NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
497990 |
2l8r   |
17421 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l8r
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 1202
_Distance_constraint_stats_list.Viol_count 1492
_Distance_constraint_stats_list.Viol_total 1714.910
_Distance_constraint_stats_list.Viol_max 0.282
_Distance_constraint_stats_list.Viol_rms 0.0181
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0036
_Distance_constraint_stats_list.Viol_average_violations_only 0.0575
_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 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.935 0.118 7 0 "[ . 1 . 2]"
1 9 GLU 2.061 0.161 18 0 "[ . 1 . 2]"
1 10 GLY 1.126 0.161 18 0 "[ . 1 . 2]"
1 11 SER 0.105 0.031 18 0 "[ . 1 . 2]"
1 12 ARG 0.437 0.148 5 0 "[ . 1 . 2]"
1 13 ILE 0.085 0.062 12 0 "[ . 1 . 2]"
1 14 THR 0.143 0.045 8 0 "[ . 1 . 2]"
1 15 TYR 1.098 0.168 4 0 "[ . 1 . 2]"
1 16 VAL 1.877 0.086 7 0 "[ . 1 . 2]"
1 17 LYS 2.705 0.130 17 0 "[ . 1 . 2]"
1 18 GLY 2.089 0.175 19 0 "[ . 1 . 2]"
1 19 ASP 2.726 0.132 15 0 "[ . 1 . 2]"
1 20 LEU 0.467 0.056 16 0 "[ . 1 . 2]"
1 21 PHE 0.485 0.056 16 0 "[ . 1 . 2]"
1 22 ALA 0.566 0.085 15 0 "[ . 1 . 2]"
1 23 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.560 0.076 13 0 "[ . 1 . 2]"
1 25 LYS 1.155 0.112 6 0 "[ . 1 . 2]"
1 26 THR 1.055 0.101 8 0 "[ . 1 . 2]"
1 27 ASP 0.641 0.076 13 0 "[ . 1 . 2]"
1 28 SER 1.413 0.166 3 0 "[ . 1 . 2]"
1 29 LEU 1.481 0.098 2 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 HIS 1.768 0.112 9 0 "[ . 1 . 2]"
1 32 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 2.254 0.162 11 0 "[ . 1 . 2]"
1 35 GLU 0.730 0.146 4 0 "[ . 1 . 2]"
1 36 ASP 0.337 0.067 14 0 "[ . 1 . 2]"
1 37 CYS 0.617 0.119 20 0 "[ . 1 . 2]"
1 38 ARG 0.872 0.152 13 0 "[ . 1 . 2]"
1 39 MET 3.221 0.120 19 0 "[ . 1 . 2]"
1 40 GLY 0.457 0.124 15 0 "[ . 1 . 2]"
1 41 ALA 0.946 0.144 20 0 "[ . 1 . 2]"
1 42 GLY 0.488 0.144 20 0 "[ . 1 . 2]"
1 43 ILE 0.018 0.018 15 0 "[ . 1 . 2]"
1 44 ALA 0.606 0.100 14 0 "[ . 1 . 2]"
1 45 VAL 0.439 0.101 10 0 "[ . 1 . 2]"
1 46 LEU 0.221 0.221 11 0 "[ . 1 . 2]"
1 47 PHE 1.959 0.117 16 0 "[ . 1 . 2]"
1 48 LYS 3.862 0.134 8 0 "[ . 1 . 2]"
1 49 LYS 2.417 0.176 7 0 "[ . 1 . 2]"
1 50 LYS 0.836 0.117 16 0 "[ . 1 . 2]"
1 51 PHE 1.443 0.196 4 0 "[ . 1 . 2]"
1 52 GLY 1.443 0.196 4 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.698 0.215 11 0 "[ . 1 . 2]"
1 55 GLN 3.938 0.165 14 0 "[ . 1 . 2]"
1 56 GLU 1.404 0.199 18 0 "[ . 1 . 2]"
1 57 LEU 0.500 0.061 16 0 "[ . 1 . 2]"
1 58 LEU 0.251 0.085 13 0 "[ . 1 . 2]"
1 59 ASN 1.056 0.199 18 0 "[ . 1 . 2]"
1 60 GLN 0.824 0.176 5 0 "[ . 1 . 2]"
1 61 GLN 1.179 0.260 11 0 "[ . 1 . 2]"
1 62 LYS 4.186 0.247 4 0 "[ . 1 . 2]"
1 63 LYS 2.064 0.247 4 0 "[ . 1 . 2]"
1 64 SER 0.063 0.030 6 0 "[ . 1 . 2]"
1 65 GLY 0.052 0.035 16 0 "[ . 1 . 2]"
1 66 GLU 0.735 0.237 8 0 "[ . 1 . 2]"
1 67 VAL 0.146 0.092 11 0 "[ . 1 . 2]"
1 68 ALA 0.001 0.001 9 0 "[ . 1 . 2]"
1 69 VAL 2.394 0.160 7 0 "[ . 1 . 2]"
1 70 LEU 0.101 0.038 14 0 "[ . 1 . 2]"
1 71 LYS 3.814 0.241 17 0 "[ . 1 . 2]"
1 72 ARG 2.406 0.241 17 0 "[ . 1 . 2]"
1 73 ASP 0.008 0.008 3 0 "[ . 1 . 2]"
1 74 GLY 0.008 0.008 3 0 "[ . 1 . 2]"
1 75 ARG 1.737 0.166 3 0 "[ . 1 . 2]"
1 76 TYR 2.187 0.137 14 0 "[ . 1 . 2]"
1 77 ILE 2.394 0.160 7 0 "[ . 1 . 2]"
1 78 TYR 0.269 0.047 10 0 "[ . 1 . 2]"
1 79 TYR 2.031 0.112 9 0 "[ . 1 . 2]"
1 80 LEU 0.023 0.023 18 0 "[ . 1 . 2]"
1 81 ILE 0.161 0.033 14 0 "[ . 1 . 2]"
1 82 THR 1.871 0.162 11 0 "[ . 1 . 2]"
1 83 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 1.850 0.149 5 0 "[ . 1 . 2]"
1 85 ARG 0.744 0.099 5 0 "[ . 1 . 2]"
1 86 ALA 0.372 0.135 10 0 "[ . 1 . 2]"
1 87 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 HIS 1.970 0.149 5 0 "[ . 1 . 2]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 PRO 0.731 0.139 17 0 "[ . 1 . 2]"
1 91 THR 1.897 0.185 10 0 "[ . 1 . 2]"
1 92 TYR 0.606 0.063 14 0 "[ . 1 . 2]"
1 93 GLU 0.065 0.043 7 0 "[ . 1 . 2]"
1 94 ASN 0.386 0.069 20 0 "[ . 1 . 2]"
1 95 LEU 0.621 0.101 7 0 "[ . 1 . 2]"
1 96 GLN 1.099 0.246 12 0 "[ . 1 . 2]"
1 97 LYS 0.625 0.180 4 0 "[ . 1 . 2]"
1 98 SER 0.006 0.006 12 0 "[ . 1 . 2]"
1 99 LEU 0.387 0.246 12 0 "[ . 1 . 2]"
1 100 GLU 0.084 0.034 12 0 "[ . 1 . 2]"
1 101 ALA 0.327 0.062 6 0 "[ . 1 . 2]"
1 102 MET 2.006 0.199 14 0 "[ . 1 . 2]"
1 103 LYS 6.313 0.282 8 0 "[ . 1 . 2]"
1 104 SER 2.012 0.173 11 0 "[ . 1 . 2]"
1 105 HIS 2.285 0.123 12 0 "[ . 1 . 2]"
1 106 CYS 0.016 0.016 4 0 "[ . 1 . 2]"
1 107 LEU 0.116 0.034 7 0 "[ . 1 . 2]"
1 108 LYS 0.513 0.050 5 0 "[ . 1 . 2]"
1 109 ASN 0.496 0.064 6 0 "[ . 1 . 2]"
1 110 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 VAL 1.893 0.123 12 0 "[ . 1 . 2]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ASP 0.303 0.052 6 0 "[ . 1 . 2]"
1 114 LEU 1.785 0.169 18 0 "[ . 1 . 2]"
1 115 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 MET 1.785 0.169 18 0 "[ . 1 . 2]"
1 117 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.079 0.052 10 0 "[ . 1 . 2]"
1 119 ILE 0.399 0.117 17 0 "[ . 1 . 2]"
1 120 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 CYS 0.746 0.201 6 0 "[ . 1 . 2]"
1 122 GLY 0.440 0.117 17 0 "[ . 1 . 2]"
1 123 LEU 0.067 0.067 10 0 "[ . 1 . 2]"
1 124 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 ARG 4.048 0.214 2 0 "[ . 1 . 2]"
1 126 LEU 0.663 0.201 6 0 "[ . 1 . 2]"
1 127 GLN 1.846 0.167 11 0 "[ . 1 . 2]"
1 128 TRP 2.474 0.133 10 0 "[ . 1 . 2]"
1 129 GLU 0.124 0.072 9 0 "[ . 1 . 2]"
1 130 ASN 1.686 0.167 11 0 "[ . 1 . 2]"
1 131 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 132 SER 2.320 0.133 10 0 "[ . 1 . 2]"
1 133 ALA 0.394 0.085 14 0 "[ . 1 . 2]"
1 134 MET 1.294 0.120 2 0 "[ . 1 . 2]"
1 135 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 136 GLU 0.394 0.085 14 0 "[ . 1 . 2]"
1 137 GLU 1.261 0.120 2 0 "[ . 1 . 2]"
1 138 VAL 0.049 0.049 2 0 "[ . 1 . 2]"
1 139 PHE 0.621 0.135 4 0 "[ . 1 . 2]"
1 140 GLU 2.075 0.132 6 0 "[ . 1 . 2]"
1 141 ALA 2.044 0.132 6 0 "[ . 1 . 2]"
1 142 THR 0.094 0.062 11 0 "[ . 1 . 2]"
1 143 ASP 0.023 0.009 15 0 "[ . 1 . 2]"
1 144 ILE 0.023 0.009 15 0 "[ . 1 . 2]"
1 145 LYS 1.160 0.139 20 0 "[ . 1 . 2]"
1 146 ILE 0.922 0.139 20 0 "[ . 1 . 2]"
1 147 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 148 VAL 0.985 0.168 4 0 "[ . 1 . 2]"
1 149 TYR 0.850 0.078 12 0 "[ . 1 . 2]"
1 150 THR 0.431 0.175 19 0 "[ . 1 . 2]"
1 151 LEU 2.248 0.132 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 GLU H 1 6 GLU QG . . 4.300 2.995 2.044 4.263 . 0 0 "[ . 1 . 2]" 1
2 1 6 GLU QB 1 7 ASP H . . 4.310 3.185 1.905 3.943 . 0 0 "[ . 1 . 2]" 1
3 1 6 GLU HB2 1 7 ASP H . . 5.020 3.829 1.923 4.480 . 0 0 "[ . 1 . 2]" 1
4 1 6 GLU HB3 1 7 ASP H . . 5.020 3.630 2.058 4.446 . 0 0 "[ . 1 . 2]" 1
5 1 7 ASP H 1 7 ASP HB2 . . 4.100 2.951 2.442 4.082 . 0 0 "[ . 1 . 2]" 1
6 1 7 ASP H 1 7 ASP QB . . 3.420 2.680 2.310 3.404 . 0 0 "[ . 1 . 2]" 1
7 1 7 ASP H 1 7 ASP HB3 . . 4.100 3.485 2.524 4.056 . 0 0 "[ . 1 . 2]" 1
8 1 7 ASP HA 1 8 PRO QD . . 3.140 2.014 1.902 2.294 . 0 0 "[ . 1 . 2]" 1
9 1 7 ASP QB 1 8 PRO QD . . 4.230 3.153 1.973 3.812 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HA 1 9 GLU H . . 3.420 2.325 2.016 3.508 0.088 15 0 "[ . 1 . 2]" 1
11 1 8 PRO QB 1 9 GLU H . . 3.190 2.947 1.942 3.308 0.118 7 0 "[ . 1 . 2]" 1
12 1 8 PRO HB2 1 9 GLU H . . 3.690 3.253 1.952 3.768 0.078 7 0 "[ . 1 . 2]" 1
13 1 8 PRO HB3 1 9 GLU H . . 3.690 3.574 3.383 3.739 0.049 2 0 "[ . 1 . 2]" 1
14 1 9 GLU H 1 9 GLU QB . . 3.500 2.623 2.239 3.264 . 0 0 "[ . 1 . 2]" 1
15 1 9 GLU H 1 10 GLY H . . 3.780 3.106 2.130 3.941 0.161 18 0 "[ . 1 . 2]" 1
16 1 9 GLU HA 1 10 GLY H . . 3.380 2.725 1.928 3.469 0.089 15 0 "[ . 1 . 2]" 1
17 1 9 GLU QB 1 9 GLU QG . . 2.260 2.039 1.987 2.090 . 0 0 "[ . 1 . 2]" 1
18 1 9 GLU HB2 1 10 GLY H . . 4.820 3.710 2.049 4.549 . 0 0 "[ . 1 . 2]" 1
19 1 9 GLU HB3 1 10 GLY H . . 4.820 3.735 1.927 4.428 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLY QA 1 11 SER H . . 3.120 2.321 2.150 2.640 . 0 0 "[ . 1 . 2]" 1
21 1 11 SER H 1 11 SER HB2 . . 3.820 3.061 2.451 3.775 . 0 0 "[ . 1 . 2]" 1
22 1 11 SER H 1 11 SER QB . . 3.200 2.724 2.295 3.098 . 0 0 "[ . 1 . 2]" 1
23 1 11 SER H 1 11 SER HB3 . . 3.820 3.298 2.460 3.851 0.031 18 0 "[ . 1 . 2]" 1
24 1 11 SER H 1 12 ARG H . . 4.590 4.054 2.390 4.512 . 0 0 "[ . 1 . 2]" 1
25 1 11 SER HA 1 12 ARG H . . 3.310 2.446 2.135 3.325 0.015 4 0 "[ . 1 . 2]" 1
26 1 11 SER QB 1 12 ARG H . . 4.310 3.223 2.093 4.082 . 0 0 "[ . 1 . 2]" 1
27 1 12 ARG H 1 12 ARG HB2 . . 3.790 2.668 2.393 3.888 0.098 17 0 "[ . 1 . 2]" 1
28 1 12 ARG H 1 12 ARG HB3 . . 3.790 3.599 2.758 3.732 . 0 0 "[ . 1 . 2]" 1
29 1 12 ARG H 1 12 ARG HG2 . . 4.250 3.292 1.947 4.211 . 0 0 "[ . 1 . 2]" 1
30 1 12 ARG H 1 12 ARG HG3 . . 4.250 3.330 2.049 4.340 0.090 17 0 "[ . 1 . 2]" 1
31 1 12 ARG H 1 13 ILE H . . 3.600 2.542 2.013 3.176 . 0 0 "[ . 1 . 2]" 1
32 1 12 ARG HA 1 12 ARG QD . . 4.080 3.362 2.003 4.228 0.148 5 0 "[ . 1 . 2]" 1
33 1 12 ARG QB 1 12 ARG HE . . 4.830 3.395 1.978 4.221 . 0 0 "[ . 1 . 2]" 1
34 1 12 ARG QB 1 13 ILE H . . 3.910 2.390 2.006 3.375 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG HB2 1 13 ILE H . . 4.470 2.447 2.025 3.636 . 0 0 "[ . 1 . 2]" 1
36 1 12 ARG HB3 1 13 ILE H . . 4.470 3.454 3.054 4.048 . 0 0 "[ . 1 . 2]" 1
37 1 12 ARG QG 1 13 ILE H . . 4.350 3.815 1.709 4.412 0.062 12 0 "[ . 1 . 2]" 1
38 1 13 ILE H 1 13 ILE HB . . 3.330 2.633 2.437 2.866 . 0 0 "[ . 1 . 2]" 1
39 1 13 ILE H 1 13 ILE HG12 . . 4.510 3.914 2.660 4.345 . 0 0 "[ . 1 . 2]" 1
40 1 13 ILE HA 1 14 THR H . . 3.310 2.072 1.982 2.245 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE HA 1 146 ILE HB . . 3.970 2.832 2.576 3.212 . 0 0 "[ . 1 . 2]" 1
42 1 13 ILE HA 1 147 THR HA . . 4.750 4.165 3.731 4.501 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE HB 1 14 THR H . . 4.330 4.218 3.970 4.327 . 0 0 "[ . 1 . 2]" 1
44 1 14 THR H 1 14 THR HB . . 3.860 2.545 2.434 2.802 . 0 0 "[ . 1 . 2]" 1
45 1 14 THR H 1 147 THR HA . . 4.000 2.577 2.354 2.865 . 0 0 "[ . 1 . 2]" 1
46 1 14 THR H 1 148 VAL H . . 4.400 3.360 2.919 3.814 . 0 0 "[ . 1 . 2]" 1
47 1 14 THR HA 1 15 TYR H . . 3.190 2.182 2.143 2.213 . 0 0 "[ . 1 . 2]" 1
48 1 14 THR HA 1 148 VAL H . . 4.890 4.849 4.646 4.935 0.045 8 0 "[ . 1 . 2]" 1
49 1 14 THR HB 1 15 TYR H . . 4.400 4.242 4.103 4.375 . 0 0 "[ . 1 . 2]" 1
50 1 14 THR HB 1 147 THR HA . . 4.070 2.207 1.838 2.458 . 0 0 "[ . 1 . 2]" 1
51 1 15 TYR H 1 15 TYR HB2 . . 3.950 2.424 2.242 2.504 . 0 0 "[ . 1 . 2]" 1
52 1 15 TYR H 1 15 TYR QB . . 3.410 2.380 2.153 2.465 . 0 0 "[ . 1 . 2]" 1
53 1 15 TYR H 1 15 TYR HB3 . . 3.950 3.535 2.698 3.675 . 0 0 "[ . 1 . 2]" 1
54 1 15 TYR H 1 15 TYR QD . . 3.840 2.891 2.462 4.001 0.161 8 0 "[ . 1 . 2]" 1
55 1 15 TYR HA 1 15 TYR QD . . 3.680 2.838 2.471 3.059 . 0 0 "[ . 1 . 2]" 1
56 1 15 TYR HA 1 16 VAL H . . 3.250 2.132 2.075 2.229 . 0 0 "[ . 1 . 2]" 1
57 1 15 TYR QB 1 16 VAL H . . 4.120 3.426 3.194 3.860 . 0 0 "[ . 1 . 2]" 1
58 1 15 TYR HB2 1 16 VAL H . . 4.820 4.379 4.245 4.599 . 0 0 "[ . 1 . 2]" 1
59 1 15 TYR HB3 1 16 VAL H . . 4.820 3.582 3.302 4.147 . 0 0 "[ . 1 . 2]" 1
60 1 15 TYR QD 1 16 VAL H . . 4.970 4.175 3.779 4.380 . 0 0 "[ . 1 . 2]" 1
61 1 15 TYR QD 1 148 VAL HB . . 4.940 4.787 4.482 5.108 0.168 4 0 "[ . 1 . 2]" 1
62 1 15 TYR QE 1 128 TRP HE1 . . 3.670 2.196 1.789 3.148 . 0 0 "[ . 1 . 2]" 1
63 1 15 TYR QE 1 128 TRP HZ2 . . 3.500 2.626 2.017 3.408 . 0 0 "[ . 1 . 2]" 1
64 1 15 TYR QE 1 148 VAL HB . . 4.970 4.940 4.705 5.034 0.064 2 0 "[ . 1 . 2]" 1
65 1 16 VAL H 1 16 VAL HB . . 3.720 3.097 2.667 3.272 . 0 0 "[ . 1 . 2]" 1
66 1 16 VAL H 1 17 LYS H . . 4.730 4.298 4.215 4.345 . 0 0 "[ . 1 . 2]" 1
67 1 16 VAL H 1 149 TYR HA . . 4.260 3.220 2.890 3.502 . 0 0 "[ . 1 . 2]" 1
68 1 16 VAL HA 1 17 LYS H . . 3.180 2.165 2.109 2.213 . 0 0 "[ . 1 . 2]" 1
69 1 16 VAL HB 1 17 LYS H . . 3.980 4.031 4.004 4.066 0.086 7 0 "[ . 1 . 2]" 1
70 1 16 VAL HB 1 149 TYR HA . . 4.980 4.645 2.756 5.058 0.078 12 0 "[ . 1 . 2]" 1
71 1 16 VAL HB 1 149 TYR QE . . 5.190 4.926 3.261 5.263 0.073 6 0 "[ . 1 . 2]" 1
72 1 17 LYS H 1 17 LYS HB2 . . 3.510 2.610 2.401 2.863 . 0 0 "[ . 1 . 2]" 1
73 1 17 LYS H 1 17 LYS HB3 . . 3.590 3.003 2.435 3.649 0.059 4 0 "[ . 1 . 2]" 1
74 1 17 LYS H 1 17 LYS HG2 . . 4.680 4.162 3.732 4.549 . 0 0 "[ . 1 . 2]" 1
75 1 17 LYS H 1 17 LYS HG3 . . 4.680 3.703 2.550 4.687 0.007 13 0 "[ . 1 . 2]" 1
76 1 17 LYS H 1 18 GLY H . . 4.700 4.265 3.671 4.512 . 0 0 "[ . 1 . 2]" 1
77 1 17 LYS HA 1 18 GLY H . . 3.030 2.074 1.908 2.203 . 0 0 "[ . 1 . 2]" 1
78 1 17 LYS HA 1 150 THR H . . 3.940 2.626 2.269 2.907 . 0 0 "[ . 1 . 2]" 1
79 1 17 LYS HA 1 151 LEU HA . . 5.160 4.149 3.439 4.658 . 0 0 "[ . 1 . 2]" 1
80 1 17 LYS HB2 1 18 GLY H . . 4.590 4.258 4.002 4.391 . 0 0 "[ . 1 . 2]" 1
81 1 17 LYS HB3 1 17 LYS QE . . 2.740 2.104 1.978 2.810 0.070 12 0 "[ . 1 . 2]" 1
82 1 17 LYS HB3 1 18 GLY H . . 4.170 3.872 2.918 4.234 0.064 5 0 "[ . 1 . 2]" 1
83 1 17 LYS QE 1 17 LYS QG . . 3.100 2.526 2.288 2.826 . 0 0 "[ . 1 . 2]" 1
84 1 17 LYS HG2 1 18 GLY H . . 4.650 3.717 3.078 4.531 . 0 0 "[ . 1 . 2]" 1
85 1 17 LYS HG3 1 18 GLY H . . 4.650 3.988 2.939 4.780 0.130 17 0 "[ . 1 . 2]" 1
86 1 18 GLY H 1 19 ASP H . . 4.960 4.324 4.202 4.404 . 0 0 "[ . 1 . 2]" 1
87 1 18 GLY H 1 149 TYR HA . . 5.000 3.998 3.427 4.557 . 0 0 "[ . 1 . 2]" 1
88 1 18 GLY H 1 150 THR H . . 3.800 2.922 2.254 3.414 . 0 0 "[ . 1 . 2]" 1
89 1 18 GLY H 1 150 THR HB . . 4.780 4.366 3.857 4.955 0.175 19 0 "[ . 1 . 2]" 1
90 1 18 GLY H 1 151 LEU H . . 5.220 4.617 4.208 5.196 . 0 0 "[ . 1 . 2]" 1
91 1 18 GLY H 1 151 LEU HA . . 3.780 3.494 2.735 3.885 0.105 2 0 "[ . 1 . 2]" 1
92 1 19 ASP H 1 19 ASP HB2 . . 3.440 2.525 2.265 2.963 . 0 0 "[ . 1 . 2]" 1
93 1 19 ASP H 1 19 ASP HB3 . . 3.440 2.901 2.411 3.557 0.117 20 0 "[ . 1 . 2]" 1
94 1 19 ASP H 1 20 LEU H . . 5.260 4.540 4.434 4.621 . 0 0 "[ . 1 . 2]" 1
95 1 19 ASP H 1 22 ALA MB . . 4.770 3.522 3.086 4.083 . 0 0 "[ . 1 . 2]" 1
96 1 19 ASP HA 1 21 PHE H . . 4.780 4.033 3.648 4.193 . 0 0 "[ . 1 . 2]" 1
97 1 19 ASP HA 1 151 LEU HB2 . . 5.500 5.388 4.202 5.632 0.132 15 0 "[ . 1 . 2]" 1
98 1 19 ASP HA 1 151 LEU QB . . 4.790 4.575 3.138 4.907 0.117 11 0 "[ . 1 . 2]" 1
99 1 19 ASP HA 1 151 LEU HB3 . . 5.500 4.994 3.239 5.527 0.027 1 0 "[ . 1 . 2]" 1
100 1 19 ASP HA 1 151 LEU HG . . 5.360 3.153 2.110 5.378 0.018 12 0 "[ . 1 . 2]" 1
101 1 19 ASP QB 1 21 PHE H . . 4.910 3.239 2.200 3.971 . 0 0 "[ . 1 . 2]" 1
102 1 19 ASP QB 1 22 ALA H . . 4.490 3.264 2.708 3.469 . 0 0 "[ . 1 . 2]" 1
103 1 19 ASP HB2 1 22 ALA MB . . 3.960 3.521 2.644 4.045 0.085 15 0 "[ . 1 . 2]" 1
104 1 19 ASP HB3 1 22 ALA MB . . 3.960 3.108 2.441 4.025 0.065 16 0 "[ . 1 . 2]" 1
105 1 20 LEU H 1 20 LEU QB . . 3.630 2.227 2.125 2.402 . 0 0 "[ . 1 . 2]" 1
106 1 20 LEU H 1 21 PHE H . . 4.190 2.633 2.440 2.747 . 0 0 "[ . 1 . 2]" 1
107 1 20 LEU H 1 21 PHE QE . . 5.000 4.994 4.633 5.056 0.056 16 0 "[ . 1 . 2]" 1
108 1 20 LEU HA 1 149 TYR HB2 . . 4.760 2.648 2.255 3.366 . 0 0 "[ . 1 . 2]" 1
109 1 20 LEU HA 1 149 TYR QB . . 4.160 2.521 2.163 3.145 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU HA 1 149 TYR HB3 . . 4.760 3.192 2.665 3.908 . 0 0 "[ . 1 . 2]" 1
111 1 20 LEU HA 1 149 TYR QD . . 5.120 3.162 2.710 3.695 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU QB 1 149 TYR QB . . 4.610 2.598 2.171 3.866 . 0 0 "[ . 1 . 2]" 1
113 1 20 LEU HB2 1 21 PHE H . . 4.350 3.914 2.753 4.137 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU HB3 1 21 PHE H . . 4.350 2.960 2.619 3.683 . 0 0 "[ . 1 . 2]" 1
115 1 21 PHE H 1 21 PHE HB2 . . 3.970 2.456 2.407 2.494 . 0 0 "[ . 1 . 2]" 1
116 1 21 PHE H 1 21 PHE QB . . 3.470 2.419 2.374 2.453 . 0 0 "[ . 1 . 2]" 1
117 1 21 PHE H 1 21 PHE HB3 . . 3.970 3.633 3.609 3.651 . 0 0 "[ . 1 . 2]" 1
118 1 21 PHE H 1 21 PHE QD . . 3.860 2.498 2.107 2.765 . 0 0 "[ . 1 . 2]" 1
119 1 21 PHE H 1 21 PHE QE . . 4.860 4.371 4.229 4.443 . 0 0 "[ . 1 . 2]" 1
120 1 21 PHE H 1 22 ALA H . . 3.670 2.602 2.497 2.793 . 0 0 "[ . 1 . 2]" 1
121 1 21 PHE HA 1 21 PHE QD . . 3.790 2.748 2.489 3.034 . 0 0 "[ . 1 . 2]" 1
122 1 21 PHE HA 1 23 CYS H . . 4.130 3.178 2.941 3.447 . 0 0 "[ . 1 . 2]" 1
123 1 21 PHE HB2 1 22 ALA H . . 4.880 3.673 3.305 3.817 . 0 0 "[ . 1 . 2]" 1
124 1 21 PHE HB3 1 22 ALA H . . 4.880 4.289 4.067 4.331 . 0 0 "[ . 1 . 2]" 1
125 1 21 PHE QD 1 50 LYS HD2 . . 5.430 3.170 2.121 4.252 . 0 0 "[ . 1 . 2]" 1
126 1 21 PHE QD 1 50 LYS QD . . 4.720 2.699 2.052 3.799 . 0 0 "[ . 1 . 2]" 1
127 1 21 PHE QD 1 50 LYS HD3 . . 5.430 3.131 2.251 5.290 . 0 0 "[ . 1 . 2]" 1
128 1 21 PHE QD 1 50 LYS QE . . 4.370 3.126 2.163 4.013 . 0 0 "[ . 1 . 2]" 1
129 1 21 PHE QE 1 43 ILE HG12 . . 4.740 3.153 2.603 4.758 0.018 15 0 "[ . 1 . 2]" 1
130 1 21 PHE QE 1 46 LEU QB . . 4.730 2.535 2.200 3.518 . 0 0 "[ . 1 . 2]" 1
131 1 21 PHE QE 1 50 LYS QD . . 5.190 2.888 2.023 3.924 . 0 0 "[ . 1 . 2]" 1
132 1 21 PHE HZ 1 46 LEU QB . . 4.970 2.375 2.125 3.543 . 0 0 "[ . 1 . 2]" 1
133 1 21 PHE HZ 1 47 PHE QD . . 4.840 3.049 2.734 3.548 . 0 0 "[ . 1 . 2]" 1
134 1 22 ALA H 1 22 ALA MB . . 3.340 2.272 2.222 2.330 . 0 0 "[ . 1 . 2]" 1
135 1 22 ALA H 1 23 CYS H . . 3.420 2.489 2.232 2.717 . 0 0 "[ . 1 . 2]" 1
136 1 22 ALA MB 1 23 CYS H . . 4.070 3.324 2.787 3.482 . 0 0 "[ . 1 . 2]" 1
137 1 23 CYS H 1 23 CYS HB2 . . 4.100 2.958 2.408 3.620 . 0 0 "[ . 1 . 2]" 1
138 1 23 CYS H 1 23 CYS QB . . 3.470 2.571 2.372 3.361 . 0 0 "[ . 1 . 2]" 1
139 1 23 CYS H 1 23 CYS HB3 . . 4.100 3.298 2.445 4.046 . 0 0 "[ . 1 . 2]" 1
140 1 24 PRO HA 1 25 LYS H . . 3.220 2.362 2.015 2.579 . 0 0 "[ . 1 . 2]" 1
141 1 24 PRO HA 1 26 THR H . . 4.430 4.095 3.482 4.441 0.011 2 0 "[ . 1 . 2]" 1
142 1 24 PRO HB2 1 26 THR H . . 4.480 2.771 2.093 4.160 . 0 0 "[ . 1 . 2]" 1
143 1 24 PRO HB2 1 27 ASP H . . 4.900 2.854 2.651 3.544 . 0 0 "[ . 1 . 2]" 1
144 1 24 PRO HB3 1 26 THR H . . 4.790 3.416 2.888 4.466 . 0 0 "[ . 1 . 2]" 1
145 1 24 PRO HB3 1 27 ASP H . . 4.340 4.349 4.041 4.416 0.076 13 0 "[ . 1 . 2]" 1
146 1 25 LYS H 1 25 LYS HB3 . . 3.410 2.530 2.303 3.522 0.112 6 0 "[ . 1 . 2]" 1
147 1 25 LYS H 1 25 LYS QG . . 4.200 3.206 2.038 4.037 . 0 0 "[ . 1 . 2]" 1
148 1 25 LYS H 1 26 THR H . . 3.860 2.518 2.373 2.877 . 0 0 "[ . 1 . 2]" 1
149 1 25 LYS HB3 1 26 THR H . . 3.940 3.459 2.787 4.032 0.092 16 0 "[ . 1 . 2]" 1
150 1 25 LYS QD 1 25 LYS QE . . 2.330 2.069 1.997 2.101 . 0 0 "[ . 1 . 2]" 1
151 1 25 LYS QD 1 25 LYS QG . . 2.250 2.059 2.004 2.097 . 0 0 "[ . 1 . 2]" 1
152 1 25 LYS QE 1 25 LYS QG . . 3.060 2.288 2.100 2.806 . 0 0 "[ . 1 . 2]" 1
153 1 25 LYS QG 1 26 THR H . . 4.310 3.352 2.284 4.143 . 0 0 "[ . 1 . 2]" 1
154 1 25 LYS HG2 1 26 THR H . . 4.910 3.698 2.614 4.979 0.069 6 0 "[ . 1 . 2]" 1
155 1 25 LYS HG3 1 26 THR H . . 4.910 4.039 2.418 5.011 0.101 8 0 "[ . 1 . 2]" 1
156 1 26 THR H 1 27 ASP H . . 3.600 2.420 2.252 2.594 . 0 0 "[ . 1 . 2]" 1
157 1 27 ASP H 1 27 ASP HB2 . . 4.090 2.612 2.339 3.917 . 0 0 "[ . 1 . 2]" 1
158 1 27 ASP H 1 27 ASP QB . . 3.470 2.329 2.124 3.211 . 0 0 "[ . 1 . 2]" 1
159 1 27 ASP H 1 27 ASP HB3 . . 4.090 2.885 2.267 3.691 . 0 0 "[ . 1 . 2]" 1
160 1 27 ASP H 1 28 SER H . . 5.040 4.469 4.134 4.666 . 0 0 "[ . 1 . 2]" 1
161 1 27 ASP HA 1 28 SER H . . 3.350 2.251 2.004 2.540 . 0 0 "[ . 1 . 2]" 1
162 1 27 ASP HA 1 113 ASP HB2 . . 4.670 2.946 1.957 4.720 0.050 12 0 "[ . 1 . 2]" 1
163 1 27 ASP HA 1 113 ASP HB3 . . 4.670 2.717 2.109 4.198 . 0 0 "[ . 1 . 2]" 1
164 1 27 ASP QB 1 28 SER H . . 4.050 3.394 2.144 3.985 . 0 0 "[ . 1 . 2]" 1
165 1 27 ASP HB2 1 28 SER H . . 4.860 4.075 2.161 4.575 . 0 0 "[ . 1 . 2]" 1
166 1 27 ASP HB3 1 28 SER H . . 4.860 3.737 2.956 4.385 . 0 0 "[ . 1 . 2]" 1
167 1 28 SER H 1 28 SER HB2 . . 4.150 2.499 2.394 2.783 . 0 0 "[ . 1 . 2]" 1
168 1 28 SER H 1 28 SER QB . . 3.650 2.459 2.361 2.722 . 0 0 "[ . 1 . 2]" 1
169 1 28 SER H 1 28 SER HB3 . . 4.150 3.660 3.569 3.850 . 0 0 "[ . 1 . 2]" 1
170 1 28 SER H 1 28 SER HG . . 4.210 2.589 2.218 3.196 . 0 0 "[ . 1 . 2]" 1
171 1 28 SER H 1 114 LEU HA . . 4.140 2.769 1.959 3.390 . 0 0 "[ . 1 . 2]" 1
172 1 28 SER H 1 115 SER H . . 5.080 3.497 2.797 3.812 . 0 0 "[ . 1 . 2]" 1
173 1 28 SER HA 1 75 ARG QD . . 4.220 3.583 2.524 4.386 0.166 3 0 "[ . 1 . 2]" 1
174 1 28 SER HA 1 75 ARG QG . . 4.540 3.661 2.723 4.248 . 0 0 "[ . 1 . 2]" 1
175 1 28 SER HA 1 76 TYR H . . 4.580 2.987 2.583 3.547 . 0 0 "[ . 1 . 2]" 1
176 1 28 SER QB 1 29 LEU H . . 3.840 2.859 2.257 3.456 . 0 0 "[ . 1 . 2]" 1
177 1 28 SER QB 1 78 TYR QD . . 4.790 3.105 2.760 3.411 . 0 0 "[ . 1 . 2]" 1
178 1 28 SER HB2 1 78 TYR QE . . 4.220 2.590 2.324 2.945 . 0 0 "[ . 1 . 2]" 1
179 1 28 SER HB3 1 78 TYR QE . . 4.220 2.404 2.088 2.857 . 0 0 "[ . 1 . 2]" 1
180 1 28 SER HG 1 76 TYR H . . 4.130 2.959 2.692 3.667 . 0 0 "[ . 1 . 2]" 1
181 1 28 SER HG 1 76 TYR HB2 . . 5.340 3.669 3.257 3.901 . 0 0 "[ . 1 . 2]" 1
182 1 28 SER HG 1 76 TYR QB . . 4.550 3.608 3.213 3.816 . 0 0 "[ . 1 . 2]" 1
183 1 28 SER HG 1 76 TYR HB3 . . 5.340 5.341 4.925 5.406 0.066 2 0 "[ . 1 . 2]" 1
184 1 29 LEU H 1 29 LEU HG . . 4.200 2.984 2.398 4.200 . 0 0 "[ . 1 . 2]" 1
185 1 29 LEU H 1 77 ILE HA . . 4.390 3.008 2.816 3.307 . 0 0 "[ . 1 . 2]" 1
186 1 29 LEU H 1 78 TYR H . . 4.780 4.204 3.920 4.574 . 0 0 "[ . 1 . 2]" 1
187 1 29 LEU HA 1 115 SER H . . 3.840 3.236 3.037 3.425 . 0 0 "[ . 1 . 2]" 1
188 1 29 LEU QB 1 47 PHE QD . . 3.820 3.480 3.157 3.834 0.014 16 0 "[ . 1 . 2]" 1
189 1 29 LEU QB 1 47 PHE QE . . 3.660 1.876 1.795 2.166 . 0 0 "[ . 1 . 2]" 1
190 1 29 LEU HB2 1 47 PHE QD . . 4.510 3.823 3.370 4.378 . 0 0 "[ . 1 . 2]" 1
191 1 29 LEU HB2 1 47 PHE QE . . 4.170 2.501 2.325 2.943 . 0 0 "[ . 1 . 2]" 1
192 1 29 LEU HB2 1 47 PHE HZ . . 4.230 4.303 4.250 4.328 0.098 2 0 "[ . 1 . 2]" 1
193 1 29 LEU HB3 1 47 PHE QD . . 4.510 4.023 3.808 4.237 . 0 0 "[ . 1 . 2]" 1
194 1 29 LEU HB3 1 47 PHE QE . . 4.170 1.940 1.848 2.230 . 0 0 "[ . 1 . 2]" 1
195 1 29 LEU HB3 1 47 PHE HZ . . 4.230 2.823 2.607 2.985 . 0 0 "[ . 1 . 2]" 1
196 1 29 LEU HG 1 47 PHE QE . . 4.800 3.666 1.848 4.122 . 0 0 "[ . 1 . 2]" 1
197 1 30 ALA H 1 116 MET HA . . 4.600 2.848 2.597 3.094 . 0 0 "[ . 1 . 2]" 1
198 1 30 ALA H 1 116 MET ME . . 5.500 4.408 4.021 4.658 . 0 0 "[ . 1 . 2]" 1
199 1 30 ALA HA 1 31 HIS H . . 3.460 2.263 2.222 2.321 . 0 0 "[ . 1 . 2]" 1
200 1 30 ALA HA 1 78 TYR H . . 4.360 2.382 2.222 2.502 . 0 0 "[ . 1 . 2]" 1
201 1 30 ALA HA 1 78 TYR HB2 . . 4.920 2.225 2.020 2.613 . 0 0 "[ . 1 . 2]" 1
202 1 30 ALA HA 1 78 TYR QB . . 4.080 2.209 2.010 2.584 . 0 0 "[ . 1 . 2]" 1
203 1 30 ALA HA 1 78 TYR HB3 . . 4.920 3.763 3.607 4.076 . 0 0 "[ . 1 . 2]" 1
204 1 30 ALA MB 1 31 HIS H . . 3.700 2.623 2.493 2.718 . 0 0 "[ . 1 . 2]" 1
205 1 30 ALA MB 1 78 TYR H . . 4.530 3.395 3.057 3.630 . 0 0 "[ . 1 . 2]" 1
206 1 30 ALA MB 1 78 TYR HB2 . . 4.480 2.017 1.877 2.176 . 0 0 "[ . 1 . 2]" 1
207 1 30 ALA MB 1 78 TYR HB3 . . 4.480 3.119 2.963 3.217 . 0 0 "[ . 1 . 2]" 1
208 1 30 ALA MB 1 78 TYR QD . . 4.350 2.437 2.278 2.707 . 0 0 "[ . 1 . 2]" 1
209 1 30 ALA MB 1 102 MET ME . . 3.320 3.025 2.794 3.298 . 0 0 "[ . 1 . 2]" 1
210 1 30 ALA MB 1 116 MET HB2 . . 4.600 3.361 2.891 3.673 . 0 0 "[ . 1 . 2]" 1
211 1 30 ALA MB 1 116 MET QB . . 3.990 2.310 2.037 2.544 . 0 0 "[ . 1 . 2]" 1
212 1 30 ALA MB 1 116 MET HB3 . . 4.600 2.354 2.082 2.594 . 0 0 "[ . 1 . 2]" 1
213 1 30 ALA MB 1 116 MET ME . . 3.250 2.376 2.081 2.750 . 0 0 "[ . 1 . 2]" 1
214 1 30 ALA MB 1 116 MET HG2 . . 5.500 4.509 4.297 5.128 . 0 0 "[ . 1 . 2]" 1
215 1 30 ALA MB 1 116 MET QG . . 4.760 4.115 3.610 4.345 . 0 0 "[ . 1 . 2]" 1
216 1 30 ALA MB 1 116 MET HG3 . . 5.500 4.859 3.763 5.242 . 0 0 "[ . 1 . 2]" 1
217 1 31 HIS H 1 31 HIS HD1 . . 5.180 5.040 4.934 5.158 . 0 0 "[ . 1 . 2]" 1
218 1 31 HIS H 1 31 HIS HD2 . . 3.620 3.142 3.017 3.320 . 0 0 "[ . 1 . 2]" 1
219 1 31 HIS H 1 78 TYR H . . 5.380 4.162 3.936 4.364 . 0 0 "[ . 1 . 2]" 1
220 1 31 HIS H 1 79 TYR HA . . 4.460 3.314 3.141 3.473 . 0 0 "[ . 1 . 2]" 1
221 1 31 HIS H 1 80 LEU H . . 4.550 3.435 3.279 3.622 . 0 0 "[ . 1 . 2]" 1
222 1 31 HIS H 1 80 LEU HG . . 4.650 3.516 3.224 3.770 . 0 0 "[ . 1 . 2]" 1
223 1 31 HIS QB 1 32 CYS H . . 3.880 2.310 2.148 2.526 . 0 0 "[ . 1 . 2]" 1
224 1 31 HIS QB 1 47 PHE HZ . . 4.790 3.750 3.397 4.430 . 0 0 "[ . 1 . 2]" 1
225 1 31 HIS HD1 1 79 TYR QD . . 4.340 4.125 3.968 4.356 0.016 2 0 "[ . 1 . 2]" 1
226 1 31 HIS HD1 1 79 TYR QE . . 4.280 4.360 4.326 4.392 0.112 9 0 "[ . 1 . 2]" 1
227 1 31 HIS HD2 1 47 PHE QD . . 4.900 3.967 3.744 4.141 . 0 0 "[ . 1 . 2]" 1
228 1 31 HIS HD2 1 47 PHE QE . . 4.970 3.563 3.180 3.775 . 0 0 "[ . 1 . 2]" 1
229 1 31 HIS HD2 1 79 TYR HA . . 4.700 4.570 4.444 4.702 0.002 2 0 "[ . 1 . 2]" 1
230 1 31 HIS HE1 1 39 MET QG . . 4.430 3.405 2.613 3.871 . 0 0 "[ . 1 . 2]" 1
231 1 31 HIS HE1 1 44 ALA HA . . 3.410 3.061 2.662 3.400 . 0 0 "[ . 1 . 2]" 1
232 1 31 HIS HE1 1 44 ALA MB . . 3.310 2.818 2.353 3.308 . 0 0 "[ . 1 . 2]" 1
233 1 31 HIS HE1 1 47 PHE HB2 . . 3.970 3.126 2.993 3.400 . 0 0 "[ . 1 . 2]" 1
234 1 31 HIS HE1 1 47 PHE HB3 . . 3.970 3.927 3.611 3.996 0.026 5 0 "[ . 1 . 2]" 1
235 1 32 CYS HA 1 33 ILE H . . 3.450 2.233 2.173 2.322 . 0 0 "[ . 1 . 2]" 1
236 1 32 CYS HA 1 80 LEU H . . 4.290 2.576 2.223 3.097 . 0 0 "[ . 1 . 2]" 1
237 1 32 CYS HA 1 80 LEU HB2 . . 4.100 2.059 1.941 2.277 . 0 0 "[ . 1 . 2]" 1
238 1 32 CYS HA 1 80 LEU HB3 . . 4.150 3.720 3.604 3.915 . 0 0 "[ . 1 . 2]" 1
239 1 32 CYS HB2 1 33 ILE H . . 4.400 3.782 2.716 4.199 . 0 0 "[ . 1 . 2]" 1
240 1 32 CYS HB3 1 33 ILE H . . 4.400 3.510 2.676 4.224 . 0 0 "[ . 1 . 2]" 1
241 1 33 ILE H 1 80 LEU H . . 4.660 3.772 3.640 3.927 . 0 0 "[ . 1 . 2]" 1
242 1 33 ILE H 1 81 ILE HA . . 4.680 3.442 3.098 3.850 . 0 0 "[ . 1 . 2]" 1
243 1 33 ILE H 1 82 THR H . . 4.730 3.503 3.145 4.062 . 0 0 "[ . 1 . 2]" 1
244 1 33 ILE HB 1 34 SER H . . 3.630 2.103 1.977 2.347 . 0 0 "[ . 1 . 2]" 1
245 1 33 ILE HB 1 37 CYS H . . 4.910 4.427 4.049 4.880 . 0 0 "[ . 1 . 2]" 1
246 1 33 ILE HG12 1 34 SER H . . 5.220 4.496 4.341 4.669 . 0 0 "[ . 1 . 2]" 1
247 1 34 SER H 1 34 SER HG . . 5.060 3.085 2.139 4.332 . 0 0 "[ . 1 . 2]" 1
248 1 34 SER HA 1 82 THR H . . 4.670 2.722 2.301 3.053 . 0 0 "[ . 1 . 2]" 1
249 1 34 SER HA 1 82 THR HA . . 5.170 4.941 4.581 5.177 0.007 13 0 "[ . 1 . 2]" 1
250 1 34 SER HA 1 82 THR HB . . 4.190 4.283 4.236 4.352 0.162 11 0 "[ . 1 . 2]" 1
251 1 34 SER HA 1 83 LYS H . . 4.060 2.611 2.234 2.756 . 0 0 "[ . 1 . 2]" 1
252 1 34 SER QB 1 35 GLU H . . 3.660 2.539 2.256 3.450 . 0 0 "[ . 1 . 2]" 1
253 1 34 SER QB 1 85 ARG HA . . 4.100 2.924 2.310 3.832 . 0 0 "[ . 1 . 2]" 1
254 1 34 SER QB 1 86 ALA H . . 4.880 3.393 2.913 4.100 . 0 0 "[ . 1 . 2]" 1
255 1 34 SER QB 1 86 ALA HA . . 4.190 3.028 2.422 4.123 . 0 0 "[ . 1 . 2]" 1
256 1 34 SER HB2 1 35 GLU H . . 4.190 2.917 2.278 3.972 . 0 0 "[ . 1 . 2]" 1
257 1 34 SER HB2 1 36 ASP H . . 4.460 3.118 2.545 4.496 0.036 10 0 "[ . 1 . 2]" 1
258 1 34 SER HB2 1 85 ARG HA . . 4.700 3.244 2.365 4.716 0.016 10 0 "[ . 1 . 2]" 1
259 1 34 SER HB2 1 86 ALA HA . . 4.940 3.791 2.823 4.955 0.015 16 0 "[ . 1 . 2]" 1
260 1 34 SER HB3 1 35 GLU H . . 4.190 3.407 2.303 3.800 . 0 0 "[ . 1 . 2]" 1
261 1 34 SER HB3 1 36 ASP H . . 4.460 3.864 2.810 4.527 0.067 14 0 "[ . 1 . 2]" 1
262 1 34 SER HB3 1 85 ARG HA . . 4.700 3.685 2.546 4.658 . 0 0 "[ . 1 . 2]" 1
263 1 34 SER HB3 1 86 ALA HA . . 4.940 3.377 2.509 4.497 . 0 0 "[ . 1 . 2]" 1
264 1 34 SER HG 1 36 ASP H . . 5.130 4.080 2.355 5.186 0.056 19 0 "[ . 1 . 2]" 1
265 1 34 SER HG 1 86 ALA H . . 5.500 3.811 2.626 5.473 . 0 0 "[ . 1 . 2]" 1
266 1 35 GLU H 1 35 GLU QB . . 3.550 2.265 2.090 2.697 . 0 0 "[ . 1 . 2]" 1
267 1 35 GLU H 1 36 ASP H . . 4.200 2.602 2.410 2.747 . 0 0 "[ . 1 . 2]" 1
268 1 35 GLU H 1 83 LYS H . . 4.690 3.396 3.088 3.618 . 0 0 "[ . 1 . 2]" 1
269 1 35 GLU H 1 84 LYS HA . . 3.990 3.209 2.373 3.730 . 0 0 "[ . 1 . 2]" 1
270 1 35 GLU QB 1 36 ASP H . . 4.090 2.691 2.484 3.084 . 0 0 "[ . 1 . 2]" 1
271 1 35 GLU QB 1 63 LYS HA . . 4.460 3.569 2.934 4.264 . 0 0 "[ . 1 . 2]" 1
272 1 35 GLU QB 1 84 LYS HA . . 3.430 1.856 1.724 2.130 . 0 0 "[ . 1 . 2]" 1
273 1 35 GLU HB2 1 36 ASP H . . 4.780 3.537 2.599 4.243 . 0 0 "[ . 1 . 2]" 1
274 1 35 GLU HB2 1 63 LYS HA . . 5.300 4.058 2.993 5.299 . 0 0 "[ . 1 . 2]" 1
275 1 35 GLU HB2 1 84 LYS HA . . 3.930 2.452 1.855 3.419 . 0 0 "[ . 1 . 2]" 1
276 1 35 GLU HB3 1 36 ASP H . . 4.780 3.057 2.519 3.879 . 0 0 "[ . 1 . 2]" 1
277 1 35 GLU HB3 1 63 LYS HA . . 5.300 4.407 3.120 5.098 . 0 0 "[ . 1 . 2]" 1
278 1 35 GLU HB3 1 84 LYS HA . . 3.930 2.375 1.729 3.620 . 0 0 "[ . 1 . 2]" 1
279 1 35 GLU QG 1 63 LYS HA . . 3.630 2.265 1.863 2.808 . 0 0 "[ . 1 . 2]" 1
280 1 35 GLU QG 1 84 LYS HA . . 3.600 3.052 2.270 3.623 0.023 19 0 "[ . 1 . 2]" 1
281 1 35 GLU HG2 1 63 LYS HA . . 4.300 2.718 1.940 3.822 . 0 0 "[ . 1 . 2]" 1
282 1 35 GLU HG2 1 64 SER H . . 4.520 3.800 2.246 4.550 0.030 6 0 "[ . 1 . 2]" 1
283 1 35 GLU HG2 1 84 LYS HA . . 4.260 4.084 3.650 4.406 0.146 4 0 "[ . 1 . 2]" 1
284 1 35 GLU HG3 1 63 LYS HA . . 4.300 2.885 1.896 4.318 0.018 4 0 "[ . 1 . 2]" 1
285 1 35 GLU HG3 1 64 SER H . . 4.520 3.305 2.656 4.197 . 0 0 "[ . 1 . 2]" 1
286 1 35 GLU HG3 1 84 LYS HA . . 4.260 3.249 2.289 4.299 0.039 2 0 "[ . 1 . 2]" 1
287 1 36 ASP H 1 36 ASP HB2 . . 3.970 2.638 2.441 3.658 . 0 0 "[ . 1 . 2]" 1
288 1 36 ASP H 1 36 ASP HB3 . . 3.970 2.606 2.236 3.664 . 0 0 "[ . 1 . 2]" 1
289 1 36 ASP H 1 37 CYS H . . 3.710 2.524 2.415 2.722 . 0 0 "[ . 1 . 2]" 1
290 1 37 CYS H 1 37 CYS HG . . 3.830 2.752 2.517 3.842 0.012 11 0 "[ . 1 . 2]" 1
291 1 37 CYS H 1 38 ARG H . . 3.770 2.939 2.518 3.629 . 0 0 "[ . 1 . 2]" 1
292 1 37 CYS HA 1 39 MET ME . . 4.430 3.628 2.962 4.446 0.016 20 0 "[ . 1 . 2]" 1
293 1 37 CYS QB 1 58 LEU HG . . 4.780 4.087 3.435 4.865 0.085 13 0 "[ . 1 . 2]" 1
294 1 37 CYS HB2 1 39 MET ME . . 4.160 3.920 3.181 4.279 0.119 20 0 "[ . 1 . 2]" 1
295 1 37 CYS HB3 1 39 MET ME . . 4.160 2.552 1.812 3.052 . 0 0 "[ . 1 . 2]" 1
296 1 38 ARG H 1 38 ARG HB2 . . 3.640 2.549 2.360 3.683 0.043 19 0 "[ . 1 . 2]" 1
297 1 38 ARG H 1 38 ARG HB3 . . 3.640 3.551 2.254 3.711 0.071 14 0 "[ . 1 . 2]" 1
298 1 38 ARG H 1 38 ARG QD . . 4.780 4.095 3.607 4.618 . 0 0 "[ . 1 . 2]" 1
299 1 38 ARG H 1 38 ARG HG2 . . 4.480 3.402 2.156 4.098 . 0 0 "[ . 1 . 2]" 1
300 1 38 ARG H 1 38 ARG QG . . 3.630 2.722 2.113 3.782 0.152 13 0 "[ . 1 . 2]" 1
301 1 38 ARG H 1 38 ARG HG3 . . 4.480 3.272 2.389 4.440 . 0 0 "[ . 1 . 2]" 1
302 1 38 ARG HA 1 38 ARG QG . . 3.640 2.625 2.293 3.375 . 0 0 "[ . 1 . 2]" 1
303 1 38 ARG QB 1 38 ARG QD . . 3.110 2.264 2.083 2.426 . 0 0 "[ . 1 . 2]" 1
304 1 38 ARG QB 1 40 GLY H . . 4.170 3.337 2.726 3.880 . 0 0 "[ . 1 . 2]" 1
305 1 38 ARG QD 1 86 ALA H . . 4.640 3.733 1.912 4.775 0.135 10 0 "[ . 1 . 2]" 1
306 1 38 ARG QD 1 86 ALA MB . . 4.170 3.173 1.962 4.233 0.063 4 0 "[ . 1 . 2]" 1
307 1 39 MET ME 1 48 LYS H . . 4.680 4.718 4.329 4.799 0.119 10 0 "[ . 1 . 2]" 1
308 1 39 MET ME 1 48 LYS HA . . 4.050 3.810 3.453 4.130 0.080 14 0 "[ . 1 . 2]" 1
309 1 39 MET ME 1 48 LYS QG . . 3.410 3.161 2.098 3.530 0.120 19 0 "[ . 1 . 2]" 1
310 1 39 MET ME 1 54 VAL HA . . 4.050 2.717 2.031 3.620 . 0 0 "[ . 1 . 2]" 1
311 1 39 MET ME 1 79 TYR QD . . 4.270 3.930 3.171 4.362 0.092 9 0 "[ . 1 . 2]" 1
312 1 39 MET ME 1 79 TYR QE . . 3.770 3.169 2.340 3.610 . 0 0 "[ . 1 . 2]" 1
313 1 39 MET QG 1 44 ALA HA . . 3.860 3.710 3.167 3.921 0.061 4 0 "[ . 1 . 2]" 1
314 1 39 MET HG2 1 44 ALA HA . . 4.550 4.499 4.168 4.650 0.100 14 0 "[ . 1 . 2]" 1
315 1 39 MET HG2 1 44 ALA MB . . 4.030 3.030 2.489 3.471 . 0 0 "[ . 1 . 2]" 1
316 1 39 MET HG3 1 44 ALA HA . . 4.550 3.994 3.237 4.473 . 0 0 "[ . 1 . 2]" 1
317 1 39 MET HG3 1 44 ALA MB . . 4.030 2.144 1.801 2.996 . 0 0 "[ . 1 . 2]" 1
318 1 40 GLY H 1 41 ALA H . . 3.500 3.283 2.506 3.624 0.124 15 0 "[ . 1 . 2]" 1
319 1 41 ALA H 1 41 ALA MB . . 3.560 2.764 2.577 2.974 . 0 0 "[ . 1 . 2]" 1
320 1 41 ALA H 1 44 ALA MB . . 4.220 3.534 2.808 4.222 0.002 10 0 "[ . 1 . 2]" 1
321 1 41 ALA HA 1 42 GLY H . . 3.280 2.718 2.109 3.424 0.144 20 0 "[ . 1 . 2]" 1
322 1 41 ALA MB 1 42 GLY H . . 3.370 2.712 1.811 3.443 0.073 6 0 "[ . 1 . 2]" 1
323 1 41 ALA MB 1 42 GLY HA2 . . 5.160 4.146 3.738 4.573 . 0 0 "[ . 1 . 2]" 1
324 1 41 ALA MB 1 42 GLY QA . . 4.390 3.562 3.313 3.819 . 0 0 "[ . 1 . 2]" 1
325 1 41 ALA MB 1 42 GLY HA3 . . 5.160 3.894 3.659 4.195 . 0 0 "[ . 1 . 2]" 1
326 1 42 GLY H 1 43 ILE H . . 4.800 4.375 3.780 4.614 . 0 0 "[ . 1 . 2]" 1
327 1 43 ILE H 1 44 ALA H . . 4.300 2.599 2.461 2.778 . 0 0 "[ . 1 . 2]" 1
328 1 43 ILE HA 1 45 VAL H . . 4.820 3.831 3.601 4.312 . 0 0 "[ . 1 . 2]" 1
329 1 43 ILE HA 1 46 LEU H . . 4.620 3.468 3.085 3.859 . 0 0 "[ . 1 . 2]" 1
330 1 44 ALA H 1 45 VAL H . . 4.140 2.724 2.594 2.851 . 0 0 "[ . 1 . 2]" 1
331 1 44 ALA HA 1 47 PHE H . . 4.500 3.313 2.990 3.514 . 0 0 "[ . 1 . 2]" 1
332 1 44 ALA HA 1 47 PHE HB2 . . 4.770 2.932 2.469 3.152 . 0 0 "[ . 1 . 2]" 1
333 1 44 ALA HA 1 47 PHE HB3 . . 4.770 4.591 4.132 4.817 0.047 15 0 "[ . 1 . 2]" 1
334 1 44 ALA HA 1 47 PHE QD . . 4.190 2.166 1.910 2.900 . 0 0 "[ . 1 . 2]" 1
335 1 44 ALA HA 1 47 PHE QE . . 5.010 3.999 3.607 4.880 . 0 0 "[ . 1 . 2]" 1
336 1 44 ALA MB 1 45 VAL H . . 3.890 2.853 2.628 3.023 . 0 0 "[ . 1 . 2]" 1
337 1 45 VAL HA 1 48 LYS H . . 4.520 3.360 2.842 3.782 . 0 0 "[ . 1 . 2]" 1
338 1 45 VAL HA 1 48 LYS QB . . 4.050 2.611 1.959 4.083 0.033 19 0 "[ . 1 . 2]" 1
339 1 45 VAL HA 1 48 LYS QE . . 4.880 3.764 2.692 4.981 0.101 10 0 "[ . 1 . 2]" 1
340 1 46 LEU H 1 46 LEU HB2 . . 3.880 2.427 2.339 2.648 . 0 0 "[ . 1 . 2]" 1
341 1 46 LEU H 1 46 LEU QB . . 3.360 2.370 1.958 2.593 . 0 0 "[ . 1 . 2]" 1
342 1 46 LEU H 1 46 LEU HB3 . . 3.880 3.500 2.085 3.706 . 0 0 "[ . 1 . 2]" 1
343 1 46 LEU H 1 46 LEU HG . . 3.800 2.605 2.212 4.021 0.221 11 0 "[ . 1 . 2]" 1
344 1 46 LEU H 1 47 PHE H . . 3.710 2.609 2.472 2.782 . 0 0 "[ . 1 . 2]" 1
345 1 46 LEU H 1 48 LYS H . . 5.290 4.045 3.818 4.430 . 0 0 "[ . 1 . 2]" 1
346 1 46 LEU HA 1 46 LEU HG . . 3.880 2.939 2.596 3.293 . 0 0 "[ . 1 . 2]" 1
347 1 46 LEU HA 1 49 LYS H . . 5.040 3.598 3.274 4.082 . 0 0 "[ . 1 . 2]" 1
348 1 46 LEU QB 1 47 PHE H . . 3.900 2.580 2.355 2.774 . 0 0 "[ . 1 . 2]" 1
349 1 46 LEU HB2 1 47 PHE H . . 4.530 2.704 2.407 3.978 . 0 0 "[ . 1 . 2]" 1
350 1 46 LEU HB3 1 47 PHE H . . 4.530 3.559 2.728 3.847 . 0 0 "[ . 1 . 2]" 1
351 1 47 PHE H 1 47 PHE QB . . 3.670 2.420 2.323 2.497 . 0 0 "[ . 1 . 2]" 1
352 1 47 PHE H 1 47 PHE QD . . 3.800 2.533 2.246 2.763 . 0 0 "[ . 1 . 2]" 1
353 1 47 PHE H 1 48 LYS H . . 3.870 2.635 2.416 2.797 . 0 0 "[ . 1 . 2]" 1
354 1 47 PHE HA 1 47 PHE QD . . 4.410 2.960 2.801 3.055 . 0 0 "[ . 1 . 2]" 1
355 1 47 PHE HA 1 50 LYS H . . 3.830 3.432 2.969 3.635 . 0 0 "[ . 1 . 2]" 1
356 1 47 PHE HA 1 50 LYS HB2 . . 5.040 3.287 2.087 4.462 . 0 0 "[ . 1 . 2]" 1
357 1 47 PHE HA 1 50 LYS QB . . 4.420 2.878 2.076 3.243 . 0 0 "[ . 1 . 2]" 1
358 1 47 PHE HA 1 50 LYS HB3 . . 5.040 4.105 2.516 5.011 . 0 0 "[ . 1 . 2]" 1
359 1 47 PHE HA 1 51 PHE H . . 4.010 3.674 3.248 4.009 . 0 0 "[ . 1 . 2]" 1
360 1 47 PHE HA 1 51 PHE QD . . 3.930 2.481 2.043 3.415 . 0 0 "[ . 1 . 2]" 1
361 1 47 PHE HA 1 51 PHE QE . . 4.540 3.460 2.962 4.158 . 0 0 "[ . 1 . 2]" 1
362 1 47 PHE QB 1 48 LYS H . . 4.090 2.669 2.502 2.835 . 0 0 "[ . 1 . 2]" 1
363 1 47 PHE QD 1 50 LYS QD . . 5.310 4.927 3.947 5.427 0.117 16 0 "[ . 1 . 2]" 1
364 1 47 PHE QD 1 51 PHE QD . . 4.040 2.554 2.198 3.013 . 0 0 "[ . 1 . 2]" 1
365 1 48 LYS H 1 48 LYS QB . . 3.370 2.186 2.078 2.725 . 0 0 "[ . 1 . 2]" 1
366 1 48 LYS H 1 48 LYS QD . . 4.380 4.389 4.149 4.514 0.134 8 0 "[ . 1 . 2]" 1
367 1 48 LYS H 1 48 LYS QG . . 4.420 3.834 2.353 3.984 . 0 0 "[ . 1 . 2]" 1
368 1 48 LYS H 1 49 LYS H . . 3.900 2.768 2.555 2.928 . 0 0 "[ . 1 . 2]" 1
369 1 48 LYS HA 1 48 LYS QD . . 4.140 3.794 2.919 4.187 0.047 3 0 "[ . 1 . 2]" 1
370 1 48 LYS HA 1 48 LYS QG . . 3.590 2.531 2.379 3.363 . 0 0 "[ . 1 . 2]" 1
371 1 48 LYS QB 1 48 LYS QD . . 3.070 2.241 2.042 2.646 . 0 0 "[ . 1 . 2]" 1
372 1 48 LYS QB 1 49 LYS H . . 3.660 2.548 2.268 3.660 . 19 0 "[ . 1 . 2]" 1
373 1 48 LYS QD 1 48 LYS QG . . 2.320 2.037 1.988 2.099 . 0 0 "[ . 1 . 2]" 1
374 1 48 LYS QE 1 48 LYS QG . . 3.290 2.315 2.094 2.727 . 0 0 "[ . 1 . 2]" 1
375 1 48 LYS QG 1 49 LYS H . . 4.150 3.797 2.536 4.258 0.108 7 0 "[ . 1 . 2]" 1
376 1 49 LYS H 1 49 LYS HB2 . . 3.500 2.396 2.234 2.555 . 0 0 "[ . 1 . 2]" 1
377 1 49 LYS H 1 49 LYS HB3 . . 3.500 3.245 2.160 3.597 0.097 15 0 "[ . 1 . 2]" 1
378 1 49 LYS H 1 49 LYS QD . . 3.790 3.040 1.954 3.966 0.176 7 0 "[ . 1 . 2]" 1
379 1 49 LYS H 1 49 LYS HG2 . . 4.420 3.714 2.195 4.467 0.047 1 0 "[ . 1 . 2]" 1
380 1 49 LYS H 1 49 LYS HG3 . . 4.420 3.793 2.177 4.450 0.030 7 0 "[ . 1 . 2]" 1
381 1 49 LYS H 1 50 LYS H . . 3.710 2.654 2.558 2.855 . 0 0 "[ . 1 . 2]" 1
382 1 49 LYS HA 1 49 LYS QD . . 3.900 2.723 1.881 3.952 0.052 4 0 "[ . 1 . 2]" 1
383 1 49 LYS HA 1 49 LYS HG2 . . 3.910 3.325 2.543 3.754 . 0 0 "[ . 1 . 2]" 1
384 1 49 LYS HA 1 49 LYS QG . . 3.420 2.652 2.419 2.993 . 0 0 "[ . 1 . 2]" 1
385 1 49 LYS HA 1 49 LYS HG3 . . 3.910 3.080 2.473 3.828 . 0 0 "[ . 1 . 2]" 1
386 1 49 LYS QB 1 50 LYS H . . 3.530 2.556 2.197 2.788 . 0 0 "[ . 1 . 2]" 1
387 1 49 LYS HB2 1 50 LYS H . . 4.140 2.953 2.235 4.042 . 0 0 "[ . 1 . 2]" 1
388 1 49 LYS HB3 1 50 LYS H . . 4.140 3.230 2.468 3.679 . 0 0 "[ . 1 . 2]" 1
389 1 49 LYS QD 1 49 LYS QG . . 2.260 2.070 1.997 2.089 . 0 0 "[ . 1 . 2]" 1
390 1 49 LYS QD 1 50 LYS H . . 4.650 4.170 2.778 4.747 0.097 12 0 "[ . 1 . 2]" 1
391 1 49 LYS QE 1 49 LYS QG . . 3.280 2.303 2.069 2.843 . 0 0 "[ . 1 . 2]" 1
392 1 50 LYS H 1 50 LYS HB2 . . 3.810 2.523 2.423 2.645 . 0 0 "[ . 1 . 2]" 1
393 1 50 LYS H 1 50 LYS QB . . 3.110 2.388 2.206 2.585 . 0 0 "[ . 1 . 2]" 1
394 1 50 LYS H 1 50 LYS HB3 . . 3.810 3.272 2.392 3.677 . 0 0 "[ . 1 . 2]" 1
395 1 50 LYS H 1 50 LYS HD2 . . 5.180 4.458 3.972 4.987 . 0 0 "[ . 1 . 2]" 1
396 1 50 LYS H 1 50 LYS QD . . 4.470 3.985 3.175 4.394 . 0 0 "[ . 1 . 2]" 1
397 1 50 LYS H 1 50 LYS HD3 . . 5.180 4.643 3.257 4.981 . 0 0 "[ . 1 . 2]" 1
398 1 50 LYS H 1 50 LYS HG2 . . 4.450 3.746 2.133 4.429 . 0 0 "[ . 1 . 2]" 1
399 1 50 LYS H 1 50 LYS QG . . 3.900 2.823 2.119 3.950 0.050 15 0 "[ . 1 . 2]" 1
400 1 50 LYS H 1 50 LYS HG3 . . 4.450 3.078 2.254 4.471 0.021 9 0 "[ . 1 . 2]" 1
401 1 50 LYS H 1 51 PHE H . . 3.350 2.546 2.331 2.859 . 0 0 "[ . 1 . 2]" 1
402 1 50 LYS HA 1 50 LYS HD2 . . 5.010 4.505 2.999 4.867 . 0 0 "[ . 1 . 2]" 1
403 1 50 LYS HA 1 50 LYS QD . . 4.410 3.937 2.084 4.243 . 0 0 "[ . 1 . 2]" 1
404 1 50 LYS HA 1 50 LYS HD3 . . 5.010 4.392 2.126 4.686 . 0 0 "[ . 1 . 2]" 1
405 1 50 LYS QB 1 51 PHE H . . 3.640 2.815 2.502 3.076 . 0 0 "[ . 1 . 2]" 1
406 1 50 LYS HB2 1 51 PHE H . . 4.180 3.255 2.549 4.110 . 0 0 "[ . 1 . 2]" 1
407 1 50 LYS HB3 1 51 PHE H . . 4.180 3.549 2.622 4.104 . 0 0 "[ . 1 . 2]" 1
408 1 51 PHE H 1 51 PHE HB3 . . 4.090 3.757 3.675 3.850 . 0 0 "[ . 1 . 2]" 1
409 1 51 PHE H 1 51 PHE QD . . 4.270 3.096 2.710 3.398 . 0 0 "[ . 1 . 2]" 1
410 1 51 PHE H 1 52 GLY H . . 3.390 2.803 1.926 3.586 0.196 4 0 "[ . 1 . 2]" 1
411 1 51 PHE HA 1 51 PHE QD . . 3.610 2.686 2.486 2.877 . 0 0 "[ . 1 . 2]" 1
412 1 51 PHE HA 1 51 PHE QE . . 4.870 4.604 4.483 4.729 . 0 0 "[ . 1 . 2]" 1
413 1 51 PHE HB2 1 52 GLY H . . 5.250 3.737 2.811 4.360 . 0 0 "[ . 1 . 2]" 1
414 1 51 PHE HB3 1 52 GLY H . . 4.970 4.008 3.766 4.323 . 0 0 "[ . 1 . 2]" 1
415 1 51 PHE QD 1 79 TYR HH . . 5.160 4.519 3.945 5.081 . 0 0 "[ . 1 . 2]" 1
416 1 52 GLY H 1 53 GLY H . . 4.490 3.170 2.322 3.932 . 0 0 "[ . 1 . 2]" 1
417 1 52 GLY QA 1 53 GLY H . . 2.870 2.450 2.221 2.765 . 0 0 "[ . 1 . 2]" 1
418 1 52 GLY QA 1 54 VAL H . . 3.690 3.357 3.110 3.575 . 0 0 "[ . 1 . 2]" 1
419 1 53 GLY H 1 54 VAL H . . 3.720 2.572 2.391 2.863 . 0 0 "[ . 1 . 2]" 1
420 1 54 VAL H 1 54 VAL HB . . 3.240 2.630 2.464 3.455 0.215 11 0 "[ . 1 . 2]" 1
421 1 54 VAL H 1 55 GLN H . . 3.660 3.057 2.913 3.159 . 0 0 "[ . 1 . 2]" 1
422 1 54 VAL HA 1 57 LEU H . . 4.580 3.613 3.365 3.927 . 0 0 "[ . 1 . 2]" 1
423 1 54 VAL HB 1 55 GLN H . . 3.960 3.457 2.383 4.025 0.065 9 0 "[ . 1 . 2]" 1
424 1 55 GLN H 1 55 GLN HB2 . . 3.210 2.625 2.478 2.702 . 0 0 "[ . 1 . 2]" 1
425 1 55 GLN H 1 55 GLN HB3 . . 3.260 2.466 2.372 2.525 . 0 0 "[ . 1 . 2]" 1
426 1 55 GLN H 1 55 GLN QG . . 3.900 3.952 3.913 4.000 0.100 2 0 "[ . 1 . 2]" 1
427 1 55 GLN H 1 56 GLU H . . 3.540 2.622 2.491 2.757 . 0 0 "[ . 1 . 2]" 1
428 1 55 GLN HA 1 55 GLN HE21 . . 5.000 4.408 3.213 5.165 0.165 14 0 "[ . 1 . 2]" 1
429 1 55 GLN HA 1 55 GLN QG . . 3.520 2.663 2.278 3.128 . 0 0 "[ . 1 . 2]" 1
430 1 55 GLN HA 1 57 LEU H . . 4.190 4.208 4.146 4.251 0.061 16 0 "[ . 1 . 2]" 1
431 1 55 GLN HA 1 58 LEU H . . 3.620 3.413 3.211 3.674 0.054 15 0 "[ . 1 . 2]" 1
432 1 55 GLN HA 1 58 LEU QB . . 3.710 2.783 2.410 3.182 . 0 0 "[ . 1 . 2]" 1
433 1 55 GLN HA 1 59 ASN H . . 4.750 4.162 3.867 4.577 . 0 0 "[ . 1 . 2]" 1
434 1 55 GLN HB2 1 56 GLU H . . 4.050 3.921 3.770 4.028 . 0 0 "[ . 1 . 2]" 1
435 1 55 GLN HB3 1 56 GLU H . . 3.440 2.646 2.410 2.803 . 0 0 "[ . 1 . 2]" 1
436 1 55 GLN QG 1 56 GLU H . . 3.460 3.470 3.336 3.539 0.079 7 0 "[ . 1 . 2]" 1
437 1 56 GLU H 1 56 GLU HB2 . . 3.830 2.501 2.402 2.595 . 0 0 "[ . 1 . 2]" 1
438 1 56 GLU H 1 56 GLU QB . . 3.210 2.456 2.367 2.540 . 0 0 "[ . 1 . 2]" 1
439 1 56 GLU H 1 56 GLU HB3 . . 3.830 3.590 3.550 3.645 . 0 0 "[ . 1 . 2]" 1
440 1 56 GLU H 1 56 GLU HG2 . . 3.780 2.512 2.067 3.595 . 0 0 "[ . 1 . 2]" 1
441 1 56 GLU H 1 56 GLU QG . . 3.230 2.206 2.054 2.482 . 0 0 "[ . 1 . 2]" 1
442 1 56 GLU H 1 56 GLU HG3 . . 3.780 3.304 2.157 3.796 0.016 7 0 "[ . 1 . 2]" 1
443 1 56 GLU H 1 57 LEU H . . 3.580 2.624 2.557 2.736 . 0 0 "[ . 1 . 2]" 1
444 1 56 GLU HA 1 56 GLU HG2 . . 3.980 2.945 2.461 3.205 . 0 0 "[ . 1 . 2]" 1
445 1 56 GLU HA 1 56 GLU QG . . 3.300 2.814 2.367 3.037 . 0 0 "[ . 1 . 2]" 1
446 1 56 GLU HA 1 56 GLU HG3 . . 3.980 3.578 3.042 3.794 . 0 0 "[ . 1 . 2]" 1
447 1 56 GLU HA 1 59 ASN H . . 3.820 3.312 3.092 3.682 . 0 0 "[ . 1 . 2]" 1
448 1 56 GLU HA 1 59 ASN HB3 . . 3.730 2.898 1.925 3.929 0.199 18 0 "[ . 1 . 2]" 1
449 1 56 GLU QB 1 57 LEU H . . 3.390 2.677 2.428 2.823 . 0 0 "[ . 1 . 2]" 1
450 1 56 GLU HB2 1 57 LEU H . . 4.170 2.744 2.472 2.919 . 0 0 "[ . 1 . 2]" 1
451 1 56 GLU HB3 1 57 LEU H . . 4.170 3.737 3.549 3.837 . 0 0 "[ . 1 . 2]" 1
452 1 57 LEU H 1 57 LEU HB2 . . 4.150 2.533 2.424 2.611 . 0 0 "[ . 1 . 2]" 1
453 1 57 LEU H 1 57 LEU HB3 . . 4.150 3.603 3.569 3.640 . 0 0 "[ . 1 . 2]" 1
454 1 57 LEU H 1 57 LEU HG . . 3.600 2.235 2.108 2.372 . 0 0 "[ . 1 . 2]" 1
455 1 57 LEU H 1 58 LEU H . . 4.110 2.579 2.442 2.733 . 0 0 "[ . 1 . 2]" 1
456 1 57 LEU HA 1 60 GLN H . . 4.500 3.410 3.177 3.830 . 0 0 "[ . 1 . 2]" 1
457 1 57 LEU HA 1 60 GLN HE21 . . 4.760 4.051 3.154 4.770 0.010 20 0 "[ . 1 . 2]" 1
458 1 57 LEU HA 1 68 ALA MB . . 4.430 3.203 2.712 3.583 . 0 0 "[ . 1 . 2]" 1
459 1 57 LEU HB2 1 58 LEU H . . 4.250 2.540 2.318 2.741 . 0 0 "[ . 1 . 2]" 1
460 1 57 LEU HB3 1 58 LEU H . . 4.250 3.649 3.489 3.763 . 0 0 "[ . 1 . 2]" 1
461 1 58 LEU H 1 58 LEU HB2 . . 3.880 2.490 2.379 2.558 . 0 0 "[ . 1 . 2]" 1
462 1 58 LEU H 1 58 LEU QB . . 3.340 2.447 2.347 2.508 . 0 0 "[ . 1 . 2]" 1
463 1 58 LEU H 1 58 LEU HB3 . . 3.880 3.597 3.577 3.628 . 0 0 "[ . 1 . 2]" 1
464 1 58 LEU H 1 58 LEU HG . . 3.740 2.532 2.269 3.801 0.061 7 0 "[ . 1 . 2]" 1
465 1 58 LEU H 1 59 ASN H . . 3.790 2.557 2.351 2.802 . 0 0 "[ . 1 . 2]" 1
466 1 58 LEU HA 1 58 LEU HG . . 4.220 3.082 2.492 3.238 . 0 0 "[ . 1 . 2]" 1
467 1 58 LEU QB 1 59 ASN H . . 3.260 2.744 2.532 2.932 . 0 0 "[ . 1 . 2]" 1
468 1 58 LEU QB 1 61 GLN H . . 5.340 4.866 4.607 5.256 . 0 0 "[ . 1 . 2]" 1
469 1 59 ASN H 1 59 ASN HB3 . . 3.260 2.573 2.328 3.407 0.147 15 0 "[ . 1 . 2]" 1
470 1 59 ASN H 1 60 GLN H . . 3.480 2.550 2.421 2.627 . 0 0 "[ . 1 . 2]" 1
471 1 59 ASN H 1 61 GLN H . . 5.500 3.962 3.625 4.239 . 0 0 "[ . 1 . 2]" 1
472 1 59 ASN HA 1 61 GLN H . . 4.600 4.169 3.656 4.656 0.056 12 0 "[ . 1 . 2]" 1
473 1 60 GLN H 1 60 GLN HB2 . . 3.900 2.465 2.335 2.563 . 0 0 "[ . 1 . 2]" 1
474 1 60 GLN H 1 60 GLN QB . . 3.370 2.427 2.307 2.516 . 0 0 "[ . 1 . 2]" 1
475 1 60 GLN H 1 60 GLN HB3 . . 3.900 3.632 3.593 3.670 . 0 0 "[ . 1 . 2]" 1
476 1 60 GLN H 1 60 GLN HG2 . . 4.020 3.643 3.475 3.886 . 0 0 "[ . 1 . 2]" 1
477 1 60 GLN H 1 60 GLN QG . . 3.330 2.461 2.283 2.626 . 0 0 "[ . 1 . 2]" 1
478 1 60 GLN H 1 60 GLN HG3 . . 4.020 2.504 2.308 2.682 . 0 0 "[ . 1 . 2]" 1
479 1 60 GLN H 1 61 GLN H . . 3.480 2.479 2.335 2.627 . 0 0 "[ . 1 . 2]" 1
480 1 60 GLN H 1 62 LYS QG . . 5.010 4.811 4.274 5.122 0.112 19 0 "[ . 1 . 2]" 1
481 1 60 GLN HA 1 60 GLN HG2 . . 3.890 2.521 2.421 2.662 . 0 0 "[ . 1 . 2]" 1
482 1 60 GLN HA 1 60 GLN QG . . 3.370 2.405 2.324 2.488 . 0 0 "[ . 1 . 2]" 1
483 1 60 GLN HA 1 60 GLN HG3 . . 3.890 3.049 2.834 3.206 . 0 0 "[ . 1 . 2]" 1
484 1 60 GLN QB 1 61 GLN H . . 4.020 2.832 2.475 3.189 . 0 0 "[ . 1 . 2]" 1
485 1 60 GLN QB 1 62 LYS QE . . 4.130 3.316 1.943 4.306 0.176 5 0 "[ . 1 . 2]" 1
486 1 60 GLN QB 1 62 LYS QG . . 4.570 2.705 2.253 3.587 . 0 0 "[ . 1 . 2]" 1
487 1 60 GLN HE21 1 69 VAL H . . 4.240 2.702 2.436 2.965 . 0 0 "[ . 1 . 2]" 1
488 1 60 GLN QG 1 61 GLN H . . 4.720 4.203 3.983 4.398 . 0 0 "[ . 1 . 2]" 1
489 1 61 GLN H 1 61 GLN QG . . 3.560 2.897 2.632 3.820 0.260 11 0 "[ . 1 . 2]" 1
490 1 61 GLN H 1 62 LYS H . . 3.870 3.145 2.600 3.888 0.018 8 0 "[ . 1 . 2]" 1
491 1 61 GLN HA 1 61 GLN QG . . 3.480 2.434 2.195 2.638 . 0 0 "[ . 1 . 2]" 1
492 1 61 GLN QG 1 62 LYS H . . 4.360 4.302 2.910 4.496 0.136 13 0 "[ . 1 . 2]" 1
493 1 62 LYS H 1 62 LYS QB . . 3.560 2.651 2.310 3.289 . 0 0 "[ . 1 . 2]" 1
494 1 62 LYS H 1 62 LYS HD2 . . 4.590 3.856 1.839 4.755 0.165 2 0 "[ . 1 . 2]" 1
495 1 62 LYS H 1 62 LYS QD . . 3.800 3.230 1.833 3.829 0.029 8 0 "[ . 1 . 2]" 1
496 1 62 LYS H 1 62 LYS HD3 . . 4.590 3.855 3.482 4.636 0.046 3 0 "[ . 1 . 2]" 1
497 1 62 LYS H 1 62 LYS QG . . 3.880 2.599 1.664 3.125 . 0 0 "[ . 1 . 2]" 1
498 1 62 LYS HA 1 63 LYS H . . 3.330 2.224 1.991 2.512 . 0 0 "[ . 1 . 2]" 1
499 1 62 LYS QB 1 62 LYS QD . . 2.670 2.344 2.224 2.640 . 0 0 "[ . 1 . 2]" 1
500 1 62 LYS QD 1 63 LYS H . . 3.390 3.334 2.935 3.637 0.247 4 0 "[ . 1 . 2]" 1
501 1 62 LYS QE 1 62 LYS QG . . 3.220 2.171 2.045 2.358 . 0 0 "[ . 1 . 2]" 1
502 1 63 LYS H 1 63 LYS QB . . 3.700 2.629 2.412 3.133 . 0 0 "[ . 1 . 2]" 1
503 1 63 LYS H 1 63 LYS QD . . 4.800 3.946 1.835 4.823 0.023 5 0 "[ . 1 . 2]" 1
504 1 63 LYS H 1 63 LYS QG . . 3.700 3.034 2.541 3.705 0.005 2 0 "[ . 1 . 2]" 1
505 1 63 LYS H 1 66 GLU HB2 . . 4.510 2.839 2.115 4.141 . 0 0 "[ . 1 . 2]" 1
506 1 63 LYS H 1 66 GLU QB . . 3.860 2.730 2.094 3.169 . 0 0 "[ . 1 . 2]" 1
507 1 63 LYS H 1 66 GLU HB3 . . 4.510 3.949 2.958 4.517 0.007 5 0 "[ . 1 . 2]" 1
508 1 63 LYS HA 1 63 LYS QD . . 4.270 3.534 1.851 4.379 0.109 11 0 "[ . 1 . 2]" 1
509 1 63 LYS HA 1 63 LYS QG . . 3.720 2.634 2.363 3.526 . 0 0 "[ . 1 . 2]" 1
510 1 63 LYS HA 1 81 ILE HB . . 4.860 4.645 4.167 4.893 0.033 14 0 "[ . 1 . 2]" 1
511 1 63 LYS QB 1 66 GLU QB . . 4.350 4.082 3.186 4.587 0.237 8 0 "[ . 1 . 2]" 1
512 1 63 LYS QB 1 66 GLU QG . . 4.830 3.744 2.932 4.855 0.025 16 0 "[ . 1 . 2]" 1
513 1 63 LYS HB2 1 64 SER H . . 3.970 3.369 2.119 3.950 . 0 0 "[ . 1 . 2]" 1
514 1 63 LYS HB3 1 64 SER H . . 3.970 2.419 2.074 3.756 . 0 0 "[ . 1 . 2]" 1
515 1 63 LYS QG 1 64 SER H . . 4.400 3.800 3.272 4.283 . 0 0 "[ . 1 . 2]" 1
516 1 64 SER H 1 64 SER QB . . 3.630 2.501 2.215 2.595 . 0 0 "[ . 1 . 2]" 1
517 1 64 SER H 1 65 GLY H . . 5.020 4.555 4.506 4.621 . 0 0 "[ . 1 . 2]" 1
518 1 64 SER HA 1 65 GLY H . . 3.400 2.150 2.103 2.201 . 0 0 "[ . 1 . 2]" 1
519 1 64 SER HA 1 66 GLU H . . 3.980 3.320 3.126 3.567 . 0 0 "[ . 1 . 2]" 1
520 1 64 SER HA 1 81 ILE HB . . 4.710 2.938 2.292 4.024 . 0 0 "[ . 1 . 2]" 1
521 1 64 SER QB 1 65 GLY H . . 4.270 3.174 2.928 3.745 . 0 0 "[ . 1 . 2]" 1
522 1 64 SER HB2 1 65 GLY H . . 5.050 3.396 3.015 4.214 . 0 0 "[ . 1 . 2]" 1
523 1 64 SER HB3 1 65 GLY H . . 5.050 4.014 3.383 4.222 . 0 0 "[ . 1 . 2]" 1
524 1 65 GLY H 1 66 GLU H . . 3.630 2.298 2.174 2.396 . 0 0 "[ . 1 . 2]" 1
525 1 65 GLY H 1 81 ILE HB . . 4.490 3.167 2.739 3.780 . 0 0 "[ . 1 . 2]" 1
526 1 65 GLY H 1 82 THR HA . . 4.540 3.849 3.455 4.304 . 0 0 "[ . 1 . 2]" 1
527 1 65 GLY QA 1 97 LYS QB . . 3.560 2.400 1.906 2.807 . 0 0 "[ . 1 . 2]" 1
528 1 65 GLY QA 1 97 LYS QG . . 3.990 3.648 2.935 4.025 0.035 16 0 "[ . 1 . 2]" 1
529 1 65 GLY HA2 1 97 LYS HB2 . . 4.580 2.596 2.020 3.090 . 0 0 "[ . 1 . 2]" 1
530 1 65 GLY HA2 1 97 LYS HB3 . . 4.580 3.661 2.637 4.472 . 0 0 "[ . 1 . 2]" 1
531 1 65 GLY HA3 1 97 LYS HB2 . . 4.580 3.201 2.402 3.940 . 0 0 "[ . 1 . 2]" 1
532 1 65 GLY HA3 1 97 LYS HB3 . . 4.580 3.711 2.853 4.368 . 0 0 "[ . 1 . 2]" 1
533 1 66 GLU H 1 66 GLU QG . . 3.520 3.022 2.812 3.711 0.191 16 0 "[ . 1 . 2]" 1
534 1 66 GLU H 1 81 ILE HB . . 4.510 2.563 2.362 2.775 . 0 0 "[ . 1 . 2]" 1
535 1 66 GLU HA 1 66 GLU QG . . 3.520 2.482 2.381 2.934 . 0 0 "[ . 1 . 2]" 1
536 1 66 GLU HA 1 101 ALA MB . . 3.790 3.214 2.734 3.802 0.012 1 0 "[ . 1 . 2]" 1
537 1 66 GLU QB 1 67 VAL H . . 3.480 2.214 2.034 3.379 . 0 0 "[ . 1 . 2]" 1
538 1 66 GLU HB2 1 67 VAL H . . 4.120 3.439 3.293 3.811 . 0 0 "[ . 1 . 2]" 1
539 1 66 GLU HB3 1 67 VAL H . . 4.120 2.256 2.052 3.775 . 0 0 "[ . 1 . 2]" 1
540 1 66 GLU QG 1 67 VAL H . . 3.950 3.708 2.057 4.042 0.092 11 0 "[ . 1 . 2]" 1
541 1 67 VAL H 1 101 ALA MB . . 4.190 3.173 2.700 3.618 . 0 0 "[ . 1 . 2]" 1
542 1 67 VAL HA 1 68 ALA H . . 3.350 2.151 2.076 2.207 . 0 0 "[ . 1 . 2]" 1
543 1 67 VAL HA 1 80 LEU HA . . 4.210 2.719 2.444 2.939 . 0 0 "[ . 1 . 2]" 1
544 1 67 VAL HA 1 81 ILE H . . 4.110 2.829 2.476 3.267 . 0 0 "[ . 1 . 2]" 1
545 1 67 VAL HA 1 81 ILE HG12 . . 5.190 2.845 2.537 3.031 . 0 0 "[ . 1 . 2]" 1
546 1 67 VAL HB 1 68 ALA H . . 4.430 4.138 4.091 4.233 . 0 0 "[ . 1 . 2]" 1
547 1 67 VAL HB 1 80 LEU HA . . 4.840 3.532 3.194 4.863 0.023 18 0 "[ . 1 . 2]" 1
548 1 67 VAL HB 1 98 SER HA . . 4.650 3.475 2.963 4.544 . 0 0 "[ . 1 . 2]" 1
549 1 67 VAL HB 1 101 ALA MB . . 3.710 2.516 2.337 2.702 . 0 0 "[ . 1 . 2]" 1
550 1 68 ALA H 1 68 ALA MB . . 3.610 2.358 2.306 2.393 . 0 0 "[ . 1 . 2]" 1
551 1 68 ALA H 1 79 TYR H . . 4.560 2.976 2.821 3.133 . 0 0 "[ . 1 . 2]" 1
552 1 68 ALA H 1 79 TYR HB2 . . 4.910 2.783 2.478 3.042 . 0 0 "[ . 1 . 2]" 1
553 1 68 ALA H 1 79 TYR QB . . 4.270 2.728 2.448 2.948 . 0 0 "[ . 1 . 2]" 1
554 1 68 ALA H 1 79 TYR HB3 . . 4.910 3.943 3.790 4.162 . 0 0 "[ . 1 . 2]" 1
555 1 68 ALA H 1 81 ILE H . . 4.760 4.180 3.886 4.761 0.001 9 0 "[ . 1 . 2]" 1
556 1 68 ALA H 1 81 ILE HG12 . . 5.100 3.124 2.748 3.510 . 0 0 "[ . 1 . 2]" 1
557 1 68 ALA HA 1 69 VAL H . . 3.490 2.232 2.153 2.321 . 0 0 "[ . 1 . 2]" 1
558 1 68 ALA MB 1 69 VAL H . . 3.750 2.987 2.810 3.209 . 0 0 "[ . 1 . 2]" 1
559 1 68 ALA MB 1 79 TYR H . . 4.560 3.528 3.351 3.681 . 0 0 "[ . 1 . 2]" 1
560 1 68 ALA MB 1 79 TYR HB2 . . 3.990 2.000 1.866 2.154 . 0 0 "[ . 1 . 2]" 1
561 1 68 ALA MB 1 79 TYR HB3 . . 3.990 3.252 3.127 3.386 . 0 0 "[ . 1 . 2]" 1
562 1 68 ALA MB 1 79 TYR QD . . 4.290 3.118 2.537 3.533 . 0 0 "[ . 1 . 2]" 1
563 1 69 VAL H 1 69 VAL HB . . 3.850 2.900 2.780 3.261 . 0 0 "[ . 1 . 2]" 1
564 1 69 VAL HA 1 70 LEU H . . 3.280 2.173 2.098 2.219 . 0 0 "[ . 1 . 2]" 1
565 1 69 VAL HA 1 78 TYR HA . . 4.620 2.670 2.528 2.819 . 0 0 "[ . 1 . 2]" 1
566 1 69 VAL HA 1 79 TYR H . . 4.670 3.348 3.226 3.509 . 0 0 "[ . 1 . 2]" 1
567 1 69 VAL HA 1 79 TYR QD . . 4.510 3.255 3.002 3.660 . 0 0 "[ . 1 . 2]" 1
568 1 69 VAL HB 1 70 LEU H . . 4.010 3.756 3.602 3.928 . 0 0 "[ . 1 . 2]" 1
569 1 69 VAL HB 1 77 ILE H . . 4.930 5.050 5.008 5.090 0.160 7 0 "[ . 1 . 2]" 1
570 1 70 LEU H 1 70 LEU HG . . 4.140 2.887 2.742 3.075 . 0 0 "[ . 1 . 2]" 1
571 1 70 LEU H 1 76 TYR QB . . 4.260 4.171 3.852 4.298 0.038 14 0 "[ . 1 . 2]" 1
572 1 70 LEU H 1 79 TYR QD . . 4.600 4.001 3.855 4.250 . 0 0 "[ . 1 . 2]" 1
573 1 70 LEU H 1 79 TYR QE . . 4.660 4.042 3.708 4.648 . 0 0 "[ . 1 . 2]" 1
574 1 70 LEU HA 1 71 LYS H . . 3.210 2.229 2.125 2.300 . 0 0 "[ . 1 . 2]" 1
575 1 70 LEU QB 1 71 LYS H . . 3.930 3.086 2.853 3.213 . 0 0 "[ . 1 . 2]" 1
576 1 70 LEU QB 1 77 ILE HB . . 4.310 2.250 1.986 2.554 . 0 0 "[ . 1 . 2]" 1
577 1 70 LEU QB 1 79 TYR QE . . 4.210 3.248 3.004 3.674 . 0 0 "[ . 1 . 2]" 1
578 1 70 LEU HB2 1 77 ILE HB . . 4.940 2.262 1.994 2.573 . 0 0 "[ . 1 . 2]" 1
579 1 70 LEU HB2 1 79 TYR QE . . 4.850 3.337 3.064 3.868 . 0 0 "[ . 1 . 2]" 1
580 1 70 LEU HB3 1 77 ILE HB . . 4.940 3.987 3.661 4.307 . 0 0 "[ . 1 . 2]" 1
581 1 70 LEU HB3 1 79 TYR QE . . 4.850 4.491 4.328 4.796 . 0 0 "[ . 1 . 2]" 1
582 1 70 LEU HG 1 79 TYR QD . . 4.450 3.035 2.568 3.236 . 0 0 "[ . 1 . 2]" 1
583 1 70 LEU HG 1 79 TYR QE . . 4.460 2.337 2.011 3.008 . 0 0 "[ . 1 . 2]" 1
584 1 71 LYS H 1 71 LYS HB2 . . 3.810 2.850 2.646 3.710 . 0 0 "[ . 1 . 2]" 1
585 1 71 LYS H 1 71 LYS HB3 . . 3.810 2.518 2.390 2.837 . 0 0 "[ . 1 . 2]" 1
586 1 71 LYS H 1 71 LYS HG2 . . 4.770 4.168 1.849 4.481 . 0 0 "[ . 1 . 2]" 1
587 1 71 LYS H 1 71 LYS HG3 . . 4.770 4.443 3.240 4.633 . 0 0 "[ . 1 . 2]" 1
588 1 71 LYS H 1 76 TYR QE . . 4.990 4.043 3.740 4.480 . 0 0 "[ . 1 . 2]" 1
589 1 71 LYS HA 1 72 ARG H . . 3.220 2.100 1.975 2.138 . 0 0 "[ . 1 . 2]" 1
590 1 71 LYS HA 1 76 TYR QE . . 3.300 3.378 3.318 3.437 0.137 14 0 "[ . 1 . 2]" 1
591 1 71 LYS HA 1 77 ILE H . . 4.360 3.823 3.609 4.111 . 0 0 "[ . 1 . 2]" 1
592 1 71 LYS QB 1 72 ARG H . . 3.720 3.729 3.116 3.804 0.084 13 0 "[ . 1 . 2]" 1
593 1 71 LYS QB 1 76 TYR QE . . 3.100 2.049 1.907 2.261 . 0 0 "[ . 1 . 2]" 1
594 1 71 LYS HB2 1 72 ARG H . . 4.250 4.186 3.213 4.310 0.060 18 0 "[ . 1 . 2]" 1
595 1 71 LYS HB3 1 72 ARG H . . 4.250 4.220 4.165 4.258 0.008 11 0 "[ . 1 . 2]" 1
596 1 71 LYS QD 1 76 TYR QE . . 4.960 3.420 2.514 4.443 . 0 0 "[ . 1 . 2]" 1
597 1 71 LYS QE 1 76 TYR QE . . 5.030 3.777 2.298 4.872 . 0 0 "[ . 1 . 2]" 1
598 1 71 LYS QG 1 76 TYR QE . . 5.320 3.375 2.782 4.209 . 0 0 "[ . 1 . 2]" 1
599 1 71 LYS HG2 1 72 ARG H . . 4.430 3.541 3.219 4.671 0.241 17 0 "[ . 1 . 2]" 1
600 1 71 LYS HG3 1 72 ARG H . . 4.430 3.553 3.244 4.316 . 0 0 "[ . 1 . 2]" 1
601 1 72 ARG H 1 75 ARG H . . 3.840 3.210 2.993 3.489 . 0 0 "[ . 1 . 2]" 1
602 1 72 ARG H 1 76 TYR HA . . 4.320 3.165 3.022 3.409 . 0 0 "[ . 1 . 2]" 1
603 1 72 ARG HA 1 72 ARG HD2 . . 4.300 3.033 2.016 4.086 . 0 0 "[ . 1 . 2]" 1
604 1 72 ARG HA 1 72 ARG QD . . 3.730 2.501 1.878 3.380 . 0 0 "[ . 1 . 2]" 1
605 1 72 ARG HA 1 72 ARG HD3 . . 4.300 3.097 1.898 3.861 . 0 0 "[ . 1 . 2]" 1
606 1 72 ARG HA 1 72 ARG HE . . 4.610 3.360 1.644 4.710 0.100 20 0 "[ . 1 . 2]" 1
607 1 73 ASP QB 1 74 GLY H . . 3.990 3.810 3.743 3.998 0.008 3 0 "[ . 1 . 2]" 1
608 1 73 ASP QB 1 75 ARG H . . 4.600 3.394 3.001 4.031 . 0 0 "[ . 1 . 2]" 1
609 1 73 ASP QB 1 75 ARG QG . . 4.560 2.896 2.043 4.097 . 0 0 "[ . 1 . 2]" 1
610 1 73 ASP HB2 1 74 GLY H . . 4.730 4.420 4.038 4.615 . 0 0 "[ . 1 . 2]" 1
611 1 73 ASP HB3 1 74 GLY H . . 4.730 4.203 4.063 4.437 . 0 0 "[ . 1 . 2]" 1
612 1 74 GLY H 1 75 ARG H . . 3.750 2.643 2.540 2.791 . 0 0 "[ . 1 . 2]" 1
613 1 75 ARG H 1 75 ARG QB . . 3.300 2.730 2.267 3.178 . 0 0 "[ . 1 . 2]" 1
614 1 75 ARG H 1 75 ARG QD . . 4.120 4.069 3.820 4.238 0.118 7 0 "[ . 1 . 2]" 1
615 1 75 ARG H 1 75 ARG HG2 . . 3.720 2.680 1.913 3.809 0.089 7 0 "[ . 1 . 2]" 1
616 1 75 ARG H 1 75 ARG HG3 . . 3.720 3.087 2.483 3.729 0.009 5 0 "[ . 1 . 2]" 1
617 1 75 ARG H 1 76 TYR H . . 4.920 4.436 4.376 4.495 . 0 0 "[ . 1 . 2]" 1
618 1 75 ARG QB 1 75 ARG HE . . 4.440 2.767 1.947 3.956 . 0 0 "[ . 1 . 2]" 1
619 1 75 ARG QB 1 76 TYR H . . 3.750 2.397 2.141 2.859 . 0 0 "[ . 1 . 2]" 1
620 1 76 TYR H 1 76 TYR QD . . 4.290 3.286 2.976 3.514 . 0 0 "[ . 1 . 2]" 1
621 1 76 TYR HA 1 77 ILE H . . 3.390 2.193 2.117 2.270 . 0 0 "[ . 1 . 2]" 1
622 1 76 TYR QB 1 77 ILE H . . 3.630 2.695 2.477 2.915 . 0 0 "[ . 1 . 2]" 1
623 1 76 TYR QD 1 77 ILE H . . 4.710 3.145 2.980 3.339 . 0 0 "[ . 1 . 2]" 1
624 1 76 TYR QD 1 105 HIS HE1 . . 4.470 3.043 2.863 3.298 . 0 0 "[ . 1 . 2]" 1
625 1 76 TYR QE 1 105 HIS HE1 . . 4.080 3.453 3.066 4.082 0.002 2 0 "[ . 1 . 2]" 1
626 1 76 TYR QE 1 109 ASN HB2 . . 4.160 3.663 3.081 4.125 . 0 0 "[ . 1 . 2]" 1
627 1 76 TYR QE 1 109 ASN QB . . 3.540 2.693 2.441 3.213 . 0 0 "[ . 1 . 2]" 1
628 1 76 TYR QE 1 109 ASN HB3 . . 4.160 2.821 2.508 4.096 . 0 0 "[ . 1 . 2]" 1
629 1 77 ILE HA 1 78 TYR H . . 3.490 2.123 2.088 2.166 . 0 0 "[ . 1 . 2]" 1
630 1 77 ILE HB 1 79 TYR QE . . 3.870 2.808 2.484 3.229 . 0 0 "[ . 1 . 2]" 1
631 1 78 TYR H 1 78 TYR QD . . 4.140 2.655 2.553 2.772 . 0 0 "[ . 1 . 2]" 1
632 1 78 TYR HA 1 78 TYR QD . . 4.560 2.883 2.789 3.057 . 0 0 "[ . 1 . 2]" 1
633 1 78 TYR QD 1 102 MET HG2 . . 5.040 3.367 2.275 5.013 . 0 0 "[ . 1 . 2]" 1
634 1 78 TYR QD 1 102 MET QG . . 4.410 3.083 2.260 4.457 0.047 10 0 "[ . 1 . 2]" 1
635 1 78 TYR QD 1 102 MET HG3 . . 5.040 4.264 2.683 4.992 . 0 0 "[ . 1 . 2]" 1
636 1 78 TYR QE 1 105 HIS HB2 . . 4.270 3.571 3.442 3.845 . 0 0 "[ . 1 . 2]" 1
637 1 78 TYR QE 1 105 HIS QB . . 3.680 2.408 2.208 2.758 . 0 0 "[ . 1 . 2]" 1
638 1 78 TYR QE 1 105 HIS HB3 . . 4.270 2.449 2.232 2.826 . 0 0 "[ . 1 . 2]" 1
639 1 78 TYR QE 1 105 HIS HE1 . . 4.440 3.782 3.473 4.053 . 0 0 "[ . 1 . 2]" 1
640 1 78 TYR QE 1 106 CYS H . . 4.920 4.259 4.026 4.477 . 0 0 "[ . 1 . 2]" 1
641 1 78 TYR HH 1 105 HIS QB . . 5.240 4.185 4.037 4.349 . 0 0 "[ . 1 . 2]" 1
642 1 78 TYR HH 1 105 HIS HE1 . . 3.970 3.955 3.856 4.007 0.037 2 0 "[ . 1 . 2]" 1
643 1 78 TYR HH 1 106 CYS H . . 5.020 4.096 3.868 4.470 . 0 0 "[ . 1 . 2]" 1
644 1 78 TYR HH 1 106 CYS HA . . 4.860 3.015 2.587 3.502 . 0 0 "[ . 1 . 2]" 1
645 1 79 TYR H 1 79 TYR QD . . 3.750 2.746 2.594 3.032 . 0 0 "[ . 1 . 2]" 1
646 1 79 TYR HA 1 79 TYR QD . . 4.510 2.977 2.887 3.131 . 0 0 "[ . 1 . 2]" 1
647 1 79 TYR HA 1 80 LEU H . . 3.280 2.149 2.101 2.187 . 0 0 "[ . 1 . 2]" 1
648 1 80 LEU H 1 80 LEU HB2 . . 3.940 2.502 2.448 2.548 . 0 0 "[ . 1 . 2]" 1
649 1 80 LEU H 1 80 LEU HB3 . . 4.070 3.601 3.573 3.629 . 0 0 "[ . 1 . 2]" 1
650 1 80 LEU H 1 80 LEU HG . . 3.700 2.376 2.286 2.520 . 0 0 "[ . 1 . 2]" 1
651 1 80 LEU HA 1 81 ILE H . . 3.450 2.163 2.095 2.218 . 0 0 "[ . 1 . 2]" 1
652 1 80 LEU HA 1 98 SER QB . . 3.950 2.685 2.287 3.612 . 0 0 "[ . 1 . 2]" 1
653 1 80 LEU HB2 1 98 SER QB . . 5.020 3.778 3.455 4.377 . 0 0 "[ . 1 . 2]" 1
654 1 80 LEU HB3 1 98 SER QB . . 4.560 2.270 1.956 2.786 . 0 0 "[ . 1 . 2]" 1
655 1 81 ILE H 1 81 ILE HB . . 3.800 2.575 2.501 2.640 . 0 0 "[ . 1 . 2]" 1
656 1 81 ILE H 1 81 ILE HG12 . . 4.080 2.320 2.148 2.572 . 0 0 "[ . 1 . 2]" 1
657 1 81 ILE HA 1 82 THR H . . 3.520 2.084 2.014 2.138 . 0 0 "[ . 1 . 2]" 1
658 1 82 THR H 1 83 LYS H . . 3.710 3.032 2.884 3.292 . 0 0 "[ . 1 . 2]" 1
659 1 83 LYS QB 1 84 LYS H . . 3.600 2.312 1.684 3.181 . 0 0 "[ . 1 . 2]" 1
660 1 83 LYS QG 1 84 LYS H . . 4.990 3.331 1.626 4.229 . 0 0 "[ . 1 . 2]" 1
661 1 84 LYS H 1 84 LYS QB . . 3.450 2.336 2.093 2.601 . 0 0 "[ . 1 . 2]" 1
662 1 84 LYS H 1 84 LYS QD . . 5.090 4.025 1.650 4.753 . 0 0 "[ . 1 . 2]" 1
663 1 84 LYS H 1 84 LYS QG . . 4.380 3.418 2.141 4.011 . 0 0 "[ . 1 . 2]" 1
664 1 84 LYS H 1 85 ARG H . . 4.720 2.876 2.333 3.103 . 0 0 "[ . 1 . 2]" 1
665 1 84 LYS HA 1 84 LYS QG . . 3.670 2.436 2.352 2.499 . 0 0 "[ . 1 . 2]" 1
666 1 84 LYS QB 1 85 ARG H . . 4.130 2.621 2.465 2.768 . 0 0 "[ . 1 . 2]" 1
667 1 84 LYS QB 1 88 HIS HE1 . . 3.410 2.497 1.961 2.965 . 0 0 "[ . 1 . 2]" 1
668 1 84 LYS QD 1 88 HIS HE1 . . 3.620 2.934 2.264 3.684 0.064 4 0 "[ . 1 . 2]" 1
669 1 84 LYS QE 1 88 HIS HE1 . . 4.280 4.133 2.247 4.429 0.149 5 0 "[ . 1 . 2]" 1
670 1 84 LYS QG 1 88 HIS HE1 . . 4.120 3.855 3.313 4.181 0.061 11 0 "[ . 1 . 2]" 1
671 1 85 ARG H 1 85 ARG QG . . 4.250 3.126 2.907 3.396 . 0 0 "[ . 1 . 2]" 1
672 1 85 ARG H 1 88 HIS QB . . 4.470 2.959 2.550 3.707 . 0 0 "[ . 1 . 2]" 1
673 1 85 ARG HA 1 86 ALA H . . 3.280 2.344 2.199 2.552 . 0 0 "[ . 1 . 2]" 1
674 1 85 ARG QB 1 86 ALA H . . 3.710 2.471 2.137 2.760 . 0 0 "[ . 1 . 2]" 1
675 1 85 ARG QB 1 87 SER H . . 4.750 2.612 2.368 2.920 . 0 0 "[ . 1 . 2]" 1
676 1 85 ARG QB 1 88 HIS H . . 4.250 3.512 3.011 3.855 . 0 0 "[ . 1 . 2]" 1
677 1 85 ARG QB 1 88 HIS HD2 . . 4.260 3.012 2.414 3.638 . 0 0 "[ . 1 . 2]" 1
678 1 85 ARG QB 1 88 HIS HE1 . . 4.310 3.892 3.260 4.335 0.025 1 0 "[ . 1 . 2]" 1
679 1 85 ARG HB2 1 86 ALA H . . 4.430 3.672 3.245 3.939 . 0 0 "[ . 1 . 2]" 1
680 1 85 ARG HB2 1 88 HIS H . . 4.840 3.739 3.135 4.130 . 0 0 "[ . 1 . 2]" 1
681 1 85 ARG HB2 1 88 HIS HD2 . . 4.850 3.078 2.440 3.758 . 0 0 "[ . 1 . 2]" 1
682 1 85 ARG HB3 1 86 ALA H . . 4.430 2.513 2.168 2.819 . 0 0 "[ . 1 . 2]" 1
683 1 85 ARG HB3 1 88 HIS H . . 4.840 4.293 3.763 4.877 0.037 3 0 "[ . 1 . 2]" 1
684 1 85 ARG HB3 1 88 HIS HD2 . . 4.850 4.339 3.754 4.873 0.023 9 0 "[ . 1 . 2]" 1
685 1 85 ARG QG 1 88 HIS HE1 . . 3.730 3.687 2.991 3.829 0.099 5 0 "[ . 1 . 2]" 1
686 1 86 ALA H 1 86 ALA MB . . 3.330 2.231 2.192 2.258 . 0 0 "[ . 1 . 2]" 1
687 1 86 ALA H 1 87 SER H . . 4.520 2.615 2.467 2.793 . 0 0 "[ . 1 . 2]" 1
688 1 86 ALA MB 1 87 SER H . . 4.630 2.912 2.794 3.010 . 0 0 "[ . 1 . 2]" 1
689 1 87 SER H 1 88 HIS H . . 4.070 2.583 2.482 2.799 . 0 0 "[ . 1 . 2]" 1
690 1 88 HIS H 1 88 HIS QB . . 3.400 2.496 2.434 2.561 . 0 0 "[ . 1 . 2]" 1
691 1 88 HIS H 1 88 HIS HD2 . . 4.510 3.016 2.577 3.399 . 0 0 "[ . 1 . 2]" 1
692 1 88 HIS H 1 89 LYS H . . 5.150 4.489 4.349 4.581 . 0 0 "[ . 1 . 2]" 1
693 1 88 HIS HA 1 88 HIS HD2 . . 3.310 2.938 2.708 3.345 0.035 1 0 "[ . 1 . 2]" 1
694 1 88 HIS HA 1 89 LYS H . . 3.430 2.337 2.215 2.532 . 0 0 "[ . 1 . 2]" 1
695 1 88 HIS QB 1 89 LYS H . . 3.500 2.774 2.323 3.204 . 0 0 "[ . 1 . 2]" 1
696 1 89 LYS HA 1 90 PRO HD2 . . 3.920 2.376 2.025 3.190 . 0 0 "[ . 1 . 2]" 1
697 1 89 LYS HA 1 90 PRO HD3 . . 3.920 2.167 1.881 2.508 . 0 0 "[ . 1 . 2]" 1
698 1 90 PRO QD 1 125 ARG QG . . 4.000 3.884 2.795 4.139 0.139 17 0 "[ . 1 . 2]" 1
699 1 90 PRO QG 1 124 ASP QB . . 4.690 3.327 2.230 4.448 . 0 0 "[ . 1 . 2]" 1
700 1 91 THR H 1 91 THR HB . . 3.290 3.061 2.465 3.475 0.185 10 0 "[ . 1 . 2]" 1
701 1 91 THR H 1 94 ASN QB . . 4.530 2.876 2.201 3.396 . 0 0 "[ . 1 . 2]" 1
702 1 91 THR HA 1 92 TYR H . . 3.160 2.372 2.278 2.482 . 0 0 "[ . 1 . 2]" 1
703 1 91 THR HB 1 93 GLU H . . 3.600 2.867 2.386 3.496 . 0 0 "[ . 1 . 2]" 1
704 1 91 THR HG1 1 94 ASN H . . 4.460 3.657 2.603 4.529 0.069 20 0 "[ . 1 . 2]" 1
705 1 92 TYR H 1 92 TYR HB2 . . 4.120 2.452 2.339 2.555 . 0 0 "[ . 1 . 2]" 1
706 1 92 TYR H 1 92 TYR QB . . 3.540 2.414 2.309 2.508 . 0 0 "[ . 1 . 2]" 1
707 1 92 TYR H 1 92 TYR HB3 . . 4.120 3.610 3.559 3.648 . 0 0 "[ . 1 . 2]" 1
708 1 92 TYR H 1 92 TYR QD . . 4.290 2.437 1.953 2.741 . 0 0 "[ . 1 . 2]" 1
709 1 92 TYR H 1 134 MET ME . . 5.110 4.762 4.492 5.000 . 0 0 "[ . 1 . 2]" 1
710 1 92 TYR HA 1 92 TYR QD . . 3.730 2.843 2.564 3.133 . 0 0 "[ . 1 . 2]" 1
711 1 92 TYR HA 1 95 LEU HB2 . . 4.210 3.202 2.516 3.990 . 0 0 "[ . 1 . 2]" 1
712 1 92 TYR HA 1 95 LEU QB . . 3.670 2.419 2.153 3.054 . 0 0 "[ . 1 . 2]" 1
713 1 92 TYR HA 1 95 LEU HB3 . . 4.210 2.641 2.205 4.264 0.054 17 0 "[ . 1 . 2]" 1
714 1 92 TYR HA 1 134 MET ME . . 3.590 2.627 2.289 2.917 . 0 0 "[ . 1 . 2]" 1
715 1 92 TYR QB 1 93 GLU H . . 3.900 2.798 2.695 2.988 . 0 0 "[ . 1 . 2]" 1
716 1 92 TYR QB 1 134 MET ME . . 3.190 2.143 1.902 2.347 . 0 0 "[ . 1 . 2]" 1
717 1 92 TYR HB2 1 93 GLU H . . 4.590 2.888 2.762 3.116 . 0 0 "[ . 1 . 2]" 1
718 1 92 TYR HB2 1 134 MET ME . . 3.790 3.630 3.342 3.841 0.051 19 0 "[ . 1 . 2]" 1
719 1 92 TYR HB3 1 93 GLU H . . 4.590 3.760 3.640 3.855 . 0 0 "[ . 1 . 2]" 1
720 1 92 TYR HB3 1 134 MET ME . . 3.790 2.159 1.913 2.368 . 0 0 "[ . 1 . 2]" 1
721 1 92 TYR QD 1 134 MET ME . . 3.630 2.101 1.872 2.324 . 0 0 "[ . 1 . 2]" 1
722 1 92 TYR QE 1 126 LEU HA . . 4.440 4.101 3.670 4.483 0.043 14 0 "[ . 1 . 2]" 1
723 1 92 TYR QE 1 126 LEU HB2 . . 4.890 4.013 3.423 4.564 . 0 0 "[ . 1 . 2]" 1
724 1 92 TYR QE 1 126 LEU QB . . 4.060 2.664 2.252 3.215 . 0 0 "[ . 1 . 2]" 1
725 1 92 TYR QE 1 126 LEU HB3 . . 4.890 2.708 2.273 3.286 . 0 0 "[ . 1 . 2]" 1
726 1 92 TYR QE 1 127 GLN H . . 4.420 3.261 2.691 3.697 . 0 0 "[ . 1 . 2]" 1
727 1 92 TYR QE 1 130 ASN HA . . 5.310 4.888 4.566 5.118 . 0 0 "[ . 1 . 2]" 1
728 1 92 TYR QE 1 130 ASN HB2 . . 3.800 2.271 2.062 2.441 . 0 0 "[ . 1 . 2]" 1
729 1 92 TYR QE 1 130 ASN HB3 . . 3.800 3.253 2.937 3.669 . 0 0 "[ . 1 . 2]" 1
730 1 92 TYR QE 1 131 VAL H . . 5.040 3.106 2.559 4.351 . 0 0 "[ . 1 . 2]" 1
731 1 92 TYR QE 1 134 MET ME . . 4.050 3.817 3.417 4.113 0.063 14 0 "[ . 1 . 2]" 1
732 1 93 GLU H 1 93 GLU HB2 . . 3.810 2.494 2.294 2.624 . 0 0 "[ . 1 . 2]" 1
733 1 93 GLU H 1 93 GLU QB . . 3.290 2.273 2.119 2.565 . 0 0 "[ . 1 . 2]" 1
734 1 93 GLU H 1 93 GLU HB3 . . 3.810 2.711 2.399 3.611 . 0 0 "[ . 1 . 2]" 1
735 1 93 GLU H 1 93 GLU QG . . 4.340 3.613 1.878 3.989 . 0 0 "[ . 1 . 2]" 1
736 1 93 GLU H 1 94 ASN H . . 3.940 2.813 2.576 2.946 . 0 0 "[ . 1 . 2]" 1
737 1 93 GLU HA 1 93 GLU QG . . 3.440 2.511 2.394 2.587 . 0 0 "[ . 1 . 2]" 1
738 1 93 GLU HA 1 96 GLN H . . 3.980 3.662 3.280 4.023 0.043 7 0 "[ . 1 . 2]" 1
739 1 93 GLU HA 1 96 GLN HB3 . . 4.820 2.926 2.169 3.516 . 0 0 "[ . 1 . 2]" 1
740 1 93 GLU QB 1 94 ASN H . . 3.420 2.384 2.164 2.627 . 0 0 "[ . 1 . 2]" 1
741 1 93 GLU QB 1 95 LEU H . . 4.960 4.577 4.258 4.882 . 0 0 "[ . 1 . 2]" 1
742 1 93 GLU HB2 1 94 ASN H . . 4.040 3.496 2.190 3.931 . 0 0 "[ . 1 . 2]" 1
743 1 93 GLU HB3 1 94 ASN H . . 4.040 2.642 2.238 3.519 . 0 0 "[ . 1 . 2]" 1
744 1 94 ASN H 1 94 ASN HB2 . . 4.030 2.515 2.323 2.687 . 0 0 "[ . 1 . 2]" 1
745 1 94 ASN H 1 94 ASN QB . . 3.440 2.420 2.145 2.621 . 0 0 "[ . 1 . 2]" 1
746 1 94 ASN H 1 94 ASN HB3 . . 4.030 3.404 2.323 3.686 . 0 0 "[ . 1 . 2]" 1
747 1 94 ASN H 1 95 LEU H . . 3.430 2.593 2.422 2.729 . 0 0 "[ . 1 . 2]" 1
748 1 94 ASN HA 1 94 ASN HD21 . . 4.640 4.085 3.465 4.702 0.062 19 0 "[ . 1 . 2]" 1
749 1 94 ASN QB 1 95 LEU H . . 3.900 2.589 2.196 2.970 . 0 0 "[ . 1 . 2]" 1
750 1 94 ASN HB2 1 95 LEU H . . 4.490 2.916 2.299 4.026 . 0 0 "[ . 1 . 2]" 1
751 1 94 ASN HB3 1 95 LEU H . . 4.490 3.421 2.217 3.863 . 0 0 "[ . 1 . 2]" 1
752 1 95 LEU H 1 95 LEU HB2 . . 3.750 2.507 2.370 2.589 . 0 0 "[ . 1 . 2]" 1
753 1 95 LEU H 1 95 LEU QB . . 3.270 2.232 2.182 2.494 . 0 0 "[ . 1 . 2]" 1
754 1 95 LEU H 1 95 LEU HB3 . . 3.750 2.573 2.349 3.638 . 0 0 "[ . 1 . 2]" 1
755 1 95 LEU H 1 95 LEU HG . . 4.850 4.245 2.392 4.496 . 0 0 "[ . 1 . 2]" 1
756 1 95 LEU H 1 96 GLN H . . 3.830 2.629 2.373 2.727 . 0 0 "[ . 1 . 2]" 1
757 1 95 LEU H 1 134 MET ME . . 4.360 4.257 3.907 4.420 0.060 6 0 "[ . 1 . 2]" 1
758 1 95 LEU HA 1 98 SER H . . 3.950 3.508 3.339 3.695 . 0 0 "[ . 1 . 2]" 1
759 1 95 LEU HA 1 98 SER QB . . 4.400 2.882 2.561 3.907 . 0 0 "[ . 1 . 2]" 1
760 1 95 LEU QB 1 96 GLN H . . 4.040 2.495 2.318 2.615 . 0 0 "[ . 1 . 2]" 1
761 1 95 LEU QB 1 134 MET ME . . 4.050 2.496 2.001 2.811 . 0 0 "[ . 1 . 2]" 1
762 1 95 LEU HB2 1 96 GLN H . . 4.710 3.701 2.359 3.910 . 0 0 "[ . 1 . 2]" 1
763 1 95 LEU HB3 1 96 GLN H . . 4.710 2.628 2.374 3.436 . 0 0 "[ . 1 . 2]" 1
764 1 95 LEU HG 1 134 MET ME . . 3.700 3.226 2.533 3.801 0.101 7 0 "[ . 1 . 2]" 1
765 1 96 GLN H 1 96 GLN HB2 . . 3.370 2.443 2.324 2.561 . 0 0 "[ . 1 . 2]" 1
766 1 96 GLN H 1 96 GLN HB3 . . 3.650 2.511 2.453 2.669 . 0 0 "[ . 1 . 2]" 1
767 1 96 GLN H 1 96 GLN HG2 . . 4.740 4.427 4.406 4.468 . 0 0 "[ . 1 . 2]" 1
768 1 96 GLN H 1 96 GLN QG . . 3.900 3.926 3.893 3.952 0.052 19 0 "[ . 1 . 2]" 1
769 1 96 GLN H 1 96 GLN HG3 . . 4.740 4.389 4.326 4.430 . 0 0 "[ . 1 . 2]" 1
770 1 96 GLN H 1 97 LYS H . . 3.870 2.768 2.714 2.847 . 0 0 "[ . 1 . 2]" 1
771 1 96 GLN H 1 134 MET ME . . 3.580 3.187 2.918 3.447 . 0 0 "[ . 1 . 2]" 1
772 1 96 GLN HA 1 96 GLN HG2 . . 4.090 3.093 2.879 3.197 . 0 0 "[ . 1 . 2]" 1
773 1 96 GLN HA 1 96 GLN QG . . 3.450 2.462 2.373 2.519 . 0 0 "[ . 1 . 2]" 1
774 1 96 GLN HA 1 96 GLN HG3 . . 4.090 2.587 2.514 2.651 . 0 0 "[ . 1 . 2]" 1
775 1 96 GLN HA 1 99 LEU H . . 3.580 3.396 3.061 3.581 0.001 7 0 "[ . 1 . 2]" 1
776 1 96 GLN HA 1 99 LEU QB . . 3.600 2.802 2.444 3.846 0.246 12 0 "[ . 1 . 2]" 1
777 1 96 GLN HA 1 134 MET ME . . 3.910 3.395 2.598 3.949 0.039 17 0 "[ . 1 . 2]" 1
778 1 96 GLN HB2 1 96 GLN HE21 . . 4.440 4.336 3.762 4.512 0.072 16 0 "[ . 1 . 2]" 1
779 1 96 GLN HB2 1 97 LYS H . . 4.590 3.761 3.609 3.956 . 0 0 "[ . 1 . 2]" 1
780 1 96 GLN HB3 1 97 LYS H . . 4.200 2.412 2.243 2.723 . 0 0 "[ . 1 . 2]" 1
781 1 97 LYS H 1 97 LYS HB2 . . 3.740 2.546 2.434 2.657 . 0 0 "[ . 1 . 2]" 1
782 1 97 LYS H 1 97 LYS HB3 . . 3.740 3.614 3.579 3.639 . 0 0 "[ . 1 . 2]" 1
783 1 97 LYS H 1 97 LYS QD . . 3.990 3.378 2.951 3.878 . 0 0 "[ . 1 . 2]" 1
784 1 97 LYS H 1 97 LYS HG2 . . 4.090 2.393 2.061 3.469 . 0 0 "[ . 1 . 2]" 1
785 1 97 LYS H 1 97 LYS QG . . 3.570 2.195 2.049 2.429 . 0 0 "[ . 1 . 2]" 1
786 1 97 LYS H 1 97 LYS HG3 . . 4.090 3.454 2.226 3.835 . 0 0 "[ . 1 . 2]" 1
787 1 97 LYS H 1 98 SER H . . 3.730 2.658 2.543 2.794 . 0 0 "[ . 1 . 2]" 1
788 1 97 LYS HA 1 97 LYS QD . . 3.910 2.350 1.826 4.090 0.180 4 0 "[ . 1 . 2]" 1
789 1 97 LYS HA 1 97 LYS HG2 . . 3.750 3.053 2.435 3.296 . 0 0 "[ . 1 . 2]" 1
790 1 97 LYS HA 1 97 LYS HG3 . . 3.750 3.644 2.944 3.824 0.074 2 0 "[ . 1 . 2]" 1
791 1 97 LYS HA 1 100 GLU H . . 4.450 3.506 3.045 3.823 . 0 0 "[ . 1 . 2]" 1
792 1 97 LYS QB 1 98 SER H . . 3.530 2.723 2.417 3.057 . 0 0 "[ . 1 . 2]" 1
793 1 97 LYS HB2 1 98 SER H . . 4.040 2.794 2.464 3.171 . 0 0 "[ . 1 . 2]" 1
794 1 97 LYS HB3 1 98 SER H . . 4.040 3.791 3.475 4.017 . 0 0 "[ . 1 . 2]" 1
795 1 97 LYS QG 1 98 SER H . . 4.380 4.094 3.903 4.386 0.006 12 0 "[ . 1 . 2]" 1
796 1 98 SER H 1 98 SER QB . . 3.640 2.441 2.244 2.765 . 0 0 "[ . 1 . 2]" 1
797 1 98 SER H 1 99 LEU H . . 3.640 2.544 2.423 2.677 . 0 0 "[ . 1 . 2]" 1
798 1 98 SER HA 1 101 ALA H . . 4.190 3.388 3.209 3.923 . 0 0 "[ . 1 . 2]" 1
799 1 98 SER HA 1 101 ALA MB . . 3.570 2.744 2.510 2.964 . 0 0 "[ . 1 . 2]" 1
800 1 98 SER QB 1 101 ALA MB . . 4.530 4.083 3.848 4.419 . 0 0 "[ . 1 . 2]" 1
801 1 99 LEU H 1 99 LEU HB2 . . 3.800 2.601 2.455 3.687 . 0 0 "[ . 1 . 2]" 1
802 1 99 LEU H 1 99 LEU QB . . 3.310 2.503 2.416 2.642 . 0 0 "[ . 1 . 2]" 1
803 1 99 LEU H 1 99 LEU HB3 . . 3.800 3.568 2.707 3.627 . 0 0 "[ . 1 . 2]" 1
804 1 99 LEU H 1 99 LEU HG . . 4.510 2.283 2.193 2.416 . 0 0 "[ . 1 . 2]" 1
805 1 99 LEU H 1 100 GLU H . . 2.600 2.546 2.473 2.606 0.006 12 0 "[ . 1 . 2]" 1
806 1 99 LEU HA 1 102 MET H . . 4.340 3.439 3.309 3.534 . 0 0 "[ . 1 . 2]" 1
807 1 99 LEU HA 1 102 MET HB2 . . 5.210 3.913 3.036 5.256 0.046 18 0 "[ . 1 . 2]" 1
808 1 99 LEU HA 1 102 MET HB3 . . 5.210 4.546 2.652 4.943 . 0 0 "[ . 1 . 2]" 1
809 1 99 LEU HA 1 102 MET ME . . 3.700 2.034 1.934 2.283 . 0 0 "[ . 1 . 2]" 1
810 1 99 LEU QB 1 100 GLU H . . 4.210 2.517 2.250 3.638 . 0 0 "[ . 1 . 2]" 1
811 1 100 GLU H 1 100 GLU QB . . 3.640 2.489 2.301 2.863 . 0 0 "[ . 1 . 2]" 1
812 1 100 GLU H 1 100 GLU HG2 . . 3.810 3.134 2.273 3.645 . 0 0 "[ . 1 . 2]" 1
813 1 100 GLU H 1 100 GLU QG . . 3.140 2.364 2.077 2.683 . 0 0 "[ . 1 . 2]" 1
814 1 100 GLU H 1 100 GLU HG3 . . 3.810 2.804 2.089 3.811 0.001 17 0 "[ . 1 . 2]" 1
815 1 100 GLU H 1 101 ALA H . . 3.390 2.584 2.423 2.738 . 0 0 "[ . 1 . 2]" 1
816 1 100 GLU HA 1 100 GLU HG2 . . 4.180 2.705 2.459 4.203 0.023 12 0 "[ . 1 . 2]" 1
817 1 100 GLU HA 1 100 GLU QG . . 3.650 2.584 2.386 3.459 . 0 0 "[ . 1 . 2]" 1
818 1 100 GLU HA 1 100 GLU HG3 . . 4.180 3.392 3.085 3.781 . 0 0 "[ . 1 . 2]" 1
819 1 100 GLU HA 1 103 LYS H . . 4.630 3.554 2.984 3.836 . 0 0 "[ . 1 . 2]" 1
820 1 100 GLU HA 1 103 LYS QB . . 4.010 3.394 2.420 4.022 0.012 7 0 "[ . 1 . 2]" 1
821 1 100 GLU QB 1 100 GLU QG . . 2.310 2.055 1.960 2.093 . 0 0 "[ . 1 . 2]" 1
822 1 100 GLU HB2 1 101 ALA H . . 4.180 2.831 2.403 3.900 . 0 0 "[ . 1 . 2]" 1
823 1 100 GLU HB3 1 101 ALA H . . 4.180 3.717 3.269 4.214 0.034 12 0 "[ . 1 . 2]" 1
824 1 101 ALA H 1 101 ALA MB . . 3.140 2.247 2.215 2.294 . 0 0 "[ . 1 . 2]" 1
825 1 101 ALA H 1 102 MET H . . 3.390 2.621 2.478 2.761 . 0 0 "[ . 1 . 2]" 1
826 1 101 ALA HA 1 104 SER H . . 3.790 3.729 3.534 3.852 0.062 6 0 "[ . 1 . 2]" 1
827 1 101 ALA MB 1 102 MET H . . 3.560 2.642 2.463 2.776 . 0 0 "[ . 1 . 2]" 1
828 1 101 ALA MB 1 104 SER QB . . 4.360 4.163 3.802 4.395 0.035 6 0 "[ . 1 . 2]" 1
829 1 102 MET H 1 102 MET HB2 . . 4.140 2.947 2.291 3.679 . 0 0 "[ . 1 . 2]" 1
830 1 102 MET H 1 102 MET QB . . 3.560 2.552 2.038 2.705 . 0 0 "[ . 1 . 2]" 1
831 1 102 MET H 1 102 MET HB3 . . 4.140 3.281 2.285 3.714 . 0 0 "[ . 1 . 2]" 1
832 1 102 MET H 1 102 MET ME . . 4.060 3.967 3.744 4.205 0.145 13 0 "[ . 1 . 2]" 1
833 1 102 MET H 1 102 MET HG2 . . 4.000 3.020 2.125 4.076 0.076 14 0 "[ . 1 . 2]" 1
834 1 102 MET H 1 102 MET QG . . 3.430 2.371 2.098 3.629 0.199 14 0 "[ . 1 . 2]" 1
835 1 102 MET H 1 102 MET HG3 . . 4.000 2.824 2.401 4.071 0.071 14 0 "[ . 1 . 2]" 1
836 1 102 MET H 1 103 LYS H . . 3.870 2.637 2.519 2.733 . 0 0 "[ . 1 . 2]" 1
837 1 102 MET HA 1 102 MET HG2 . . 4.100 2.940 2.443 3.727 . 0 0 "[ . 1 . 2]" 1
838 1 102 MET HA 1 102 MET QG . . 3.260 2.713 2.258 3.321 0.061 3 0 "[ . 1 . 2]" 1
839 1 102 MET HA 1 102 MET HG3 . . 4.100 3.342 2.330 3.747 . 0 0 "[ . 1 . 2]" 1
840 1 102 MET HA 1 105 HIS H . . 4.650 3.380 3.073 3.702 . 0 0 "[ . 1 . 2]" 1
841 1 102 MET HA 1 105 HIS QB . . 4.620 2.566 2.273 2.879 . 0 0 "[ . 1 . 2]" 1
842 1 102 MET QB 1 102 MET ME . . 3.460 2.552 2.026 3.496 0.036 12 0 "[ . 1 . 2]" 1
843 1 102 MET QB 1 103 LYS H . . 3.940 2.885 2.368 3.660 . 0 0 "[ . 1 . 2]" 1
844 1 102 MET HB2 1 103 LYS H . . 4.810 3.110 2.410 4.016 . 0 0 "[ . 1 . 2]" 1
845 1 102 MET HB3 1 103 LYS H . . 4.810 3.712 2.555 4.222 . 0 0 "[ . 1 . 2]" 1
846 1 102 MET ME 1 103 LYS H . . 4.390 4.141 3.888 4.398 0.008 3 0 "[ . 1 . 2]" 1
847 1 102 MET ME 1 139 PHE QE . . 3.530 2.888 2.613 3.069 . 0 0 "[ . 1 . 2]" 1
848 1 102 MET ME 1 139 PHE HZ . . 3.440 2.019 1.887 2.276 . 0 0 "[ . 1 . 2]" 1
849 1 102 MET QG 1 106 CYS HG . . 4.800 4.006 2.384 4.625 . 0 0 "[ . 1 . 2]" 1
850 1 103 LYS H 1 103 LYS HB2 . . 3.640 3.143 2.112 3.650 0.010 18 0 "[ . 1 . 2]" 1
851 1 103 LYS H 1 103 LYS QB . . 3.190 2.416 2.057 2.576 . 0 0 "[ . 1 . 2]" 1
852 1 103 LYS H 1 103 LYS HB3 . . 3.640 2.641 2.422 3.555 . 0 0 "[ . 1 . 2]" 1
853 1 103 LYS H 1 103 LYS QE . . 4.990 4.357 3.676 4.613 . 0 0 "[ . 1 . 2]" 1
854 1 103 LYS H 1 104 SER H . . 3.860 2.769 2.664 2.926 . 0 0 "[ . 1 . 2]" 1
855 1 103 LYS HA 1 103 LYS HE2 . . 4.440 4.555 3.951 4.722 0.282 8 0 "[ . 1 . 2]" 1
856 1 103 LYS HA 1 103 LYS HE3 . . 4.440 4.364 4.142 4.672 0.232 9 0 "[ . 1 . 2]" 1
857 1 103 LYS HA 1 106 CYS H . . 4.390 3.424 3.210 3.711 . 0 0 "[ . 1 . 2]" 1
858 1 103 LYS HA 1 106 CYS HB2 . . 4.630 2.724 2.512 3.000 . 0 0 "[ . 1 . 2]" 1
859 1 103 LYS HA 1 106 CYS QB . . 4.030 2.697 2.491 2.966 . 0 0 "[ . 1 . 2]" 1
860 1 103 LYS HA 1 106 CYS HB3 . . 4.630 4.338 4.111 4.646 0.016 4 0 "[ . 1 . 2]" 1
861 1 103 LYS HA 1 139 PHE QE . . 3.870 2.495 2.271 3.113 . 0 0 "[ . 1 . 2]" 1
862 1 103 LYS QB 1 103 LYS QD . . 2.990 2.420 2.327 2.772 . 0 0 "[ . 1 . 2]" 1
863 1 103 LYS QB 1 103 LYS QE . . 3.730 1.825 1.762 2.045 . 0 0 "[ . 1 . 2]" 1
864 1 103 LYS HB2 1 103 LYS HE2 . . 5.270 2.566 2.368 3.623 . 0 0 "[ . 1 . 2]" 1
865 1 103 LYS HB2 1 103 LYS HE3 . . 5.270 2.616 1.879 4.961 . 0 0 "[ . 1 . 2]" 1
866 1 103 LYS HB2 1 104 SER H . . 3.850 3.543 1.844 3.788 . 0 0 "[ . 1 . 2]" 1
867 1 103 LYS HB3 1 103 LYS HE2 . . 5.270 3.035 1.890 3.748 . 0 0 "[ . 1 . 2]" 1
868 1 103 LYS HB3 1 103 LYS HE3 . . 5.270 2.668 1.942 3.663 . 0 0 "[ . 1 . 2]" 1
869 1 103 LYS HB3 1 104 SER H . . 3.850 3.258 2.142 3.894 0.044 5 0 "[ . 1 . 2]" 1
870 1 103 LYS QD 1 139 PHE HA . . 3.850 3.273 2.137 3.891 0.041 5 0 "[ . 1 . 2]" 1
871 1 103 LYS HD2 1 104 SER H . . 5.230 4.828 3.743 5.403 0.173 11 0 "[ . 1 . 2]" 1
872 1 103 LYS HD3 1 104 SER H . . 5.230 4.619 4.211 5.302 0.072 4 0 "[ . 1 . 2]" 1
873 1 103 LYS QE 1 103 LYS QG . . 3.110 2.266 2.087 2.634 . 0 0 "[ . 1 . 2]" 1
874 1 103 LYS QE 1 139 PHE HA . . 4.110 3.554 2.994 4.245 0.135 4 0 "[ . 1 . 2]" 1
875 1 103 LYS HE2 1 104 SER H . . 4.890 4.064 3.064 4.451 . 0 0 "[ . 1 . 2]" 1
876 1 103 LYS HE3 1 104 SER H . . 4.890 4.464 2.917 5.043 0.153 11 0 "[ . 1 . 2]" 1
877 1 104 SER H 1 104 SER QB . . 3.150 2.384 2.208 2.520 . 0 0 "[ . 1 . 2]" 1
878 1 104 SER H 1 105 HIS H . . 3.580 2.786 2.661 3.059 . 0 0 "[ . 1 . 2]" 1
879 1 104 SER HA 1 107 LEU H . . 4.170 3.817 3.537 4.176 0.006 8 0 "[ . 1 . 2]" 1
880 1 104 SER QB 1 105 HIS H . . 3.370 2.496 2.294 2.735 . 0 0 "[ . 1 . 2]" 1
881 1 105 HIS H 1 105 HIS HB2 . . 3.650 2.629 2.553 2.745 . 0 0 "[ . 1 . 2]" 1
882 1 105 HIS H 1 105 HIS HB3 . . 3.650 2.501 2.415 2.543 . 0 0 "[ . 1 . 2]" 1
883 1 105 HIS H 1 106 CYS H . . 3.600 2.704 2.539 2.794 . 0 0 "[ . 1 . 2]" 1
884 1 105 HIS HA 1 105 HIS HD2 . . 3.980 3.329 3.175 3.517 . 0 0 "[ . 1 . 2]" 1
885 1 105 HIS HA 1 108 LYS H . . 4.090 3.688 3.519 3.998 . 0 0 "[ . 1 . 2]" 1
886 1 105 HIS HA 1 108 LYS QB . . 3.540 2.735 2.317 3.135 . 0 0 "[ . 1 . 2]" 1
887 1 105 HIS HA 1 109 ASN H . . 4.320 4.247 4.005 4.384 0.064 6 0 "[ . 1 . 2]" 1
888 1 105 HIS HA 1 109 ASN HD21 . . 4.680 4.254 3.905 4.574 . 0 0 "[ . 1 . 2]" 1
889 1 105 HIS QB 1 106 CYS H . . 3.890 2.599 2.432 2.742 . 0 0 "[ . 1 . 2]" 1
890 1 105 HIS HB2 1 106 CYS H . . 4.600 3.942 3.808 4.031 . 0 0 "[ . 1 . 2]" 1
891 1 105 HIS HB3 1 106 CYS H . . 4.600 2.636 2.460 2.790 . 0 0 "[ . 1 . 2]" 1
892 1 105 HIS HD2 1 109 ASN HD21 . . 4.560 3.529 3.288 4.065 . 0 0 "[ . 1 . 2]" 1
893 1 105 HIS HE1 1 111 VAL HB . . 4.850 4.945 4.902 4.973 0.123 12 0 "[ . 1 . 2]" 1
894 1 106 CYS H 1 106 CYS QB . . 3.500 2.446 2.414 2.479 . 0 0 "[ . 1 . 2]" 1
895 1 106 CYS H 1 106 CYS HG . . 3.770 2.424 2.317 2.492 . 0 0 "[ . 1 . 2]" 1
896 1 106 CYS H 1 107 LEU H . . 3.890 2.809 2.654 2.981 . 0 0 "[ . 1 . 2]" 1
897 1 106 CYS HA 1 106 CYS HG . . 4.570 3.573 3.417 3.667 . 0 0 "[ . 1 . 2]" 1
898 1 106 CYS HA 1 111 VAL H . . 4.250 3.109 2.901 3.265 . 0 0 "[ . 1 . 2]" 1
899 1 106 CYS HA 1 111 VAL HB . . 3.660 2.042 1.936 2.275 . 0 0 "[ . 1 . 2]" 1
900 1 106 CYS QB 1 107 LEU H . . 3.250 2.471 2.357 2.616 . 0 0 "[ . 1 . 2]" 1
901 1 106 CYS QB 1 111 VAL HB . . 3.880 2.564 2.368 2.937 . 0 0 "[ . 1 . 2]" 1
902 1 106 CYS HB2 1 107 LEU H . . 3.990 2.524 2.404 2.677 . 0 0 "[ . 1 . 2]" 1
903 1 106 CYS HB2 1 111 VAL HB . . 4.490 4.026 3.807 4.399 . 0 0 "[ . 1 . 2]" 1
904 1 106 CYS HB3 1 107 LEU H . . 3.990 3.528 3.398 3.677 . 0 0 "[ . 1 . 2]" 1
905 1 106 CYS HB3 1 111 VAL HB . . 4.490 2.594 2.391 2.983 . 0 0 "[ . 1 . 2]" 1
906 1 107 LEU H 1 107 LEU HB2 . . 3.870 2.688 2.448 3.662 . 0 0 "[ . 1 . 2]" 1
907 1 107 LEU H 1 107 LEU QB . . 3.030 2.503 2.412 2.676 . 0 0 "[ . 1 . 2]" 1
908 1 107 LEU H 1 107 LEU HB3 . . 3.870 3.477 2.736 3.683 . 0 0 "[ . 1 . 2]" 1
909 1 107 LEU H 1 107 LEU HG . . 4.000 2.559 2.091 4.034 0.034 7 0 "[ . 1 . 2]" 1
910 1 107 LEU H 1 108 LYS H . . 3.430 2.664 2.594 2.748 . 0 0 "[ . 1 . 2]" 1
911 1 107 LEU HA 1 110 GLY H . . 4.480 3.489 3.311 3.928 . 0 0 "[ . 1 . 2]" 1
912 1 107 LEU QB 1 108 LYS H . . 3.660 2.776 2.344 3.685 0.025 3 0 "[ . 1 . 2]" 1
913 1 108 LYS H 1 108 LYS QB . . 3.040 2.282 2.163 2.514 . 0 0 "[ . 1 . 2]" 1
914 1 108 LYS H 1 108 LYS QD . . 4.580 4.142 3.324 4.630 0.050 5 0 "[ . 1 . 2]" 1
915 1 108 LYS HA 1 108 LYS HG2 . . 3.860 3.232 2.517 3.821 . 0 0 "[ . 1 . 2]" 1
916 1 108 LYS HA 1 108 LYS HG3 . . 3.860 3.006 2.478 3.800 . 0 0 "[ . 1 . 2]" 1
917 1 108 LYS QB 1 109 ASN H . . 3.680 2.608 2.426 2.940 . 0 0 "[ . 1 . 2]" 1
918 1 108 LYS QG 1 109 ASN H . . 4.050 3.784 3.560 4.018 . 0 0 "[ . 1 . 2]" 1
919 1 108 LYS HG2 1 109 ASN H . . 4.810 4.141 3.679 4.859 0.049 10 0 "[ . 1 . 2]" 1
920 1 108 LYS HG3 1 109 ASN H . . 4.810 4.623 3.777 4.855 0.045 12 0 "[ . 1 . 2]" 1
921 1 109 ASN H 1 109 ASN HB2 . . 4.020 2.546 2.416 3.716 . 0 0 "[ . 1 . 2]" 1
922 1 109 ASN H 1 109 ASN QB . . 3.450 2.471 2.383 2.911 . 0 0 "[ . 1 . 2]" 1
923 1 109 ASN H 1 109 ASN HB3 . . 4.020 3.663 3.041 3.732 . 0 0 "[ . 1 . 2]" 1
924 1 109 ASN H 1 109 ASN HD21 . . 4.570 3.946 3.701 4.115 . 0 0 "[ . 1 . 2]" 1
925 1 110 GLY H 1 111 VAL H . . 3.580 2.350 2.176 2.618 . 0 0 "[ . 1 . 2]" 1
926 1 111 VAL H 1 111 VAL HB . . 3.420 2.561 2.525 2.628 . 0 0 "[ . 1 . 2]" 1
927 1 111 VAL H 1 112 THR H . . 4.750 4.274 4.106 4.506 . 0 0 "[ . 1 . 2]" 1
928 1 111 VAL HA 1 112 THR H . . 3.170 2.126 2.051 2.190 . 0 0 "[ . 1 . 2]" 1
929 1 111 VAL HA 1 113 ASP H . . 3.900 3.472 3.281 3.825 . 0 0 "[ . 1 . 2]" 1
930 1 112 THR H 1 113 ASP H . . 3.240 2.116 1.813 2.471 . 0 0 "[ . 1 . 2]" 1
931 1 112 THR HA 1 144 ILE HG12 . . 4.680 2.522 2.046 4.176 . 0 0 "[ . 1 . 2]" 1
932 1 112 THR HA 1 145 LYS H . . 4.320 3.712 3.354 4.066 . 0 0 "[ . 1 . 2]" 1
933 1 113 ASP H 1 113 ASP QB . . 3.610 2.546 2.354 2.703 . 0 0 "[ . 1 . 2]" 1
934 1 113 ASP HA 1 114 LEU H . . 3.220 2.168 2.079 2.222 . 0 0 "[ . 1 . 2]" 1
935 1 113 ASP HA 1 145 LYS H . . 4.150 3.180 2.696 3.739 . 0 0 "[ . 1 . 2]" 1
936 1 113 ASP HA 1 145 LYS HB2 . . 4.600 3.345 2.363 4.652 0.052 6 0 "[ . 1 . 2]" 1
937 1 113 ASP HA 1 145 LYS QB . . 3.940 2.877 2.270 3.571 . 0 0 "[ . 1 . 2]" 1
938 1 113 ASP HA 1 145 LYS HB3 . . 4.600 3.978 2.285 4.636 0.036 12 0 "[ . 1 . 2]" 1
939 1 113 ASP HB2 1 114 LEU H . . 4.710 4.359 4.115 4.568 . 0 0 "[ . 1 . 2]" 1
940 1 113 ASP HB3 1 114 LEU H . . 4.710 3.733 3.117 4.410 . 0 0 "[ . 1 . 2]" 1
941 1 114 LEU H 1 114 LEU QB . . 3.490 2.505 2.342 2.615 . 0 0 "[ . 1 . 2]" 1
942 1 114 LEU H 1 114 LEU HG . . 5.250 4.790 4.702 4.854 . 0 0 "[ . 1 . 2]" 1
943 1 114 LEU H 1 145 LYS QB . . 4.930 3.610 2.852 4.234 . 0 0 "[ . 1 . 2]" 1
944 1 114 LEU HA 1 115 SER H . . 3.360 2.220 2.170 2.281 . 0 0 "[ . 1 . 2]" 1
945 1 114 LEU QB 1 115 SER H . . 4.310 3.754 3.574 3.819 . 0 0 "[ . 1 . 2]" 1
946 1 114 LEU QB 1 116 MET ME . . 3.380 3.465 3.291 3.549 0.169 18 0 "[ . 1 . 2]" 1
947 1 114 LEU QB 1 145 LYS H . . 5.210 4.473 3.797 5.146 . 0 0 "[ . 1 . 2]" 1
948 1 115 SER H 1 115 SER QB . . 3.710 2.637 2.286 3.010 . 0 0 "[ . 1 . 2]" 1
949 1 115 SER H 1 147 THR H . . 5.190 4.772 4.569 5.184 . 0 0 "[ . 1 . 2]" 1
950 1 115 SER HA 1 116 MET H . . 3.320 2.163 2.091 2.263 . 0 0 "[ . 1 . 2]" 1
951 1 115 SER HA 1 147 THR H . . 3.830 2.724 2.418 3.497 . 0 0 "[ . 1 . 2]" 1
952 1 115 SER HA 1 147 THR HB . . 4.880 2.997 2.239 3.933 . 0 0 "[ . 1 . 2]" 1
953 1 115 SER QB 1 116 MET H . . 4.010 3.101 2.613 3.815 . 0 0 "[ . 1 . 2]" 1
954 1 115 SER QB 1 149 TYR QD . . 4.580 2.967 2.287 4.549 . 0 0 "[ . 1 . 2]" 1
955 1 115 SER HB2 1 149 TYR QD . . 5.260 3.937 2.579 5.040 . 0 0 "[ . 1 . 2]" 1
956 1 115 SER HB3 1 149 TYR QD . . 5.260 3.472 2.304 5.180 . 0 0 "[ . 1 . 2]" 1
957 1 116 MET H 1 116 MET ME . . 4.860 4.126 3.477 4.460 . 0 0 "[ . 1 . 2]" 1
958 1 116 MET H 1 116 MET HG2 . . 4.400 2.604 2.364 3.262 . 0 0 "[ . 1 . 2]" 1
959 1 116 MET H 1 116 MET QG . . 3.630 2.523 2.306 3.165 . 0 0 "[ . 1 . 2]" 1
960 1 116 MET H 1 116 MET HG3 . . 4.400 3.388 3.163 4.270 . 0 0 "[ . 1 . 2]" 1
961 1 116 MET H 1 148 VAL HA . . 4.010 2.642 2.389 2.893 . 0 0 "[ . 1 . 2]" 1
962 1 116 MET QB 1 116 MET ME . . 3.240 2.055 1.956 2.154 . 0 0 "[ . 1 . 2]" 1
963 1 116 MET QB 1 117 PRO HD3 . . 4.090 3.088 2.697 3.494 . 0 0 "[ . 1 . 2]" 1
964 1 116 MET HB2 1 117 PRO HD2 . . 4.680 2.172 1.960 2.323 . 0 0 "[ . 1 . 2]" 1
965 1 116 MET HB2 1 117 PRO HD3 . . 4.720 3.188 2.757 3.639 . 0 0 "[ . 1 . 2]" 1
966 1 116 MET HB3 1 117 PRO HD2 . . 4.680 3.694 3.596 3.929 . 0 0 "[ . 1 . 2]" 1
967 1 116 MET HB3 1 117 PRO HD3 . . 4.720 4.148 3.823 4.509 . 0 0 "[ . 1 . 2]" 1
968 1 117 PRO HA 1 149 TYR H . . 4.300 2.736 2.329 3.203 . 0 0 "[ . 1 . 2]" 1
969 1 117 PRO QB 1 118 ARG H . . 3.750 2.096 1.877 2.611 . 0 0 "[ . 1 . 2]" 1
970 1 117 PRO HB2 1 118 ARG H . . 4.290 2.118 1.886 2.669 . 0 0 "[ . 1 . 2]" 1
971 1 117 PRO HB3 1 118 ARG H . . 4.290 3.403 3.172 3.698 . 0 0 "[ . 1 . 2]" 1
972 1 118 ARG H 1 118 ARG HG2 . . 4.540 3.629 2.561 4.592 0.052 10 0 "[ . 1 . 2]" 1
973 1 118 ARG H 1 118 ARG QG . . 3.950 2.578 2.356 3.797 . 0 0 "[ . 1 . 2]" 1
974 1 118 ARG H 1 118 ARG HG3 . . 4.540 2.695 2.396 4.049 . 0 0 "[ . 1 . 2]" 1
975 1 118 ARG HA 1 119 ILE H . . 3.410 2.171 2.042 2.244 . 0 0 "[ . 1 . 2]" 1
976 1 118 ARG HA 1 128 TRP HH2 . . 4.630 3.807 3.045 4.657 0.027 16 0 "[ . 1 . 2]" 1
977 1 118 ARG HA 1 128 TRP HZ3 . . 4.590 3.253 2.374 4.419 . 0 0 "[ . 1 . 2]" 1
978 1 118 ARG QB 1 118 ARG QD . . 3.260 2.238 2.036 2.681 . 0 0 "[ . 1 . 2]" 1
979 1 119 ILE H 1 119 ILE HG12 . . 3.960 2.621 1.957 3.828 . 0 0 "[ . 1 . 2]" 1
980 1 119 ILE H 1 120 GLY H . . 5.200 4.362 2.618 4.597 . 0 0 "[ . 1 . 2]" 1
981 1 119 ILE HA 1 120 GLY H . . 3.270 2.321 1.924 2.943 . 0 0 "[ . 1 . 2]" 1
982 1 119 ILE HA 1 122 GLY H . . 4.720 4.493 3.594 4.837 0.117 17 0 "[ . 1 . 2]" 1
983 1 119 ILE HB 1 120 GLY H . . 4.570 2.872 1.797 4.354 . 0 0 "[ . 1 . 2]" 1
984 1 120 GLY H 1 121 CYS H . . 4.380 2.799 1.851 4.202 . 0 0 "[ . 1 . 2]" 1
985 1 121 CYS H 1 121 CYS HB2 . . 4.180 3.705 2.496 4.130 . 0 0 "[ . 1 . 2]" 1
986 1 121 CYS H 1 121 CYS QB . . 3.610 3.099 2.453 3.458 . 0 0 "[ . 1 . 2]" 1
987 1 121 CYS H 1 121 CYS HB3 . . 4.180 3.475 2.677 4.181 0.001 19 0 "[ . 1 . 2]" 1
988 1 121 CYS H 1 121 CYS HG . . 3.690 3.083 2.414 3.723 0.033 2 0 "[ . 1 . 2]" 1
989 1 121 CYS H 1 122 GLY H . . 3.550 2.263 1.614 3.591 0.041 12 0 "[ . 1 . 2]" 1
990 1 121 CYS HA 1 126 LEU H . . 3.730 3.625 3.103 3.931 0.201 6 0 "[ . 1 . 2]" 1
991 1 121 CYS QB 1 128 TRP HE3 . . 5.050 4.363 3.567 5.102 0.052 17 0 "[ . 1 . 2]" 1
992 1 122 GLY H 1 123 LEU H . . 4.200 3.545 3.107 3.940 . 0 0 "[ . 1 . 2]" 1
993 1 122 GLY H 1 124 ASP H . . 4.140 3.191 2.793 3.714 . 0 0 "[ . 1 . 2]" 1
994 1 122 GLY H 1 125 ARG H . . 5.050 3.821 2.848 4.685 . 0 0 "[ . 1 . 2]" 1
995 1 123 LEU H 1 123 LEU QB . . 3.690 2.448 2.351 2.500 . 0 0 "[ . 1 . 2]" 1
996 1 123 LEU H 1 123 LEU HG . . 3.840 3.422 2.221 3.907 0.067 10 0 "[ . 1 . 2]" 1
997 1 123 LEU H 1 124 ASP H . . 4.050 2.445 2.294 2.576 . 0 0 "[ . 1 . 2]" 1
998 1 123 LEU HA 1 123 LEU HG . . 4.120 2.785 2.551 3.754 . 0 0 "[ . 1 . 2]" 1
999 1 123 LEU QB 1 124 ASP H . . 3.940 2.986 2.636 3.162 . 0 0 "[ . 1 . 2]" 1
1000 1 123 LEU HB2 1 124 ASP H . . 4.710 3.094 2.701 3.299 . 0 0 "[ . 1 . 2]" 1
1001 1 123 LEU HB3 1 124 ASP H . . 4.710 3.943 3.679 4.056 . 0 0 "[ . 1 . 2]" 1
1002 1 124 ASP H 1 124 ASP HB2 . . 3.850 2.841 2.367 3.562 . 0 0 "[ . 1 . 2]" 1
1003 1 124 ASP H 1 124 ASP QB . . 3.370 2.464 2.088 2.658 . 0 0 "[ . 1 . 2]" 1
1004 1 124 ASP H 1 124 ASP HB3 . . 3.850 3.009 2.188 3.608 . 0 0 "[ . 1 . 2]" 1
1005 1 124 ASP H 1 125 ARG H . . 3.700 2.599 2.379 2.754 . 0 0 "[ . 1 . 2]" 1
1006 1 125 ARG H 1 125 ARG QD . . 4.660 4.276 2.802 4.694 0.034 16 0 "[ . 1 . 2]" 1
1007 1 125 ARG H 1 125 ARG QG . . 3.620 2.831 2.592 3.173 . 0 0 "[ . 1 . 2]" 1
1008 1 125 ARG H 1 126 LEU H . . 4.160 2.682 2.520 2.963 . 0 0 "[ . 1 . 2]" 1
1009 1 125 ARG HA 1 125 ARG HD2 . . 4.300 4.071 2.903 4.457 0.157 15 0 "[ . 1 . 2]" 1
1010 1 125 ARG HA 1 125 ARG QD . . 3.770 3.493 2.029 3.882 0.112 6 0 "[ . 1 . 2]" 1
1011 1 125 ARG HA 1 125 ARG HD3 . . 4.300 3.871 2.067 4.514 0.214 2 0 "[ . 1 . 2]" 1
1012 1 125 ARG HA 1 125 ARG QG . . 3.370 2.484 2.199 3.112 . 0 0 "[ . 1 . 2]" 1
1013 1 125 ARG HB2 1 125 ARG HD2 . . 4.050 2.716 2.161 3.753 . 0 0 "[ . 1 . 2]" 1
1014 1 125 ARG HB2 1 125 ARG HD3 . . 4.050 3.303 2.778 3.763 . 0 0 "[ . 1 . 2]" 1
1015 1 125 ARG HB3 1 125 ARG HD2 . . 4.050 2.680 2.329 3.077 . 0 0 "[ . 1 . 2]" 1
1016 1 125 ARG HB3 1 125 ARG HD3 . . 4.050 2.858 2.353 3.656 . 0 0 "[ . 1 . 2]" 1
1017 1 126 LEU H 1 126 LEU QB . . 3.620 2.487 2.340 2.593 . 0 0 "[ . 1 . 2]" 1
1018 1 126 LEU H 1 126 LEU HG . . 3.930 2.806 2.492 3.998 0.068 20 0 "[ . 1 . 2]" 1
1019 1 126 LEU QB 1 127 GLN H . . 3.640 2.292 2.043 2.615 . 0 0 "[ . 1 . 2]" 1
1020 1 126 LEU HB2 1 127 GLN H . . 4.460 3.468 3.177 3.755 . 0 0 "[ . 1 . 2]" 1
1021 1 126 LEU HB3 1 127 GLN H . . 4.460 2.326 2.063 2.675 . 0 0 "[ . 1 . 2]" 1
1022 1 126 LEU HG 1 127 GLN H . . 5.370 4.823 3.775 5.059 . 0 0 "[ . 1 . 2]" 1
1023 1 127 GLN H 1 127 GLN HB2 . . 3.920 2.496 2.372 2.813 . 0 0 "[ . 1 . 2]" 1
1024 1 127 GLN H 1 127 GLN HB3 . . 4.110 3.558 2.496 3.721 . 0 0 "[ . 1 . 2]" 1
1025 1 127 GLN H 1 127 GLN QG . . 4.090 3.619 2.685 4.117 0.027 17 0 "[ . 1 . 2]" 1
1026 1 127 GLN HA 1 127 GLN QG . . 3.500 2.590 2.454 3.077 . 0 0 "[ . 1 . 2]" 1
1027 1 127 GLN HA 1 128 TRP H . . 3.370 2.127 2.044 2.221 . 0 0 "[ . 1 . 2]" 1
1028 1 127 GLN HB2 1 130 ASN H . . 4.380 3.374 2.913 4.547 0.167 11 0 "[ . 1 . 2]" 1
1029 1 127 GLN HB2 1 130 ASN HD21 . . 5.060 2.456 1.955 3.714 . 0 0 "[ . 1 . 2]" 1
1030 1 127 GLN HB3 1 127 GLN QG . . 2.590 2.146 2.123 2.292 . 0 0 "[ . 1 . 2]" 1
1031 1 127 GLN HB3 1 128 TRP H . . 4.660 3.318 3.045 4.162 . 0 0 "[ . 1 . 2]" 1
1032 1 127 GLN HB3 1 129 GLU H . . 4.050 2.974 2.372 3.926 . 0 0 "[ . 1 . 2]" 1
1033 1 127 GLN HB3 1 130 ASN H . . 3.730 3.202 2.794 3.404 . 0 0 "[ . 1 . 2]" 1
1034 1 127 GLN HB3 1 130 ASN HD21 . . 4.520 3.129 2.086 3.740 . 0 0 "[ . 1 . 2]" 1
1035 1 127 GLN QG 1 128 TRP H . . 4.580 3.974 2.648 4.589 0.009 12 0 "[ . 1 . 2]" 1
1036 1 127 GLN QG 1 129 GLU H . . 4.660 4.266 1.860 4.732 0.072 9 0 "[ . 1 . 2]" 1
1037 1 127 GLN QG 1 130 ASN H . . 4.660 4.550 2.663 4.792 0.132 1 0 "[ . 1 . 2]" 1
1038 1 128 TRP H 1 128 TRP HB2 . . 3.970 2.704 2.543 2.871 . 0 0 "[ . 1 . 2]" 1
1039 1 128 TRP H 1 128 TRP QB . . 3.480 2.274 2.213 2.343 . 0 0 "[ . 1 . 2]" 1
1040 1 128 TRP H 1 128 TRP HB3 . . 3.970 2.452 2.346 2.537 . 0 0 "[ . 1 . 2]" 1
1041 1 128 TRP H 1 129 GLU H . . 4.240 2.703 2.566 2.832 . 0 0 "[ . 1 . 2]" 1
1042 1 128 TRP HA 1 130 ASN H . . 4.760 4.004 3.675 4.304 . 0 0 "[ . 1 . 2]" 1
1043 1 128 TRP HA 1 131 VAL H . . 4.380 2.979 2.787 3.132 . 0 0 "[ . 1 . 2]" 1
1044 1 128 TRP HA 1 131 VAL HB . . 4.080 2.181 1.968 2.535 . 0 0 "[ . 1 . 2]" 1
1045 1 128 TRP HA 1 132 SER H . . 3.870 3.204 3.084 3.366 . 0 0 "[ . 1 . 2]" 1
1046 1 128 TRP HA 1 132 SER HB2 . . 4.530 4.435 4.288 4.541 0.011 17 0 "[ . 1 . 2]" 1
1047 1 128 TRP HA 1 132 SER HB3 . . 4.640 4.733 4.693 4.773 0.133 10 0 "[ . 1 . 2]" 1
1048 1 128 TRP QB 1 128 TRP HD1 . . 3.290 2.551 2.515 2.608 . 0 0 "[ . 1 . 2]" 1
1049 1 128 TRP QB 1 129 GLU H . . 4.380 2.933 2.770 3.090 . 0 0 "[ . 1 . 2]" 1
1050 1 128 TRP HB2 1 129 GLU H . . 5.240 4.160 4.041 4.293 . 0 0 "[ . 1 . 2]" 1
1051 1 128 TRP HB3 1 129 GLU H . . 5.240 2.998 2.821 3.168 . 0 0 "[ . 1 . 2]" 1
1052 1 128 TRP HD1 1 129 GLU HA . . 4.570 3.854 3.308 4.068 . 0 0 "[ . 1 . 2]" 1
1053 1 128 TRP HE1 1 132 SER H . . 5.500 5.187 4.983 5.502 0.002 20 0 "[ . 1 . 2]" 1
1054 1 128 TRP HE1 1 132 SER HB2 . . 4.510 2.990 2.723 3.394 . 0 0 "[ . 1 . 2]" 1
1055 1 128 TRP HE1 1 132 SER HB3 . . 4.260 3.829 3.558 4.257 . 0 0 "[ . 1 . 2]" 1
1056 1 128 TRP HE3 1 131 VAL HB . . 4.660 2.925 2.531 3.510 . 0 0 "[ . 1 . 2]" 1
1057 1 128 TRP HZ2 1 132 SER HB2 . . 4.540 3.143 3.026 3.321 . 0 0 "[ . 1 . 2]" 1
1058 1 128 TRP HZ2 1 132 SER HB3 . . 4.700 4.715 4.619 4.770 0.070 17 0 "[ . 1 . 2]" 1
1059 1 129 GLU H 1 129 GLU QB . . 3.520 2.388 2.150 2.666 . 0 0 "[ . 1 . 2]" 1
1060 1 129 GLU H 1 130 ASN H . . 4.290 2.777 2.601 2.861 . 0 0 "[ . 1 . 2]" 1
1061 1 129 GLU HA 1 129 GLU HG2 . . 4.110 2.901 2.485 3.806 . 0 0 "[ . 1 . 2]" 1
1062 1 129 GLU HA 1 129 GLU QG . . 3.550 2.536 2.387 2.979 . 0 0 "[ . 1 . 2]" 1
1063 1 129 GLU HA 1 129 GLU HG3 . . 4.110 3.061 2.553 3.780 . 0 0 "[ . 1 . 2]" 1
1064 1 129 GLU HA 1 132 SER H . . 5.040 4.125 3.773 4.449 . 0 0 "[ . 1 . 2]" 1
1065 1 129 GLU QB 1 130 ASN H . . 3.930 2.503 2.304 2.787 . 0 0 "[ . 1 . 2]" 1
1066 1 130 ASN H 1 130 ASN QB . . 3.520 2.543 2.457 2.610 . 0 0 "[ . 1 . 2]" 1
1067 1 130 ASN H 1 131 VAL H . . 3.630 2.486 2.378 2.634 . 0 0 "[ . 1 . 2]" 1
1068 1 130 ASN H 1 132 SER H . . 4.810 4.247 3.863 4.397 . 0 0 "[ . 1 . 2]" 1
1069 1 130 ASN HA 1 133 ALA H . . 4.650 3.790 3.512 4.052 . 0 0 "[ . 1 . 2]" 1
1070 1 130 ASN HA 1 133 ALA MB . . 3.880 2.888 2.616 3.121 . 0 0 "[ . 1 . 2]" 1
1071 1 130 ASN HB2 1 131 VAL H . . 4.400 2.448 2.221 2.702 . 0 0 "[ . 1 . 2]" 1
1072 1 130 ASN HB3 1 131 VAL H . . 4.400 3.628 3.480 3.845 . 0 0 "[ . 1 . 2]" 1
1073 1 131 VAL H 1 131 VAL HB . . 3.890 2.585 2.507 2.640 . 0 0 "[ . 1 . 2]" 1
1074 1 131 VAL H 1 132 SER H . . 3.820 2.796 2.635 2.917 . 0 0 "[ . 1 . 2]" 1
1075 1 131 VAL HA 1 134 MET H . . 4.280 3.531 3.298 3.777 . 0 0 "[ . 1 . 2]" 1
1076 1 131 VAL HA 1 134 MET HB2 . . 4.460 3.519 2.846 4.024 . 0 0 "[ . 1 . 2]" 1
1077 1 131 VAL HA 1 134 MET HB3 . . 3.910 2.745 2.389 3.001 . 0 0 "[ . 1 . 2]" 1
1078 1 131 VAL HA 1 134 MET ME . . 3.840 2.681 2.157 3.430 . 0 0 "[ . 1 . 2]" 1
1079 1 131 VAL HB 1 132 SER H . . 3.850 2.383 2.294 2.543 . 0 0 "[ . 1 . 2]" 1
1080 1 132 SER H 1 132 SER HB2 . . 4.080 2.531 2.477 2.581 . 0 0 "[ . 1 . 2]" 1
1081 1 132 SER H 1 132 SER HB3 . . 3.850 2.374 2.305 2.436 . 0 0 "[ . 1 . 2]" 1
1082 1 132 SER H 1 133 ALA H . . 3.860 2.802 2.700 2.958 . 0 0 "[ . 1 . 2]" 1
1083 1 132 SER HA 1 135 ILE H . . 4.530 3.448 3.305 3.595 . 0 0 "[ . 1 . 2]" 1
1084 1 132 SER HA 1 135 ILE HB . . 4.500 2.745 2.545 2.983 . 0 0 "[ . 1 . 2]" 1
1085 1 132 SER HA 1 136 GLU H . . 5.500 4.057 3.856 4.580 . 0 0 "[ . 1 . 2]" 1
1086 1 133 ALA H 1 133 ALA MB . . 3.200 2.230 2.186 2.250 . 0 0 "[ . 1 . 2]" 1
1087 1 133 ALA H 1 134 MET H . . 3.780 2.630 2.459 2.747 . 0 0 "[ . 1 . 2]" 1
1088 1 133 ALA HA 1 136 GLU H . . 4.280 3.532 3.355 3.746 . 0 0 "[ . 1 . 2]" 1
1089 1 133 ALA HA 1 136 GLU QB . . 3.920 3.263 2.352 4.005 0.085 14 0 "[ . 1 . 2]" 1
1090 1 133 ALA HA 1 136 GLU QG . . 4.870 2.783 1.878 4.020 . 0 0 "[ . 1 . 2]" 1
1091 1 133 ALA MB 1 134 MET H . . 3.570 2.573 2.330 2.762 . 0 0 "[ . 1 . 2]" 1
1092 1 134 MET H 1 134 MET HB2 . . 4.080 2.547 2.424 2.692 . 0 0 "[ . 1 . 2]" 1
1093 1 134 MET H 1 134 MET HB3 . . 3.420 2.497 2.435 2.559 . 0 0 "[ . 1 . 2]" 1
1094 1 134 MET H 1 134 MET ME . . 4.350 4.083 3.918 4.212 . 0 0 "[ . 1 . 2]" 1
1095 1 134 MET H 1 134 MET QG . . 4.110 3.973 3.930 3.999 . 0 0 "[ . 1 . 2]" 1
1096 1 134 MET H 1 135 ILE H . . 3.660 2.666 2.517 2.810 . 0 0 "[ . 1 . 2]" 1
1097 1 134 MET HA 1 134 MET HG2 . . 4.040 3.135 2.949 3.288 . 0 0 "[ . 1 . 2]" 1
1098 1 134 MET HA 1 134 MET HG3 . . 4.040 2.612 2.540 2.723 . 0 0 "[ . 1 . 2]" 1
1099 1 134 MET HA 1 137 GLU QB . . 3.370 2.801 2.347 3.490 0.120 2 0 "[ . 1 . 2]" 1
1100 1 134 MET HB2 1 135 ILE H . . 4.760 3.854 3.677 4.033 . 0 0 "[ . 1 . 2]" 1
1101 1 134 MET HB3 1 135 ILE H . . 4.800 2.533 2.297 2.793 . 0 0 "[ . 1 . 2]" 1
1102 1 134 MET ME 1 134 MET QG . . 3.240 2.482 2.441 2.532 . 0 0 "[ . 1 . 2]" 1
1103 1 134 MET QG 1 135 ILE H . . 4.590 3.588 3.408 3.785 . 0 0 "[ . 1 . 2]" 1
1104 1 134 MET HG2 1 135 ILE H . . 5.250 3.722 3.513 3.952 . 0 0 "[ . 1 . 2]" 1
1105 1 134 MET HG3 1 135 ILE H . . 5.250 4.711 4.597 4.840 . 0 0 "[ . 1 . 2]" 1
1106 1 135 ILE H 1 135 ILE HB . . 3.340 2.498 2.463 2.553 . 0 0 "[ . 1 . 2]" 1
1107 1 135 ILE H 1 135 ILE HG12 . . 4.850 3.344 3.235 3.415 . 0 0 "[ . 1 . 2]" 1
1108 1 135 ILE H 1 136 GLU H . . 3.770 2.740 2.593 2.852 . 0 0 "[ . 1 . 2]" 1
1109 1 135 ILE HA 1 138 VAL H . . 4.570 3.529 3.379 3.714 . 0 0 "[ . 1 . 2]" 1
1110 1 135 ILE HA 1 139 PHE QD . . 3.950 2.950 2.538 3.481 . 0 0 "[ . 1 . 2]" 1
1111 1 135 ILE HB 1 136 GLU H . . 3.990 2.499 2.327 2.619 . 0 0 "[ . 1 . 2]" 1
1112 1 136 GLU H 1 136 GLU QB . . 3.430 2.523 2.389 2.704 . 0 0 "[ . 1 . 2]" 1
1113 1 136 GLU H 1 136 GLU HG2 . . 3.990 3.382 2.067 3.666 . 0 0 "[ . 1 . 2]" 1
1114 1 136 GLU H 1 136 GLU HG3 . . 3.990 2.291 2.118 2.950 . 0 0 "[ . 1 . 2]" 1
1115 1 136 GLU H 1 137 GLU H . . 3.730 2.713 2.624 2.802 . 0 0 "[ . 1 . 2]" 1
1116 1 136 GLU HA 1 136 GLU QG . . 3.710 2.839 2.362 3.525 . 0 0 "[ . 1 . 2]" 1
1117 1 137 GLU H 1 137 GLU QB . . 2.970 2.300 2.058 2.495 . 0 0 "[ . 1 . 2]" 1
1118 1 137 GLU H 1 137 GLU HG2 . . 4.230 3.674 2.215 4.319 0.089 15 0 "[ . 1 . 2]" 1
1119 1 137 GLU H 1 137 GLU HG3 . . 4.230 3.425 2.234 4.327 0.097 8 0 "[ . 1 . 2]" 1
1120 1 137 GLU H 1 138 VAL H . . 3.680 2.545 2.453 2.616 . 0 0 "[ . 1 . 2]" 1
1121 1 137 GLU HA 1 137 GLU HG2 . . 4.130 2.942 2.480 3.807 . 0 0 "[ . 1 . 2]" 1
1122 1 137 GLU HA 1 137 GLU QG . . 3.610 2.583 2.373 3.330 . 0 0 "[ . 1 . 2]" 1
1123 1 137 GLU HA 1 137 GLU HG3 . . 4.130 3.058 2.488 3.771 . 0 0 "[ . 1 . 2]" 1
1124 1 137 GLU HA 1 140 GLU H . . 4.830 3.795 3.551 3.995 . 0 0 "[ . 1 . 2]" 1
1125 1 137 GLU HA 1 140 GLU QB . . 3.980 2.779 2.280 3.672 . 0 0 "[ . 1 . 2]" 1
1126 1 137 GLU QB 1 137 GLU QG . . 2.320 2.039 1.945 2.083 . 0 0 "[ . 1 . 2]" 1
1127 1 137 GLU QB 1 138 VAL H . . 3.450 2.524 2.179 3.499 0.049 2 0 "[ . 1 . 2]" 1
1128 1 137 GLU QG 1 138 VAL H . . 4.730 3.724 2.304 4.186 . 0 0 "[ . 1 . 2]" 1
1129 1 138 VAL H 1 138 VAL HB . . 3.420 2.491 2.432 2.597 . 0 0 "[ . 1 . 2]" 1
1130 1 138 VAL H 1 139 PHE H . . 3.740 2.684 2.532 2.848 . 0 0 "[ . 1 . 2]" 1
1131 1 138 VAL HB 1 139 PHE H . . 3.890 2.739 2.572 2.948 . 0 0 "[ . 1 . 2]" 1
1132 1 138 VAL HB 1 139 PHE QD . . 3.730 2.576 2.328 2.804 . 0 0 "[ . 1 . 2]" 1
1133 1 139 PHE H 1 139 PHE HB2 . . 4.020 2.452 2.416 2.490 . 0 0 "[ . 1 . 2]" 1
1134 1 139 PHE H 1 139 PHE QB . . 3.440 2.417 2.384 2.452 . 0 0 "[ . 1 . 2]" 1
1135 1 139 PHE H 1 139 PHE HB3 . . 4.020 3.656 3.634 3.678 . 0 0 "[ . 1 . 2]" 1
1136 1 139 PHE H 1 139 PHE QD . . 3.760 2.412 2.296 2.534 . 0 0 "[ . 1 . 2]" 1
1137 1 139 PHE H 1 140 GLU H . . 3.930 2.597 2.371 2.668 . 0 0 "[ . 1 . 2]" 1
1138 1 139 PHE HA 1 139 PHE QD . . 3.770 3.018 2.887 3.149 . 0 0 "[ . 1 . 2]" 1
1139 1 139 PHE HA 1 142 THR HG1 . . 4.840 2.860 2.327 3.112 . 0 0 "[ . 1 . 2]" 1
1140 1 139 PHE QB 1 142 THR HG1 . . 4.230 2.629 2.260 3.714 . 0 0 "[ . 1 . 2]" 1
1141 1 139 PHE HB2 1 142 THR HG1 . . 4.910 4.126 3.788 4.911 0.001 11 0 "[ . 1 . 2]" 1
1142 1 139 PHE HB3 1 142 THR HG1 . . 4.910 2.663 2.278 3.845 . 0 0 "[ . 1 . 2]" 1
1143 1 139 PHE QD 1 142 THR HG1 . . 4.050 3.515 3.202 4.112 0.062 11 0 "[ . 1 . 2]" 1
1144 1 139 PHE QD 1 144 ILE HB . . 3.540 2.410 2.181 2.980 . 0 0 "[ . 1 . 2]" 1
1145 1 140 GLU H 1 140 GLU HB2 . . 3.960 2.990 2.460 3.691 . 0 0 "[ . 1 . 2]" 1
1146 1 140 GLU H 1 140 GLU HB3 . . 3.960 2.592 2.431 2.862 . 0 0 "[ . 1 . 2]" 1
1147 1 140 GLU H 1 140 GLU QG . . 4.170 3.252 2.004 4.037 . 0 0 "[ . 1 . 2]" 1
1148 1 140 GLU H 1 141 ALA H . . 4.770 2.785 2.554 3.052 . 0 0 "[ . 1 . 2]" 1
1149 1 140 GLU HA 1 140 GLU QG . . 3.500 2.905 2.471 3.499 . 0 0 "[ . 1 . 2]" 1
1150 1 140 GLU HA 1 141 ALA H . . 3.320 3.414 3.345 3.452 0.132 6 0 "[ . 1 . 2]" 1
1151 1 140 GLU HA 1 142 THR H . . 4.430 3.908 3.298 4.461 0.031 1 0 "[ . 1 . 2]" 1
1152 1 140 GLU QB 1 141 ALA H . . 4.250 3.014 2.515 3.818 . 0 0 "[ . 1 . 2]" 1
1153 1 140 GLU QG 1 141 ALA H . . 3.860 3.233 2.115 3.730 . 0 0 "[ . 1 . 2]" 1
1154 1 140 GLU QG 1 141 ALA MB . . 4.000 3.433 2.400 4.081 0.081 7 0 "[ . 1 . 2]" 1
1155 1 141 ALA H 1 141 ALA MB . . 3.440 2.395 2.258 2.551 . 0 0 "[ . 1 . 2]" 1
1156 1 141 ALA H 1 142 THR H . . 3.720 2.752 2.296 3.466 . 0 0 "[ . 1 . 2]" 1
1157 1 141 ALA MB 1 142 THR H . . 4.500 3.506 3.233 3.733 . 0 0 "[ . 1 . 2]" 1
1158 1 142 THR H 1 142 THR HG1 . . 3.660 2.152 1.935 2.758 . 0 0 "[ . 1 . 2]" 1
1159 1 142 THR H 1 143 ASP H . . 4.620 4.455 4.299 4.532 . 0 0 "[ . 1 . 2]" 1
1160 1 142 THR HB 1 143 ASP H . . 3.630 2.386 2.010 3.535 . 0 0 "[ . 1 . 2]" 1
1161 1 142 THR HB 1 144 ILE H . . 4.340 2.427 2.181 2.616 . 0 0 "[ . 1 . 2]" 1
1162 1 143 ASP H 1 143 ASP QB . . 3.640 2.466 2.369 2.682 . 0 0 "[ . 1 . 2]" 1
1163 1 143 ASP H 1 144 ILE H . . 4.010 2.458 2.303 2.632 . 0 0 "[ . 1 . 2]" 1
1164 1 143 ASP H 1 144 ILE HB . . 4.800 4.682 4.451 4.809 0.009 15 0 "[ . 1 . 2]" 1
1165 1 144 ILE H 1 144 ILE HB . . 3.540 2.484 2.441 2.526 . 0 0 "[ . 1 . 2]" 1
1166 1 144 ILE H 1 144 ILE HG12 . . 4.640 3.478 3.298 3.998 . 0 0 "[ . 1 . 2]" 1
1167 1 144 ILE HA 1 144 ILE HG12 . . 4.210 2.620 2.506 3.738 . 0 0 "[ . 1 . 2]" 1
1168 1 144 ILE HA 1 145 LYS H . . 3.250 2.111 2.047 2.174 . 0 0 "[ . 1 . 2]" 1
1169 1 145 LYS H 1 145 LYS HB2 . . 3.940 2.510 2.350 2.723 . 0 0 "[ . 1 . 2]" 1
1170 1 145 LYS H 1 145 LYS QB . . 3.420 2.375 2.190 2.495 . 0 0 "[ . 1 . 2]" 1
1171 1 145 LYS H 1 145 LYS HB3 . . 3.940 3.294 2.373 3.699 . 0 0 "[ . 1 . 2]" 1
1172 1 145 LYS H 1 145 LYS QG . . 4.270 3.326 2.233 4.180 . 0 0 "[ . 1 . 2]" 1
1173 1 145 LYS HA 1 145 LYS QD . . 4.210 3.320 1.942 4.232 0.022 3 0 "[ . 1 . 2]" 1
1174 1 145 LYS HA 1 145 LYS HG2 . . 4.120 3.045 2.485 3.834 . 0 0 "[ . 1 . 2]" 1
1175 1 145 LYS HA 1 145 LYS HG3 . . 4.120 3.111 2.452 3.802 . 0 0 "[ . 1 . 2]" 1
1176 1 145 LYS HA 1 146 ILE H . . 3.370 2.128 2.047 2.208 . 0 0 "[ . 1 . 2]" 1
1177 1 145 LYS QB 1 146 ILE H . . 4.060 3.381 2.932 3.966 . 0 0 "[ . 1 . 2]" 1
1178 1 145 LYS HB2 1 146 ILE H . . 4.680 4.245 3.912 4.527 . 0 0 "[ . 1 . 2]" 1
1179 1 145 LYS HB3 1 146 ILE H . . 4.680 3.581 3.025 4.385 . 0 0 "[ . 1 . 2]" 1
1180 1 145 LYS QD 1 145 LYS QG . . 2.350 2.028 1.985 2.094 . 0 0 "[ . 1 . 2]" 1
1181 1 145 LYS QD 1 146 ILE H . . 4.910 4.401 2.188 5.049 0.139 20 0 "[ . 1 . 2]" 1
1182 1 146 ILE H 1 146 ILE HB . . 3.820 2.528 2.324 2.677 . 0 0 "[ . 1 . 2]" 1
1183 1 146 ILE H 1 146 ILE HG12 . . 4.730 3.948 3.731 4.139 . 0 0 "[ . 1 . 2]" 1
1184 1 146 ILE HA 1 147 THR H . . 3.240 1.960 1.876 2.114 . 0 0 "[ . 1 . 2]" 1
1185 1 147 THR H 1 147 THR HB . . 4.030 2.654 2.554 2.793 . 0 0 "[ . 1 . 2]" 1
1186 1 147 THR HA 1 148 VAL H . . 3.240 2.194 2.130 2.278 . 0 0 "[ . 1 . 2]" 1
1187 1 147 THR HB 1 149 TYR QD . . 4.900 4.079 3.799 4.310 . 0 0 "[ . 1 . 2]" 1
1188 1 147 THR HB 1 149 TYR QE . . 4.980 2.898 2.240 3.538 . 0 0 "[ . 1 . 2]" 1
1189 1 148 VAL H 1 148 VAL HB . . 3.920 3.738 3.217 3.836 . 0 0 "[ . 1 . 2]" 1
1190 1 148 VAL HA 1 149 TYR H . . 3.380 2.056 2.012 2.114 . 0 0 "[ . 1 . 2]" 1
1191 1 149 TYR H 1 149 TYR QB . . 3.690 2.387 2.326 2.440 . 0 0 "[ . 1 . 2]" 1
1192 1 149 TYR H 1 149 TYR QD . . 4.530 2.454 2.251 2.871 . 0 0 "[ . 1 . 2]" 1
1193 1 149 TYR HA 1 150 THR H . . 3.410 2.015 1.974 2.120 . 0 0 "[ . 1 . 2]" 1
1194 1 149 TYR QB 1 150 THR H . . 4.310 3.211 3.153 3.292 . 0 0 "[ . 1 . 2]" 1
1195 1 150 THR H 1 150 THR HB . . 3.910 2.682 2.473 3.644 . 0 0 "[ . 1 . 2]" 1
1196 1 150 THR H 1 151 LEU H . . 4.650 4.195 4.048 4.382 . 0 0 "[ . 1 . 2]" 1
1197 1 150 THR HA 1 151 LEU H . . 3.350 2.137 2.044 2.254 . 0 0 "[ . 1 . 2]" 1
1198 1 150 THR HB 1 151 LEU H . . 4.290 4.151 3.490 4.300 0.010 6 0 "[ . 1 . 2]" 1
1199 1 151 LEU H 1 151 LEU HB2 . . 4.150 2.758 2.395 3.801 . 0 0 "[ . 1 . 2]" 1
1200 1 151 LEU H 1 151 LEU QB . . 3.590 2.598 2.360 3.171 . 0 0 "[ . 1 . 2]" 1
1201 1 151 LEU H 1 151 LEU HB3 . . 4.150 3.585 3.326 3.759 . 0 0 "[ . 1 . 2]" 1
1202 1 151 LEU H 1 151 LEU HG . . 3.920 3.423 2.288 4.034 0.114 18 0 "[ . 1 . 2]" 1
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