1 . 2]" 1
1867 1 83 ARG HD3 1 132 ILE HG13 5.500 . 5.500 5.417 5.046 5.531 0.031 14 0 "[ . 1 . 2]" 1
1868 1 83 ARG HD2 1 132 ILE HG13 5.500 . 5.500 4.501 4.344 4.720 . 0 0 "[ . 1 . 2]" 1
1869 1 128 TYR HA 1 132 ILE HG13 6.500 . 6.500 5.882 5.847 5.936 . 0 0 "[ . 1 . 2]" 1
1870 1 131 TYR QD 1 132 ILE HG13 5.500 . 5.500 5.464 5.233 5.542 0.042 11 0 "[ . 1 . 2]" 1
1871 1 132 ILE HG13 1 133 LYS HB2 4.500 . 4.500 4.103 3.793 4.477 . 0 0 "[ . 1 . 2]" 1
1872 1 83 ARG HD2 1 132 ILE HG12 5.500 . 5.500 5.539 5.470 5.583 0.083 7 0 "[ . 1 . 2]" 1
1873 1 128 TYR HA 1 132 ILE HG12 6.500 . 6.500 4.484 4.461 4.504 . 0 0 "[ . 1 . 2]" 1
1874 1 131 TYR QD 1 132 ILE HG12 5.500 . 5.500 4.251 4.048 4.325 . 0 0 "[ . 1 . 2]" 1
1875 1 132 ILE HG12 1 133 LYS HB2 4.500 . 4.500 4.199 3.759 4.521 0.021 9 0 "[ . 1 . 2]" 1
1876 1 132 ILE QG 1 133 LYS H 4.500 . 4.500 2.228 2.158 2.273 . 0 0 "[ . 1 . 2]" 1
1877 1 132 ILE QG 1 135 LYS H 5.500 . 5.500 5.243 5.206 5.289 . 0 0 "[ . 1 . 2]" 1
1878 1 132 ILE MD 1 132 ILE MG 3.500 . 3.500 1.774 1.761 1.790 0.039 5 0 "[ . 1 . 2]" 1
1879 1 132 ILE MG 1 133 LYS H 4.500 . 4.500 4.183 4.144 4.205 . 0 0 "[ . 1 . 2]" 1
1880 1 132 ILE MG 1 135 LYS QB 4.500 . 4.500 4.536 4.511 4.560 0.060 3 0 "[ . 1 . 2]" 1
1881 1 128 TYR HA 1 132 ILE H 3.500 . 3.500 3.598 3.563 3.630 0.130 6 0 "[ . 1 . 2]" 1
1882 1 132 ILE H 1 132 ILE HB 3.500 . 3.500 3.598 3.591 3.608 0.108 17 0 "[ . 1 . 2]" 1
1883 1 132 ILE H 1 132 ILE MD 4.500 . 4.500 2.567 2.461 2.656 . 0 0 "[ . 1 . 2]" 1
1884 1 132 ILE H 1 132 ILE QG 3.500 . 3.500 1.775 1.760 1.797 0.040 19 0 "[ . 1 . 2]" 1
1885 1 132 ILE H 1 132 ILE MG 4.500 . 4.500 2.732 2.621 2.843 . 0 0 "[ . 1 . 2]" 1
1886 1 132 ILE H 1 133 LYS HB3 5.500 . 5.500 4.954 4.668 5.209 . 0 0 "[ . 1 . 2]" 1
1887 1 132 ILE H 1 133 LYS H 3.500 . 3.500 2.786 2.741 2.812 . 0 0 "[ . 1 . 2]" 1
1888 1 132 ILE H 1 134 PHE H 6.500 . 6.500 3.912 3.870 3.956 . 0 0 "[ . 1 . 2]" 1
1889 1 132 ILE H 1 135 LYS QB 6.000 . 6.000 5.764 5.708 5.827 . 0 0 "[ . 1 . 2]" 1
1890 1 132 ILE H 1 135 LYS HD3 6.500 . 6.500 3.867 3.663 4.046 . 0 0 "[ . 1 . 2]" 1
1891 1 132 ILE H 1 135 LYS HD2 6.500 . 6.500 5.175 5.048 5.343 . 0 0 "[ . 1 . 2]" 1
1892 1 132 ILE H 1 135 LYS H 5.500 . 5.500 4.648 4.609 4.697 . 0 0 "[ . 1 . 2]" 1
1893 1 130 ASN HA 1 133 LYS HA 5.500 . 5.500 5.051 4.968 5.112 . 0 0 "[ . 1 . 2]" 1
1894 1 132 ILE HA 1 133 LYS HA 5.500 . 5.500 4.745 4.730 4.779 . 0 0 "[ . 1 . 2]" 1
1895 1 133 LYS HA 1 133 LYS QD 4.500 . 4.500 4.088 2.978 4.247 . 0 0 "[ . 1 . 2]" 1
1896 1 133 LYS HA 1 135 LYS H 5.500 . 5.500 4.579 4.510 4.656 . 0 0 "[ . 1 . 2]" 1
1897 1 133 LYS HA 1 137 ASN HA 5.500 . 5.500 2.178 1.985 2.429 . 0 0 "[ . 1 . 2]" 1
1898 1 130 ASN HA 1 133 LYS HB2 3.500 . 3.500 3.421 2.889 3.562 0.062 14 0 "[ . 1 . 2]" 1
1899 1 133 LYS HB2 1 133 LYS HE3 5.500 . 5.500 4.529 4.338 4.837 . 0 0 "[ . 1 . 2]" 1
1900 1 133 LYS HB2 1 133 LYS HE2 5.500 . 5.500 4.086 3.377 5.432 . 0 0 "[ . 1 . 2]" 1
1901 1 133 LYS HB2 1 137 ASN HB3 6.500 . 6.500 6.264 5.954 6.537 0.037 6 0 "[ . 1 . 2]" 1
1902 1 133 LYS HB2 1 137 ASN HB2 6.500 . 6.500 5.629 5.236 5.971 . 0 0 "[ . 1 . 2]" 1
1903 1 133 LYS QB 1 134 PHE H 3.500 . 3.500 3.175 3.139 3.221 . 0 0 "[ . 1 . 2]" 1
1904 1 131 TYR HB2 1 133 LYS H 6.000 . 6.000 5.628 5.569 5.699 . 0 0 "[ . 1 . 2]" 1
1905 1 133 LYS H 1 133 LYS HB3 3.500 . 3.500 2.424 2.163 2.726 . 0 0 "[ . 1 . 2]" 1
1906 1 133 LYS H 1 133 LYS QB 3.500 . 3.500 2.226 2.107 2.272 . 0 0 "[ . 1 . 2]" 1
1907 1 133 LYS H 1 133 LYS HD3 6.500 . 6.500 4.568 3.664 5.903 . 0 0 "[ . 1 . 2]" 1
1908 1 133 LYS H 1 133 LYS HD2 6.500 . 6.500 5.667 5.083 5.928 . 0 0 "[ . 1 . 2]" 1
1909 1 133 LYS H 1 134 PHE HB2 5.500 . 5.500 4.423 4.317 4.499 . 0 0 "[ . 1 . 2]" 1
1910 1 133 LYS H 1 134 PHE H 3.500 . 3.500 2.528 2.481 2.590 . 0 0 "[ . 1 . 2]" 1
1911 1 133 LYS H 1 137 ASN H 4.500 . 4.500 4.592 4.543 4.677 0.177 7 0 "[ . 1 . 2]" 1
1912 1 134 PHE HB3 1 135 LYS H 4.500 . 4.500 2.760 2.662 2.957 . 0 0 "[ . 1 . 2]" 1
1913 1 131 TYR QE 1 134 PHE HB2 6.500 . 6.500 6.452 6.206 6.565 0.065 17 0 "[ . 1 . 2]" 1
1914 1 133 LYS HE3 1 134 PHE HB2 4.500 . 4.500 4.338 3.290 4.556 0.056 16 0 "[ . 1 . 2]" 1
1915 1 133 LYS HE2 1 134 PHE HB2 4.500 . 4.500 3.268 2.833 4.539 0.039 3 0 "[ . 1 . 2]" 1
1916 1 134 PHE HB2 1 135 LYS H 4.500 . 4.500 3.574 3.342 3.676 . 0 0 "[ . 1 . 2]" 1
1917 1 134 PHE QB 1 135 LYS H 3.500 . 3.500 2.670 2.597 2.770 . 0 0 "[ . 1 . 2]" 1
1918 1 134 PHE QD 1 135 LYS H 4.500 . 4.500 4.310 4.020 4.548 0.048 20 0 "[ . 1 . 2]" 1
1919 1 133 LYS HD2 1 134 PHE H 6.500 . 6.500 5.684 4.794 6.168 . 0 0 "[ . 1 . 2]" 1
1920 1 134 PHE H 1 134 PHE HB3 3.500 . 3.500 2.903 2.784 3.170 . 0 0 "[ . 1 . 2]" 1
1921 1 134 PHE H 1 134 PHE HB2 3.500 . 3.500 2.452 2.321 2.525 . 0 0 "[ . 1 . 2]" 1
1922 1 135 LYS HA 1 135 LYS QD 4.500 . 4.500 4.499 4.400 4.560 0.060 1 0 "[ . 1 . 2]" 1
1923 1 131 TYR QD 1 135 LYS HB3 5.500 . 5.500 4.348 4.205 4.697 . 0 0 "[ . 1 . 2]" 1
1924 1 131 TYR QD 1 135 LYS HB2 5.500 . 5.500 5.517 5.420 5.571 0.071 5 0 "[ . 1 . 2]" 1
1925 1 135 LYS QB 1 136 LYS H 4.500 . 4.500 3.182 3.087 3.247 . 0 0 "[ . 1 . 2]" 1
1926 1 131 TYR QE 1 135 LYS HG3 5.500 . 5.500 4.642 4.450 4.767 . 0 0 "[ . 1 . 2]" 1
1927 1 132 ILE H 1 135 LYS HG3 4.500 . 4.500 4.303 4.096 4.485 . 0 0 "[ . 1 . 2]" 1
1928 1 131 TYR QE 1 135 LYS HG2 5.500 . 5.500 3.421 3.141 3.600 . 0 0 "[ . 1 . 2]" 1
1929 1 132 ILE H 1 135 LYS HG2 4.500 . 4.500 4.031 3.913 4.247 . 0 0 "[ . 1 . 2]" 1
1930 1 135 LYS HG2 1 137 ASN H 6.500 . 6.500 5.842 5.585 6.109 . 0 0 "[ . 1 . 2]" 1
1931 1 135 LYS QG 1 136 LYS H 4.500 . 4.500 2.153 2.001 2.316 . 0 0 "[ . 1 . 2]" 1
1932 1 132 ILE MG 1 135 LYS H 6.500 . 6.500 4.849 4.784 4.914 . 0 0 "[ . 1 . 2]" 1
1933 1 133 LYS HB3 1 135 LYS H 6.500 . 6.500 5.401 5.362 5.442 . 0 0 "[ . 1 . 2]" 1
1934 1 134 PHE HA 1 135 LYS H 3.500 . 3.500 3.514 3.497 3.528 0.028 16 0 "[ . 1 . 2]" 1
1935 1 135 LYS H 1 135 LYS HB3 3.500 . 3.500 3.149 3.056 3.266 . 0 0 "[ . 1 . 2]" 1
1936 1 135 LYS H 1 135 LYS HB2 3.500 . 3.500 3.486 3.419 3.528 0.028 16 0 "[ . 1 . 2]" 1
1937 1 135 LYS H 1 135 LYS QB 3.500 . 3.500 2.928 2.881 2.976 . 0 0 "[ . 1 . 2]" 1
1938 1 135 LYS H 1 135 LYS HG3 4.500 . 4.500 2.104 1.875 2.397 . 0 0 "[ . 1 . 2]" 1
1939 1 135 LYS H 1 135 LYS HG2 4.500 . 4.500 2.037 1.862 2.192 . 0 0 "[ . 1 . 2]" 1
1940 1 135 LYS H 1 135 LYS QG 4.500 . 4.500 1.816 1.771 1.868 0.029 19 0 "[ . 1 . 2]" 1
1941 1 135 LYS H 1 136 LYS HA 5.500 . 5.500 5.034 4.992 5.070 . 0 0 "[ . 1 . 2]" 1
1942 1 135 LYS H 1 136 LYS QB 5.500 . 5.500 4.389 4.210 5.095 . 0 0 "[ . 1 . 2]" 1
1943 1 135 LYS H 1 136 LYS H 3.500 . 3.500 2.342 2.284 2.386 . 0 0 "[ . 1 . 2]" 1
1944 1 135 LYS H 1 137 ASN HA 5.500 . 5.500 5.560 5.523 5.588 0.088 16 0 "[ . 1 . 2]" 1
1945 1 136 LYS HA 1 136 LYS HE3 3.500 . 3.500 2.711 1.876 3.396 . 0 0 "[ . 1 . 2]" 1
1946 1 136 LYS HA 1 136 LYS HE2 3.500 . 3.500 2.944 2.202 3.523 0.023 7 0 "[ . 1 . 2]" 1
1947 1 136 LYS HA 1 136 LYS QE 5.500 . 5.500 2.375 1.820 3.029 . 0 0 "[ . 1 . 2]" 1
1948 1 136 LYS HA 1 136 LYS HG3 4.500 . 4.500 3.079 2.641 4.071 . 0 0 "[ . 1 . 2]" 1
1949 1 136 LYS HA 1 136 LYS HG2 4.500 . 4.500 3.765 3.203 3.940 . 0 0 "[ . 1 . 2]" 1
1950 1 136 LYS HA 1 137 ASN H 3.500 . 3.500 3.533 3.517 3.547 0.047 7 0 "[ . 1 . 2]" 1
1951 1 136 LYS QB 1 137 ASN H 4.500 . 4.500 1.985 1.845 2.151 . 0 0 "[ . 1 . 2]" 1
1952 1 136 LYS QG 1 137 ASN HA 4.500 . 4.500 3.986 3.473 4.554 0.054 5 0 "[ . 1 . 2]" 1
1953 1 136 LYS QG 1 137 ASN H 4.500 . 4.500 2.492 1.992 2.764 . 0 0 "[ . 1 . 2]" 1
1954 1 133 LYS HB3 1 136 LYS H 6.500 . 6.500 5.912 5.850 5.981 . 0 0 "[ . 1 . 2]" 1
1955 1 134 PHE HA 1 136 LYS H 5.500 . 5.500 4.473 4.387 4.568 . 0 0 "[ . 1 . 2]" 1
1956 1 134 PHE HB2 1 136 LYS H 5.500 . 5.500 5.486 5.338 5.534 0.034 19 0 "[ . 1 . 2]" 1
1957 1 136 LYS H 1 136 LYS QB 3.500 . 3.500 2.413 2.234 3.024 . 0 0 "[ . 1 . 2]" 1
1958 1 136 LYS H 1 136 LYS QE 5.500 . 5.500 4.434 3.634 4.873 . 0 0 "[ . 1 . 2]" 1
1959 1 136 LYS H 1 136 LYS HG3 4.500 . 4.500 4.035 2.827 4.370 . 0 0 "[ . 1 . 2]" 1
1960 1 136 LYS H 1 136 LYS HG2 4.500 . 4.500 4.112 1.855 4.635 0.135 4 0 "[ . 1 . 2]" 1
1961 1 136 LYS H 1 137 ASN H 3.500 . 3.500 2.645 2.550 2.749 . 0 0 "[ . 1 . 2]" 1
1962 1 133 LYS HE3 1 137 ASN HB3 4.500 . 4.500 4.236 3.675 4.578 0.078 16 0 "[ . 1 . 2]" 1
1963 1 133 LYS HE3 1 137 ASN HB2 4.500 . 4.500 3.246 2.674 3.917 . 0 0 "[ . 1 . 2]" 1
1964 1 133 LYS HE2 1 137 ASN HB2 4.500 . 4.500 4.400 4.135 4.585 0.085 3 0 "[ . 1 . 2]" 1
1965 1 135 LYS HG3 1 137 ASN H 4.500 . 4.500 4.432 4.292 4.546 0.046 6 0 "[ . 1 . 2]" 1
1966 1 136 LYS HE3 1 137 ASN H 6.500 . 6.500 5.142 4.264 5.903 . 0 0 "[ . 1 . 2]" 1
1967 1 136 LYS HE2 1 137 ASN H 6.500 . 6.500 4.880 3.618 5.909 . 0 0 "[ . 1 . 2]" 1
1968 1 136 LYS HG3 1 137 ASN H 3.500 . 3.500 2.723 2.005 3.157 . 0 0 "[ . 1 . 2]" 1
1969 1 136 LYS HG2 1 137 ASN H 3.500 . 3.500 3.057 2.522 3.435 . 0 0 "[ . 1 . 2]" 1
1970 1 137 ASN H 1 137 ASN QB 3.500 . 3.500 3.116 3.077 3.150 . 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 62
_Distance_constraint_stats_list.Viol_count 466
_Distance_constraint_stats_list.Viol_total 601.017
_Distance_constraint_stats_list.Viol_max 0.247
_Distance_constraint_stats_list.Viol_rms 0.0469
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0242
_Distance_constraint_stats_list.Viol_average_violations_only 0.0645
_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 21 ILE 2.882 0.194 12 0 "[ . 1 . 2]"
1 22 LYS 0.908 0.067 8 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 1.662 0.151 20 0 "[ . 1 . 2]"
1 32 LYS 1.428 0.078 20 0 "[ . 1 . 2]"
1 33 ALA 0.298 0.066 1 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.229 0.062 16 0 "[ . 1 . 2]"
1 36 VAL 3.394 0.101 2 0 "[ . 1 . 2]"
1 37 LEU 0.442 0.066 1 0 "[ . 1 . 2]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.229 0.062 16 0 "[ . 1 . 2]"
1 40 ARG 1.966 0.101 2 0 "[ . 1 . 2]"
1 41 HIS 0.144 0.044 13 0 "[ . 1 . 2]"
1 47 TYR 6.350 0.247 18 0 "[ . 1 . 2]"
1 49 ASP 4.825 0.181 10 0 "[ . 1 . 2]"
1 51 ILE 2.198 0.190 13 0 "[ . 1 . 2]"
1 79 GLN 2.198 0.190 13 0 "[ . 1 . 2]"
1 80 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 MET 4.825 0.181 10 0 "[ . 1 . 2]"
1 82 ILE 2.882 0.194 12 0 "[ . 1 . 2]"
1 83 ARG 6.350 0.247 18 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ASP 0.036 0.036 8 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 GLN 0.027 0.027 12 0 "[ . 1 . 2]"
1 91 ARG 0.069 0.021 9 0 "[ . 1 . 2]"
1 92 LEU 1.485 0.139 7 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ILE 0.139 0.039 18 0 "[ . 1 . 2]"
1 95 GLN 0.069 0.021 9 0 "[ . 1 . 2]"
1 96 LYS 1.449 0.139 7 0 "[ . 1 . 2]"
1 98 LEU 0.112 0.039 18 0 "[ . 1 . 2]"
1 107 ILE 0.239 0.042 4 0 "[ . 1 . 2]"
1 114 CYS 0.239 0.042 4 0 "[ . 1 . 2]"
1 115 ASP 1.662 0.151 20 0 "[ . 1 . 2]"
1 117 ILE 0.908 0.067 8 0 "[ . 1 . 2]"
1 122 GLU 0.603 0.059 7 0 "[ . 1 . 2]"
1 123 ASP 0.164 0.032 18 0 "[ . 1 . 2]"
1 124 GLU 1.305 0.086 18 0 "[ . 1 . 2]"
1 125 GLU 0.147 0.046 9 0 "[ . 1 . 2]"
1 126 LYS 0.603 0.059 7 0 "[ . 1 . 2]"
1 127 ASN 0.510 0.042 14 0 "[ . 1 . 2]"
1 128 TYR 2.090 0.086 18 0 "[ . 1 . 2]"
1 129 TRP 0.147 0.046 9 0 "[ . 1 . 2]"
1 130 ASN 1.520 0.153 14 0 "[ . 1 . 2]"
1 131 TYR 0.629 0.045 4 0 "[ . 1 . 2]"
1 132 ILE 0.863 0.067 9 0 "[ . 1 . 2]"
1 133 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 PHE 1.520 0.153 14 0 "[ . 1 . 2]"
1 135 LYS 0.283 0.045 4 0 "[ . 1 . 2]"
1 136 LYS 0.078 0.022 17 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 32 LYS O 1 36 VAL H 2.000 . 2.300 1.765 1.744 1.784 0.056 13 0 "[ . 1 . 2]" 2
2 1 32 LYS O 1 36 VAL N 3.000 2.700 3.300 2.664 2.622 2.684 0.078 20 0 "[ . 1 . 2]" 2
3 1 33 ALA O 1 37 LEU H 2.000 . 2.300 1.835 1.734 1.999 0.066 1 0 "[ . 1 . 2]" 2
4 1 33 ALA O 1 37 LEU N 3.000 2.700 3.300 2.777 2.699 2.856 0.001 1 0 "[ . 1 . 2]" 2
5 1 34 GLU O 1 38 ALA H 2.000 . 2.300 2.091 1.843 2.259 . 0 0 "[ . 1 . 2]" 2
6 1 34 GLU O 1 38 ALA N 3.000 2.700 3.300 2.995 2.788 3.162 . 0 0 "[ . 1 . 2]" 2
7 1 35 VAL O 1 39 VAL H 2.000 . 2.300 2.297 2.242 2.362 0.062 16 0 "[ . 1 . 2]" 2
8 1 35 VAL O 1 39 VAL N 3.000 2.700 3.300 3.233 3.170 3.301 0.001 16 0 "[ . 1 . 2]" 2
9 1 36 VAL O 1 40 ARG H 2.000 . 2.300 1.729 1.699 1.867 0.101 2 0 "[ . 1 . 2]" 2
10 1 36 VAL O 1 40 ARG N 3.000 2.700 3.300 2.677 2.646 2.712 0.054 9 0 "[ . 1 . 2]" 2
11 1 37 LEU O 1 41 HIS N 3.000 2.700 3.300 2.848 2.656 3.103 0.044 13 0 "[ . 1 . 2]" 2
12 1 87 SER O 1 91 ARG H 2.000 . 2.300 1.954 1.807 2.070 . 0 0 "[ . 1 . 2]" 2
13 1 87 SER O 1 91 ARG N 3.000 2.700 3.300 2.909 2.773 3.017 . 0 0 "[ . 1 . 2]" 2
14 1 88 ASP O 1 92 LEU H 2.000 . 2.300 1.989 1.839 2.336 0.036 8 0 "[ . 1 . 2]" 2
15 1 88 ASP O 1 92 LEU N 3.000 2.700 3.300 2.949 2.817 3.116 . 0 0 "[ . 1 . 2]" 2
16 1 89 GLU O 1 93 ALA H 2.000 . 2.300 2.020 1.912 2.143 . 0 0 "[ . 1 . 2]" 2
17 1 89 GLU O 1 93 ALA N 3.000 2.700 3.300 2.966 2.859 3.071 . 0 0 "[ . 1 . 2]" 2
18 1 90 GLN O 1 94 ILE H 2.000 . 2.300 2.114 1.869 2.327 0.027 12 0 "[ . 1 . 2]" 2
19 1 90 GLN O 1 94 ILE N 3.000 2.700 3.300 2.935 2.804 3.076 . 0 0 "[ . 1 . 2]" 2
20 1 91 ARG O 1 95 GLN H 2.000 . 2.300 1.876 1.779 2.312 0.021 9 0 "[ . 1 . 2]" 2
21 1 91 ARG O 1 95 GLN N 3.000 2.700 3.300 2.788 2.687 3.238 0.013 9 0 "[ . 1 . 2]" 2
22 1 92 LEU O 1 96 LYS H 2.000 . 2.300 2.372 2.326 2.439 0.139 7 0 "[ . 1 . 2]" 2
23 1 92 LEU O 1 96 LYS N 3.000 2.700 3.300 3.201 3.152 3.244 . 0 0 "[ . 1 . 2]" 2
24 1 94 ILE O 1 98 LEU H 2.000 . 2.300 1.973 1.761 2.287 0.039 18 0 "[ . 1 . 2]" 2
25 1 94 ILE O 1 98 LEU N 3.000 2.700 3.300 2.906 2.667 3.230 0.033 11 0 "[ . 1 . 2]" 2
26 1 122 GLU O 1 126 LYS H 2.000 . 2.300 1.771 1.741 1.808 0.059 7 0 "[ . 1 . 2]" 2
27 1 122 GLU O 1 126 LYS N 3.000 2.700 3.300 2.723 2.688 2.760 0.012 7 0 "[ . 1 . 2]" 2
28 1 123 ASP O 1 127 ASN H 2.000 . 2.300 2.296 2.217 2.332 0.032 18 0 "[ . 1 . 2]" 2
29 1 123 ASP O 1 127 ASN N 3.000 2.700 3.300 3.100 3.052 3.129 . 0 0 "[ . 1 . 2]" 2
30 1 124 GLU O 1 128 TYR H 2.000 . 2.300 1.739 1.714 1.762 0.086 18 0 "[ . 1 . 2]" 2
31 1 124 GLU O 1 128 TYR N 3.000 2.700 3.300 2.704 2.669 2.732 0.031 18 0 "[ . 1 . 2]" 2
32 1 125 GLU O 1 129 TRP H 2.000 . 2.300 1.814 1.754 1.883 0.046 9 0 "[ . 1 . 2]" 2
33 1 125 GLU O 1 129 TRP N 3.000 2.700 3.300 2.783 2.726 2.850 . 0 0 "[ . 1 . 2]" 2
34 1 126 LYS O 1 130 ASN N 3.000 2.700 3.300 2.990 2.921 3.047 . 0 0 "[ . 1 . 2]" 2
35 1 127 ASN O 1 131 TYR H 2.000 . 2.300 1.885 1.820 1.962 . 0 0 "[ . 1 . 2]" 2
36 1 127 ASN O 1 131 TYR N 3.000 2.700 3.300 2.687 2.658 2.757 0.042 14 0 "[ . 1 . 2]" 2
37 1 128 TYR O 1 132 ILE H 2.000 . 2.300 1.761 1.733 1.777 0.067 9 0 "[ . 1 . 2]" 2
38 1 128 TYR O 1 132 ILE N 3.000 2.700 3.300 2.726 2.696 2.741 0.004 9 0 "[ . 1 . 2]" 2
39 1 129 TRP O 1 133 LYS H 2.000 . 2.300 1.897 1.833 1.951 . 0 0 "[ . 1 . 2]" 2
40 1 129 TRP O 1 133 LYS N 3.000 2.700 3.300 2.809 2.757 2.854 . 0 0 "[ . 1 . 2]" 2
41 1 130 ASN O 1 134 PHE H 2.000 . 2.300 2.143 2.013 2.218 . 0 0 "[ . 1 . 2]" 2
42 1 130 ASN O 1 134 PHE N 3.000 2.700 3.300 2.624 2.547 2.664 0.153 14 0 "[ . 1 . 2]" 2
43 1 131 TYR O 1 135 LYS H 2.000 . 2.300 1.809 1.755 1.906 0.045 4 0 "[ . 1 . 2]" 2
44 1 131 TYR O 1 135 LYS N 3.000 2.700 3.300 2.719 2.668 2.800 0.032 4 0 "[ . 1 . 2]" 2
45 1 132 ILE O 1 136 LYS H 2.000 . 2.300 1.840 1.790 1.914 0.010 11 0 "[ . 1 . 2]" 2
46 1 132 ILE O 1 136 LYS N 3.000 2.700 3.300 2.737 2.678 2.842 0.022 17 0 "[ . 1 . 2]" 2
47 1 21 ILE H 1 82 ILE O 2.000 . 2.300 2.444 2.396 2.494 0.194 12 0 "[ . 1 . 2]" 2
48 1 21 ILE N 1 82 ILE O 3.000 2.700 3.300 3.195 3.144 3.239 . 0 0 "[ . 1 . 2]" 2
49 1 23 ILE H 1 80 ALA O 2.000 . 2.300 2.184 2.081 2.300 . 0 0 "[ . 1 . 2]" 2
50 1 23 ILE N 1 80 ALA O 3.000 2.700 3.300 3.011 2.901 3.112 . 0 0 "[ . 1 . 2]" 2
51 1 47 TYR H 1 83 ARG O 2.000 . 2.300 2.528 2.506 2.547 0.247 18 0 "[ . 1 . 2]" 2
52 1 47 TYR N 1 83 ARG O 3.000 2.700 3.300 2.611 2.567 2.663 0.133 12 0 "[ . 1 . 2]" 2
53 1 49 ASP H 1 81 MET O 2.000 . 2.300 1.727 1.672 1.812 0.128 4 0 "[ . 1 . 2]" 2
54 1 49 ASP N 1 81 MET O 3.000 2.700 3.300 2.532 2.519 2.557 0.181 10 0 "[ . 1 . 2]" 2
55 1 51 ILE H 1 79 GLN O 2.000 . 2.300 2.410 2.356 2.490 0.190 13 0 "[ . 1 . 2]" 2
56 1 51 ILE N 1 79 GLN O 3.000 2.700 3.300 3.207 3.095 3.293 . 0 0 "[ . 1 . 2]" 2
57 1 107 ILE O 1 114 CYS H 2.000 . 2.300 1.809 1.758 1.893 0.042 4 0 "[ . 1 . 2]" 2
58 1 107 ILE O 1 114 CYS N 3.000 2.700 3.300 2.747 2.682 2.828 0.018 10 0 "[ . 1 . 2]" 2
59 1 24 ILE O 1 115 ASP H 2.000 . 2.300 2.383 2.330 2.451 0.151 20 0 "[ . 1 . 2]" 2
60 1 24 ILE O 1 115 ASP N 3.000 2.700 3.300 3.166 3.122 3.199 . 0 0 "[ . 1 . 2]" 2
61 1 22 LYS O 1 117 ILE H 2.000 . 2.300 1.775 1.733 1.873 0.067 8 0 "[ . 1 . 2]" 2
62 1 22 LYS O 1 117 ILE N 3.000 2.700 3.300 2.690 2.653 2.746 0.047 20 0 "[ . 1 . 2]" 2
stop_
save_
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