NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627756 |
6fgn   |
34231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fgn
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 1540
_Distance_constraint_stats_list.Viol_count 3071
_Distance_constraint_stats_list.Viol_total 3074.120
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0164
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0050
_Distance_constraint_stats_list.Viol_average_violations_only 0.0501
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.287 0.067 16 0 "[ . 1 . 2]"
1 3 GLN 0.390 0.067 16 0 "[ . 1 . 2]"
1 4 SER 0.102 0.056 7 0 "[ . 1 . 2]"
1 5 PRO 0.391 0.063 18 0 "[ . 1 . 2]"
1 6 GLY 0.453 0.063 18 0 "[ . 1 . 2]"
1 7 ASP 1.243 0.092 19 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 2.235 0.087 2 0 "[ . 1 . 2]"
1 10 ARG 2.386 0.092 19 0 "[ . 1 . 2]"
1 11 LEU 1.242 0.106 16 0 "[ . 1 . 2]"
1 12 SER 1.876 0.106 16 0 "[ . 1 . 2]"
1 13 ILE 2.382 0.104 9 0 "[ . 1 . 2]"
1 14 GLN 2.248 0.085 19 0 "[ . 1 . 2]"
1 15 ARG 1.264 0.072 8 0 "[ . 1 . 2]"
1 16 ALA 2.597 0.087 13 0 "[ . 1 . 2]"
1 17 ILE 3.918 0.084 3 0 "[ . 1 . 2]"
1 18 GLN 1.899 0.100 13 0 "[ . 1 . 2]"
1 19 SER 2.223 0.084 3 0 "[ . 1 . 2]"
1 20 LEU 2.793 0.087 8 0 "[ . 1 . 2]"
1 21 VAL 4.062 0.100 3 0 "[ . 1 . 2]"
1 22 HIS 8.686 0.101 16 0 "[ . 1 . 2]"
1 23 ALA 2.395 0.092 8 0 "[ . 1 . 2]"
1 24 ALA 3.730 0.083 17 0 "[ . 1 . 2]"
1 25 GLN 2.747 0.100 3 0 "[ . 1 . 2]"
1 26 CYS 2.931 0.068 9 0 "[ . 1 . 2]"
1 27 ARG 0.349 0.072 1 0 "[ . 1 . 2]"
1 28 ASN 0.432 0.067 5 0 "[ . 1 . 2]"
1 29 ALA 1.001 0.075 3 0 "[ . 1 . 2]"
1 30 ASN 1.002 0.075 3 0 "[ . 1 . 2]"
1 31 CYS 1.430 0.070 14 0 "[ . 1 . 2]"
1 32 SER 0.946 0.056 8 0 "[ . 1 . 2]"
1 33 LEU 4.840 0.101 16 0 "[ . 1 . 2]"
1 34 PRO 0.109 0.057 9 0 "[ . 1 . 2]"
1 35 SER 0.288 0.066 19 0 "[ . 1 . 2]"
1 36 CYS 3.131 0.072 19 0 "[ . 1 . 2]"
1 37 GLN 1.682 0.063 19 0 "[ . 1 . 2]"
1 38 LYS 1.764 0.074 3 0 "[ . 1 . 2]"
1 39 MET 3.733 0.082 19 0 "[ . 1 . 2]"
1 40 LYS 2.969 0.081 8 0 "[ . 1 . 2]"
1 41 ARG 1.888 0.089 6 0 "[ . 1 . 2]"
1 42 VAL 5.173 0.102 18 0 "[ . 1 . 2]"
1 43 VAL 4.531 0.093 6 0 "[ . 1 . 2]"
1 44 GLN 1.925 0.074 14 0 "[ . 1 . 2]"
1 45 HIS 3.740 0.081 15 0 "[ . 1 . 2]"
1 46 THR 7.334 0.101 20 0 "[ . 1 . 2]"
1 47 LYS 3.131 0.101 20 0 "[ . 1 . 2]"
1 48 GLY 1.111 0.079 11 0 "[ . 1 . 2]"
1 49 CYS 2.766 0.088 4 0 "[ . 1 . 2]"
1 50 LYS 0.341 0.062 20 0 "[ . 1 . 2]"
1 51 ARG 1.542 0.087 14 0 "[ . 1 . 2]"
1 52 LYS 3.140 0.094 15 0 "[ . 1 . 2]"
1 53 THR 0.682 0.069 12 0 "[ . 1 . 2]"
1 54 ASN 0.308 0.080 15 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 1.316 0.080 15 0 "[ . 1 . 2]"
1 57 CYS 1.479 0.073 14 0 "[ . 1 . 2]"
1 58 PRO 2.620 0.095 7 0 "[ . 1 . 2]"
1 59 ILE 6.274 0.093 15 0 "[ . 1 . 2]"
1 60 CYS 4.121 0.106 14 0 "[ . 1 . 2]"
1 61 LYS 4.042 0.081 9 0 "[ . 1 . 2]"
1 62 GLN 2.241 0.095 7 0 "[ . 1 . 2]"
1 63 LEU 3.202 0.104 14 0 "[ . 1 . 2]"
1 64 ILE 5.324 0.107 2 0 "[ . 1 . 2]"
1 65 ALA 1.677 0.096 12 0 "[ . 1 . 2]"
1 66 LEU 5.963 0.106 4 0 "[ . 1 . 2]"
1 67 ALA 1.654 0.087 8 0 "[ . 1 . 2]"
1 68 ALA 0.342 0.063 2 0 "[ . 1 . 2]"
1 69 TYR 9.495 0.106 4 0 "[ . 1 . 2]"
1 70 HIS 6.877 0.081 10 0 "[ . 1 . 2]"
1 71 ALA 3.291 0.092 4 0 "[ . 1 . 2]"
1 72 LYS 4.367 0.082 11 0 "[ . 1 . 2]"
1 73 HIS 3.476 0.081 10 0 "[ . 1 . 2]"
1 74 CYS 4.542 0.092 4 0 "[ . 1 . 2]"
1 75 GLN 0.069 0.069 2 0 "[ . 1 . 2]"
1 76 GLU 3.501 0.074 5 0 "[ . 1 . 2]"
1 77 ASN 0.285 0.067 20 0 "[ . 1 . 2]"
1 78 LYS 1.093 0.091 3 0 "[ . 1 . 2]"
1 79 CYS 3.160 0.074 5 0 "[ . 1 . 2]"
1 80 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 VAL 5.221 0.086 10 0 "[ . 1 . 2]"
1 82 PRO 0.396 0.079 18 0 "[ . 1 . 2]"
1 83 PHE 8.389 0.104 14 0 "[ . 1 . 2]"
1 84 CYS 3.624 0.074 14 0 "[ . 1 . 2]"
1 85 LEU 2.301 0.091 9 0 "[ . 1 . 2]"
1 86 ASN 2.401 0.073 9 0 "[ . 1 . 2]"
1 87 ILE 3.198 0.082 11 0 "[ . 1 . 2]"
1 88 LYS 1.371 0.090 7 0 "[ . 1 . 2]"
1 89 GLN 1.917 0.091 9 0 "[ . 1 . 2]"
1 90 LYS 1.103 0.090 14 0 "[ . 1 . 2]"
1 91 GLY 0.403 0.085 5 0 "[ . 1 . 2]"
1 92 THR 1.162 0.090 14 0 "[ . 1 . 2]"
1 93 ILE 1.166 0.082 5 0 "[ . 1 . 2]"
1 94 GLU 1.720 0.086 4 0 "[ . 1 . 2]"
1 95 GLY 1.620 0.075 12 0 "[ . 1 . 2]"
1 96 ARG 1.686 0.085 9 0 "[ . 1 . 2]"
1 97 GLY 1.204 0.075 12 0 "[ . 1 . 2]"
1 98 ASN 0.209 0.064 18 0 "[ . 1 . 2]"
1 99 GLU 1.326 0.073 4 0 "[ . 1 . 2]"
1 100 PHE 6.284 0.107 2 0 "[ . 1 . 2]"
1 101 LEU 1.108 0.069 14 0 "[ . 1 . 2]"
1 102 SER 1.206 0.087 1 0 "[ . 1 . 2]"
1 103 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLU 1.297 0.116 3 0 "[ . 1 . 2]"
1 105 VAL 1.674 0.116 3 0 "[ . 1 . 2]"
1 106 PHE 4.734 0.105 16 0 "[ . 1 . 2]"
1 107 GLN 1.835 0.082 14 0 "[ . 1 . 2]"
1 108 HIS 2.558 0.096 3 0 "[ . 1 . 2]"
1 109 ILE 5.270 0.103 9 0 "[ . 1 . 2]"
1 110 TRP 6.337 0.086 12 0 "[ . 1 . 2]"
1 111 ASP 1.998 0.077 7 0 "[ . 1 . 2]"
1 112 PHE 5.751 0.102 18 0 "[ . 1 . 2]"
1 113 LEU 4.968 0.103 6 0 "[ . 1 . 2]"
1 114 GLU 1.512 0.098 16 0 "[ . 1 . 2]"
1 115 GLN 0.695 0.064 12 0 "[ . 1 . 2]"
1 116 PRO 0.373 0.071 20 0 "[ . 1 . 2]"
1 117 ILE 1.161 0.088 14 0 "[ . 1 . 2]"
1 118 SER 0.521 0.084 11 0 "[ . 1 . 2]"
1 119 SER 1.209 0.088 14 0 "[ . 1 . 2]"
1 120 VAL 2.441 0.106 14 0 "[ . 1 . 2]"
1 121 GLN 0.991 0.072 16 0 "[ . 1 . 2]"
1 122 PRO 0.500 0.081 5 0 "[ . 1 . 2]"
1 123 ILE 1.305 0.080 13 0 "[ . 1 . 2]"
1 124 ASP 0.676 0.079 19 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 1 ALA H1 1 2 THR H . . 4.620 4.114 2.190 4.519 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 3 GLN H . . 3.650 3.041 1.881 3.717 0.067 16 0 "[ . 1 . 2]" 1
3 1 3 GLN HA 1 4 SER H . . 3.520 2.582 2.119 3.576 0.056 7 0 "[ . 1 . 2]" 1
4 1 5 PRO HA 1 7 ASP H . . 5.050 3.763 3.291 4.621 . 0 0 "[ . 1 . 2]" 1
5 1 5 PRO QD 1 6 GLY H . . 4.830 4.000 2.533 4.893 0.063 18 0 "[ . 1 . 2]" 1
6 1 5 PRO QG 1 6 GLY H . . 4.710 3.855 2.205 4.768 0.058 20 0 "[ . 1 . 2]" 1
7 1 6 GLY H 1 7 ASP H . . 4.590 2.807 1.970 3.403 . 0 0 "[ . 1 . 2]" 1
8 1 6 GLY QA 1 7 ASP H . . 3.320 2.933 2.766 3.040 . 0 0 "[ . 1 . 2]" 1
9 1 6 GLY QA 1 7 ASP QB . . 4.780 4.585 4.357 4.827 0.047 20 0 "[ . 1 . 2]" 1
10 1 7 ASP H 1 7 ASP QB . . 3.230 2.347 2.046 2.755 . 0 0 "[ . 1 . 2]" 1
11 1 7 ASP H 1 8 SER H . . 4.250 2.655 2.231 3.119 . 0 0 "[ . 1 . 2]" 1
12 1 7 ASP HA 1 10 ARG H . . 4.560 3.583 3.102 4.007 . 0 0 "[ . 1 . 2]" 1
13 1 7 ASP QB 1 8 SER H . . 4.160 2.996 2.384 3.724 . 0 0 "[ . 1 . 2]" 1
14 1 7 ASP QB 1 10 ARG H . . 5.090 5.016 4.698 5.164 0.074 16 0 "[ . 1 . 2]" 1
15 1 7 ASP QB 1 10 ARG QB . . 5.130 5.044 4.574 5.222 0.092 19 0 "[ . 1 . 2]" 1
16 1 8 SER H 1 8 SER QB . . 3.780 2.363 2.089 2.906 . 0 0 "[ . 1 . 2]" 1
17 1 8 SER QB 1 9 ARG H . . 3.990 2.869 2.462 3.685 . 0 0 "[ . 1 . 2]" 1
18 1 9 ARG H 1 9 ARG QB . . 3.180 2.436 2.087 2.746 . 0 0 "[ . 1 . 2]" 1
19 1 9 ARG H 1 9 ARG QG . . 4.160 2.652 1.888 4.037 . 0 0 "[ . 1 . 2]" 1
20 1 9 ARG H 1 10 ARG H . . 3.350 2.780 2.492 3.067 . 0 0 "[ . 1 . 2]" 1
21 1 9 ARG HA 1 9 ARG QD . . 4.310 3.193 1.971 4.288 . 0 0 "[ . 1 . 2]" 1
22 1 9 ARG HA 1 9 ARG HG2 . . 3.850 2.918 2.384 3.758 . 0 0 "[ . 1 . 2]" 1
23 1 9 ARG HA 1 9 ARG HG3 . . 3.850 3.238 2.341 3.892 0.042 18 0 "[ . 1 . 2]" 1
24 1 9 ARG QB 1 10 ARG H . . 3.100 2.698 2.298 3.173 0.073 18 0 "[ . 1 . 2]" 1
25 1 9 ARG QB 1 12 SER H . . 5.240 4.992 4.555 5.287 0.047 19 0 "[ . 1 . 2]" 1
26 1 9 ARG QB 1 69 TYR QD . . 4.710 4.722 4.479 4.797 0.087 2 0 "[ . 1 . 2]" 1
27 1 9 ARG QB 1 69 TYR QE . . 4.170 4.235 4.179 4.254 0.084 12 0 "[ . 1 . 2]" 1
28 1 10 ARG H 1 10 ARG QB . . 3.220 2.385 2.066 2.775 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG H 1 10 ARG QD . . 4.600 4.071 3.485 4.676 0.076 10 0 "[ . 1 . 2]" 1
30 1 10 ARG H 1 10 ARG HG2 . . 4.190 2.642 2.129 3.181 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG H 1 10 ARG QG . . 3.460 2.586 2.103 3.088 . 0 0 "[ . 1 . 2]" 1
32 1 10 ARG H 1 10 ARG HG3 . . 4.190 3.743 3.150 4.197 0.007 4 0 "[ . 1 . 2]" 1
33 1 10 ARG HA 1 10 ARG QD . . 4.590 4.336 4.165 4.564 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG HA 1 13 ILE H . . 4.410 3.654 3.389 3.946 . 0 0 "[ . 1 . 2]" 1
35 1 10 ARG HA 1 13 ILE HB . . 4.150 2.733 2.198 3.116 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG HA 1 13 ILE MD . . 3.920 3.231 2.793 3.613 . 0 0 "[ . 1 . 2]" 1
37 1 10 ARG HA 1 14 GLN H . . 4.300 3.608 3.130 4.028 . 0 0 "[ . 1 . 2]" 1
38 1 10 ARG QB 1 11 LEU H . . 3.560 3.481 3.395 3.601 0.041 14 0 "[ . 1 . 2]" 1
39 1 10 ARG QB 1 12 SER H . . 5.500 5.232 4.924 5.407 . 0 0 "[ . 1 . 2]" 1
40 1 10 ARG QD 1 11 LEU HA . . 5.380 5.158 4.751 5.434 0.054 1 0 "[ . 1 . 2]" 1
41 1 10 ARG QG 1 11 LEU H . . 3.120 2.169 1.986 2.313 . 0 0 "[ . 1 . 2]" 1
42 1 10 ARG QG 1 11 LEU HA . . 4.030 3.374 3.160 3.620 . 0 0 "[ . 1 . 2]" 1
43 1 10 ARG QG 1 12 SER H . . 4.570 4.577 4.282 4.645 0.075 16 0 "[ . 1 . 2]" 1
44 1 11 LEU H 1 11 LEU MD1 . . 4.550 3.929 3.364 4.153 . 0 0 "[ . 1 . 2]" 1
45 1 11 LEU H 1 11 LEU QD . . 3.790 2.988 2.808 3.167 . 0 0 "[ . 1 . 2]" 1
46 1 11 LEU H 1 11 LEU MD2 . . 4.550 3.103 2.918 3.297 . 0 0 "[ . 1 . 2]" 1
47 1 11 LEU H 1 11 LEU HG . . 3.210 2.482 1.822 2.861 . 0 0 "[ . 1 . 2]" 1
48 1 11 LEU HA 1 11 LEU QD . . 4.230 3.382 2.289 3.462 . 0 0 "[ . 1 . 2]" 1
49 1 11 LEU HA 1 11 LEU HG . . 3.910 3.693 3.217 3.789 . 0 0 "[ . 1 . 2]" 1
50 1 11 LEU HA 1 12 SER H . . 3.500 3.535 3.453 3.564 0.064 20 0 "[ . 1 . 2]" 1
51 1 11 LEU QD 1 12 SER H . . 4.290 2.844 2.589 3.571 . 0 0 "[ . 1 . 2]" 1
52 1 11 LEU QD 1 12 SER HA . . 4.870 2.862 2.551 4.949 0.079 16 0 "[ . 1 . 2]" 1
53 1 11 LEU QD 1 12 SER QB . . 4.640 2.967 2.507 4.746 0.106 16 0 "[ . 1 . 2]" 1
54 1 11 LEU HG 1 12 SER H . . 3.700 2.383 1.823 3.755 0.055 16 0 "[ . 1 . 2]" 1
55 1 12 SER H 1 12 SER HB2 . . 3.620 2.696 2.288 3.627 0.007 20 0 "[ . 1 . 2]" 1
56 1 12 SER H 1 12 SER QB . . 3.060 2.309 2.107 2.823 . 0 0 "[ . 1 . 2]" 1
57 1 12 SER H 1 12 SER HB3 . . 3.620 2.651 2.200 3.612 . 0 0 "[ . 1 . 2]" 1
58 1 12 SER QB 1 13 ILE H . . 3.870 2.657 2.292 3.589 . 0 0 "[ . 1 . 2]" 1
59 1 12 SER HB2 1 13 ILE H . . 4.590 3.643 2.464 3.965 . 0 0 "[ . 1 . 2]" 1
60 1 12 SER HB3 1 13 ILE H . . 4.590 2.930 2.318 4.100 . 0 0 "[ . 1 . 2]" 1
61 1 13 ILE H 1 13 ILE HB . . 3.310 2.327 2.252 2.428 . 0 0 "[ . 1 . 2]" 1
62 1 13 ILE H 1 13 ILE MD . . 4.200 3.460 3.206 3.672 . 0 0 "[ . 1 . 2]" 1
63 1 13 ILE H 1 13 ILE QG . . 3.540 2.327 2.208 2.458 . 0 0 "[ . 1 . 2]" 1
64 1 13 ILE H 1 13 ILE MG . . 4.200 3.697 3.659 3.741 . 0 0 "[ . 1 . 2]" 1
65 1 13 ILE H 1 106 PHE HZ . . 5.500 5.333 4.863 5.556 0.056 15 0 "[ . 1 . 2]" 1
66 1 13 ILE HA 1 13 ILE MD . . 4.090 3.850 3.787 3.893 . 0 0 "[ . 1 . 2]" 1
67 1 13 ILE HA 1 13 ILE MG . . 3.500 2.479 2.373 2.640 . 0 0 "[ . 1 . 2]" 1
68 1 13 ILE HA 1 15 ARG H . . 4.950 4.280 3.985 4.514 . 0 0 "[ . 1 . 2]" 1
69 1 13 ILE HA 1 16 ALA H . . 3.870 3.584 3.284 3.837 . 0 0 "[ . 1 . 2]" 1
70 1 13 ILE HA 1 16 ALA MB . . 3.610 3.247 2.806 3.637 0.027 4 0 "[ . 1 . 2]" 1
71 1 13 ILE HA 1 66 LEU QD . . 3.690 3.096 2.704 3.357 . 0 0 "[ . 1 . 2]" 1
72 1 13 ILE HA 1 106 PHE QE . . 4.440 3.505 2.822 3.858 . 0 0 "[ . 1 . 2]" 1
73 1 13 ILE HA 1 106 PHE HZ . . 4.260 2.807 2.424 3.087 . 0 0 "[ . 1 . 2]" 1
74 1 13 ILE HB 1 13 ILE MD . . 3.580 2.361 2.301 2.460 . 0 0 "[ . 1 . 2]" 1
75 1 13 ILE HB 1 14 GLN H . . 3.340 2.691 2.447 2.913 . 0 0 "[ . 1 . 2]" 1
76 1 13 ILE HB 1 66 LEU QD . . 4.150 4.165 3.968 4.254 0.104 9 0 "[ . 1 . 2]" 1
77 1 13 ILE HB 1 69 TYR QD . . 4.760 4.241 3.985 4.553 . 0 0 "[ . 1 . 2]" 1
78 1 13 ILE HB 1 69 TYR QE . . 4.110 3.603 3.190 3.843 . 0 0 "[ . 1 . 2]" 1
79 1 13 ILE HB 1 106 PHE HZ . . 5.500 5.416 4.787 5.566 0.066 5 0 "[ . 1 . 2]" 1
80 1 13 ILE MD 1 66 LEU QD . . 3.560 3.059 2.355 3.631 0.071 18 0 "[ . 1 . 2]" 1
81 1 13 ILE MD 1 69 TYR HB2 . . 5.500 3.376 3.076 3.708 . 0 0 "[ . 1 . 2]" 1
82 1 13 ILE MD 1 69 TYR HB3 . . 5.500 3.852 3.280 4.393 . 0 0 "[ . 1 . 2]" 1
83 1 13 ILE MD 1 69 TYR QD . . 4.190 2.870 2.540 3.160 . 0 0 "[ . 1 . 2]" 1
84 1 13 ILE MD 1 69 TYR QE . . 4.600 3.228 2.827 3.495 . 0 0 "[ . 1 . 2]" 1
85 1 13 ILE MD 1 106 PHE QE . . 5.210 4.596 3.676 5.112 . 0 0 "[ . 1 . 2]" 1
86 1 13 ILE QG 1 14 GLN H . . 4.660 4.294 4.173 4.395 . 0 0 "[ . 1 . 2]" 1
87 1 13 ILE QG 1 66 LEU HA . . 4.880 4.843 4.578 4.935 0.055 19 0 "[ . 1 . 2]" 1
88 1 13 ILE QG 1 66 LEU QD . . 3.130 2.506 2.264 2.968 . 0 0 "[ . 1 . 2]" 1
89 1 13 ILE QG 1 69 TYR HB2 . . 5.500 5.269 5.028 5.539 0.039 15 0 "[ . 1 . 2]" 1
90 1 13 ILE QG 1 69 TYR HB3 . . 5.500 5.245 5.068 5.507 0.007 4 0 "[ . 1 . 2]" 1
91 1 13 ILE QG 1 106 PHE QE . . 3.790 3.360 2.411 3.844 0.054 16 0 "[ . 1 . 2]" 1
92 1 13 ILE QG 1 106 PHE HZ . . 3.560 3.101 2.420 3.616 0.056 18 0 "[ . 1 . 2]" 1
93 1 13 ILE MG 1 14 GLN H . . 3.640 3.120 2.926 3.358 . 0 0 "[ . 1 . 2]" 1
94 1 13 ILE MG 1 14 GLN HA . . 4.080 3.339 3.155 3.501 . 0 0 "[ . 1 . 2]" 1
95 1 13 ILE MG 1 14 GLN QG . . 4.440 3.642 3.117 4.507 0.067 12 0 "[ . 1 . 2]" 1
96 1 13 ILE MG 1 16 ALA H . . 4.780 4.511 4.158 4.764 . 0 0 "[ . 1 . 2]" 1
97 1 13 ILE MG 1 17 ILE H . . 4.500 3.810 3.450 4.111 . 0 0 "[ . 1 . 2]" 1
98 1 13 ILE MG 1 17 ILE MD . . 3.240 1.984 1.924 2.090 . 0 0 "[ . 1 . 2]" 1
99 1 13 ILE MG 1 17 ILE QG . . 4.520 2.565 2.206 3.368 . 0 0 "[ . 1 . 2]" 1
100 1 13 ILE MG 1 66 LEU HA . . 4.870 3.164 3.018 3.436 . 0 0 "[ . 1 . 2]" 1
101 1 13 ILE MG 1 66 LEU QD . . 3.490 1.996 1.866 2.218 . 0 0 "[ . 1 . 2]" 1
102 1 13 ILE MG 1 69 TYR HB2 . . 5.260 3.498 3.251 3.785 . 0 0 "[ . 1 . 2]" 1
103 1 13 ILE MG 1 69 TYR HB3 . . 5.260 3.025 2.792 3.217 . 0 0 "[ . 1 . 2]" 1
104 1 13 ILE MG 1 69 TYR QD . . 3.130 2.650 2.485 2.768 . 0 0 "[ . 1 . 2]" 1
105 1 13 ILE MG 1 69 TYR QE . . 2.990 2.762 2.484 3.019 0.029 4 0 "[ . 1 . 2]" 1
106 1 13 ILE MG 1 106 PHE QE . . 4.720 4.235 3.880 4.653 . 0 0 "[ . 1 . 2]" 1
107 1 13 ILE MG 1 106 PHE HZ . . 3.960 3.543 2.943 4.007 0.047 7 0 "[ . 1 . 2]" 1
108 1 14 GLN H 1 14 GLN QG . . 3.600 2.594 2.217 3.685 0.085 19 0 "[ . 1 . 2]" 1
109 1 14 GLN H 1 17 ILE H . . 4.980 4.845 4.684 5.032 0.052 4 0 "[ . 1 . 2]" 1
110 1 14 GLN H 1 17 ILE MD . . 4.880 4.381 4.000 4.877 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLN H 1 66 LEU QD . . 5.400 5.196 4.813 5.438 0.038 13 0 "[ . 1 . 2]" 1
112 1 14 GLN H 1 69 TYR QE . . 4.160 4.171 3.757 4.243 0.083 3 0 "[ . 1 . 2]" 1
113 1 14 GLN HA 1 14 GLN HG2 . . 3.950 2.637 2.287 2.860 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLN HA 1 14 GLN HG3 . . 3.950 3.161 2.069 3.749 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLN HA 1 17 ILE H . . 4.070 3.295 2.993 3.587 . 0 0 "[ . 1 . 2]" 1
116 1 14 GLN HA 1 17 ILE HB . . 4.060 2.221 2.017 2.599 . 0 0 "[ . 1 . 2]" 1
117 1 14 GLN HA 1 17 ILE MD . . 3.770 3.159 2.418 3.719 . 0 0 "[ . 1 . 2]" 1
118 1 14 GLN HA 1 17 ILE MG . . 4.390 3.617 3.346 4.024 . 0 0 "[ . 1 . 2]" 1
119 1 14 GLN HA 1 69 TYR QE . . 4.010 3.671 3.065 3.900 . 0 0 "[ . 1 . 2]" 1
120 1 14 GLN QB 1 15 ARG H . . 3.450 2.854 2.519 3.081 . 0 0 "[ . 1 . 2]" 1
121 1 14 GLN QB 1 16 ALA H . . 5.050 4.866 4.676 5.094 0.044 6 0 "[ . 1 . 2]" 1
122 1 14 GLN QB 1 17 ILE MD . . 5.500 4.763 3.887 5.354 . 0 0 "[ . 1 . 2]" 1
123 1 14 GLN QG 1 69 TYR QE . . 3.850 2.787 2.389 3.097 . 0 0 "[ . 1 . 2]" 1
124 1 14 GLN QG 1 73 HIS HE1 . . 5.340 5.074 4.016 5.408 0.068 6 0 "[ . 1 . 2]" 1
125 1 14 GLN HG2 1 69 TYR QE . . 4.390 3.235 2.580 4.438 0.048 12 0 "[ . 1 . 2]" 1
126 1 14 GLN HG3 1 69 TYR QE . . 4.390 3.570 2.641 4.460 0.070 9 0 "[ . 1 . 2]" 1
127 1 15 ARG H 1 15 ARG QB . . 2.900 2.261 2.108 2.558 . 0 0 "[ . 1 . 2]" 1
128 1 15 ARG H 1 15 ARG QD . . 4.750 4.291 3.325 4.798 0.048 12 0 "[ . 1 . 2]" 1
129 1 15 ARG H 1 15 ARG QG . . 3.980 3.507 2.087 4.045 0.065 2 0 "[ . 1 . 2]" 1
130 1 15 ARG H 1 16 ALA H . . 3.120 2.813 2.630 3.001 . 0 0 "[ . 1 . 2]" 1
131 1 15 ARG H 1 16 ALA MB . . 4.680 4.516 4.348 4.712 0.032 14 0 "[ . 1 . 2]" 1
132 1 15 ARG HA 1 15 ARG QD . . 4.170 3.561 2.044 4.228 0.058 18 0 "[ . 1 . 2]" 1
133 1 15 ARG HA 1 15 ARG QG . . 3.660 2.584 2.259 3.200 . 0 0 "[ . 1 . 2]" 1
134 1 15 ARG HA 1 18 GLN QB . . 3.530 3.353 2.809 3.602 0.072 8 0 "[ . 1 . 2]" 1
135 1 15 ARG HA 1 18 GLN QG . . 4.400 3.455 2.541 4.131 . 0 0 "[ . 1 . 2]" 1
136 1 15 ARG QB 1 16 ALA H . . 3.200 2.676 2.447 3.005 . 0 0 "[ . 1 . 2]" 1
137 1 15 ARG QB 1 16 ALA HA . . 4.710 4.189 3.832 4.420 . 0 0 "[ . 1 . 2]" 1
138 1 15 ARG QG 1 16 ALA H . . 4.330 3.930 3.068 4.399 0.069 7 0 "[ . 1 . 2]" 1
139 1 16 ALA H 1 16 ALA MB . . 2.870 2.260 2.220 2.318 . 0 0 "[ . 1 . 2]" 1
140 1 16 ALA H 1 17 ILE H . . 3.320 2.524 2.323 2.754 . 0 0 "[ . 1 . 2]" 1
141 1 16 ALA H 1 66 LEU QD . . 4.480 4.266 3.704 4.567 0.087 13 0 "[ . 1 . 2]" 1
142 1 16 ALA HA 1 110 TRP HE1 . . 5.500 5.464 5.132 5.563 0.063 11 0 "[ . 1 . 2]" 1
143 1 16 ALA MB 1 17 ILE H . . 3.390 2.409 2.142 2.770 . 0 0 "[ . 1 . 2]" 1
144 1 16 ALA MB 1 18 GLN H . . 4.660 4.615 4.485 4.714 0.054 15 0 "[ . 1 . 2]" 1
145 1 16 ALA MB 1 19 SER H . . 4.930 4.844 4.592 5.000 0.070 17 0 "[ . 1 . 2]" 1
146 1 16 ALA MB 1 66 LEU QD . . 3.300 2.313 1.924 2.679 . 0 0 "[ . 1 . 2]" 1
147 1 16 ALA MB 1 110 TRP HE1 . . 4.570 2.997 2.782 3.190 . 0 0 "[ . 1 . 2]" 1
148 1 16 ALA MB 1 110 TRP HE3 . . 4.530 4.309 3.878 4.595 0.065 11 0 "[ . 1 . 2]" 1
149 1 16 ALA MB 1 110 TRP HH2 . . 3.940 3.734 3.260 4.002 0.062 13 0 "[ . 1 . 2]" 1
150 1 16 ALA MB 1 110 TRP HZ2 . . 3.880 2.998 2.637 3.292 . 0 0 "[ . 1 . 2]" 1
151 1 16 ALA MB 1 110 TRP HZ3 . . 4.410 4.330 3.996 4.485 0.075 11 0 "[ . 1 . 2]" 1
152 1 17 ILE H 1 17 ILE HB . . 3.180 2.421 2.228 2.543 . 0 0 "[ . 1 . 2]" 1
153 1 17 ILE H 1 17 ILE MD . . 4.000 3.648 3.115 3.868 . 0 0 "[ . 1 . 2]" 1
154 1 17 ILE H 1 17 ILE QG . . 3.680 2.179 1.950 2.563 . 0 0 "[ . 1 . 2]" 1
155 1 17 ILE H 1 17 ILE MG . . 3.900 3.769 3.690 3.806 . 0 0 "[ . 1 . 2]" 1
156 1 17 ILE H 1 18 GLN H . . 3.340 2.935 2.591 3.110 . 0 0 "[ . 1 . 2]" 1
157 1 17 ILE H 1 19 SER H . . 4.730 4.478 4.221 4.611 . 0 0 "[ . 1 . 2]" 1
158 1 17 ILE H 1 66 LEU QD . . 4.240 3.446 3.052 3.880 . 0 0 "[ . 1 . 2]" 1
159 1 17 ILE HA 1 17 ILE MD . . 3.860 3.717 3.640 3.813 . 0 0 "[ . 1 . 2]" 1
160 1 17 ILE HA 1 17 ILE MG . . 3.470 2.550 2.451 2.670 . 0 0 "[ . 1 . 2]" 1
161 1 17 ILE HA 1 18 GLN HA . . 5.410 4.824 4.738 4.902 . 0 0 "[ . 1 . 2]" 1
162 1 17 ILE HA 1 19 SER H . . 4.630 4.101 3.945 4.495 . 0 0 "[ . 1 . 2]" 1
163 1 17 ILE HA 1 20 LEU H . . 3.800 3.092 2.895 3.340 . 0 0 "[ . 1 . 2]" 1
164 1 17 ILE HA 1 20 LEU QD . . 4.970 2.855 2.468 3.198 . 0 0 "[ . 1 . 2]" 1
165 1 17 ILE HA 1 21 VAL H . . 4.560 3.461 3.286 3.626 . 0 0 "[ . 1 . 2]" 1
166 1 17 ILE HA 1 66 LEU HB3 . . 4.950 4.665 4.146 5.002 0.052 2 0 "[ . 1 . 2]" 1
167 1 17 ILE HB 1 17 ILE MD . . 3.610 2.471 2.246 2.567 . 0 0 "[ . 1 . 2]" 1
168 1 17 ILE HB 1 18 GLN H . . 4.000 3.013 2.837 3.147 . 0 0 "[ . 1 . 2]" 1
169 1 17 ILE HB 1 66 LEU QD . . 4.950 4.273 3.958 4.810 . 0 0 "[ . 1 . 2]" 1
170 1 17 ILE HB 1 69 TYR QD . . 5.280 4.882 4.557 5.062 . 0 0 "[ . 1 . 2]" 1
171 1 17 ILE HB 1 69 TYR QE . . 4.350 4.219 3.862 4.413 0.063 18 0 "[ . 1 . 2]" 1
172 1 17 ILE MD 1 17 ILE MG . . 3.220 2.055 2.007 2.239 . 0 0 "[ . 1 . 2]" 1
173 1 17 ILE MD 1 18 GLN H . . 5.150 5.015 4.713 5.180 0.030 20 0 "[ . 1 . 2]" 1
174 1 17 ILE MD 1 66 LEU H . . 5.250 5.035 4.726 5.317 0.067 3 0 "[ . 1 . 2]" 1
175 1 17 ILE MD 1 66 LEU HA . . 4.170 2.804 2.388 3.286 . 0 0 "[ . 1 . 2]" 1
176 1 17 ILE MD 1 69 TYR HB2 . . 4.810 4.401 4.154 4.628 . 0 0 "[ . 1 . 2]" 1
177 1 17 ILE MD 1 69 TYR QB . . 4.110 3.022 2.814 3.215 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE MD 1 69 TYR HB3 . . 4.810 3.079 2.856 3.280 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE MD 1 69 TYR QD . . 2.950 2.042 1.987 2.083 . 0 0 "[ . 1 . 2]" 1
180 1 17 ILE MD 1 69 TYR QE . . 3.460 2.452 2.276 2.790 . 0 0 "[ . 1 . 2]" 1
181 1 17 ILE MD 1 70 HIS HA . . 4.210 3.463 3.258 3.651 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE MD 1 70 HIS HB2 . . 3.730 2.119 2.032 2.207 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE MD 1 70 HIS HB3 . . 4.880 2.846 2.534 3.181 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE QG 1 18 GLN H . . 4.920 4.322 4.205 4.477 . 0 0 "[ . 1 . 2]" 1
185 1 17 ILE QG 1 20 LEU H . . 5.060 4.933 4.671 5.115 0.055 16 0 "[ . 1 . 2]" 1
186 1 17 ILE QG 1 66 LEU QD . . 4.300 2.157 1.945 2.800 . 0 0 "[ . 1 . 2]" 1
187 1 17 ILE QG 1 69 TYR QD . . 4.010 4.043 3.906 4.087 0.077 9 0 "[ . 1 . 2]" 1
188 1 17 ILE QG 1 69 TYR QE . . 4.490 4.493 4.348 4.568 0.078 7 0 "[ . 1 . 2]" 1
189 1 17 ILE MG 1 18 GLN H . . 3.890 3.499 3.061 3.686 . 0 0 "[ . 1 . 2]" 1
190 1 17 ILE MG 1 18 GLN HA . . 4.140 3.463 3.153 3.689 . 0 0 "[ . 1 . 2]" 1
191 1 17 ILE MG 1 19 SER H . . 4.840 4.900 4.813 4.924 0.084 3 0 "[ . 1 . 2]" 1
192 1 17 ILE MG 1 20 LEU H . . 4.700 4.508 4.257 4.708 0.008 16 0 "[ . 1 . 2]" 1
193 1 17 ILE MG 1 21 VAL H . . 4.080 3.358 3.135 3.658 . 0 0 "[ . 1 . 2]" 1
194 1 17 ILE MG 1 21 VAL QG . . 3.350 1.959 1.872 2.107 . 0 0 "[ . 1 . 2]" 1
195 1 17 ILE MG 1 69 TYR QD . . 4.580 3.923 3.495 4.325 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE MG 1 69 TYR QE . . 4.300 3.816 3.377 4.155 . 0 0 "[ . 1 . 2]" 1
197 1 17 ILE MG 1 70 HIS H . . 5.410 4.768 4.408 5.155 . 0 0 "[ . 1 . 2]" 1
198 1 17 ILE MG 1 70 HIS HA . . 4.410 4.029 3.502 4.279 . 0 0 "[ . 1 . 2]" 1
199 1 17 ILE MG 1 70 HIS HB2 . . 3.910 2.484 2.154 2.835 . 0 0 "[ . 1 . 2]" 1
200 1 17 ILE MG 1 70 HIS HB3 . . 4.380 3.665 3.359 4.007 . 0 0 "[ . 1 . 2]" 1
201 1 17 ILE MG 1 70 HIS HE1 . . 4.470 4.400 4.085 4.537 0.067 5 0 "[ . 1 . 2]" 1
202 1 17 ILE MG 1 81 VAL MG2 . . 4.140 3.444 2.888 3.834 . 0 0 "[ . 1 . 2]" 1
203 1 18 GLN H 1 18 GLN QB . . 3.090 2.296 2.183 2.534 . 0 0 "[ . 1 . 2]" 1
204 1 18 GLN H 1 18 GLN HG2 . . 4.180 2.903 2.355 3.914 . 0 0 "[ . 1 . 2]" 1
205 1 18 GLN H 1 18 GLN QG . . 3.420 2.557 2.319 2.840 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLN H 1 18 GLN HG3 . . 4.180 3.523 2.408 4.088 . 0 0 "[ . 1 . 2]" 1
207 1 18 GLN H 1 21 VAL QG . . 5.460 4.711 4.527 4.912 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLN HA 1 18 GLN HG2 . . 3.730 3.212 2.408 3.783 0.053 2 0 "[ . 1 . 2]" 1
209 1 18 GLN HA 1 18 GLN HG3 . . 3.730 3.490 2.705 3.777 0.047 19 0 "[ . 1 . 2]" 1
210 1 18 GLN HA 1 21 VAL H . . 4.310 4.058 3.779 4.347 0.037 13 0 "[ . 1 . 2]" 1
211 1 18 GLN HA 1 21 VAL HB . . 3.890 3.396 2.889 3.943 0.053 13 0 "[ . 1 . 2]" 1
212 1 18 GLN HA 1 21 VAL QG . . 3.830 3.668 3.340 3.930 0.100 13 0 "[ . 1 . 2]" 1
213 1 18 GLN HA 1 22 HIS H . . 4.750 4.261 3.802 4.782 0.032 13 0 "[ . 1 . 2]" 1
214 1 18 GLN HA 1 22 HIS QB . . 5.150 4.710 4.224 5.140 . 0 0 "[ . 1 . 2]" 1
215 1 18 GLN QB 1 18 GLN QG . . 2.370 2.080 1.979 2.123 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLN QB 1 19 SER H . . 3.510 3.092 2.589 3.580 0.070 2 0 "[ . 1 . 2]" 1
217 1 18 GLN HB2 1 19 SER H . . 4.150 3.389 2.682 4.177 0.027 16 0 "[ . 1 . 2]" 1
218 1 18 GLN HB3 1 19 SER H . . 4.150 3.712 3.350 4.044 . 0 0 "[ . 1 . 2]" 1
219 1 18 GLN QG 1 19 SER H . . 4.570 3.396 2.073 4.441 . 0 0 "[ . 1 . 2]" 1
220 1 18 GLN HG2 1 19 SER H . . 5.290 3.746 2.115 5.268 . 0 0 "[ . 1 . 2]" 1
221 1 18 GLN HG3 1 19 SER H . . 5.290 4.046 2.547 5.306 0.016 20 0 "[ . 1 . 2]" 1
222 1 19 SER H 1 19 SER QB . . 2.930 2.504 2.174 2.876 . 0 0 "[ . 1 . 2]" 1
223 1 19 SER H 1 20 LEU HB3 . . 4.630 4.429 4.121 4.685 0.055 3 0 "[ . 1 . 2]" 1
224 1 19 SER H 1 21 VAL H . . 5.020 4.286 4.104 4.396 . 0 0 "[ . 1 . 2]" 1
225 1 19 SER H 1 21 VAL QG . . 5.190 5.111 4.995 5.255 0.065 10 0 "[ . 1 . 2]" 1
226 1 19 SER HA 1 22 HIS H . . 4.090 3.857 3.520 4.072 . 0 0 "[ . 1 . 2]" 1
227 1 19 SER HA 1 22 HIS QB . . 3.650 2.826 2.567 3.148 . 0 0 "[ . 1 . 2]" 1
228 1 19 SER HA 1 22 HIS HD2 . . 4.650 4.468 4.198 4.702 0.052 13 0 "[ . 1 . 2]" 1
229 1 19 SER HA 1 23 ALA H . . 4.430 4.030 3.878 4.177 . 0 0 "[ . 1 . 2]" 1
230 1 19 SER QB 1 20 LEU H . . 3.940 2.809 2.351 3.512 . 0 0 "[ . 1 . 2]" 1
231 1 19 SER QB 1 20 LEU HB2 . . 5.300 4.355 3.761 5.304 0.004 14 0 "[ . 1 . 2]" 1
232 1 19 SER QB 1 39 MET HB2 . . 5.150 4.313 3.958 5.212 0.062 13 0 "[ . 1 . 2]" 1
233 1 19 SER QB 1 39 MET HG2 . . 4.930 2.965 2.491 3.991 . 0 0 "[ . 1 . 2]" 1
234 1 19 SER QB 1 39 MET HG3 . . 4.680 2.311 1.988 3.090 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU H 1 20 LEU HB2 . . 3.150 2.528 2.296 2.853 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU H 1 20 LEU HB3 . . 3.180 2.365 2.128 2.550 . 0 0 "[ . 1 . 2]" 1
237 1 20 LEU H 1 20 LEU MD1 . . 4.620 4.199 3.955 4.420 . 0 0 "[ . 1 . 2]" 1
238 1 20 LEU H 1 20 LEU QD . . 3.960 3.726 3.596 3.777 . 0 0 "[ . 1 . 2]" 1
239 1 20 LEU H 1 20 LEU MD2 . . 4.620 4.172 4.082 4.270 . 0 0 "[ . 1 . 2]" 1
240 1 20 LEU H 1 20 LEU HG . . 4.580 4.387 4.186 4.480 . 0 0 "[ . 1 . 2]" 1
241 1 20 LEU H 1 21 VAL H . . 3.310 2.846 2.674 2.950 . 0 0 "[ . 1 . 2]" 1
242 1 20 LEU H 1 21 VAL HA . . 5.500 5.444 5.278 5.539 0.039 1 0 "[ . 1 . 2]" 1
243 1 20 LEU H 1 21 VAL QG . . 4.980 4.316 4.179 4.461 . 0 0 "[ . 1 . 2]" 1
244 1 20 LEU H 1 22 HIS QB . . 5.500 4.933 4.641 5.159 . 0 0 "[ . 1 . 2]" 1
245 1 20 LEU H 1 39 MET HG3 . . 4.790 4.318 3.905 4.769 . 0 0 "[ . 1 . 2]" 1
246 1 20 LEU HA 1 20 LEU MD1 . . 4.070 2.704 2.160 3.743 . 0 0 "[ . 1 . 2]" 1
247 1 20 LEU HA 1 20 LEU QD . . 3.110 2.559 2.149 3.170 0.060 16 0 "[ . 1 . 2]" 1
248 1 20 LEU HA 1 20 LEU MD2 . . 4.070 3.806 3.411 4.030 . 0 0 "[ . 1 . 2]" 1
249 1 20 LEU HA 1 21 VAL HA . . 4.910 4.860 4.814 4.932 0.022 17 0 "[ . 1 . 2]" 1
250 1 20 LEU HA 1 23 ALA H . . 4.970 3.658 3.479 4.005 . 0 0 "[ . 1 . 2]" 1
251 1 20 LEU HA 1 23 ALA MB . . 3.270 2.807 2.472 3.156 . 0 0 "[ . 1 . 2]" 1
252 1 20 LEU HA 1 39 MET HG2 . . 5.180 5.094 4.795 5.237 0.057 9 0 "[ . 1 . 2]" 1
253 1 20 LEU HA 1 39 MET HG3 . . 4.080 3.651 3.284 4.120 0.040 10 0 "[ . 1 . 2]" 1
254 1 20 LEU HB2 1 21 VAL H . . 4.450 3.830 3.673 4.009 . 0 0 "[ . 1 . 2]" 1
255 1 20 LEU HB2 1 110 TRP HZ3 . . 5.060 4.585 3.849 5.109 0.049 11 0 "[ . 1 . 2]" 1
256 1 20 LEU HB3 1 20 LEU MD1 . . 3.350 3.052 2.401 3.269 . 0 0 "[ . 1 . 2]" 1
257 1 20 LEU HB3 1 20 LEU MD2 . . 3.350 2.284 2.225 2.378 . 0 0 "[ . 1 . 2]" 1
258 1 20 LEU HB3 1 21 VAL H . . 3.840 2.421 2.248 2.698 . 0 0 "[ . 1 . 2]" 1
259 1 20 LEU QD 1 21 VAL H . . 4.530 3.394 2.683 3.795 . 0 0 "[ . 1 . 2]" 1
260 1 20 LEU QD 1 67 ALA H . . 4.850 4.564 4.193 4.925 0.075 2 0 "[ . 1 . 2]" 1
261 1 20 LEU QD 1 67 ALA HA . . 4.290 4.257 3.835 4.377 0.087 8 0 "[ . 1 . 2]" 1
262 1 20 LEU QD 1 81 VAL HA . . 4.550 4.122 3.419 4.625 0.075 11 0 "[ . 1 . 2]" 1
263 1 20 LEU QD 1 81 VAL MG1 . . 3.030 2.338 1.942 2.854 . 0 0 "[ . 1 . 2]" 1
264 1 20 LEU QD 1 110 TRP HH2 . . 4.080 3.222 2.361 4.071 . 0 0 "[ . 1 . 2]" 1
265 1 20 LEU HG 1 21 VAL H . . 4.220 3.604 2.836 4.283 0.063 20 0 "[ . 1 . 2]" 1
266 1 20 LEU HG 1 21 VAL HA . . 4.920 3.825 3.175 4.900 . 0 0 "[ . 1 . 2]" 1
267 1 20 LEU HG 1 81 VAL MG2 . . 4.170 3.162 2.223 4.235 0.065 13 0 "[ . 1 . 2]" 1
268 1 21 VAL H 1 21 VAL HB . . 2.950 2.421 2.270 2.521 . 0 0 "[ . 1 . 2]" 1
269 1 21 VAL H 1 21 VAL QG . . 2.940 2.174 2.039 2.329 . 0 0 "[ . 1 . 2]" 1
270 1 21 VAL H 1 22 HIS H . . 3.320 2.851 2.693 2.974 . 0 0 "[ . 1 . 2]" 1
271 1 21 VAL H 1 81 VAL MG2 . . 4.590 3.835 3.674 4.031 . 0 0 "[ . 1 . 2]" 1
272 1 21 VAL HA 1 21 VAL QG . . 3.000 2.174 2.140 2.219 . 0 0 "[ . 1 . 2]" 1
273 1 21 VAL HA 1 24 ALA H . . 3.790 3.537 3.327 3.696 . 0 0 "[ . 1 . 2]" 1
274 1 21 VAL HA 1 24 ALA MB . . 3.690 2.756 2.465 3.145 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HA 1 25 GLN H . . 4.550 4.378 4.035 4.601 0.051 3 0 "[ . 1 . 2]" 1
276 1 21 VAL HA 1 70 HIS HE1 . . 5.440 5.155 4.698 5.493 0.053 17 0 "[ . 1 . 2]" 1
277 1 21 VAL HA 1 81 VAL MG1 . . 4.870 4.359 3.839 4.719 . 0 0 "[ . 1 . 2]" 1
278 1 21 VAL HA 1 81 VAL MG2 . . 3.460 2.286 1.962 2.706 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL HB 1 22 HIS H . . 3.270 2.475 2.333 2.713 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL HB 1 22 HIS QB . . 5.060 4.070 3.864 4.321 . 0 0 "[ . 1 . 2]" 1
281 1 21 VAL QG 1 22 HIS H . . 3.430 3.032 2.866 3.197 . 0 0 "[ . 1 . 2]" 1
282 1 21 VAL QG 1 22 HIS HA . . 4.080 3.302 3.112 3.477 . 0 0 "[ . 1 . 2]" 1
283 1 21 VAL QG 1 23 ALA H . . 4.760 4.773 4.653 4.852 0.092 8 0 "[ . 1 . 2]" 1
284 1 21 VAL QG 1 24 ALA H . . 4.370 4.371 4.286 4.453 0.083 17 0 "[ . 1 . 2]" 1
285 1 21 VAL QG 1 24 ALA MB . . 3.920 3.524 3.291 3.754 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL QG 1 25 GLN H . . 4.490 4.204 3.931 4.529 0.039 3 0 "[ . 1 . 2]" 1
287 1 21 VAL QG 1 25 GLN HG2 . . 4.230 3.330 2.626 3.655 . 0 0 "[ . 1 . 2]" 1
288 1 21 VAL QG 1 25 GLN HG3 . . 4.500 4.526 3.953 4.600 0.100 3 0 "[ . 1 . 2]" 1
289 1 21 VAL QG 1 70 HIS HE1 . . 2.950 2.601 2.226 2.937 . 0 0 "[ . 1 . 2]" 1
290 1 21 VAL QG 1 81 VAL H . . 4.690 3.778 3.523 4.390 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL QG 1 81 VAL HA . . 4.300 4.292 4.061 4.386 0.086 10 0 "[ . 1 . 2]" 1
292 1 21 VAL QG 1 81 VAL MG2 . . 3.090 1.986 1.894 2.189 . 0 0 "[ . 1 . 2]" 1
293 1 22 HIS H 1 22 HIS QB . . 2.810 2.219 2.166 2.255 . 0 0 "[ . 1 . 2]" 1
294 1 22 HIS H 1 22 HIS HD2 . . 5.100 4.898 4.734 5.083 . 0 0 "[ . 1 . 2]" 1
295 1 22 HIS H 1 23 ALA H . . 3.550 2.942 2.830 3.031 . 0 0 "[ . 1 . 2]" 1
296 1 22 HIS H 1 23 ALA MB . . 4.660 4.543 4.435 4.650 . 0 0 "[ . 1 . 2]" 1
297 1 22 HIS H 1 24 ALA H . . 4.120 4.158 4.112 4.186 0.066 11 0 "[ . 1 . 2]" 1
298 1 22 HIS H 1 24 ALA MB . . 5.130 4.912 4.777 5.158 0.028 15 0 "[ . 1 . 2]" 1
299 1 22 HIS HA 1 25 GLN H . . 4.030 3.661 3.485 3.793 . 0 0 "[ . 1 . 2]" 1
300 1 22 HIS HA 1 25 GLN QB . . 4.570 4.480 4.073 4.636 0.066 3 0 "[ . 1 . 2]" 1
301 1 22 HIS HA 1 25 GLN HG2 . . 4.260 2.416 2.049 2.979 . 0 0 "[ . 1 . 2]" 1
302 1 22 HIS HA 1 25 GLN HG3 . . 4.430 3.189 2.600 3.540 . 0 0 "[ . 1 . 2]" 1
303 1 22 HIS QB 1 22 HIS HD2 . . 2.930 2.605 2.545 2.668 . 0 0 "[ . 1 . 2]" 1
304 1 22 HIS QB 1 22 HIS HE1 . . 4.550 4.547 4.515 4.569 0.019 14 0 "[ . 1 . 2]" 1
305 1 22 HIS QB 1 23 ALA H . . 3.230 2.510 2.311 2.631 . 0 0 "[ . 1 . 2]" 1
306 1 22 HIS QB 1 23 ALA MB . . 4.340 3.846 3.663 3.939 . 0 0 "[ . 1 . 2]" 1
307 1 22 HIS HD2 1 23 ALA H . . 3.480 3.336 3.055 3.526 0.046 19 0 "[ . 1 . 2]" 1
308 1 22 HIS HD2 1 23 ALA HA . . 3.460 3.250 2.873 3.486 0.026 6 0 "[ . 1 . 2]" 1
309 1 22 HIS HD2 1 23 ALA MB . . 3.610 3.444 3.146 3.679 0.069 11 0 "[ . 1 . 2]" 1
310 1 22 HIS HD2 1 26 CYS HB2 . . 3.910 3.718 3.494 3.944 0.034 16 0 "[ . 1 . 2]" 1
311 1 22 HIS HD2 1 33 LEU HB3 . . 4.020 3.879 3.348 4.068 0.048 4 0 "[ . 1 . 2]" 1
312 1 22 HIS HD2 1 33 LEU MD1 . . 4.380 4.390 4.079 4.452 0.072 15 0 "[ . 1 . 2]" 1
313 1 22 HIS HD2 1 33 LEU QD . . 3.620 3.098 2.835 3.721 0.101 16 0 "[ . 1 . 2]" 1
314 1 22 HIS HD2 1 33 LEU MD2 . . 4.380 3.176 2.870 4.046 . 0 0 "[ . 1 . 2]" 1
315 1 22 HIS HD2 1 36 CYS H . . 3.900 3.897 3.453 3.972 0.072 19 0 "[ . 1 . 2]" 1
316 1 22 HIS HD2 1 36 CYS HA . . 4.230 2.904 2.438 3.205 . 0 0 "[ . 1 . 2]" 1
317 1 22 HIS HD2 1 36 CYS HB2 . . 2.850 2.206 2.147 2.290 . 0 0 "[ . 1 . 2]" 1
318 1 22 HIS HD2 1 36 CYS HB3 . . 3.710 3.752 3.654 3.774 0.064 3 0 "[ . 1 . 2]" 1
319 1 22 HIS HE1 1 25 GLN HG3 . . 5.500 5.181 4.731 5.556 0.056 19 0 "[ . 1 . 2]" 1
320 1 22 HIS HE1 1 26 CYS HA . . 4.420 4.441 4.322 4.486 0.066 7 0 "[ . 1 . 2]" 1
321 1 22 HIS HE1 1 26 CYS HB2 . . 3.970 3.916 3.268 4.031 0.061 20 0 "[ . 1 . 2]" 1
322 1 22 HIS HE1 1 31 CYS HA . . 4.510 4.104 3.807 4.428 . 0 0 "[ . 1 . 2]" 1
323 1 22 HIS HE1 1 31 CYS HB2 . . 4.190 4.178 3.840 4.260 0.070 14 0 "[ . 1 . 2]" 1
324 1 22 HIS HE1 1 33 LEU H . . 5.320 5.373 5.287 5.389 0.069 8 0 "[ . 1 . 2]" 1
325 1 22 HIS HE1 1 33 LEU HB2 . . 3.950 3.923 3.792 4.011 0.061 5 0 "[ . 1 . 2]" 1
326 1 22 HIS HE1 1 33 LEU HB3 . . 5.380 5.381 5.256 5.438 0.058 9 0 "[ . 1 . 2]" 1
327 1 22 HIS HE1 1 33 LEU QD . . 2.790 2.531 2.340 2.863 0.073 17 0 "[ . 1 . 2]" 1
328 1 23 ALA H 1 23 ALA MB . . 3.120 2.189 2.131 2.221 . 0 0 "[ . 1 . 2]" 1
329 1 23 ALA H 1 24 ALA H . . 3.320 2.774 2.711 2.891 . 0 0 "[ . 1 . 2]" 1
330 1 23 ALA H 1 24 ALA MB . . 4.690 4.461 4.359 4.634 . 0 0 "[ . 1 . 2]" 1
331 1 23 ALA H 1 25 GLN H . . 4.680 4.455 4.273 4.671 . 0 0 "[ . 1 . 2]" 1
332 1 23 ALA HA 1 26 CYS H . . 3.950 3.455 3.232 3.846 . 0 0 "[ . 1 . 2]" 1
333 1 23 ALA HA 1 26 CYS HB2 . . 3.840 2.866 2.501 3.496 . 0 0 "[ . 1 . 2]" 1
334 1 23 ALA HA 1 26 CYS HB3 . . 3.980 2.553 2.315 3.051 . 0 0 "[ . 1 . 2]" 1
335 1 23 ALA HA 1 40 LYS QE . . 4.140 2.611 2.223 3.363 . 0 0 "[ . 1 . 2]" 1
336 1 23 ALA MB 1 24 ALA H . . 3.280 2.865 2.747 2.973 . 0 0 "[ . 1 . 2]" 1
337 1 23 ALA MB 1 24 ALA HA . . 4.390 3.952 3.886 4.025 . 0 0 "[ . 1 . 2]" 1
338 1 23 ALA MB 1 25 GLN H . . 4.780 4.716 4.461 4.860 0.080 15 0 "[ . 1 . 2]" 1
339 1 23 ALA MB 1 26 CYS H . . 5.040 4.595 4.380 4.884 . 0 0 "[ . 1 . 2]" 1
340 1 23 ALA MB 1 36 CYS HA . . 3.680 2.550 2.277 2.911 . 0 0 "[ . 1 . 2]" 1
341 1 23 ALA MB 1 39 MET HB2 . . 3.420 2.165 1.996 2.476 . 0 0 "[ . 1 . 2]" 1
342 1 23 ALA MB 1 39 MET HB3 . . 3.210 2.229 2.018 2.511 . 0 0 "[ . 1 . 2]" 1
343 1 23 ALA MB 1 39 MET HG2 . . 3.860 3.883 3.708 3.942 0.082 19 0 "[ . 1 . 2]" 1
344 1 23 ALA MB 1 39 MET HG3 . . 3.720 2.857 2.500 3.178 . 0 0 "[ . 1 . 2]" 1
345 1 23 ALA MB 1 40 LYS H . . 3.720 3.477 2.760 3.763 0.043 12 0 "[ . 1 . 2]" 1
346 1 23 ALA MB 1 40 LYS HA . . 3.800 3.366 2.791 3.670 . 0 0 "[ . 1 . 2]" 1
347 1 23 ALA MB 1 40 LYS QE . . 4.510 3.121 2.712 3.790 . 0 0 "[ . 1 . 2]" 1
348 1 24 ALA H 1 24 ALA MB . . 2.800 2.263 2.208 2.342 . 0 0 "[ . 1 . 2]" 1
349 1 24 ALA H 1 25 GLN H . . 3.280 2.550 2.307 2.682 . 0 0 "[ . 1 . 2]" 1
350 1 24 ALA H 1 25 GLN HA . . 5.420 5.230 5.004 5.367 . 0 0 "[ . 1 . 2]" 1
351 1 24 ALA H 1 25 GLN HG2 . . 4.650 4.075 3.671 4.478 . 0 0 "[ . 1 . 2]" 1
352 1 24 ALA H 1 26 CYS H . . 4.450 3.855 3.626 4.291 . 0 0 "[ . 1 . 2]" 1
353 1 24 ALA H 1 26 CYS HB3 . . 4.870 4.906 4.800 4.932 0.062 8 0 "[ . 1 . 2]" 1
354 1 24 ALA H 1 81 VAL HA . . 5.500 5.386 5.014 5.556 0.056 20 0 "[ . 1 . 2]" 1
355 1 24 ALA H 1 81 VAL MG2 . . 5.090 4.580 4.057 5.133 0.043 17 0 "[ . 1 . 2]" 1
356 1 24 ALA HA 1 43 VAL HB . . 5.500 5.407 5.009 5.565 0.065 1 0 "[ . 1 . 2]" 1
357 1 24 ALA HA 1 43 VAL MG1 . . 3.580 3.341 2.700 3.643 0.063 16 0 "[ . 1 . 2]" 1
358 1 24 ALA MB 1 25 GLN H . . 3.450 2.603 2.233 2.933 . 0 0 "[ . 1 . 2]" 1
359 1 24 ALA MB 1 25 GLN HG2 . . 4.230 3.982 3.642 4.167 . 0 0 "[ . 1 . 2]" 1
360 1 24 ALA MB 1 25 GLN HG3 . . 5.290 5.219 4.520 5.358 0.068 8 0 "[ . 1 . 2]" 1
361 1 24 ALA MB 1 26 CYS H . . 4.670 4.391 4.214 4.614 . 0 0 "[ . 1 . 2]" 1
362 1 24 ALA MB 1 43 VAL MG1 . . 4.310 3.919 3.207 4.300 . 0 0 "[ . 1 . 2]" 1
363 1 24 ALA MB 1 81 VAL H . . 4.530 4.239 3.580 4.594 0.064 15 0 "[ . 1 . 2]" 1
364 1 24 ALA MB 1 81 VAL HA . . 3.500 2.471 2.032 2.918 . 0 0 "[ . 1 . 2]" 1
365 1 24 ALA MB 1 81 VAL MG2 . . 3.450 2.788 2.242 3.445 . 0 0 "[ . 1 . 2]" 1
366 1 25 GLN H 1 25 GLN HB2 . . 4.170 3.694 3.614 3.804 . 0 0 "[ . 1 . 2]" 1
367 1 25 GLN H 1 25 GLN QB . . 3.310 2.696 2.457 2.941 . 0 0 "[ . 1 . 2]" 1
368 1 25 GLN H 1 25 GLN HB3 . . 4.170 2.773 2.499 3.061 . 0 0 "[ . 1 . 2]" 1
369 1 25 GLN H 1 25 GLN HG2 . . 3.410 2.215 2.021 2.513 . 0 0 "[ . 1 . 2]" 1
370 1 25 GLN H 1 25 GLN HG3 . . 3.810 3.251 2.587 3.517 . 0 0 "[ . 1 . 2]" 1
371 1 25 GLN HA 1 25 GLN HG2 . . 4.080 3.823 3.700 3.981 . 0 0 "[ . 1 . 2]" 1
372 1 25 GLN HA 1 25 GLN HG3 . . 3.910 3.785 3.712 3.908 . 0 0 "[ . 1 . 2]" 1
373 1 25 GLN HG3 1 26 CYS H . . 4.490 3.525 2.751 4.540 0.050 9 0 "[ . 1 . 2]" 1
374 1 26 CYS H 1 26 CYS HB2 . . 3.190 2.620 2.445 3.007 . 0 0 "[ . 1 . 2]" 1
375 1 26 CYS H 1 26 CYS HB3 . . 3.010 2.305 2.216 2.436 . 0 0 "[ . 1 . 2]" 1
376 1 26 CYS H 1 27 ARG H . . 4.500 4.137 3.884 4.356 . 0 0 "[ . 1 . 2]" 1
377 1 26 CYS H 1 40 LYS HE2 . . 4.740 4.544 3.997 4.801 0.061 8 0 "[ . 1 . 2]" 1
378 1 26 CYS H 1 40 LYS QE . . 4.150 3.833 3.532 4.195 0.045 14 0 "[ . 1 . 2]" 1
379 1 26 CYS H 1 40 LYS HE3 . . 4.740 4.182 3.635 4.808 0.068 9 0 "[ . 1 . 2]" 1
380 1 26 CYS HA 1 27 ARG H . . 3.080 2.228 2.173 2.314 . 0 0 "[ . 1 . 2]" 1
381 1 26 CYS HA 1 27 ARG QG . . 4.920 4.252 3.906 4.584 . 0 0 "[ . 1 . 2]" 1
382 1 26 CYS HB2 1 27 ARG H . . 5.150 4.478 4.391 4.567 . 0 0 "[ . 1 . 2]" 1
383 1 26 CYS HB2 1 40 LYS QE . . 4.060 3.277 3.041 4.024 . 0 0 "[ . 1 . 2]" 1
384 1 26 CYS HB3 1 40 LYS HE2 . . 4.420 2.906 1.964 3.687 . 0 0 "[ . 1 . 2]" 1
385 1 26 CYS HB3 1 40 LYS HE3 . . 4.420 2.149 1.895 3.018 . 0 0 "[ . 1 . 2]" 1
386 1 27 ARG H 1 27 ARG QD . . 5.350 4.688 4.200 5.282 . 0 0 "[ . 1 . 2]" 1
387 1 27 ARG H 1 27 ARG QG . . 3.620 3.038 2.323 3.557 . 0 0 "[ . 1 . 2]" 1
388 1 27 ARG H 1 28 ASN H . . 3.650 3.314 3.115 3.458 . 0 0 "[ . 1 . 2]" 1
389 1 27 ARG H 1 28 ASN HB2 . . 5.080 3.593 3.163 3.874 . 0 0 "[ . 1 . 2]" 1
390 1 27 ARG H 1 28 ASN HB3 . . 5.080 4.070 3.777 4.531 . 0 0 "[ . 1 . 2]" 1
391 1 27 ARG HA 1 27 ARG QD . . 4.400 4.026 2.106 4.472 0.072 1 0 "[ . 1 . 2]" 1
392 1 27 ARG HA 1 27 ARG QG . . 3.650 2.862 2.269 3.445 . 0 0 "[ . 1 . 2]" 1
393 1 27 ARG HA 1 28 ASN H . . 3.400 2.359 2.249 2.422 . 0 0 "[ . 1 . 2]" 1
394 1 27 ARG QB 1 28 ASN H . . 4.350 3.897 3.832 3.956 . 0 0 "[ . 1 . 2]" 1
395 1 27 ARG QG 1 28 ASN H . . 4.890 4.567 4.364 4.957 0.067 5 0 "[ . 1 . 2]" 1
396 1 28 ASN H 1 28 ASN HB2 . . 3.500 3.444 3.151 3.554 0.054 20 0 "[ . 1 . 2]" 1
397 1 28 ASN H 1 28 ASN HB3 . . 3.500 3.166 2.925 3.355 . 0 0 "[ . 1 . 2]" 1
398 1 28 ASN H 1 29 ALA H . . 4.610 4.229 4.124 4.341 . 0 0 "[ . 1 . 2]" 1
399 1 28 ASN H 1 31 CYS H . . 4.800 4.317 3.988 4.824 0.024 5 0 "[ . 1 . 2]" 1
400 1 28 ASN HA 1 29 ALA H . . 3.210 2.371 2.237 2.657 . 0 0 "[ . 1 . 2]" 1
401 1 28 ASN HA 1 29 ALA HA . . 4.580 4.422 4.325 4.513 . 0 0 "[ . 1 . 2]" 1
402 1 28 ASN HA 1 29 ALA MB . . 4.280 4.092 3.966 4.168 . 0 0 "[ . 1 . 2]" 1
403 1 28 ASN QB 1 29 ALA H . . 4.270 3.448 2.724 3.705 . 0 0 "[ . 1 . 2]" 1
404 1 28 ASN HB2 1 29 ALA H . . 4.960 4.120 3.825 4.377 . 0 0 "[ . 1 . 2]" 1
405 1 28 ASN HB3 1 29 ALA H . . 4.960 3.716 2.788 4.077 . 0 0 "[ . 1 . 2]" 1
406 1 29 ALA H 1 29 ALA MB . . 3.420 2.228 2.159 2.377 . 0 0 "[ . 1 . 2]" 1
407 1 29 ALA H 1 30 ASN H . . 3.420 2.608 1.985 2.912 . 0 0 "[ . 1 . 2]" 1
408 1 29 ALA H 1 31 CYS H . . 4.610 4.116 3.332 4.413 . 0 0 "[ . 1 . 2]" 1
409 1 29 ALA HA 1 30 ASN H . . 3.560 3.557 3.495 3.608 0.048 5 0 "[ . 1 . 2]" 1
410 1 29 ALA HA 1 31 CYS H . . 4.600 3.978 3.793 4.505 . 0 0 "[ . 1 . 2]" 1
411 1 29 ALA MB 1 30 ASN H . . 3.330 2.709 2.502 3.038 . 0 0 "[ . 1 . 2]" 1
412 1 29 ALA MB 1 30 ASN HA . . 3.890 3.919 3.832 3.965 0.075 3 0 "[ . 1 . 2]" 1
413 1 29 ALA MB 1 30 ASN QB . . 4.860 4.063 3.676 4.595 . 0 0 "[ . 1 . 2]" 1
414 1 29 ALA MB 1 31 CYS H . . 4.670 4.438 4.265 4.645 . 0 0 "[ . 1 . 2]" 1
415 1 30 ASN H 1 30 ASN HB2 . . 3.710 2.536 2.228 2.882 . 0 0 "[ . 1 . 2]" 1
416 1 30 ASN H 1 30 ASN QB . . 2.970 2.323 2.118 2.789 . 0 0 "[ . 1 . 2]" 1
417 1 30 ASN H 1 30 ASN HB3 . . 3.710 2.933 2.295 3.711 0.001 4 0 "[ . 1 . 2]" 1
418 1 30 ASN H 1 31 CYS H . . 2.950 2.668 2.406 2.868 . 0 0 "[ . 1 . 2]" 1
419 1 30 ASN QB 1 31 CYS H . . 4.110 3.113 2.544 3.505 . 0 0 "[ . 1 . 2]" 1
420 1 31 CYS H 1 31 CYS HB2 . . 3.480 2.536 2.384 2.693 . 0 0 "[ . 1 . 2]" 1
421 1 31 CYS H 1 31 CYS HB3 . . 2.610 2.519 2.264 2.661 0.051 8 0 "[ . 1 . 2]" 1
422 1 31 CYS H 1 32 SER H . . 4.420 4.416 4.322 4.476 0.056 8 0 "[ . 1 . 2]" 1
423 1 31 CYS HA 1 32 SER H . . 2.960 2.147 2.032 2.233 . 0 0 "[ . 1 . 2]" 1
424 1 31 CYS HA 1 33 LEU H . . 5.240 5.177 4.867 5.295 0.055 18 0 "[ . 1 . 2]" 1
425 1 31 CYS HB3 1 32 SER H . . 4.590 4.326 4.145 4.456 . 0 0 "[ . 1 . 2]" 1
426 1 32 SER H 1 32 SER QB . . 3.660 2.838 2.600 3.286 . 0 0 "[ . 1 . 2]" 1
427 1 32 SER H 1 33 LEU H . . 3.760 3.740 3.549 3.813 0.053 12 0 "[ . 1 . 2]" 1
428 1 32 SER H 1 33 LEU HB2 . . 4.670 4.623 4.398 4.725 0.055 13 0 "[ . 1 . 2]" 1
429 1 33 LEU H 1 33 LEU HB2 . . 2.770 2.545 2.407 2.639 . 0 0 "[ . 1 . 2]" 1
430 1 33 LEU H 1 33 LEU HB3 . . 3.590 3.526 3.422 3.594 0.004 6 0 "[ . 1 . 2]" 1
431 1 33 LEU H 1 33 LEU QD . . 3.790 3.299 3.090 3.516 . 0 0 "[ . 1 . 2]" 1
432 1 33 LEU H 1 34 PRO QD . . 4.610 4.373 4.296 4.447 . 0 0 "[ . 1 . 2]" 1
433 1 33 LEU H 1 36 CYS H . . 4.780 4.514 4.187 4.833 0.053 19 0 "[ . 1 . 2]" 1
434 1 33 LEU H 1 36 CYS HB2 . . 4.370 3.678 3.275 4.017 . 0 0 "[ . 1 . 2]" 1
435 1 33 LEU H 1 36 CYS HB3 . . 4.260 2.928 2.522 3.327 . 0 0 "[ . 1 . 2]" 1
436 1 33 LEU HA 1 34 PRO QD . . 3.270 2.106 2.055 2.174 . 0 0 "[ . 1 . 2]" 1
437 1 33 LEU HA 1 36 CYS H . . 4.850 4.562 4.340 4.786 . 0 0 "[ . 1 . 2]" 1
438 1 33 LEU HB2 1 34 PRO QD . . 4.370 4.047 3.790 4.328 . 0 0 "[ . 1 . 2]" 1
439 1 33 LEU HB2 1 36 CYS H . . 3.720 3.415 3.166 3.607 . 0 0 "[ . 1 . 2]" 1
440 1 33 LEU HB2 1 36 CYS HA . . 4.640 4.653 4.509 4.700 0.060 1 0 "[ . 1 . 2]" 1
441 1 33 LEU HB2 1 36 CYS HB2 . . 4.130 2.142 2.078 2.226 . 0 0 "[ . 1 . 2]" 1
442 1 33 LEU HB2 1 36 CYS HB3 . . 4.060 2.850 2.538 3.185 . 0 0 "[ . 1 . 2]" 1
443 1 33 LEU HB2 1 37 GLN H . . 4.850 4.768 4.499 4.907 0.057 8 0 "[ . 1 . 2]" 1
444 1 33 LEU HB3 1 34 PRO QD . . 4.180 2.919 2.529 3.367 . 0 0 "[ . 1 . 2]" 1
445 1 33 LEU HB3 1 36 CYS H . . 3.890 2.325 2.058 2.503 . 0 0 "[ . 1 . 2]" 1
446 1 33 LEU HB3 1 36 CYS HA . . 4.690 4.389 4.097 4.612 . 0 0 "[ . 1 . 2]" 1
447 1 33 LEU HB3 1 36 CYS HB2 . . 4.400 2.394 2.163 2.554 . 0 0 "[ . 1 . 2]" 1
448 1 33 LEU HB3 1 36 CYS HB3 . . 4.560 3.233 2.929 3.536 . 0 0 "[ . 1 . 2]" 1
449 1 33 LEU HB3 1 37 GLN H . . 4.860 4.491 4.263 4.848 . 0 0 "[ . 1 . 2]" 1
450 1 33 LEU QD 1 34 PRO QD . . 4.150 3.100 2.223 3.593 . 0 0 "[ . 1 . 2]" 1
451 1 33 LEU QD 1 36 CYS H . . 4.690 3.591 3.312 3.934 . 0 0 "[ . 1 . 2]" 1
452 1 34 PRO HA 1 36 CYS H . . 4.780 4.381 4.021 4.572 . 0 0 "[ . 1 . 2]" 1
453 1 34 PRO HA 1 37 GLN H . . 5.190 4.018 3.397 4.703 . 0 0 "[ . 1 . 2]" 1
454 1 34 PRO QD 1 35 SER H . . 5.240 2.869 2.624 3.104 . 0 0 "[ . 1 . 2]" 1
455 1 34 PRO QG 1 36 CYS H . . 4.740 4.515 4.252 4.797 0.057 9 0 "[ . 1 . 2]" 1
456 1 35 SER H 1 36 CYS H . . 3.700 2.567 2.329 2.809 . 0 0 "[ . 1 . 2]" 1
457 1 35 SER HA 1 39 MET H . . 4.440 4.047 3.597 4.350 . 0 0 "[ . 1 . 2]" 1
458 1 35 SER HA 1 39 MET HG2 . . 5.250 4.266 3.939 4.944 . 0 0 "[ . 1 . 2]" 1
459 1 35 SER QB 1 36 CYS H . . 4.160 3.081 2.625 3.584 . 0 0 "[ . 1 . 2]" 1
460 1 35 SER QB 1 39 MET HG2 . . 4.260 3.443 3.031 3.881 . 0 0 "[ . 1 . 2]" 1
461 1 35 SER QB 1 39 MET HG3 . . 4.290 3.818 3.222 4.346 0.056 19 0 "[ . 1 . 2]" 1
462 1 35 SER HB2 1 39 MET HG2 . . 5.100 4.211 3.235 5.158 0.058 2 0 "[ . 1 . 2]" 1
463 1 35 SER HB3 1 39 MET HG2 . . 5.100 4.127 3.154 5.166 0.066 19 0 "[ . 1 . 2]" 1
464 1 36 CYS H 1 36 CYS HB2 . . 3.170 2.257 2.154 2.431 . 0 0 "[ . 1 . 2]" 1
465 1 36 CYS H 1 36 CYS HB3 . . 3.130 2.648 2.458 2.820 . 0 0 "[ . 1 . 2]" 1
466 1 36 CYS H 1 37 GLN H . . 3.310 2.945 2.627 3.103 . 0 0 "[ . 1 . 2]" 1
467 1 36 CYS H 1 37 GLN QG . . 4.800 4.375 3.803 4.814 0.014 20 0 "[ . 1 . 2]" 1
468 1 36 CYS H 1 39 MET HG3 . . 5.500 5.263 4.443 5.550 0.050 18 0 "[ . 1 . 2]" 1
469 1 36 CYS HA 1 39 MET H . . 4.600 3.575 3.389 3.746 . 0 0 "[ . 1 . 2]" 1
470 1 36 CYS HA 1 39 MET HB2 . . 4.430 2.557 2.230 2.908 . 0 0 "[ . 1 . 2]" 1
471 1 36 CYS HA 1 39 MET HG2 . . 5.500 4.036 3.517 4.588 . 0 0 "[ . 1 . 2]" 1
472 1 36 CYS HA 1 39 MET HG3 . . 4.960 3.612 2.980 3.955 . 0 0 "[ . 1 . 2]" 1
473 1 36 CYS HA 1 40 LYS H . . 4.300 4.169 3.895 4.343 0.043 1 0 "[ . 1 . 2]" 1
474 1 36 CYS HB2 1 37 GLN H . . 3.610 3.603 3.450 3.673 0.063 19 0 "[ . 1 . 2]" 1
475 1 36 CYS HB3 1 37 GLN H . . 3.280 2.261 2.073 2.463 . 0 0 "[ . 1 . 2]" 1
476 1 37 GLN H 1 37 GLN HB2 . . 3.770 2.954 2.357 3.677 . 0 0 "[ . 1 . 2]" 1
477 1 37 GLN H 1 37 GLN QB . . 2.920 2.492 2.325 2.660 . 0 0 "[ . 1 . 2]" 1
478 1 37 GLN H 1 37 GLN HB3 . . 3.770 3.200 2.389 3.660 . 0 0 "[ . 1 . 2]" 1
479 1 37 GLN H 1 37 GLN HG2 . . 3.680 2.710 1.939 3.695 0.015 2 0 "[ . 1 . 2]" 1
480 1 37 GLN H 1 37 GLN QG . . 3.210 2.171 1.926 2.403 . 0 0 "[ . 1 . 2]" 1
481 1 37 GLN H 1 37 GLN HG3 . . 3.680 2.904 2.100 3.714 0.034 8 0 "[ . 1 . 2]" 1
482 1 37 GLN H 1 38 LYS H . . 3.410 2.920 2.795 3.060 . 0 0 "[ . 1 . 2]" 1
483 1 37 GLN H 1 38 LYS QG . . 5.190 4.463 4.173 4.991 . 0 0 "[ . 1 . 2]" 1
484 1 37 GLN H 1 40 LYS H . . 5.230 4.807 4.610 4.998 . 0 0 "[ . 1 . 2]" 1
485 1 37 GLN HA 1 37 GLN HG2 . . 4.060 3.155 2.484 3.848 . 0 0 "[ . 1 . 2]" 1
486 1 37 GLN HA 1 37 GLN QG . . 3.530 2.906 2.362 3.394 . 0 0 "[ . 1 . 2]" 1
487 1 37 GLN HA 1 37 GLN HG3 . . 4.060 3.460 2.684 3.861 . 0 0 "[ . 1 . 2]" 1
488 1 37 GLN HA 1 40 LYS H . . 4.000 3.532 3.271 3.716 . 0 0 "[ . 1 . 2]" 1
489 1 37 GLN HA 1 40 LYS HB2 . . 3.180 2.742 2.308 3.168 . 0 0 "[ . 1 . 2]" 1
490 1 37 GLN HA 1 40 LYS HD2 . . 4.060 4.031 3.226 4.122 0.062 9 0 "[ . 1 . 2]" 1
491 1 37 GLN HA 1 40 LYS HD3 . . 4.060 2.717 2.174 3.265 . 0 0 "[ . 1 . 2]" 1
492 1 37 GLN HA 1 41 ARG H . . 5.400 5.188 4.682 5.463 0.063 1 0 "[ . 1 . 2]" 1
493 1 37 GLN QB 1 38 LYS H . . 3.650 2.990 2.445 3.624 . 0 0 "[ . 1 . 2]" 1
494 1 37 GLN HB2 1 38 LYS H . . 4.190 3.152 2.487 4.020 . 0 0 "[ . 1 . 2]" 1
495 1 37 GLN HB3 1 38 LYS H . . 4.190 3.854 3.489 4.240 0.050 16 0 "[ . 1 . 2]" 1
496 1 37 GLN QG 1 38 LYS H . . 4.510 3.417 2.115 4.421 . 0 0 "[ . 1 . 2]" 1
497 1 38 LYS H 1 38 LYS QD . . 4.030 3.664 3.246 4.075 0.045 6 0 "[ . 1 . 2]" 1
498 1 38 LYS H 1 38 LYS QE . . 4.800 4.335 3.291 4.870 0.070 3 0 "[ . 1 . 2]" 1
499 1 38 LYS H 1 38 LYS QG . . 3.430 2.221 1.871 2.481 . 0 0 "[ . 1 . 2]" 1
500 1 38 LYS H 1 39 MET H . . 3.430 2.589 2.453 2.790 . 0 0 "[ . 1 . 2]" 1
501 1 38 LYS H 1 39 MET HA . . 5.390 5.242 5.115 5.423 0.033 11 0 "[ . 1 . 2]" 1
502 1 38 LYS H 1 39 MET HB2 . . 4.800 4.565 4.366 4.767 . 0 0 "[ . 1 . 2]" 1
503 1 38 LYS H 1 40 LYS H . . 4.770 4.035 3.794 4.299 . 0 0 "[ . 1 . 2]" 1
504 1 38 LYS HA 1 38 LYS QD . . 4.220 3.306 2.232 4.231 0.011 15 0 "[ . 1 . 2]" 1
505 1 38 LYS HA 1 38 LYS QG . . 3.640 2.836 2.357 3.387 . 0 0 "[ . 1 . 2]" 1
506 1 38 LYS HA 1 41 ARG H . . 3.990 3.744 3.411 4.037 0.047 11 0 "[ . 1 . 2]" 1
507 1 38 LYS HA 1 41 ARG HB2 . . 4.650 3.875 3.163 4.440 . 0 0 "[ . 1 . 2]" 1
508 1 38 LYS HA 1 41 ARG QB . . 3.990 3.574 3.116 3.851 . 0 0 "[ . 1 . 2]" 1
509 1 38 LYS HA 1 41 ARG HB3 . . 4.650 4.266 3.664 4.699 0.049 8 0 "[ . 1 . 2]" 1
510 1 38 LYS HA 1 41 ARG QD . . 5.100 4.971 4.501 5.174 0.074 3 0 "[ . 1 . 2]" 1
511 1 38 LYS HA 1 42 VAL H . . 5.500 5.440 5.064 5.565 0.065 6 0 "[ . 1 . 2]" 1
512 1 38 LYS QD 1 39 MET H . . 4.990 4.766 4.343 5.059 0.069 10 0 "[ . 1 . 2]" 1
513 1 38 LYS QG 1 39 MET H . . 4.260 3.891 2.391 4.241 . 0 0 "[ . 1 . 2]" 1
514 1 39 MET H 1 39 MET HB2 . . 3.370 2.347 2.181 2.442 . 0 0 "[ . 1 . 2]" 1
515 1 39 MET H 1 39 MET HB3 . . 3.750 3.575 3.454 3.627 . 0 0 "[ . 1 . 2]" 1
516 1 39 MET H 1 39 MET HG2 . . 3.670 2.615 2.251 3.145 . 0 0 "[ . 1 . 2]" 1
517 1 39 MET H 1 39 MET HG3 . . 4.040 3.708 3.313 4.056 0.016 19 0 "[ . 1 . 2]" 1
518 1 39 MET H 1 40 LYS H . . 3.470 2.764 2.642 2.844 . 0 0 "[ . 1 . 2]" 1
519 1 39 MET H 1 40 LYS HB2 . . 4.600 4.636 4.460 4.667 0.067 1 0 "[ . 1 . 2]" 1
520 1 39 MET H 1 41 ARG H . . 4.470 4.432 4.273 4.523 0.053 1 0 "[ . 1 . 2]" 1
521 1 39 MET H 1 42 VAL QG . . 5.170 4.620 4.359 5.023 . 0 0 "[ . 1 . 2]" 1
522 1 39 MET H 1 113 LEU QD . . 5.040 3.417 2.947 3.837 . 0 0 "[ . 1 . 2]" 1
523 1 39 MET HA 1 39 MET HG3 . . 4.180 3.733 3.660 3.839 . 0 0 "[ . 1 . 2]" 1
524 1 39 MET HA 1 41 ARG H . . 4.590 4.016 3.825 4.224 . 0 0 "[ . 1 . 2]" 1
525 1 39 MET HA 1 42 VAL H . . 3.810 3.250 3.101 3.486 . 0 0 "[ . 1 . 2]" 1
526 1 39 MET HA 1 42 VAL HB . . 3.950 3.313 3.069 3.603 . 0 0 "[ . 1 . 2]" 1
527 1 39 MET HA 1 42 VAL MG1 . . 4.650 4.147 2.515 4.714 0.064 3 0 "[ . 1 . 2]" 1
528 1 39 MET HA 1 42 VAL QG . . 3.480 2.447 2.222 2.791 . 0 0 "[ . 1 . 2]" 1
529 1 39 MET HA 1 42 VAL MG2 . . 4.650 2.839 2.226 4.662 0.012 4 0 "[ . 1 . 2]" 1
530 1 39 MET HA 1 43 VAL H . . 4.730 4.304 3.901 4.682 . 0 0 "[ . 1 . 2]" 1
531 1 39 MET HA 1 113 LEU QD . . 4.620 2.858 2.138 3.326 . 0 0 "[ . 1 . 2]" 1
532 1 39 MET HB2 1 40 LYS H . . 4.020 2.893 2.590 3.076 . 0 0 "[ . 1 . 2]" 1
533 1 39 MET HB3 1 40 LYS H . . 4.770 3.621 3.279 3.864 . 0 0 "[ . 1 . 2]" 1
534 1 39 MET HG2 1 40 LYS H . . 5.160 4.740 4.468 5.013 . 0 0 "[ . 1 . 2]" 1
535 1 40 LYS H 1 40 LYS HB2 . . 3.230 2.171 2.079 2.264 . 0 0 "[ . 1 . 2]" 1
536 1 40 LYS H 1 40 LYS HB3 . . 3.470 3.464 3.222 3.520 0.050 2 0 "[ . 1 . 2]" 1
537 1 40 LYS H 1 40 LYS QD . . 3.410 2.608 2.300 3.217 . 0 0 "[ . 1 . 2]" 1
538 1 40 LYS H 1 40 LYS QE . . 5.230 4.515 4.155 5.131 . 0 0 "[ . 1 . 2]" 1
539 1 40 LYS H 1 40 LYS QG . . 4.010 3.692 3.373 3.893 . 0 0 "[ . 1 . 2]" 1
540 1 40 LYS H 1 41 ARG H . . 3.500 2.896 2.811 3.089 . 0 0 "[ . 1 . 2]" 1
541 1 40 LYS HA 1 40 LYS QD . . 3.480 2.636 2.381 3.561 0.081 8 0 "[ . 1 . 2]" 1
542 1 40 LYS HA 1 40 LYS QG . . 3.700 2.299 2.065 2.428 . 0 0 "[ . 1 . 2]" 1
543 1 40 LYS HA 1 43 VAL H . . 3.860 3.295 3.016 3.699 . 0 0 "[ . 1 . 2]" 1
544 1 40 LYS HA 1 43 VAL HB . . 3.560 2.530 2.116 2.988 . 0 0 "[ . 1 . 2]" 1
545 1 40 LYS HA 1 43 VAL MG1 . . 4.330 3.926 3.498 4.377 0.047 2 0 "[ . 1 . 2]" 1
546 1 40 LYS HA 1 44 GLN H . . 4.450 4.054 3.566 4.503 0.053 12 0 "[ . 1 . 2]" 1
547 1 40 LYS HA 1 44 GLN QG . . 4.920 4.172 3.415 4.600 . 0 0 "[ . 1 . 2]" 1
548 1 41 ARG H 1 41 ARG HB2 . . 3.180 2.359 2.027 2.639 . 0 0 "[ . 1 . 2]" 1
549 1 41 ARG H 1 41 ARG QB . . 2.770 2.183 2.008 2.282 . 0 0 "[ . 1 . 2]" 1
550 1 41 ARG H 1 41 ARG HB3 . . 3.180 2.638 2.413 3.259 0.079 8 0 "[ . 1 . 2]" 1
551 1 41 ARG H 1 41 ARG QD . . 4.800 4.342 3.818 4.724 . 0 0 "[ . 1 . 2]" 1
552 1 41 ARG H 1 42 VAL QG . . 4.470 3.928 3.527 4.559 0.089 6 0 "[ . 1 . 2]" 1
553 1 41 ARG H 1 43 VAL H . . 4.430 4.121 3.945 4.277 . 0 0 "[ . 1 . 2]" 1
554 1 41 ARG HA 1 41 ARG QD . . 4.450 3.529 1.998 4.306 . 0 0 "[ . 1 . 2]" 1
555 1 41 ARG HA 1 43 VAL H . . 4.720 4.513 4.252 4.730 0.010 4 0 "[ . 1 . 2]" 1
556 1 41 ARG HA 1 44 GLN H . . 4.090 3.524 3.179 3.799 . 0 0 "[ . 1 . 2]" 1
557 1 41 ARG HA 1 44 GLN QB . . 3.790 2.858 2.259 3.526 . 0 0 "[ . 1 . 2]" 1
558 1 41 ARG HA 1 45 HIS H . . 5.120 4.622 4.059 5.178 0.058 20 0 "[ . 1 . 2]" 1
559 1 41 ARG QB 1 42 VAL H . . 3.470 2.548 2.386 2.814 . 0 0 "[ . 1 . 2]" 1
560 1 41 ARG HB2 1 42 VAL H . . 4.130 3.764 2.947 3.971 . 0 0 "[ . 1 . 2]" 1
561 1 41 ARG HB3 1 42 VAL H . . 4.130 2.623 2.412 3.565 . 0 0 "[ . 1 . 2]" 1
562 1 41 ARG QD 1 42 VAL H . . 4.930 4.723 4.271 5.015 0.085 8 0 "[ . 1 . 2]" 1
563 1 42 VAL H 1 42 VAL HB . . 3.220 2.588 2.091 2.819 . 0 0 "[ . 1 . 2]" 1
564 1 42 VAL H 1 42 VAL MG1 . . 3.920 3.565 2.833 3.860 . 0 0 "[ . 1 . 2]" 1
565 1 42 VAL H 1 42 VAL QG . . 3.060 2.093 1.835 2.779 . 0 0 "[ . 1 . 2]" 1
566 1 42 VAL H 1 42 VAL MG2 . . 3.920 2.255 1.839 3.568 . 0 0 "[ . 1 . 2]" 1
567 1 42 VAL H 1 43 VAL H . . 3.370 2.620 2.496 2.737 . 0 0 "[ . 1 . 2]" 1
568 1 42 VAL H 1 43 VAL HA . . 5.210 5.243 5.133 5.276 0.066 19 0 "[ . 1 . 2]" 1
569 1 42 VAL H 1 44 GLN H . . 4.680 4.105 3.796 4.333 . 0 0 "[ . 1 . 2]" 1
570 1 42 VAL HA 1 42 VAL MG1 . . 3.550 2.475 2.220 3.250 . 0 0 "[ . 1 . 2]" 1
571 1 42 VAL HA 1 42 VAL QG . . 3.080 2.131 2.062 2.174 . 0 0 "[ . 1 . 2]" 1
572 1 42 VAL HA 1 42 VAL MG2 . . 3.550 2.495 2.087 2.704 . 0 0 "[ . 1 . 2]" 1
573 1 42 VAL HA 1 43 VAL MG2 . . 5.090 5.033 4.861 5.149 0.059 7 0 "[ . 1 . 2]" 1
574 1 42 VAL HA 1 45 HIS H . . 3.650 3.232 3.040 3.482 . 0 0 "[ . 1 . 2]" 1
575 1 42 VAL HA 1 45 HIS HB2 . . 4.370 3.428 3.004 4.005 . 0 0 "[ . 1 . 2]" 1
576 1 42 VAL HA 1 45 HIS QB . . 3.790 2.734 2.376 3.184 . 0 0 "[ . 1 . 2]" 1
577 1 42 VAL HA 1 45 HIS HB3 . . 4.370 2.894 2.442 3.596 . 0 0 "[ . 1 . 2]" 1
578 1 42 VAL HA 1 59 ILE MG . . 4.430 3.958 3.435 4.402 . 0 0 "[ . 1 . 2]" 1
579 1 42 VAL HB 1 43 VAL H . . 3.480 2.935 2.467 3.545 0.065 19 0 "[ . 1 . 2]" 1
580 1 42 VAL HB 1 59 ILE MG . . 5.330 4.829 4.204 5.387 0.057 3 0 "[ . 1 . 2]" 1
581 1 42 VAL QG 1 43 VAL H . . 3.370 3.164 2.233 3.452 0.082 2 0 "[ . 1 . 2]" 1
582 1 42 VAL QG 1 45 HIS H . . 4.340 4.192 3.960 4.404 0.064 9 0 "[ . 1 . 2]" 1
583 1 42 VAL QG 1 45 HIS HD2 . . 4.640 4.212 3.790 4.720 0.080 1 0 "[ . 1 . 2]" 1
584 1 42 VAL QG 1 46 THR H . . 4.560 4.351 4.068 4.637 0.077 18 0 "[ . 1 . 2]" 1
585 1 42 VAL QG 1 59 ILE MG . . 4.050 2.336 1.978 2.745 . 0 0 "[ . 1 . 2]" 1
586 1 42 VAL QG 1 110 TRP HE3 . . 4.010 3.595 3.105 4.096 0.086 12 0 "[ . 1 . 2]" 1
587 1 42 VAL QG 1 112 PHE QE . . 3.630 3.018 2.371 3.732 0.102 18 0 "[ . 1 . 2]" 1
588 1 42 VAL QG 1 113 LEU QD . . 3.400 2.688 2.000 3.176 . 0 0 "[ . 1 . 2]" 1
589 1 42 VAL QG 1 114 GLU H . . 5.440 5.459 4.979 5.538 0.098 16 0 "[ . 1 . 2]" 1
590 1 42 VAL MG1 1 43 VAL H . . 3.970 3.566 2.243 4.038 0.068 9 0 "[ . 1 . 2]" 1
591 1 42 VAL MG1 1 45 HIS H . . 5.380 4.530 4.260 4.936 . 0 0 "[ . 1 . 2]" 1
592 1 42 VAL MG1 1 110 TRP HE3 . . 4.950 4.206 3.494 4.794 . 0 0 "[ . 1 . 2]" 1
593 1 42 VAL MG1 1 110 TRP HZ3 . . 4.270 2.905 2.200 3.647 . 0 0 "[ . 1 . 2]" 1
594 1 42 VAL MG2 1 43 VAL H . . 3.970 3.796 3.584 4.063 0.093 6 0 "[ . 1 . 2]" 1
595 1 42 VAL MG2 1 45 HIS H . . 5.380 5.049 4.289 5.399 0.019 1 0 "[ . 1 . 2]" 1
596 1 42 VAL MG2 1 110 TRP HE3 . . 4.950 3.924 3.453 4.491 . 0 0 "[ . 1 . 2]" 1
597 1 42 VAL MG2 1 110 TRP HZ3 . . 4.270 3.523 3.042 4.267 . 0 0 "[ . 1 . 2]" 1
598 1 43 VAL H 1 43 VAL HB . . 3.130 2.538 2.325 2.695 . 0 0 "[ . 1 . 2]" 1
599 1 43 VAL H 1 43 VAL MG1 . . 3.810 3.796 3.739 3.843 0.033 20 0 "[ . 1 . 2]" 1
600 1 43 VAL H 1 44 GLN HA . . 5.460 5.365 5.195 5.498 0.038 20 0 "[ . 1 . 2]" 1
601 1 43 VAL H 1 45 HIS H . . 4.420 4.106 3.850 4.345 . 0 0 "[ . 1 . 2]" 1
602 1 43 VAL H 1 46 THR H . . 5.500 5.411 5.112 5.553 0.053 19 0 "[ . 1 . 2]" 1
603 1 43 VAL HA 1 43 VAL MG1 . . 2.970 2.443 2.299 2.555 . 0 0 "[ . 1 . 2]" 1
604 1 43 VAL HA 1 45 HIS H . . 5.400 4.139 3.866 4.501 . 0 0 "[ . 1 . 2]" 1
605 1 43 VAL HA 1 46 THR H . . 4.550 3.800 3.474 4.194 . 0 0 "[ . 1 . 2]" 1
606 1 43 VAL HA 1 46 THR HB . . 4.870 4.767 4.417 4.932 0.062 10 0 "[ . 1 . 2]" 1
607 1 43 VAL HA 1 46 THR MG . . 3.790 2.582 2.176 3.560 . 0 0 "[ . 1 . 2]" 1
608 1 43 VAL HA 1 47 LYS H . . 5.470 4.720 4.154 5.396 . 0 0 "[ . 1 . 2]" 1
609 1 43 VAL HA 1 63 LEU QD . . 4.560 4.144 3.221 4.640 0.080 1 0 "[ . 1 . 2]" 1
610 1 43 VAL HB 1 44 GLN H . . 2.990 2.840 2.585 3.037 0.047 19 0 "[ . 1 . 2]" 1
611 1 43 VAL HB 1 44 GLN QG . . 3.720 3.620 3.123 3.785 0.065 19 0 "[ . 1 . 2]" 1
612 1 43 VAL MG1 1 44 GLN H . . 3.830 3.621 3.328 3.843 0.013 15 0 "[ . 1 . 2]" 1
613 1 43 VAL MG1 1 44 GLN HA . . 4.010 3.745 3.487 4.042 0.032 2 0 "[ . 1 . 2]" 1
614 1 43 VAL MG1 1 44 GLN QB . . 5.500 4.895 4.401 5.149 . 0 0 "[ . 1 . 2]" 1
615 1 43 VAL MG1 1 47 LYS H . . 5.150 4.565 4.010 5.200 0.050 4 0 "[ . 1 . 2]" 1
616 1 44 GLN H 1 44 GLN QB . . 3.600 2.375 2.268 2.603 . 0 0 "[ . 1 . 2]" 1
617 1 44 GLN H 1 44 GLN QG . . 3.620 2.436 2.149 2.644 . 0 0 "[ . 1 . 2]" 1
618 1 44 GLN H 1 45 HIS H . . 3.420 2.730 2.587 2.928 . 0 0 "[ . 1 . 2]" 1
619 1 44 GLN H 1 46 THR MG . . 4.880 4.680 4.312 4.925 0.045 18 0 "[ . 1 . 2]" 1
620 1 44 GLN H 1 47 LYS QB . . 5.060 4.768 4.403 5.125 0.065 4 0 "[ . 1 . 2]" 1
621 1 44 GLN HA 1 44 GLN QG . . 3.580 2.479 2.214 2.965 . 0 0 "[ . 1 . 2]" 1
622 1 44 GLN HA 1 46 THR MG . . 4.590 4.423 3.931 4.663 0.073 13 0 "[ . 1 . 2]" 1
623 1 44 GLN HA 1 47 LYS H . . 4.010 3.372 3.063 3.651 . 0 0 "[ . 1 . 2]" 1
624 1 44 GLN HA 1 47 LYS QB . . 3.900 2.422 2.144 2.753 . 0 0 "[ . 1 . 2]" 1
625 1 44 GLN HA 1 47 LYS QD . . 4.080 3.331 2.108 4.131 0.051 15 0 "[ . 1 . 2]" 1
626 1 44 GLN HA 1 47 LYS QE . . 4.650 3.443 2.123 4.701 0.051 4 0 "[ . 1 . 2]" 1
627 1 44 GLN HA 1 47 LYS QG . . 4.470 4.131 3.319 4.537 0.067 12 0 "[ . 1 . 2]" 1
628 1 44 GLN HA 1 48 GLY H . . 5.340 4.755 4.246 5.322 . 0 0 "[ . 1 . 2]" 1
629 1 44 GLN QG 1 45 HIS H . . 4.540 4.417 4.116 4.538 . 0 0 "[ . 1 . 2]" 1
630 1 44 GLN QG 1 47 LYS QD . . 4.380 3.788 2.850 4.454 0.074 14 0 "[ . 1 . 2]" 1
631 1 45 HIS H 1 45 HIS HB2 . . 3.170 2.770 2.539 2.955 . 0 0 "[ . 1 . 2]" 1
632 1 45 HIS H 1 45 HIS HB3 . . 3.170 2.375 2.211 2.532 . 0 0 "[ . 1 . 2]" 1
633 1 45 HIS H 1 46 THR H . . 3.420 2.910 2.666 3.072 . 0 0 "[ . 1 . 2]" 1
634 1 45 HIS H 1 46 THR MG . . 4.260 4.057 3.777 4.329 0.069 18 0 "[ . 1 . 2]" 1
635 1 45 HIS H 1 47 LYS H . . 4.650 4.044 3.742 4.211 . 0 0 "[ . 1 . 2]" 1
636 1 45 HIS HA 1 45 HIS HD2 . . 4.630 4.388 4.216 4.545 . 0 0 "[ . 1 . 2]" 1
637 1 45 HIS HA 1 47 LYS H . . 4.980 4.269 4.060 4.443 . 0 0 "[ . 1 . 2]" 1
638 1 45 HIS QB 1 45 HIS HE1 . . 4.520 4.516 4.459 4.552 0.032 10 0 "[ . 1 . 2]" 1
639 1 45 HIS QB 1 46 THR H . . 3.960 2.576 2.446 2.723 . 0 0 "[ . 1 . 2]" 1
640 1 45 HIS QB 1 59 ILE MG . . 4.230 3.252 2.673 4.015 . 0 0 "[ . 1 . 2]" 1
641 1 45 HIS QB 1 112 PHE QE . . 5.340 4.709 4.295 5.406 0.066 18 0 "[ . 1 . 2]" 1
642 1 45 HIS HB2 1 46 THR H . . 4.700 4.001 3.896 4.108 . 0 0 "[ . 1 . 2]" 1
643 1 45 HIS HB3 1 46 THR H . . 4.700 2.608 2.471 2.764 . 0 0 "[ . 1 . 2]" 1
644 1 45 HIS HD2 1 46 THR H . . 3.450 2.874 2.672 3.270 . 0 0 "[ . 1 . 2]" 1
645 1 45 HIS HD2 1 46 THR HA . . 3.150 3.055 2.737 3.212 0.062 15 0 "[ . 1 . 2]" 1
646 1 45 HIS HD2 1 46 THR HB . . 3.640 3.052 2.774 3.356 . 0 0 "[ . 1 . 2]" 1
647 1 45 HIS HD2 1 46 THR MG . . 4.200 4.077 3.747 4.277 0.077 18 0 "[ . 1 . 2]" 1
648 1 45 HIS HD2 1 49 CYS HB2 . . 4.630 3.688 3.398 4.103 . 0 0 "[ . 1 . 2]" 1
649 1 45 HIS HD2 1 49 CYS QB . . 3.940 3.497 3.261 3.776 . 0 0 "[ . 1 . 2]" 1
650 1 45 HIS HD2 1 49 CYS HB3 . . 4.630 4.447 3.610 4.690 0.060 1 0 "[ . 1 . 2]" 1
651 1 45 HIS HD2 1 59 ILE HB . . 3.780 3.125 2.748 3.809 0.029 3 0 "[ . 1 . 2]" 1
652 1 45 HIS HD2 1 59 ILE MD . . 4.510 3.889 3.094 4.591 0.081 15 0 "[ . 1 . 2]" 1
653 1 45 HIS HD2 1 59 ILE QG . . 5.500 4.730 4.098 5.539 0.039 3 0 "[ . 1 . 2]" 1
654 1 45 HIS HD2 1 59 ILE MG . . 3.190 2.723 2.206 3.262 0.072 13 0 "[ . 1 . 2]" 1
655 1 45 HIS HD2 1 60 CYS H . . 4.300 3.832 3.436 4.208 . 0 0 "[ . 1 . 2]" 1
656 1 45 HIS HD2 1 60 CYS HA . . 4.610 4.386 3.504 4.676 0.066 17 0 "[ . 1 . 2]" 1
657 1 45 HIS HD2 1 60 CYS QB . . 4.790 4.146 3.095 4.848 0.058 6 0 "[ . 1 . 2]" 1
658 1 45 HIS HE1 1 49 CYS QB . . 4.620 3.642 2.999 4.671 0.051 13 0 "[ . 1 . 2]" 1
659 1 45 HIS HE1 1 59 ILE HB . . 4.220 4.171 3.740 4.274 0.054 9 0 "[ . 1 . 2]" 1
660 1 45 HIS HE1 1 59 ILE MD . . 3.660 3.332 2.724 3.726 0.066 7 0 "[ . 1 . 2]" 1
661 1 45 HIS HE1 1 59 ILE QG . . 5.090 4.969 4.368 5.152 0.062 1 0 "[ . 1 . 2]" 1
662 1 46 THR H 1 46 THR HB . . 3.820 2.565 2.306 2.842 . 0 0 "[ . 1 . 2]" 1
663 1 46 THR H 1 46 THR MG . . 3.400 2.110 1.958 2.323 . 0 0 "[ . 1 . 2]" 1
664 1 46 THR H 1 47 LYS H . . 3.460 2.772 2.556 2.922 . 0 0 "[ . 1 . 2]" 1
665 1 46 THR H 1 59 ILE MG . . 4.700 4.348 3.705 4.767 0.067 2 0 "[ . 1 . 2]" 1
666 1 46 THR HA 1 46 THR MG . . 3.580 3.242 3.171 3.283 . 0 0 "[ . 1 . 2]" 1
667 1 46 THR HA 1 47 LYS QB . . 5.360 5.201 5.110 5.421 0.061 3 0 "[ . 1 . 2]" 1
668 1 46 THR HA 1 48 GLY H . . 4.340 3.995 3.692 4.384 0.044 4 0 "[ . 1 . 2]" 1
669 1 46 THR HA 1 49 CYS H . . 3.720 3.079 2.833 3.424 . 0 0 "[ . 1 . 2]" 1
670 1 46 THR HA 1 49 CYS HB2 . . 4.270 2.692 2.307 3.361 . 0 0 "[ . 1 . 2]" 1
671 1 46 THR HA 1 49 CYS QB . . 3.690 2.354 1.951 2.765 . 0 0 "[ . 1 . 2]" 1
672 1 46 THR HA 1 49 CYS HB3 . . 4.270 2.722 2.052 3.220 . 0 0 "[ . 1 . 2]" 1
673 1 46 THR HA 1 60 CYS H . . 5.500 5.388 4.944 5.568 0.068 14 0 "[ . 1 . 2]" 1
674 1 46 THR HA 1 63 LEU QD . . 5.500 4.867 4.073 5.590 0.090 2 0 "[ . 1 . 2]" 1
675 1 46 THR HA 1 83 PHE QE . . 5.470 5.144 4.933 5.400 . 0 0 "[ . 1 . 2]" 1
676 1 46 THR HA 1 83 PHE HZ . . 4.720 4.710 4.457 4.789 0.069 4 0 "[ . 1 . 2]" 1
677 1 46 THR HB 1 47 LYS H . . 4.170 4.175 3.937 4.235 0.065 11 0 "[ . 1 . 2]" 1
678 1 46 THR HB 1 63 LEU QD . . 4.280 3.030 2.260 3.817 . 0 0 "[ . 1 . 2]" 1
679 1 46 THR HB 1 83 PHE QE . . 4.170 3.933 3.247 4.219 0.049 20 0 "[ . 1 . 2]" 1
680 1 46 THR HB 1 83 PHE HZ . . 3.690 3.531 2.850 3.760 0.070 11 0 "[ . 1 . 2]" 1
681 1 46 THR MG 1 47 LYS H . . 3.810 2.462 2.215 2.693 . 0 0 "[ . 1 . 2]" 1
682 1 46 THR MG 1 47 LYS QB . . 3.610 3.501 3.032 3.711 0.101 20 0 "[ . 1 . 2]" 1
683 1 46 THR MG 1 48 GLY H . . 4.670 4.656 4.380 4.749 0.079 11 0 "[ . 1 . 2]" 1
684 1 46 THR MG 1 49 CYS H . . 5.010 5.018 4.727 5.098 0.088 4 0 "[ . 1 . 2]" 1
685 1 46 THR MG 1 60 CYS HA . . 5.170 4.927 4.187 5.226 0.056 12 0 "[ . 1 . 2]" 1
686 1 46 THR MG 1 63 LEU QD . . 3.600 2.743 2.209 3.671 0.071 18 0 "[ . 1 . 2]" 1
687 1 46 THR MG 1 83 PHE QE . . 3.220 2.746 2.061 3.313 0.093 9 0 "[ . 1 . 2]" 1
688 1 46 THR MG 1 83 PHE HZ . . 4.260 3.678 2.651 4.143 . 0 0 "[ . 1 . 2]" 1
689 1 47 LYS H 1 47 LYS QB . . 2.950 2.195 2.021 2.349 . 0 0 "[ . 1 . 2]" 1
690 1 47 LYS H 1 47 LYS QE . . 4.990 4.504 4.007 4.934 . 0 0 "[ . 1 . 2]" 1
691 1 47 LYS H 1 47 LYS QG . . 4.120 3.609 2.346 4.041 . 0 0 "[ . 1 . 2]" 1
692 1 47 LYS H 1 48 GLY H . . 3.230 2.805 2.456 2.973 . 0 0 "[ . 1 . 2]" 1
693 1 47 LYS H 1 48 GLY HA2 . . 5.500 5.445 5.178 5.561 0.061 11 0 "[ . 1 . 2]" 1
694 1 47 LYS H 1 48 GLY QA . . 4.840 4.723 4.422 4.898 0.058 11 0 "[ . 1 . 2]" 1
695 1 47 LYS H 1 48 GLY HA3 . . 5.500 5.182 4.799 5.439 . 0 0 "[ . 1 . 2]" 1
696 1 47 LYS H 1 49 CYS H . . 4.050 4.046 3.841 4.118 0.068 19 0 "[ . 1 . 2]" 1
697 1 47 LYS HA 1 47 LYS QG . . 3.770 2.388 2.170 3.356 . 0 0 "[ . 1 . 2]" 1
698 1 47 LYS QB 1 47 LYS QD . . 3.220 2.347 2.129 2.475 . 0 0 "[ . 1 . 2]" 1
699 1 47 LYS QB 1 48 GLY H . . 3.440 2.913 2.478 3.486 0.046 11 0 "[ . 1 . 2]" 1
700 1 47 LYS QB 1 48 GLY HA2 . . 5.000 4.410 3.951 4.788 . 0 0 "[ . 1 . 2]" 1
701 1 47 LYS QB 1 48 GLY QA . . 4.370 3.841 3.559 4.292 . 0 0 "[ . 1 . 2]" 1
702 1 47 LYS QB 1 48 GLY HA3 . . 5.000 4.235 4.043 4.848 . 0 0 "[ . 1 . 2]" 1
703 1 47 LYS QB 1 49 CYS H . . 4.860 4.732 4.499 4.924 0.064 11 0 "[ . 1 . 2]" 1
704 1 47 LYS QG 1 48 GLY H . . 4.730 4.085 2.236 4.644 . 0 0 "[ . 1 . 2]" 1
705 1 48 GLY H 1 49 CYS H . . 2.950 2.235 1.785 2.564 . 0 0 "[ . 1 . 2]" 1
706 1 48 GLY H 1 49 CYS HA . . 5.500 4.601 4.309 4.964 . 0 0 "[ . 1 . 2]" 1
707 1 48 GLY H 1 49 CYS QB . . 4.860 3.849 3.410 4.187 . 0 0 "[ . 1 . 2]" 1
708 1 49 CYS H 1 49 CYS HB2 . . 3.000 2.435 2.111 2.760 . 0 0 "[ . 1 . 2]" 1
709 1 49 CYS H 1 49 CYS HB3 . . 3.000 2.754 2.371 3.043 0.043 3 0 "[ . 1 . 2]" 1
710 1 49 CYS H 1 50 LYS H . . 4.650 4.226 3.981 4.489 . 0 0 "[ . 1 . 2]" 1
711 1 49 CYS H 1 50 LYS HA . . 5.500 5.366 4.996 5.557 0.057 13 0 "[ . 1 . 2]" 1
712 1 49 CYS HA 1 50 LYS H . . 3.440 2.181 2.094 2.286 . 0 0 "[ . 1 . 2]" 1
713 1 49 CYS HA 1 50 LYS HA . . 4.750 4.476 4.405 4.555 . 0 0 "[ . 1 . 2]" 1
714 1 49 CYS HA 1 51 ARG H . . 4.060 3.291 2.887 3.896 . 0 0 "[ . 1 . 2]" 1
715 1 49 CYS HA 1 51 ARG QB . . 4.650 4.383 3.775 4.725 0.075 8 0 "[ . 1 . 2]" 1
716 1 50 LYS H 1 50 LYS QD . . 4.470 3.918 2.497 4.532 0.062 20 0 "[ . 1 . 2]" 1
717 1 50 LYS H 1 50 LYS QG . . 4.570 3.501 2.220 4.178 . 0 0 "[ . 1 . 2]" 1
718 1 50 LYS H 1 51 ARG H . . 3.640 2.448 1.888 2.788 . 0 0 "[ . 1 . 2]" 1
719 1 50 LYS HA 1 50 LYS HD2 . . 3.930 2.697 2.181 3.606 . 0 0 "[ . 1 . 2]" 1
720 1 50 LYS HA 1 50 LYS QD . . 3.380 2.283 2.062 3.289 . 0 0 "[ . 1 . 2]" 1
721 1 50 LYS HA 1 50 LYS HD3 . . 3.930 2.943 2.087 3.801 . 0 0 "[ . 1 . 2]" 1
722 1 50 LYS HA 1 50 LYS QG . . 3.420 2.818 2.312 3.183 . 0 0 "[ . 1 . 2]" 1
723 1 50 LYS QB 1 51 ARG H . . 4.240 3.128 2.453 3.686 . 0 0 "[ . 1 . 2]" 1
724 1 51 ARG H 1 51 ARG QB . . 3.210 2.302 2.041 2.664 . 0 0 "[ . 1 . 2]" 1
725 1 51 ARG H 1 51 ARG QD . . 4.680 4.215 3.763 4.712 0.032 12 0 "[ . 1 . 2]" 1
726 1 51 ARG H 1 51 ARG QG . . 4.750 3.113 1.920 4.096 . 0 0 "[ . 1 . 2]" 1
727 1 51 ARG HA 1 51 ARG QD . . 4.480 3.362 2.054 4.532 0.052 14 0 "[ . 1 . 2]" 1
728 1 51 ARG HA 1 51 ARG QG . . 3.690 2.572 2.308 3.428 . 0 0 "[ . 1 . 2]" 1
729 1 51 ARG HA 1 54 ASN QB . . 4.810 2.783 2.006 4.646 . 0 0 "[ . 1 . 2]" 1
730 1 51 ARG HA 1 56 GLY H . . 4.940 4.507 3.914 5.002 0.062 12 0 "[ . 1 . 2]" 1
731 1 51 ARG QB 1 56 GLY H . . 4.810 3.734 2.771 4.562 . 0 0 "[ . 1 . 2]" 1
732 1 51 ARG QB 1 57 CYS H . . 4.050 3.225 2.180 4.123 0.073 14 0 "[ . 1 . 2]" 1
733 1 51 ARG QD 1 57 CYS H . . 4.960 4.212 2.818 5.027 0.067 3 0 "[ . 1 . 2]" 1
734 1 51 ARG QD 1 58 PRO QD . . 5.500 4.670 2.468 5.587 0.087 14 0 "[ . 1 . 2]" 1
735 1 52 LYS H 1 52 LYS HB2 . . 3.940 2.821 2.255 3.609 . 0 0 "[ . 1 . 2]" 1
736 1 52 LYS H 1 52 LYS HB3 . . 3.940 2.711 2.313 3.643 . 0 0 "[ . 1 . 2]" 1
737 1 52 LYS H 1 52 LYS QD . . 4.180 4.023 3.544 4.268 0.088 6 0 "[ . 1 . 2]" 1
738 1 52 LYS H 1 52 LYS QG . . 4.170 3.069 1.770 4.111 . 0 0 "[ . 1 . 2]" 1
739 1 52 LYS H 1 53 THR H . . 4.290 2.939 2.631 3.139 . 0 0 "[ . 1 . 2]" 1
740 1 52 LYS HA 1 56 GLY H . . 4.490 3.330 2.489 3.855 . 0 0 "[ . 1 . 2]" 1
741 1 52 LYS HA 1 57 CYS H . . 4.200 3.294 2.057 4.263 0.063 11 0 "[ . 1 . 2]" 1
742 1 52 LYS QB 1 53 THR H . . 3.820 2.784 2.050 3.805 . 0 0 "[ . 1 . 2]" 1
743 1 52 LYS HB2 1 53 THR H . . 4.410 3.602 2.071 4.223 . 0 0 "[ . 1 . 2]" 1
744 1 52 LYS HB3 1 53 THR H . . 4.410 3.202 2.330 4.392 . 0 0 "[ . 1 . 2]" 1
745 1 52 LYS QD 1 53 THR H . . 4.820 4.529 4.012 4.888 0.068 5 0 "[ . 1 . 2]" 1
746 1 52 LYS QD 1 83 PHE QE . . 4.490 4.286 2.858 4.584 0.094 15 0 "[ . 1 . 2]" 1
747 1 52 LYS QD 1 83 PHE HZ . . 4.170 3.904 2.579 4.247 0.077 10 0 "[ . 1 . 2]" 1
748 1 52 LYS HD2 1 53 THR H . . 5.500 5.247 4.751 5.569 0.069 12 0 "[ . 1 . 2]" 1
749 1 52 LYS HD3 1 53 THR H . . 5.500 5.058 4.323 5.565 0.065 9 0 "[ . 1 . 2]" 1
750 1 52 LYS QE 1 83 PHE QE . . 4.780 3.882 2.360 4.847 0.067 9 0 "[ . 1 . 2]" 1
751 1 52 LYS QE 1 83 PHE HZ . . 4.740 3.998 2.594 4.794 0.054 1 0 "[ . 1 . 2]" 1
752 1 52 LYS QG 1 53 THR H . . 4.630 3.263 2.063 4.361 . 0 0 "[ . 1 . 2]" 1
753 1 53 THR H 1 53 THR HB . . 4.020 2.943 2.245 3.674 . 0 0 "[ . 1 . 2]" 1
754 1 53 THR H 1 53 THR MG . . 4.090 3.121 2.200 3.773 . 0 0 "[ . 1 . 2]" 1
755 1 53 THR HA 1 53 THR MG . . 3.440 2.395 2.194 3.275 . 0 0 "[ . 1 . 2]" 1
756 1 54 ASN QB 1 55 GLY H . . 4.330 3.125 2.349 3.988 . 0 0 "[ . 1 . 2]" 1
757 1 54 ASN QB 1 56 GLY H . . 4.840 4.182 3.465 4.920 0.080 15 0 "[ . 1 . 2]" 1
758 1 55 GLY H 1 56 GLY H . . 3.600 2.597 1.678 3.549 . 0 0 "[ . 1 . 2]" 1
759 1 55 GLY QA 1 56 GLY H . . 3.060 2.606 2.148 2.996 . 0 0 "[ . 1 . 2]" 1
760 1 56 GLY H 1 57 CYS H . . 3.910 3.553 2.913 3.980 0.070 1 0 "[ . 1 . 2]" 1
761 1 56 GLY H 1 61 LYS QD . . 5.330 4.763 3.293 5.400 0.070 6 0 "[ . 1 . 2]" 1
762 1 56 GLY HA2 1 57 CYS H . . 3.470 2.404 2.139 3.468 . 0 0 "[ . 1 . 2]" 1
763 1 56 GLY HA3 1 57 CYS H . . 3.470 3.137 2.153 3.529 0.059 6 0 "[ . 1 . 2]" 1
764 1 57 CYS H 1 57 CYS HB2 . . 3.560 3.033 2.267 3.614 0.054 10 0 "[ . 1 . 2]" 1
765 1 57 CYS H 1 57 CYS QB . . 3.110 2.551 2.034 2.985 . 0 0 "[ . 1 . 2]" 1
766 1 57 CYS H 1 57 CYS HB3 . . 3.560 3.015 2.085 3.605 0.045 1 0 "[ . 1 . 2]" 1
767 1 57 CYS H 1 61 LYS QD . . 4.940 4.474 3.658 5.004 0.064 5 0 "[ . 1 . 2]" 1
768 1 57 CYS QB 1 58 PRO QD . . 4.750 2.352 1.915 3.556 . 0 0 "[ . 1 . 2]" 1
769 1 57 CYS QB 1 59 ILE H . . 4.410 3.455 2.922 4.247 . 0 0 "[ . 1 . 2]" 1
770 1 58 PRO HA 1 61 LYS H . . 4.100 3.685 3.364 3.913 . 0 0 "[ . 1 . 2]" 1
771 1 58 PRO HA 1 61 LYS QB . . 3.830 2.652 2.214 3.890 0.060 5 0 "[ . 1 . 2]" 1
772 1 58 PRO HA 1 61 LYS HD2 . . 4.720 4.242 3.210 4.780 0.060 2 0 "[ . 1 . 2]" 1
773 1 58 PRO HA 1 61 LYS HD3 . . 4.720 3.290 2.153 4.773 0.053 19 0 "[ . 1 . 2]" 1
774 1 58 PRO HA 1 61 LYS QE . . 5.380 4.261 1.906 5.454 0.074 7 0 "[ . 1 . 2]" 1
775 1 58 PRO HA 1 62 GLN H . . 4.750 3.926 3.262 4.406 . 0 0 "[ . 1 . 2]" 1
776 1 58 PRO HA 1 62 GLN QG . . 3.970 3.752 2.962 4.065 0.095 7 0 "[ . 1 . 2]" 1
777 1 58 PRO QB 1 59 ILE H . . 3.940 3.083 2.648 3.601 . 0 0 "[ . 1 . 2]" 1
778 1 58 PRO QD 1 59 ILE H . . 3.780 3.015 2.790 3.202 . 0 0 "[ . 1 . 2]" 1
779 1 58 PRO QD 1 122 PRO QB . . 4.150 3.274 2.148 4.231 0.081 5 0 "[ . 1 . 2]" 1
780 1 58 PRO QD 1 122 PRO QG . . 3.800 2.833 2.032 3.851 0.051 1 0 "[ . 1 . 2]" 1
781 1 58 PRO HG2 1 59 ILE H . . 4.890 2.174 1.820 2.674 . 0 0 "[ . 1 . 2]" 1
782 1 58 PRO HG2 1 59 ILE HA . . 4.340 4.351 4.232 4.404 0.064 16 0 "[ . 1 . 2]" 1
783 1 58 PRO HG2 1 60 CYS H . . 5.230 5.005 4.412 5.294 0.064 6 0 "[ . 1 . 2]" 1
784 1 59 ILE H 1 59 ILE HB . . 3.330 2.525 2.315 2.748 . 0 0 "[ . 1 . 2]" 1
785 1 59 ILE H 1 59 ILE MD . . 4.240 2.846 1.650 3.650 . 0 0 "[ . 1 . 2]" 1
786 1 59 ILE H 1 59 ILE QG . . 3.570 2.423 1.857 3.336 . 0 0 "[ . 1 . 2]" 1
787 1 59 ILE H 1 59 ILE MG . . 4.120 3.790 3.746 3.837 . 0 0 "[ . 1 . 2]" 1
788 1 59 ILE H 1 60 CYS H . . 3.350 2.954 2.613 3.088 . 0 0 "[ . 1 . 2]" 1
789 1 59 ILE H 1 60 CYS HA . . 5.500 5.479 5.228 5.556 0.056 14 0 "[ . 1 . 2]" 1
790 1 59 ILE H 1 61 LYS H . . 4.480 4.161 3.773 4.446 . 0 0 "[ . 1 . 2]" 1
791 1 59 ILE H 1 62 GLN QG . . 5.250 4.935 4.427 5.327 0.077 4 0 "[ . 1 . 2]" 1
792 1 59 ILE H 1 120 VAL QG . . 3.990 3.800 3.249 4.083 0.093 15 0 "[ . 1 . 2]" 1
793 1 59 ILE HA 1 59 ILE MD . . 4.170 3.641 2.930 3.992 . 0 0 "[ . 1 . 2]" 1
794 1 59 ILE HA 1 59 ILE MG . . 3.380 2.491 2.324 2.646 . 0 0 "[ . 1 . 2]" 1
795 1 59 ILE HA 1 60 CYS HA . . 5.500 4.782 4.640 4.876 . 0 0 "[ . 1 . 2]" 1
796 1 59 ILE HA 1 62 GLN H . . 4.470 3.885 3.631 4.353 . 0 0 "[ . 1 . 2]" 1
797 1 59 ILE HA 1 62 GLN QG . . 4.710 3.750 2.488 4.442 . 0 0 "[ . 1 . 2]" 1
798 1 59 ILE HA 1 109 ILE MD . . 4.730 2.544 2.085 3.284 . 0 0 "[ . 1 . 2]" 1
799 1 59 ILE HA 1 109 ILE MG . . 4.630 3.234 2.488 4.230 . 0 0 "[ . 1 . 2]" 1
800 1 59 ILE HB 1 59 ILE MD . . 3.520 2.322 2.237 2.442 . 0 0 "[ . 1 . 2]" 1
801 1 59 ILE HB 1 60 CYS H . . 3.310 2.369 2.137 2.553 . 0 0 "[ . 1 . 2]" 1
802 1 59 ILE HB 1 60 CYS HA . . 5.040 4.368 4.098 4.516 . 0 0 "[ . 1 . 2]" 1
803 1 59 ILE HB 1 120 VAL QG . . 4.300 3.906 3.324 4.365 0.065 11 0 "[ . 1 . 2]" 1
804 1 59 ILE MD 1 59 ILE MG . . 3.130 2.467 2.039 3.212 0.082 4 0 "[ . 1 . 2]" 1
805 1 59 ILE MD 1 60 CYS H . . 4.720 4.100 3.465 4.570 . 0 0 "[ . 1 . 2]" 1
806 1 59 ILE MD 1 112 PHE QD . . 4.550 4.244 3.723 4.632 0.082 11 0 "[ . 1 . 2]" 1
807 1 59 ILE MD 1 112 PHE QE . . 4.090 2.986 2.539 4.165 0.075 15 0 "[ . 1 . 2]" 1
808 1 59 ILE MD 1 112 PHE HZ . . 4.550 2.661 2.038 4.567 0.017 15 0 "[ . 1 . 2]" 1
809 1 59 ILE MD 1 120 VAL QG . . 3.260 1.897 1.752 2.064 . 0 0 "[ . 1 . 2]" 1
810 1 59 ILE QG 1 60 CYS H . . 4.430 4.159 3.852 4.466 0.036 15 0 "[ . 1 . 2]" 1
811 1 59 ILE QG 1 109 ILE H . . 5.500 5.473 4.959 5.577 0.077 3 0 "[ . 1 . 2]" 1
812 1 59 ILE QG 1 109 ILE HA . . 4.410 3.661 3.272 3.974 . 0 0 "[ . 1 . 2]" 1
813 1 59 ILE QG 1 109 ILE HB . . 4.810 4.691 4.475 4.879 0.069 5 0 "[ . 1 . 2]" 1
814 1 59 ILE QG 1 109 ILE MD . . 3.480 3.307 2.910 3.567 0.087 20 0 "[ . 1 . 2]" 1
815 1 59 ILE QG 1 109 ILE QG . . 3.210 2.255 2.010 2.717 . 0 0 "[ . 1 . 2]" 1
816 1 59 ILE QG 1 112 PHE QD . . 5.050 4.318 3.781 4.941 . 0 0 "[ . 1 . 2]" 1
817 1 59 ILE QG 1 120 VAL QG . . 3.140 2.797 2.097 3.229 0.089 1 0 "[ . 1 . 2]" 1
818 1 59 ILE MG 1 60 CYS H . . 3.990 3.142 2.867 3.485 . 0 0 "[ . 1 . 2]" 1
819 1 59 ILE MG 1 60 CYS HA . . 4.150 3.316 3.103 3.606 . 0 0 "[ . 1 . 2]" 1
820 1 59 ILE MG 1 63 LEU H . . 4.610 4.322 3.912 4.658 0.048 19 0 "[ . 1 . 2]" 1
821 1 59 ILE MG 1 63 LEU QB . . 4.080 3.446 3.083 4.163 0.083 14 0 "[ . 1 . 2]" 1
822 1 59 ILE MG 1 112 PHE QE . . 4.940 3.515 3.013 4.199 . 0 0 "[ . 1 . 2]" 1
823 1 59 ILE MG 1 112 PHE HZ . . 5.150 3.266 2.251 4.108 . 0 0 "[ . 1 . 2]" 1
824 1 60 CYS H 1 60 CYS HB2 . . 3.760 3.030 2.523 3.635 . 0 0 "[ . 1 . 2]" 1
825 1 60 CYS H 1 60 CYS HB3 . . 3.760 3.248 2.659 3.560 . 0 0 "[ . 1 . 2]" 1
826 1 60 CYS H 1 61 LYS H . . 3.630 2.795 2.529 3.014 . 0 0 "[ . 1 . 2]" 1
827 1 60 CYS H 1 61 LYS HA . . 5.500 5.425 5.222 5.557 0.057 4 0 "[ . 1 . 2]" 1
828 1 60 CYS H 1 61 LYS QB . . 4.890 4.702 4.241 4.960 0.070 5 0 "[ . 1 . 2]" 1
829 1 60 CYS H 1 120 VAL QG . . 5.500 5.301 4.517 5.606 0.106 14 0 "[ . 1 . 2]" 1
830 1 60 CYS HA 1 61 LYS HA . . 5.070 4.826 4.704 4.924 . 0 0 "[ . 1 . 2]" 1
831 1 60 CYS HA 1 62 GLN H . . 4.960 4.666 4.322 4.935 . 0 0 "[ . 1 . 2]" 1
832 1 60 CYS HA 1 63 LEU H . . 4.460 3.388 3.001 3.634 . 0 0 "[ . 1 . 2]" 1
833 1 60 CYS HA 1 63 LEU QB . . 3.830 2.474 2.035 2.805 . 0 0 "[ . 1 . 2]" 1
834 1 60 CYS HA 1 63 LEU QD . . 4.020 2.964 2.231 3.513 . 0 0 "[ . 1 . 2]" 1
835 1 60 CYS HA 1 64 ILE H . . 5.020 4.653 4.058 5.077 0.057 13 0 "[ . 1 . 2]" 1
836 1 60 CYS HA 1 83 PHE QE . . 3.780 3.655 3.099 3.841 0.061 19 0 "[ . 1 . 2]" 1
837 1 60 CYS HA 1 83 PHE HZ . . 4.120 3.509 2.913 4.083 . 0 0 "[ . 1 . 2]" 1
838 1 60 CYS QB 1 61 LYS H . . 3.510 3.009 2.217 3.556 0.046 11 0 "[ . 1 . 2]" 1
839 1 60 CYS QB 1 64 ILE MD . . 5.080 4.094 3.569 4.618 . 0 0 "[ . 1 . 2]" 1
840 1 60 CYS QB 1 83 PHE QE . . 4.110 3.579 2.756 4.144 0.034 13 0 "[ . 1 . 2]" 1
841 1 60 CYS QB 1 83 PHE HZ . . 3.470 2.970 2.381 3.484 0.014 20 0 "[ . 1 . 2]" 1
842 1 60 CYS HB2 1 61 LYS H . . 4.080 3.138 2.238 3.869 . 0 0 "[ . 1 . 2]" 1
843 1 60 CYS HB3 1 61 LYS H . . 4.080 4.012 3.572 4.148 0.068 11 0 "[ . 1 . 2]" 1
844 1 61 LYS H 1 61 LYS HB2 . . 3.610 2.400 2.150 3.622 0.012 5 0 "[ . 1 . 2]" 1
845 1 61 LYS H 1 61 LYS QB . . 3.000 2.305 2.124 2.424 . 0 0 "[ . 1 . 2]" 1
846 1 61 LYS H 1 61 LYS HB3 . . 3.610 3.441 2.451 3.658 0.048 19 0 "[ . 1 . 2]" 1
847 1 61 LYS H 1 61 LYS QD . . 4.560 3.935 3.507 4.466 . 0 0 "[ . 1 . 2]" 1
848 1 61 LYS H 1 61 LYS QG . . 4.270 2.964 2.409 3.911 . 0 0 "[ . 1 . 2]" 1
849 1 61 LYS H 1 62 GLN H . . 3.570 2.769 2.449 3.069 . 0 0 "[ . 1 . 2]" 1
850 1 61 LYS H 1 62 GLN QG . . 4.750 4.474 4.124 4.810 0.060 6 0 "[ . 1 . 2]" 1
851 1 61 LYS HA 1 61 LYS QD . . 4.440 4.057 3.444 4.258 . 0 0 "[ . 1 . 2]" 1
852 1 61 LYS HA 1 64 ILE H . . 4.290 3.827 3.297 4.220 . 0 0 "[ . 1 . 2]" 1
853 1 61 LYS HA 1 64 ILE HB . . 4.600 3.767 3.115 4.185 . 0 0 "[ . 1 . 2]" 1
854 1 61 LYS HA 1 64 ILE MD . . 4.040 2.598 2.021 4.106 0.066 7 0 "[ . 1 . 2]" 1
855 1 61 LYS HA 1 64 ILE MG . . 4.790 4.756 4.290 4.871 0.081 19 0 "[ . 1 . 2]" 1
856 1 61 LYS HA 1 83 PHE QE . . 5.500 4.941 4.537 5.561 0.061 20 0 "[ . 1 . 2]" 1
857 1 61 LYS QB 1 63 LEU H . . 5.310 4.584 4.285 5.113 . 0 0 "[ . 1 . 2]" 1
858 1 61 LYS HB2 1 62 GLN H . . 3.850 2.810 2.285 3.914 0.064 5 0 "[ . 1 . 2]" 1
859 1 61 LYS HB3 1 62 GLN H . . 3.850 3.140 2.398 3.749 . 0 0 "[ . 1 . 2]" 1
860 1 61 LYS QD 1 62 GLN H . . 4.830 4.723 4.034 4.911 0.081 9 0 "[ . 1 . 2]" 1
861 1 61 LYS QG 1 62 GLN H . . 4.800 4.146 2.025 4.435 . 0 0 "[ . 1 . 2]" 1
862 1 62 GLN H 1 62 GLN QG . . 3.460 2.295 1.952 2.577 . 0 0 "[ . 1 . 2]" 1
863 1 62 GLN H 1 63 LEU H . . 3.450 2.717 2.605 2.830 . 0 0 "[ . 1 . 2]" 1
864 1 62 GLN H 1 63 LEU QD . . 5.500 5.476 4.984 5.589 0.089 9 0 "[ . 1 . 2]" 1
865 1 62 GLN H 1 64 ILE H . . 4.760 4.369 4.243 4.539 . 0 0 "[ . 1 . 2]" 1
866 1 62 GLN HA 1 64 ILE H . . 4.770 3.975 3.735 4.492 . 0 0 "[ . 1 . 2]" 1
867 1 62 GLN QG 1 63 LEU H . . 4.570 4.128 2.804 4.480 . 0 0 "[ . 1 . 2]" 1
868 1 63 LEU H 1 63 LEU HB2 . . 3.760 2.368 2.175 2.527 . 0 0 "[ . 1 . 2]" 1
869 1 63 LEU H 1 63 LEU QB . . 3.180 2.200 2.155 2.405 . 0 0 "[ . 1 . 2]" 1
870 1 63 LEU H 1 63 LEU HB3 . . 3.760 2.713 2.459 3.652 . 0 0 "[ . 1 . 2]" 1
871 1 63 LEU H 1 63 LEU QD . . 4.120 3.628 3.377 3.768 . 0 0 "[ . 1 . 2]" 1
872 1 63 LEU H 1 64 ILE H . . 3.800 2.768 2.630 2.987 . 0 0 "[ . 1 . 2]" 1
873 1 63 LEU H 1 83 PHE QE . . 5.440 4.613 4.104 5.485 0.045 1 0 "[ . 1 . 2]" 1
874 1 63 LEU HA 1 63 LEU QD . . 3.550 2.212 2.064 3.138 . 0 0 "[ . 1 . 2]" 1
875 1 63 LEU HA 1 110 TRP HH2 . . 4.530 4.368 3.539 4.585 0.055 7 0 "[ . 1 . 2]" 1
876 1 63 LEU QB 1 64 ILE H . . 3.810 2.876 2.630 3.086 . 0 0 "[ . 1 . 2]" 1
877 1 63 LEU QB 1 83 PHE QE . . 3.610 2.682 2.325 3.583 . 0 0 "[ . 1 . 2]" 1
878 1 63 LEU QB 1 83 PHE HZ . . 4.650 3.653 3.002 4.686 0.036 1 0 "[ . 1 . 2]" 1
879 1 63 LEU QD 1 64 ILE H . . 4.250 4.130 3.175 4.320 0.070 17 0 "[ . 1 . 2]" 1
880 1 63 LEU QD 1 64 ILE HA . . 4.890 4.478 2.728 4.973 0.083 7 0 "[ . 1 . 2]" 1
881 1 63 LEU QD 1 66 LEU H . . 4.980 4.210 3.781 4.799 . 0 0 "[ . 1 . 2]" 1
882 1 63 LEU QD 1 67 ALA H . . 4.880 3.949 3.349 4.733 . 0 0 "[ . 1 . 2]" 1
883 1 63 LEU QD 1 83 PHE QD . . 3.480 3.268 2.383 3.584 0.104 14 0 "[ . 1 . 2]" 1
884 1 63 LEU QD 1 83 PHE QE . . 3.100 2.833 2.551 3.051 . 0 0 "[ . 1 . 2]" 1
885 1 63 LEU QD 1 83 PHE HZ . . 4.000 2.872 2.309 3.667 . 0 0 "[ . 1 . 2]" 1
886 1 63 LEU QD 1 110 TRP HH2 . . 4.080 2.948 2.158 3.781 . 0 0 "[ . 1 . 2]" 1
887 1 63 LEU QD 1 110 TRP HZ2 . . 5.070 4.383 3.285 5.142 0.072 12 0 "[ . 1 . 2]" 1
888 1 64 ILE H 1 64 ILE HB . . 3.400 2.405 2.226 2.537 . 0 0 "[ . 1 . 2]" 1
889 1 64 ILE H 1 64 ILE MD . . 4.360 3.427 3.186 3.722 . 0 0 "[ . 1 . 2]" 1
890 1 64 ILE H 1 64 ILE HG12 . . 4.370 3.405 1.959 3.813 . 0 0 "[ . 1 . 2]" 1
891 1 64 ILE H 1 64 ILE HG13 . . 4.370 2.334 1.915 3.358 . 0 0 "[ . 1 . 2]" 1
892 1 64 ILE H 1 64 ILE MG . . 3.870 3.757 3.698 3.803 . 0 0 "[ . 1 . 2]" 1
893 1 64 ILE H 1 65 ALA H . . 3.690 2.673 2.511 2.912 . 0 0 "[ . 1 . 2]" 1
894 1 64 ILE H 1 66 LEU H . . 4.910 4.303 4.001 4.543 . 0 0 "[ . 1 . 2]" 1
895 1 64 ILE H 1 67 ALA MB . . 4.770 4.639 4.470 4.843 0.073 2 0 "[ . 1 . 2]" 1
896 1 64 ILE H 1 83 PHE QD . . 4.140 3.948 3.655 4.207 0.067 1 0 "[ . 1 . 2]" 1
897 1 64 ILE H 1 83 PHE QE . . 4.290 3.481 3.107 3.868 . 0 0 "[ . 1 . 2]" 1
898 1 64 ILE HA 1 64 ILE MD . . 4.120 3.718 2.212 3.926 . 0 0 "[ . 1 . 2]" 1
899 1 64 ILE HA 1 64 ILE HG12 . . 4.230 2.624 2.319 3.122 . 0 0 "[ . 1 . 2]" 1
900 1 64 ILE HA 1 64 ILE HG13 . . 4.230 2.958 2.695 3.916 . 0 0 "[ . 1 . 2]" 1
901 1 64 ILE HA 1 64 ILE MG . . 3.610 2.541 2.438 2.730 . 0 0 "[ . 1 . 2]" 1
902 1 64 ILE HA 1 66 LEU H . . 5.140 4.392 4.120 4.728 . 0 0 "[ . 1 . 2]" 1
903 1 64 ILE HA 1 67 ALA H . . 4.280 3.346 3.100 3.600 . 0 0 "[ . 1 . 2]" 1
904 1 64 ILE HA 1 67 ALA MB . . 3.320 2.498 2.263 2.717 . 0 0 "[ . 1 . 2]" 1
905 1 64 ILE HA 1 68 ALA H . . 4.540 4.045 3.780 4.485 . 0 0 "[ . 1 . 2]" 1
906 1 64 ILE HA 1 83 PHE QD . . 4.520 2.388 2.122 2.646 . 0 0 "[ . 1 . 2]" 1
907 1 64 ILE HA 1 83 PHE QE . . 3.930 3.741 3.302 4.000 0.070 18 0 "[ . 1 . 2]" 1
908 1 64 ILE HB 1 64 ILE MD . . 3.700 2.462 2.193 3.275 . 0 0 "[ . 1 . 2]" 1
909 1 64 ILE HB 1 83 PHE QE . . 4.760 4.689 4.308 4.817 0.057 3 0 "[ . 1 . 2]" 1
910 1 64 ILE MD 1 64 ILE MG . . 3.180 2.092 2.015 2.174 . 0 0 "[ . 1 . 2]" 1
911 1 64 ILE MD 1 83 PHE QD . . 4.500 4.032 2.219 4.584 0.084 14 0 "[ . 1 . 2]" 1
912 1 64 ILE MD 1 83 PHE QE . . 3.740 3.253 2.471 3.770 0.030 2 0 "[ . 1 . 2]" 1
913 1 64 ILE MD 1 83 PHE HZ . . 4.930 4.740 3.840 5.009 0.079 19 0 "[ . 1 . 2]" 1
914 1 64 ILE MD 1 100 PHE QD . . 5.500 5.441 5.000 5.607 0.107 2 0 "[ . 1 . 2]" 1
915 1 64 ILE MD 1 100 PHE QE . . 4.650 4.152 3.448 4.721 0.071 2 0 "[ . 1 . 2]" 1
916 1 64 ILE QG 1 83 PHE QD . . 3.910 2.683 2.166 3.450 . 0 0 "[ . 1 . 2]" 1
917 1 64 ILE QG 1 83 PHE QE . . 4.250 2.206 2.073 2.475 . 0 0 "[ . 1 . 2]" 1
918 1 64 ILE MG 1 65 ALA H . . 3.920 3.512 3.073 3.746 . 0 0 "[ . 1 . 2]" 1
919 1 64 ILE MG 1 65 ALA HA . . 4.050 3.586 3.242 3.818 . 0 0 "[ . 1 . 2]" 1
920 1 64 ILE MG 1 83 PHE QE . . 4.640 4.632 4.370 4.730 0.090 5 0 "[ . 1 . 2]" 1
921 1 64 ILE MG 1 100 PHE QD . . 3.730 3.387 2.647 3.812 0.082 13 0 "[ . 1 . 2]" 1
922 1 64 ILE MG 1 100 PHE QE . . 3.630 3.230 2.378 3.705 0.075 3 0 "[ . 1 . 2]" 1
923 1 65 ALA H 1 65 ALA MB . . 3.150 2.208 2.157 2.251 . 0 0 "[ . 1 . 2]" 1
924 1 65 ALA H 1 66 LEU H . . 3.870 2.725 2.511 2.914 . 0 0 "[ . 1 . 2]" 1
925 1 65 ALA HA 1 100 PHE QD . . 3.710 3.044 2.339 3.464 . 0 0 "[ . 1 . 2]" 1
926 1 65 ALA HA 1 100 PHE QE . . 4.530 4.430 3.871 4.608 0.078 13 0 "[ . 1 . 2]" 1
927 1 65 ALA MB 1 66 LEU H . . 3.610 2.413 2.228 2.576 . 0 0 "[ . 1 . 2]" 1
928 1 65 ALA MB 1 66 LEU HA . . 5.070 3.823 3.706 3.975 . 0 0 "[ . 1 . 2]" 1
929 1 65 ALA MB 1 67 ALA H . . 4.950 4.465 4.295 4.588 . 0 0 "[ . 1 . 2]" 1
930 1 65 ALA MB 1 100 PHE H . . 5.500 4.805 4.083 5.481 . 0 0 "[ . 1 . 2]" 1
931 1 65 ALA MB 1 100 PHE HB2 . . 4.670 3.337 2.219 4.167 . 0 0 "[ . 1 . 2]" 1
932 1 65 ALA MB 1 100 PHE HB3 . . 4.630 2.353 2.068 2.878 . 0 0 "[ . 1 . 2]" 1
933 1 65 ALA MB 1 100 PHE QD . . 3.270 2.680 2.239 2.922 . 0 0 "[ . 1 . 2]" 1
934 1 65 ALA MB 1 100 PHE QE . . 3.670 3.341 2.838 3.764 0.094 7 0 "[ . 1 . 2]" 1
935 1 65 ALA MB 1 106 PHE QD . . 4.400 4.281 3.493 4.496 0.096 12 0 "[ . 1 . 2]" 1
936 1 66 LEU H 1 66 LEU HB2 . . 3.720 2.399 2.119 2.587 . 0 0 "[ . 1 . 2]" 1
937 1 66 LEU H 1 66 LEU QD . . 4.110 2.845 2.554 3.123 . 0 0 "[ . 1 . 2]" 1
938 1 66 LEU H 1 67 ALA H . . 3.760 2.581 2.398 2.784 . 0 0 "[ . 1 . 2]" 1
939 1 66 LEU HA 1 66 LEU QD . . 3.380 2.085 1.987 2.273 . 0 0 "[ . 1 . 2]" 1
940 1 66 LEU HA 1 69 TYR H . . 4.600 3.319 3.022 3.631 . 0 0 "[ . 1 . 2]" 1
941 1 66 LEU HA 1 69 TYR HB2 . . 4.470 3.594 3.296 4.048 . 0 0 "[ . 1 . 2]" 1
942 1 66 LEU HA 1 69 TYR HB3 . . 4.470 2.344 2.064 2.675 . 0 0 "[ . 1 . 2]" 1
943 1 66 LEU HA 1 69 TYR QD . . 3.780 3.790 3.524 3.850 0.070 7 0 "[ . 1 . 2]" 1
944 1 66 LEU HB2 1 67 ALA H . . 4.450 2.865 2.483 3.258 . 0 0 "[ . 1 . 2]" 1
945 1 66 LEU HB2 1 106 PHE QE . . 4.940 4.535 3.710 4.997 0.057 13 0 "[ . 1 . 2]" 1
946 1 66 LEU HB2 1 110 TRP HH2 . . 5.500 4.975 4.230 5.469 . 0 0 "[ . 1 . 2]" 1
947 1 66 LEU HB3 1 69 TYR QD . . 5.080 4.689 4.268 5.093 0.013 15 0 "[ . 1 . 2]" 1
948 1 66 LEU HB3 1 106 PHE HZ . . 5.500 5.554 5.464 5.571 0.071 8 0 "[ . 1 . 2]" 1
949 1 66 LEU QD 1 67 ALA H . . 4.380 4.135 4.036 4.300 . 0 0 "[ . 1 . 2]" 1
950 1 66 LEU QD 1 69 TYR QB . . 4.660 3.303 3.032 3.638 . 0 0 "[ . 1 . 2]" 1
951 1 66 LEU QD 1 69 TYR QD . . 4.130 3.993 3.688 4.236 0.106 4 0 "[ . 1 . 2]" 1
952 1 66 LEU QD 1 100 PHE HB3 . . 5.500 5.341 4.600 5.603 0.103 9 0 "[ . 1 . 2]" 1
953 1 66 LEU QD 1 106 PHE QD . . 3.620 3.514 3.165 3.725 0.105 16 0 "[ . 1 . 2]" 1
954 1 66 LEU QD 1 106 PHE QE . . 3.260 1.977 1.899 2.041 . 0 0 "[ . 1 . 2]" 1
955 1 66 LEU QD 1 106 PHE HZ . . 3.430 2.082 1.969 2.351 . 0 0 "[ . 1 . 2]" 1
956 1 66 LEU QD 1 110 TRP HH2 . . 3.840 2.830 2.225 3.260 . 0 0 "[ . 1 . 2]" 1
957 1 66 LEU QD 1 110 TRP HZ2 . . 3.940 2.067 1.983 2.154 . 0 0 "[ . 1 . 2]" 1
958 1 66 LEU QD 1 110 TRP HZ3 . . 4.910 4.655 4.026 4.995 0.085 3 0 "[ . 1 . 2]" 1
959 1 67 ALA H 1 67 ALA MB . . 3.210 2.223 2.187 2.265 . 0 0 "[ . 1 . 2]" 1
960 1 67 ALA H 1 68 ALA H . . 3.530 2.812 2.670 2.995 . 0 0 "[ . 1 . 2]" 1
961 1 67 ALA H 1 68 ALA MB . . 5.350 4.430 4.311 4.601 . 0 0 "[ . 1 . 2]" 1
962 1 67 ALA H 1 69 TYR H . . 5.030 4.169 4.004 4.371 . 0 0 "[ . 1 . 2]" 1
963 1 67 ALA H 1 83 PHE QD . . 5.190 4.477 4.071 5.085 . 0 0 "[ . 1 . 2]" 1
964 1 67 ALA HA 1 69 TYR H . . 4.960 4.572 4.313 4.772 . 0 0 "[ . 1 . 2]" 1
965 1 67 ALA HA 1 70 HIS H . . 4.210 3.670 3.562 3.903 . 0 0 "[ . 1 . 2]" 1
966 1 67 ALA HA 1 70 HIS HB2 . . 4.800 4.624 4.178 4.849 0.049 8 0 "[ . 1 . 2]" 1
967 1 67 ALA HA 1 70 HIS HB3 . . 3.600 2.979 2.662 3.200 . 0 0 "[ . 1 . 2]" 1
968 1 67 ALA HA 1 70 HIS HD2 . . 4.450 3.584 3.360 3.850 . 0 0 "[ . 1 . 2]" 1
969 1 67 ALA HA 1 71 ALA H . . 4.670 4.045 3.895 4.266 . 0 0 "[ . 1 . 2]" 1
970 1 67 ALA HA 1 81 VAL MG1 . . 4.020 3.261 2.753 3.979 . 0 0 "[ . 1 . 2]" 1
971 1 67 ALA HA 1 83 PHE HB3 . . 4.480 4.388 4.101 4.534 0.054 12 0 "[ . 1 . 2]" 1
972 1 67 ALA HA 1 84 CYS HB3 . . 4.640 3.209 2.625 4.701 0.061 8 0 "[ . 1 . 2]" 1
973 1 67 ALA MB 1 68 ALA H . . 3.450 2.383 2.201 2.521 . 0 0 "[ . 1 . 2]" 1
974 1 67 ALA MB 1 68 ALA HA . . 4.270 3.884 3.806 3.969 . 0 0 "[ . 1 . 2]" 1
975 1 67 ALA MB 1 69 TYR H . . 4.900 4.517 4.367 4.743 . 0 0 "[ . 1 . 2]" 1
976 1 67 ALA MB 1 70 HIS HB3 . . 5.150 4.523 4.237 4.693 . 0 0 "[ . 1 . 2]" 1
977 1 67 ALA MB 1 70 HIS HD2 . . 4.690 4.368 4.059 4.721 0.031 19 0 "[ . 1 . 2]" 1
978 1 67 ALA MB 1 81 VAL MG1 . . 3.680 3.164 2.757 3.692 0.012 13 0 "[ . 1 . 2]" 1
979 1 67 ALA MB 1 83 PHE H . . 5.040 4.157 3.834 4.438 . 0 0 "[ . 1 . 2]" 1
980 1 67 ALA MB 1 83 PHE HB2 . . 3.990 2.419 2.190 2.764 . 0 0 "[ . 1 . 2]" 1
981 1 67 ALA MB 1 83 PHE HB3 . . 3.920 2.086 2.015 2.192 . 0 0 "[ . 1 . 2]" 1
982 1 67 ALA MB 1 83 PHE QD . . 3.060 2.776 2.511 3.119 0.059 3 0 "[ . 1 . 2]" 1
983 1 67 ALA MB 1 84 CYS H . . 4.400 3.125 2.836 3.619 . 0 0 "[ . 1 . 2]" 1
984 1 67 ALA MB 1 84 CYS HA . . 4.520 2.707 2.265 3.170 . 0 0 "[ . 1 . 2]" 1
985 1 67 ALA MB 1 87 ILE MD . . 3.330 2.211 1.924 2.645 . 0 0 "[ . 1 . 2]" 1
986 1 68 ALA H 1 68 ALA MB . . 2.990 2.224 2.183 2.260 . 0 0 "[ . 1 . 2]" 1
987 1 68 ALA H 1 69 TYR H . . 3.680 2.765 2.634 2.894 . 0 0 "[ . 1 . 2]" 1
988 1 68 ALA H 1 69 TYR QB . . 4.770 4.443 4.334 4.563 . 0 0 "[ . 1 . 2]" 1
989 1 68 ALA H 1 83 PHE HB3 . . 5.500 5.391 5.061 5.547 0.047 16 0 "[ . 1 . 2]" 1
990 1 68 ALA H 1 87 ILE MD . . 3.780 3.127 2.694 3.592 . 0 0 "[ . 1 . 2]" 1
991 1 68 ALA HA 1 71 ALA H . . 4.400 3.421 3.113 3.698 . 0 0 "[ . 1 . 2]" 1
992 1 68 ALA HA 1 71 ALA MB . . 3.190 2.525 2.288 2.904 . 0 0 "[ . 1 . 2]" 1
993 1 68 ALA HA 1 87 ILE MD . . 3.330 2.484 1.959 3.393 0.063 2 0 "[ . 1 . 2]" 1
994 1 68 ALA HA 1 87 ILE MG . . 3.260 3.000 2.535 3.312 0.052 16 0 "[ . 1 . 2]" 1
995 1 68 ALA MB 1 69 TYR H . . 3.730 2.556 2.338 2.759 . 0 0 "[ . 1 . 2]" 1
996 1 68 ALA MB 1 69 TYR HA . . 4.550 3.892 3.790 3.988 . 0 0 "[ . 1 . 2]" 1
997 1 68 ALA MB 1 69 TYR HB2 . . 5.500 4.199 3.991 4.386 . 0 0 "[ . 1 . 2]" 1
998 1 68 ALA MB 1 69 TYR HB3 . . 5.500 4.449 4.206 4.608 . 0 0 "[ . 1 . 2]" 1
999 1 69 TYR H 1 69 TYR HB2 . . 3.560 2.714 2.583 2.828 . 0 0 "[ . 1 . 2]" 1
1000 1 69 TYR H 1 69 TYR HB3 . . 3.560 2.296 2.220 2.370 . 0 0 "[ . 1 . 2]" 1
1001 1 69 TYR H 1 69 TYR QD . . 4.110 4.073 4.022 4.151 0.041 19 0 "[ . 1 . 2]" 1
1002 1 69 TYR H 1 70 HIS H . . 3.770 2.766 2.627 2.883 . 0 0 "[ . 1 . 2]" 1
1003 1 69 TYR H 1 70 HIS HA . . 5.340 5.354 5.258 5.402 0.062 13 0 "[ . 1 . 2]" 1
1004 1 69 TYR H 1 70 HIS HB3 . . 4.880 4.619 4.401 4.813 . 0 0 "[ . 1 . 2]" 1
1005 1 69 TYR H 1 87 ILE MD . . 5.500 4.943 4.474 5.561 0.061 19 0 "[ . 1 . 2]" 1
1006 1 69 TYR HA 1 69 TYR QD . . 3.290 3.220 3.053 3.362 0.072 12 0 "[ . 1 . 2]" 1
1007 1 69 TYR HA 1 72 LYS H . . 4.640 3.858 3.544 4.187 . 0 0 "[ . 1 . 2]" 1
1008 1 69 TYR HA 1 72 LYS QE . . 4.590 2.655 2.040 4.650 0.060 10 0 "[ . 1 . 2]" 1
1009 1 69 TYR HA 1 72 LYS HG2 . . 5.500 3.886 2.384 4.395 . 0 0 "[ . 1 . 2]" 1
1010 1 69 TYR HA 1 72 LYS QG . . 4.790 3.791 2.358 4.231 . 0 0 "[ . 1 . 2]" 1
1011 1 69 TYR HA 1 72 LYS HG3 . . 5.500 5.329 3.732 5.565 0.065 4 0 "[ . 1 . 2]" 1
1012 1 69 TYR HB2 1 70 HIS H . . 4.490 4.063 3.906 4.152 . 0 0 "[ . 1 . 2]" 1
1013 1 69 TYR HB3 1 70 HIS H . . 4.490 2.727 2.503 2.863 . 0 0 "[ . 1 . 2]" 1
1014 1 69 TYR QD 1 70 HIS H . . 3.620 2.761 2.536 3.093 . 0 0 "[ . 1 . 2]" 1
1015 1 69 TYR QD 1 70 HIS HA . . 3.630 2.977 2.721 3.183 . 0 0 "[ . 1 . 2]" 1
1016 1 69 TYR QD 1 70 HIS HB3 . . 4.280 3.713 3.457 3.875 . 0 0 "[ . 1 . 2]" 1
1017 1 69 TYR QD 1 71 ALA H . . 5.150 5.067 4.939 5.208 0.058 6 0 "[ . 1 . 2]" 1
1018 1 69 TYR QD 1 72 LYS QE . . 4.290 3.565 2.857 4.366 0.076 2 0 "[ . 1 . 2]" 1
1019 1 69 TYR QE 1 70 HIS HA . . 4.250 3.751 3.480 4.010 . 0 0 "[ . 1 . 2]" 1
1020 1 69 TYR QE 1 70 HIS HB2 . . 4.090 4.128 3.896 4.166 0.076 2 0 "[ . 1 . 2]" 1
1021 1 69 TYR QE 1 72 LYS QE . . 5.320 4.235 3.185 5.394 0.074 2 0 "[ . 1 . 2]" 1
1022 1 69 TYR QE 1 73 HIS HE1 . . 4.370 3.851 3.129 4.434 0.064 12 0 "[ . 1 . 2]" 1
1023 1 70 HIS H 1 70 HIS HB2 . . 3.480 2.944 2.699 3.108 . 0 0 "[ . 1 . 2]" 1
1024 1 70 HIS H 1 70 HIS HB3 . . 3.530 2.105 2.031 2.180 . 0 0 "[ . 1 . 2]" 1
1025 1 70 HIS H 1 71 ALA H . . 3.950 2.659 2.453 2.857 . 0 0 "[ . 1 . 2]" 1
1026 1 70 HIS H 1 73 HIS H . . 5.470 5.518 5.375 5.551 0.081 10 0 "[ . 1 . 2]" 1
1027 1 70 HIS HA 1 71 ALA HA . . 5.030 4.830 4.746 4.895 . 0 0 "[ . 1 . 2]" 1
1028 1 70 HIS HA 1 72 LYS H . . 4.890 3.948 3.704 4.261 . 0 0 "[ . 1 . 2]" 1
1029 1 70 HIS HA 1 73 HIS H . . 4.680 3.710 3.550 3.907 . 0 0 "[ . 1 . 2]" 1
1030 1 70 HIS HA 1 74 CYS H . . 5.140 4.386 4.016 5.010 . 0 0 "[ . 1 . 2]" 1
1031 1 70 HIS HB2 1 71 ALA H . . 4.320 4.261 4.119 4.373 0.053 18 0 "[ . 1 . 2]" 1
1032 1 70 HIS HB3 1 71 ALA H . . 4.060 3.080 2.859 3.266 . 0 0 "[ . 1 . 2]" 1
1033 1 70 HIS HB3 1 71 ALA MB . . 5.230 4.565 4.336 4.756 . 0 0 "[ . 1 . 2]" 1
1034 1 70 HIS HD2 1 71 ALA H . . 4.260 2.855 2.578 3.068 . 0 0 "[ . 1 . 2]" 1
1035 1 70 HIS HD2 1 71 ALA HA . . 4.150 3.151 2.891 3.397 . 0 0 "[ . 1 . 2]" 1
1036 1 70 HIS HD2 1 71 ALA MB . . 3.930 3.261 2.864 3.475 . 0 0 "[ . 1 . 2]" 1
1037 1 70 HIS HD2 1 81 VAL MG2 . . 4.630 4.043 3.611 4.710 0.080 5 0 "[ . 1 . 2]" 1
1038 1 70 HIS HD2 1 84 CYS H . . 4.760 4.552 4.376 4.811 0.051 5 0 "[ . 1 . 2]" 1
1039 1 70 HIS HD2 1 84 CYS HA . . 4.710 4.139 3.760 4.462 . 0 0 "[ . 1 . 2]" 1
1040 1 70 HIS HD2 1 84 CYS HB2 . . 4.130 2.308 2.016 2.569 . 0 0 "[ . 1 . 2]" 1
1041 1 70 HIS HD2 1 84 CYS HB3 . . 4.500 2.335 2.027 3.505 . 0 0 "[ . 1 . 2]" 1
1042 1 70 HIS HE1 1 74 CYS HA . . 5.170 5.104 4.894 5.223 0.053 19 0 "[ . 1 . 2]" 1
1043 1 70 HIS HE1 1 74 CYS HB2 . . 3.150 3.198 3.101 3.212 0.062 12 0 "[ . 1 . 2]" 1
1044 1 70 HIS HE1 1 74 CYS HB3 . . 3.980 3.973 3.685 4.043 0.063 4 0 "[ . 1 . 2]" 1
1045 1 70 HIS HE1 1 81 VAL HB . . 4.290 4.332 4.092 4.358 0.068 5 0 "[ . 1 . 2]" 1
1046 1 70 HIS HE1 1 81 VAL MG2 . . 3.060 3.005 2.493 3.135 0.075 13 0 "[ . 1 . 2]" 1
1047 1 71 ALA H 1 71 ALA MB . . 3.230 2.220 2.189 2.249 . 0 0 "[ . 1 . 2]" 1
1048 1 71 ALA H 1 72 LYS H . . 3.930 2.911 2.737 3.072 . 0 0 "[ . 1 . 2]" 1
1049 1 71 ALA H 1 87 ILE MG . . 5.130 4.579 4.372 4.815 . 0 0 "[ . 1 . 2]" 1
1050 1 71 ALA HA 1 74 CYS H . . 3.790 2.948 2.744 3.074 . 0 0 "[ . 1 . 2]" 1
1051 1 71 ALA HA 1 74 CYS HB2 . . 3.720 3.711 3.266 3.785 0.065 11 0 "[ . 1 . 2]" 1
1052 1 71 ALA HA 1 74 CYS HB3 . . 3.690 2.468 2.247 2.914 . 0 0 "[ . 1 . 2]" 1
1053 1 71 ALA HA 1 87 ILE HB . . 5.170 5.030 4.619 5.226 0.056 7 0 "[ . 1 . 2]" 1
1054 1 71 ALA MB 1 72 LYS H . . 3.090 2.941 2.697 3.128 0.038 17 0 "[ . 1 . 2]" 1
1055 1 71 ALA MB 1 72 LYS HA . . 3.850 3.897 3.838 3.920 0.070 13 0 "[ . 1 . 2]" 1
1056 1 71 ALA MB 1 73 HIS H . . 4.510 4.354 4.210 4.469 . 0 0 "[ . 1 . 2]" 1
1057 1 71 ALA MB 1 74 CYS H . . 4.340 4.344 4.152 4.432 0.092 4 0 "[ . 1 . 2]" 1
1058 1 71 ALA MB 1 84 CYS HA . . 3.770 3.153 2.694 3.584 . 0 0 "[ . 1 . 2]" 1
1059 1 71 ALA MB 1 87 ILE H . . 4.770 4.585 4.289 4.821 0.051 9 0 "[ . 1 . 2]" 1
1060 1 71 ALA MB 1 87 ILE HB . . 3.260 2.693 2.346 2.918 . 0 0 "[ . 1 . 2]" 1
1061 1 71 ALA MB 1 87 ILE MG . . 3.050 2.193 2.033 2.326 . 0 0 "[ . 1 . 2]" 1
1062 1 72 LYS H 1 72 LYS QB . . 3.550 2.411 2.207 2.701 . 0 0 "[ . 1 . 2]" 1
1063 1 72 LYS H 1 72 LYS HG2 . . 4.380 2.745 2.289 3.078 . 0 0 "[ . 1 . 2]" 1
1064 1 72 LYS H 1 72 LYS QG . . 3.760 2.684 2.259 3.001 . 0 0 "[ . 1 . 2]" 1
1065 1 72 LYS H 1 72 LYS HG3 . . 4.380 3.829 2.742 4.202 . 0 0 "[ . 1 . 2]" 1
1066 1 72 LYS H 1 87 ILE MG . . 5.260 5.133 4.737 5.339 0.079 7 0 "[ . 1 . 2]" 1
1067 1 72 LYS HA 1 72 LYS QE . . 4.870 4.538 4.269 4.925 0.055 14 0 "[ . 1 . 2]" 1
1068 1 72 LYS HA 1 72 LYS HG2 . . 3.950 3.830 3.696 3.963 0.013 2 0 "[ . 1 . 2]" 1
1069 1 72 LYS HA 1 72 LYS HG3 . . 3.950 3.651 3.515 3.727 . 0 0 "[ . 1 . 2]" 1
1070 1 72 LYS HA 1 87 ILE MG . . 5.500 5.416 4.920 5.582 0.082 11 0 "[ . 1 . 2]" 1
1071 1 72 LYS QB 1 73 HIS H . . 3.950 3.786 3.636 3.943 . 0 0 "[ . 1 . 2]" 1
1072 1 72 LYS QB 1 73 HIS HD2 . . 4.630 4.548 4.027 4.701 0.071 13 0 "[ . 1 . 2]" 1
1073 1 72 LYS QD 1 73 HIS HD2 . . 4.520 4.058 3.159 4.564 0.044 9 0 "[ . 1 . 2]" 1
1074 1 72 LYS QD 1 73 HIS HE1 . . 3.690 3.190 2.581 3.762 0.072 19 0 "[ . 1 . 2]" 1
1075 1 72 LYS QE 1 73 HIS HE1 . . 4.710 4.214 2.920 4.781 0.071 15 0 "[ . 1 . 2]" 1
1076 1 72 LYS QG 1 73 HIS HD2 . . 4.050 2.824 2.109 3.240 . 0 0 "[ . 1 . 2]" 1
1077 1 72 LYS QG 1 73 HIS HE1 . . 4.200 3.539 3.100 4.101 . 0 0 "[ . 1 . 2]" 1
1078 1 72 LYS HG2 1 73 HIS H . . 5.020 3.088 2.549 4.077 . 0 0 "[ . 1 . 2]" 1
1079 1 72 LYS HG2 1 73 HIS HD2 . . 4.890 3.994 2.555 4.951 0.061 2 0 "[ . 1 . 2]" 1
1080 1 72 LYS HG2 1 73 HIS HE1 . . 4.950 3.947 3.244 4.669 . 0 0 "[ . 1 . 2]" 1
1081 1 72 LYS HG3 1 73 HIS H . . 5.020 3.520 2.940 4.018 . 0 0 "[ . 1 . 2]" 1
1082 1 72 LYS HG3 1 73 HIS HD2 . . 4.890 2.941 2.172 3.602 . 0 0 "[ . 1 . 2]" 1
1083 1 72 LYS HG3 1 73 HIS HE1 . . 4.950 4.085 3.586 4.929 . 0 0 "[ . 1 . 2]" 1
1084 1 73 HIS H 1 73 HIS HB2 . . 3.970 2.637 2.489 2.846 . 0 0 "[ . 1 . 2]" 1
1085 1 73 HIS H 1 73 HIS HB3 . . 3.740 3.743 3.630 3.798 0.058 10 0 "[ . 1 . 2]" 1
1086 1 73 HIS H 1 74 CYS HA . . 5.030 4.742 4.576 4.935 . 0 0 "[ . 1 . 2]" 1
1087 1 73 HIS H 1 74 CYS HB2 . . 4.390 4.112 3.836 4.328 . 0 0 "[ . 1 . 2]" 1
1088 1 73 HIS HB2 1 73 HIS HE1 . . 4.840 4.807 4.708 4.918 0.078 14 0 "[ . 1 . 2]" 1
1089 1 73 HIS HB2 1 74 CYS H . . 4.640 3.042 2.414 3.854 . 0 0 "[ . 1 . 2]" 1
1090 1 73 HIS HB2 1 74 CYS HB3 . . 5.500 5.002 4.589 5.431 . 0 0 "[ . 1 . 2]" 1
1091 1 73 HIS HB3 1 73 HIS HD2 . . 3.660 3.218 2.930 3.724 0.064 14 0 "[ . 1 . 2]" 1
1092 1 73 HIS HB3 1 74 CYS H . . 4.490 4.036 3.647 4.534 0.044 14 0 "[ . 1 . 2]" 1
1093 1 74 CYS H 1 74 CYS HB2 . . 3.220 2.610 2.181 3.218 . 0 0 "[ . 1 . 2]" 1
1094 1 74 CYS H 1 74 CYS HB3 . . 3.180 2.687 2.477 2.997 . 0 0 "[ . 1 . 2]" 1
1095 1 74 CYS H 1 75 GLN H . . 4.570 4.106 3.772 4.366 . 0 0 "[ . 1 . 2]" 1
1096 1 74 CYS HA 1 75 GLN H . . 2.980 2.160 2.066 2.213 . 0 0 "[ . 1 . 2]" 1
1097 1 74 CYS HA 1 75 GLN QG . . 4.590 3.961 3.642 4.659 0.069 2 0 "[ . 1 . 2]" 1
1098 1 74 CYS HA 1 76 GLU H . . 4.970 4.793 4.565 5.029 0.059 10 0 "[ . 1 . 2]" 1
1099 1 74 CYS HA 1 76 GLU HG2 . . 5.240 3.912 3.748 4.174 . 0 0 "[ . 1 . 2]" 1
1100 1 74 CYS HA 1 76 GLU HG3 . . 5.500 5.551 5.510 5.564 0.064 1 0 "[ . 1 . 2]" 1
1101 1 75 GLN H 1 75 GLN QB . . 3.700 3.091 2.655 3.364 . 0 0 "[ . 1 . 2]" 1
1102 1 75 GLN H 1 75 GLN QG . . 3.870 2.719 2.234 3.296 . 0 0 "[ . 1 . 2]" 1
1103 1 75 GLN H 1 76 GLU H . . 3.760 3.506 3.313 3.624 . 0 0 "[ . 1 . 2]" 1
1104 1 75 GLN H 1 76 GLU HG2 . . 5.300 3.533 3.176 3.936 . 0 0 "[ . 1 . 2]" 1
1105 1 75 GLN H 1 76 GLU HG3 . . 5.330 5.057 4.889 5.275 . 0 0 "[ . 1 . 2]" 1
1106 1 76 GLU H 1 76 GLU HG2 . . 3.490 2.570 2.164 3.154 . 0 0 "[ . 1 . 2]" 1
1107 1 76 GLU H 1 76 GLU HG3 . . 4.080 2.822 2.489 3.367 . 0 0 "[ . 1 . 2]" 1
1108 1 76 GLU H 1 77 ASN H . . 4.690 4.393 4.297 4.474 . 0 0 "[ . 1 . 2]" 1
1109 1 76 GLU H 1 79 CYS HB2 . . 4.570 4.571 4.183 4.644 0.074 5 0 "[ . 1 . 2]" 1
1110 1 76 GLU H 1 79 CYS HB3 . . 5.500 5.397 5.114 5.560 0.060 14 0 "[ . 1 . 2]" 1
1111 1 76 GLU HA 1 76 GLU HG2 . . 3.940 3.769 3.606 3.974 0.034 16 0 "[ . 1 . 2]" 1
1112 1 76 GLU HA 1 76 GLU HG3 . . 4.160 3.832 3.642 4.066 . 0 0 "[ . 1 . 2]" 1
1113 1 76 GLU HA 1 77 ASN H . . 3.320 2.486 2.341 2.716 . 0 0 "[ . 1 . 2]" 1
1114 1 76 GLU HA 1 77 ASN QB . . 5.000 4.526 4.216 4.813 . 0 0 "[ . 1 . 2]" 1
1115 1 76 GLU HB2 1 77 ASN H . . 4.860 2.287 1.930 2.637 . 0 0 "[ . 1 . 2]" 1
1116 1 76 GLU HB2 1 79 CYS H . . 4.840 4.885 4.641 4.904 0.064 20 0 "[ . 1 . 2]" 1
1117 1 76 GLU HB3 1 79 CYS HA . . 5.440 5.037 4.698 5.261 . 0 0 "[ . 1 . 2]" 1
1118 1 76 GLU HG2 1 78 LYS H . . 5.250 4.771 4.239 5.125 . 0 0 "[ . 1 . 2]" 1
1119 1 76 GLU HG2 1 79 CYS H . . 5.160 4.540 3.920 4.898 . 0 0 "[ . 1 . 2]" 1
1120 1 76 GLU HG2 1 79 CYS HA . . 4.260 3.027 2.550 3.447 . 0 0 "[ . 1 . 2]" 1
1121 1 76 GLU HG2 1 79 CYS HB2 . . 5.170 5.014 4.598 5.221 0.051 8 0 "[ . 1 . 2]" 1
1122 1 76 GLU HG3 1 78 LYS H . . 4.210 3.235 2.811 3.549 . 0 0 "[ . 1 . 2]" 1
1123 1 76 GLU HG3 1 79 CYS H . . 4.630 3.098 2.496 3.726 . 0 0 "[ . 1 . 2]" 1
1124 1 76 GLU HG3 1 79 CYS HA . . 4.320 2.256 2.036 2.757 . 0 0 "[ . 1 . 2]" 1
1125 1 76 GLU HG3 1 79 CYS HB2 . . 4.770 4.158 3.825 4.596 . 0 0 "[ . 1 . 2]" 1
1126 1 77 ASN H 1 77 ASN QB . . 3.830 2.382 2.204 2.734 . 0 0 "[ . 1 . 2]" 1
1127 1 77 ASN H 1 78 LYS H . . 4.290 2.734 2.485 2.929 . 0 0 "[ . 1 . 2]" 1
1128 1 77 ASN HA 1 79 CYS H . . 5.270 4.850 4.399 5.256 . 0 0 "[ . 1 . 2]" 1
1129 1 77 ASN QB 1 78 LYS H . . 3.850 2.895 2.187 3.796 . 0 0 "[ . 1 . 2]" 1
1130 1 77 ASN QB 1 78 LYS HA . . 4.690 4.441 4.162 4.757 0.067 20 0 "[ . 1 . 2]" 1
1131 1 77 ASN QB 1 79 CYS H . . 5.500 5.363 5.094 5.556 0.056 5 0 "[ . 1 . 2]" 1
1132 1 78 LYS H 1 78 LYS QB . . 3.810 2.636 2.361 3.188 . 0 0 "[ . 1 . 2]" 1
1133 1 78 LYS H 1 78 LYS QG . . 4.220 3.648 2.508 4.286 0.066 17 0 "[ . 1 . 2]" 1
1134 1 78 LYS H 1 79 CYS H . . 3.800 3.387 3.147 3.603 . 0 0 "[ . 1 . 2]" 1
1135 1 78 LYS H 1 85 LEU QD . . 5.410 4.853 4.396 5.476 0.066 15 0 "[ . 1 . 2]" 1
1136 1 78 LYS HA 1 78 LYS QD . . 3.680 3.140 2.095 3.771 0.091 3 0 "[ . 1 . 2]" 1
1137 1 78 LYS HA 1 79 CYS H . . 3.520 2.391 2.273 2.523 . 0 0 "[ . 1 . 2]" 1
1138 1 78 LYS HA 1 85 LEU QD . . 3.670 2.808 2.189 3.474 . 0 0 "[ . 1 . 2]" 1
1139 1 79 CYS H 1 79 CYS HB2 . . 3.410 2.163 2.063 2.331 . 0 0 "[ . 1 . 2]" 1
1140 1 79 CYS H 1 79 CYS HB3 . . 3.440 3.431 3.308 3.499 0.059 17 0 "[ . 1 . 2]" 1
1141 1 79 CYS H 1 85 LEU QD . . 3.790 2.570 2.141 3.257 . 0 0 "[ . 1 . 2]" 1
1142 1 79 CYS HA 1 80 PRO QB . . 5.230 4.622 4.440 4.710 . 0 0 "[ . 1 . 2]" 1
1143 1 79 CYS HA 1 80 PRO QD . . 3.200 2.064 2.011 2.162 . 0 0 "[ . 1 . 2]" 1
1144 1 79 CYS HA 1 80 PRO QG . . 4.520 4.001 3.933 4.122 . 0 0 "[ . 1 . 2]" 1
1145 1 79 CYS HA 1 81 VAL H . . 4.450 4.370 4.086 4.501 0.051 4 0 "[ . 1 . 2]" 1
1146 1 79 CYS HA 1 85 LEU QD . . 5.200 4.221 3.865 4.804 . 0 0 "[ . 1 . 2]" 1
1147 1 79 CYS HB2 1 81 VAL H . . 5.310 4.933 4.468 5.354 0.044 7 0 "[ . 1 . 2]" 1
1148 1 80 PRO QB 1 81 VAL H . . 4.000 3.284 2.897 3.704 . 0 0 "[ . 1 . 2]" 1
1149 1 80 PRO QD 1 81 VAL H . . 3.790 2.893 2.690 3.212 . 0 0 "[ . 1 . 2]" 1
1150 1 80 PRO HD2 1 81 VAL H . . 4.500 2.958 2.738 3.306 . 0 0 "[ . 1 . 2]" 1
1151 1 80 PRO HD3 1 81 VAL H . . 4.500 4.100 3.926 4.363 . 0 0 "[ . 1 . 2]" 1
1152 1 80 PRO QG 1 81 VAL H . . 4.270 2.410 2.022 3.095 . 0 0 "[ . 1 . 2]" 1
1153 1 80 PRO QG 1 81 VAL HA . . 4.900 4.398 4.164 4.694 . 0 0 "[ . 1 . 2]" 1
1154 1 80 PRO QG 1 81 VAL MG2 . . 4.030 2.532 2.388 2.749 . 0 0 "[ . 1 . 2]" 1
1155 1 81 VAL H 1 81 VAL HB . . 3.130 2.415 2.317 2.579 . 0 0 "[ . 1 . 2]" 1
1156 1 81 VAL H 1 81 VAL MG1 . . 3.940 3.766 3.717 3.856 . 0 0 "[ . 1 . 2]" 1
1157 1 81 VAL H 1 81 VAL MG2 . . 3.150 2.326 2.061 2.667 . 0 0 "[ . 1 . 2]" 1
1158 1 81 VAL H 1 84 CYS HB3 . . 4.740 4.608 3.510 4.803 0.063 6 0 "[ . 1 . 2]" 1
1159 1 81 VAL HA 1 81 VAL MG1 . . 3.730 2.484 2.392 2.555 . 0 0 "[ . 1 . 2]" 1
1160 1 81 VAL HA 1 81 VAL MG2 . . 3.320 2.321 2.217 2.467 . 0 0 "[ . 1 . 2]" 1
1161 1 81 VAL HB 1 84 CYS H . . 4.460 2.890 2.321 3.328 . 0 0 "[ . 1 . 2]" 1
1162 1 81 VAL HB 1 84 CYS HA . . 4.950 4.878 4.429 5.006 0.056 7 0 "[ . 1 . 2]" 1
1163 1 81 VAL HB 1 84 CYS HB2 . . 4.140 3.972 2.405 4.202 0.062 13 0 "[ . 1 . 2]" 1
1164 1 81 VAL HB 1 84 CYS HB3 . . 4.100 2.752 2.089 3.013 . 0 0 "[ . 1 . 2]" 1
1165 1 81 VAL HB 1 85 LEU H . . 5.110 4.137 3.901 4.306 . 0 0 "[ . 1 . 2]" 1
1166 1 81 VAL MG1 1 84 CYS H . . 4.200 2.133 1.774 2.598 . 0 0 "[ . 1 . 2]" 1
1167 1 81 VAL MG2 1 85 LEU H . . 5.500 5.427 5.224 5.575 0.075 17 0 "[ . 1 . 2]" 1
1168 1 82 PRO QB 1 83 PHE QD . . 3.380 3.299 3.030 3.459 0.079 18 0 "[ . 1 . 2]" 1
1169 1 83 PHE H 1 83 PHE QD . . 3.610 2.678 2.360 2.975 . 0 0 "[ . 1 . 2]" 1
1170 1 83 PHE H 1 83 PHE QE . . 4.930 4.933 4.699 5.005 0.075 1 0 "[ . 1 . 2]" 1
1171 1 83 PHE H 1 84 CYS H . . 3.930 2.589 2.393 2.824 . 0 0 "[ . 1 . 2]" 1
1172 1 83 PHE HA 1 83 PHE QD . . 3.090 2.790 2.291 3.141 0.051 3 0 "[ . 1 . 2]" 1
1173 1 83 PHE HA 1 85 LEU H . . 5.270 4.375 4.233 4.624 . 0 0 "[ . 1 . 2]" 1
1174 1 83 PHE HA 1 86 ASN H . . 4.040 3.589 3.195 3.870 . 0 0 "[ . 1 . 2]" 1
1175 1 83 PHE HB2 1 84 CYS H . . 4.560 2.883 2.572 3.189 . 0 0 "[ . 1 . 2]" 1
1176 1 83 PHE HB3 1 86 ASN H . . 5.500 5.101 4.937 5.341 . 0 0 "[ . 1 . 2]" 1
1177 1 83 PHE HB3 1 86 ASN QB . . 5.500 4.586 3.976 4.948 . 0 0 "[ . 1 . 2]" 1
1178 1 83 PHE HB3 1 87 ILE MD . . 4.350 3.625 3.293 4.014 . 0 0 "[ . 1 . 2]" 1
1179 1 84 CYS H 1 84 CYS HB2 . . 3.680 3.476 2.550 3.651 . 0 0 "[ . 1 . 2]" 1
1180 1 84 CYS H 1 84 CYS HB3 . . 3.490 2.393 2.220 2.514 . 0 0 "[ . 1 . 2]" 1
1181 1 84 CYS H 1 85 LEU H . . 3.650 2.527 2.366 2.669 . 0 0 "[ . 1 . 2]" 1
1182 1 84 CYS HA 1 87 ILE H . . 4.430 3.031 2.782 3.332 . 0 0 "[ . 1 . 2]" 1
1183 1 84 CYS HA 1 87 ILE HA . . 5.380 5.145 4.776 5.444 0.064 18 0 "[ . 1 . 2]" 1
1184 1 84 CYS HA 1 87 ILE HB . . 4.170 2.728 2.273 3.310 . 0 0 "[ . 1 . 2]" 1
1185 1 84 CYS HA 1 87 ILE MD . . 4.160 2.248 2.022 3.717 . 0 0 "[ . 1 . 2]" 1
1186 1 84 CYS HA 1 87 ILE QG . . 4.780 3.281 2.068 4.197 . 0 0 "[ . 1 . 2]" 1
1187 1 84 CYS HA 1 88 LYS H . . 4.950 4.275 3.963 4.776 . 0 0 "[ . 1 . 2]" 1
1188 1 84 CYS HB2 1 85 LEU H . . 4.370 3.990 3.709 4.296 . 0 0 "[ . 1 . 2]" 1
1189 1 84 CYS HB3 1 85 LEU H . . 3.910 3.738 2.509 3.945 0.035 16 0 "[ . 1 . 2]" 1
1190 1 84 CYS HB3 1 85 LEU QB . . 5.460 5.384 4.083 5.534 0.074 14 0 "[ . 1 . 2]" 1
1191 1 84 CYS HB3 1 86 ASN H . . 5.500 5.490 4.923 5.566 0.066 6 0 "[ . 1 . 2]" 1
1192 1 84 CYS HB3 1 87 ILE HB . . 5.490 4.902 4.409 5.508 0.018 17 0 "[ . 1 . 2]" 1
1193 1 85 LEU H 1 85 LEU QB . . 3.190 2.206 2.124 2.659 . 0 0 "[ . 1 . 2]" 1
1194 1 85 LEU H 1 85 LEU QD . . 4.120 3.653 3.017 3.765 . 0 0 "[ . 1 . 2]" 1
1195 1 85 LEU H 1 85 LEU HG . . 4.650 4.357 2.051 4.538 . 0 0 "[ . 1 . 2]" 1
1196 1 85 LEU H 1 86 ASN H . . 3.450 2.772 2.606 2.882 . 0 0 "[ . 1 . 2]" 1
1197 1 85 LEU H 1 87 ILE H . . 4.540 4.274 3.988 4.572 0.032 19 0 "[ . 1 . 2]" 1
1198 1 85 LEU H 1 88 LYS H . . 5.400 4.942 4.725 5.361 . 0 0 "[ . 1 . 2]" 1
1199 1 85 LEU QB 1 86 ASN H . . 3.500 2.787 2.451 3.031 . 0 0 "[ . 1 . 2]" 1
1200 1 85 LEU QD 1 86 ASN H . . 4.420 3.954 3.081 4.261 . 0 0 "[ . 1 . 2]" 1
1201 1 85 LEU QD 1 86 ASN HA . . 5.130 4.281 2.964 5.195 0.065 17 0 "[ . 1 . 2]" 1
1202 1 85 LEU QD 1 89 GLN QG . . 4.160 3.637 2.076 4.251 0.091 9 0 "[ . 1 . 2]" 1
1203 1 85 LEU HG 1 86 ASN H . . 4.150 4.106 3.784 4.218 0.068 6 0 "[ . 1 . 2]" 1
1204 1 86 ASN H 1 86 ASN QB . . 3.100 2.424 2.180 2.580 . 0 0 "[ . 1 . 2]" 1
1205 1 86 ASN H 1 87 ILE H . . 3.440 2.551 2.339 2.713 . 0 0 "[ . 1 . 2]" 1
1206 1 86 ASN H 1 87 ILE HB . . 4.950 4.680 4.482 4.978 0.028 5 0 "[ . 1 . 2]" 1
1207 1 86 ASN H 1 87 ILE MD . . 4.940 4.424 3.338 5.013 0.073 9 0 "[ . 1 . 2]" 1
1208 1 86 ASN H 1 88 LYS H . . 4.370 4.151 3.808 4.420 0.050 17 0 "[ . 1 . 2]" 1
1209 1 86 ASN HA 1 88 LYS H . . 5.170 4.501 4.233 4.982 . 0 0 "[ . 1 . 2]" 1
1210 1 86 ASN HA 1 89 GLN H . . 4.160 3.617 3.371 3.875 . 0 0 "[ . 1 . 2]" 1
1211 1 86 ASN HA 1 89 GLN QG . . 4.400 3.179 2.046 4.456 0.056 19 0 "[ . 1 . 2]" 1
1212 1 86 ASN QB 1 87 ILE H . . 3.920 2.681 2.339 3.019 . 0 0 "[ . 1 . 2]" 1
1213 1 87 ILE H 1 87 ILE HB . . 3.740 2.460 2.282 2.618 . 0 0 "[ . 1 . 2]" 1
1214 1 87 ILE H 1 87 ILE MG . . 4.220 3.782 3.718 3.845 . 0 0 "[ . 1 . 2]" 1
1215 1 87 ILE HA 1 87 ILE MD . . 3.930 3.528 2.229 3.893 . 0 0 "[ . 1 . 2]" 1
1216 1 87 ILE HA 1 87 ILE MG . . 3.350 2.529 2.374 2.647 . 0 0 "[ . 1 . 2]" 1
1217 1 87 ILE HA 1 88 LYS HA . . 5.500 4.829 4.686 4.929 . 0 0 "[ . 1 . 2]" 1
1218 1 87 ILE HA 1 89 GLN H . . 4.850 4.458 3.904 4.910 0.060 3 0 "[ . 1 . 2]" 1
1219 1 87 ILE HA 1 90 LYS H . . 4.520 3.558 2.962 4.265 . 0 0 "[ . 1 . 2]" 1
1220 1 87 ILE HA 1 90 LYS QB . . 4.530 3.075 2.403 4.595 0.065 9 0 "[ . 1 . 2]" 1
1221 1 87 ILE HA 1 91 GLY H . . 4.920 4.345 3.572 4.970 0.050 19 0 "[ . 1 . 2]" 1
1222 1 87 ILE HB 1 87 ILE MD . . 3.500 2.393 2.197 3.286 . 0 0 "[ . 1 . 2]" 1
1223 1 87 ILE HB 1 88 LYS H . . 4.130 2.761 2.344 3.095 . 0 0 "[ . 1 . 2]" 1
1224 1 87 ILE MG 1 88 LYS H . . 3.980 3.357 3.014 3.636 . 0 0 "[ . 1 . 2]" 1
1225 1 87 ILE MG 1 88 LYS HA . . 4.270 3.450 3.120 3.682 . 0 0 "[ . 1 . 2]" 1
1226 1 87 ILE MG 1 91 GLY H . . 4.940 4.076 3.357 4.985 0.045 18 0 "[ . 1 . 2]" 1
1227 1 88 LYS H 1 88 LYS QD . . 4.590 4.236 2.454 4.664 0.074 2 0 "[ . 1 . 2]" 1
1228 1 88 LYS H 1 89 GLN H . . 3.570 2.869 2.555 3.102 . 0 0 "[ . 1 . 2]" 1
1229 1 88 LYS HA 1 88 LYS QD . . 4.380 3.518 2.073 4.440 0.060 15 0 "[ . 1 . 2]" 1
1230 1 88 LYS HA 1 88 LYS QG . . 3.600 2.701 2.298 3.535 . 0 0 "[ . 1 . 2]" 1
1231 1 88 LYS QB 1 89 GLN H . . 3.560 2.622 2.268 3.640 0.080 17 0 "[ . 1 . 2]" 1
1232 1 88 LYS QD 1 89 GLN H . . 4.140 4.040 2.769 4.230 0.090 7 0 "[ . 1 . 2]" 1
1233 1 89 GLN H 1 89 GLN QB . . 3.140 2.467 2.267 2.749 . 0 0 "[ . 1 . 2]" 1
1234 1 89 GLN H 1 89 GLN HG2 . . 4.080 2.757 1.979 4.108 0.028 17 0 "[ . 1 . 2]" 1
1235 1 89 GLN H 1 89 GLN QG . . 3.450 2.275 1.955 2.872 . 0 0 "[ . 1 . 2]" 1
1236 1 89 GLN H 1 89 GLN HG3 . . 4.080 3.038 2.002 3.922 . 0 0 "[ . 1 . 2]" 1
1237 1 89 GLN H 1 90 LYS H . . 3.360 2.812 2.493 3.013 . 0 0 "[ . 1 . 2]" 1
1238 1 89 GLN H 1 90 LYS HA . . 5.500 5.409 5.173 5.543 0.043 5 0 "[ . 1 . 2]" 1
1239 1 89 GLN H 1 90 LYS QG . . 4.610 4.302 3.749 4.682 0.072 5 0 "[ . 1 . 2]" 1
1240 1 89 GLN HA 1 89 GLN QG . . 3.350 2.784 2.330 3.370 0.020 18 0 "[ . 1 . 2]" 1
1241 1 89 GLN QB 1 90 LYS H . . 3.820 3.177 2.301 3.888 0.068 18 0 "[ . 1 . 2]" 1
1242 1 90 LYS H 1 90 LYS QB . . 3.040 2.530 2.253 2.977 . 0 0 "[ . 1 . 2]" 1
1243 1 90 LYS H 1 91 GLY H . . 3.320 2.291 1.980 2.782 . 0 0 "[ . 1 . 2]" 1
1244 1 90 LYS H 1 92 THR MG . . 5.500 5.042 4.093 5.569 0.069 20 0 "[ . 1 . 2]" 1
1245 1 90 LYS HA 1 90 LYS QD . . 4.230 3.186 2.006 4.309 0.079 7 0 "[ . 1 . 2]" 1
1246 1 90 LYS HA 1 90 LYS HG2 . . 3.960 2.928 2.451 3.827 . 0 0 "[ . 1 . 2]" 1
1247 1 90 LYS HA 1 90 LYS HG3 . . 3.960 3.496 2.873 3.896 . 0 0 "[ . 1 . 2]" 1
1248 1 90 LYS QB 1 90 LYS QD . . 3.490 2.401 2.119 2.900 . 0 0 "[ . 1 . 2]" 1
1249 1 90 LYS QB 1 91 GLY H . . 3.850 3.161 2.414 3.887 0.037 18 0 "[ . 1 . 2]" 1
1250 1 90 LYS QB 1 92 THR MG . . 5.120 3.465 2.217 5.210 0.090 14 0 "[ . 1 . 2]" 1
1251 1 90 LYS QG 1 91 GLY H . . 5.090 4.176 2.584 4.704 . 0 0 "[ . 1 . 2]" 1
1252 1 91 GLY H 1 92 THR MG . . 5.130 4.074 3.248 4.612 . 0 0 "[ . 1 . 2]" 1
1253 1 91 GLY QA 1 93 ILE H . . 4.600 3.498 2.767 4.489 . 0 0 "[ . 1 . 2]" 1
1254 1 91 GLY QA 1 94 GLU H . . 5.340 4.175 2.865 5.425 0.085 5 0 "[ . 1 . 2]" 1
1255 1 92 THR H 1 92 THR MG . . 4.180 2.523 1.843 3.430 . 0 0 "[ . 1 . 2]" 1
1256 1 92 THR H 1 93 ILE H . . 3.120 2.662 1.831 3.178 0.058 13 0 "[ . 1 . 2]" 1
1257 1 92 THR HA 1 92 THR MG . . 3.390 2.603 2.222 3.278 . 0 0 "[ . 1 . 2]" 1
1258 1 92 THR HA 1 93 ILE H . . 3.550 3.306 2.783 3.586 0.036 19 0 "[ . 1 . 2]" 1
1259 1 92 THR HA 1 94 GLU H . . 4.980 4.152 3.022 5.047 0.067 19 0 "[ . 1 . 2]" 1
1260 1 92 THR MG 1 93 ILE H . . 4.330 3.954 2.552 4.388 0.058 9 0 "[ . 1 . 2]" 1
1261 1 92 THR MG 1 94 GLU H . . 5.500 5.204 4.371 5.586 0.086 4 0 "[ . 1 . 2]" 1
1262 1 93 ILE H 1 93 ILE HB . . 3.760 2.913 2.211 3.817 0.057 18 0 "[ . 1 . 2]" 1
1263 1 93 ILE H 1 93 ILE QG . . 3.500 2.342 1.948 3.037 . 0 0 "[ . 1 . 2]" 1
1264 1 93 ILE H 1 93 ILE MG . . 3.870 3.551 2.263 3.952 0.082 5 0 "[ . 1 . 2]" 1
1265 1 93 ILE H 1 94 GLU H . . 3.300 2.400 1.707 2.933 . 0 0 "[ . 1 . 2]" 1
1266 1 93 ILE HA 1 93 ILE QG . . 3.580 2.862 2.288 3.576 . 0 0 "[ . 1 . 2]" 1
1267 1 93 ILE HA 1 93 ILE MG . . 3.290 2.396 2.196 2.645 . 0 0 "[ . 1 . 2]" 1
1268 1 93 ILE HB 1 94 GLU H . . 3.940 3.262 2.495 4.016 0.076 13 0 "[ . 1 . 2]" 1
1269 1 93 ILE QG 1 93 ILE MG . . 2.810 2.260 2.039 2.402 . 0 0 "[ . 1 . 2]" 1
1270 1 93 ILE QG 1 94 GLU H . . 4.370 3.784 2.416 4.438 0.068 11 0 "[ . 1 . 2]" 1
1271 1 93 ILE MG 1 94 GLU H . . 4.200 3.868 3.314 4.244 0.044 14 0 "[ . 1 . 2]" 1
1272 1 94 GLU H 1 94 GLU QB . . 3.110 2.572 2.072 3.178 0.068 13 0 "[ . 1 . 2]" 1
1273 1 94 GLU H 1 94 GLU QG . . 4.100 2.913 1.855 4.137 0.037 9 0 "[ . 1 . 2]" 1
1274 1 94 GLU H 1 95 GLY QA . . 5.500 4.898 4.385 5.399 . 0 0 "[ . 1 . 2]" 1
1275 1 94 GLU HA 1 94 GLU QG . . 3.450 2.659 2.176 3.343 . 0 0 "[ . 1 . 2]" 1
1276 1 94 GLU HA 1 95 GLY H . . 3.000 2.462 2.148 3.075 0.075 12 0 "[ . 1 . 2]" 1
1277 1 94 GLU QB 1 95 GLY H . . 4.070 3.267 1.918 4.006 . 0 0 "[ . 1 . 2]" 1
1278 1 94 GLU HB2 1 95 GLY H . . 4.790 4.034 1.927 4.647 . 0 0 "[ . 1 . 2]" 1
1279 1 94 GLU HB3 1 95 GLY H . . 4.790 3.588 2.241 4.469 . 0 0 "[ . 1 . 2]" 1
1280 1 94 GLU QG 1 95 GLY H . . 4.800 3.809 2.041 4.855 0.055 6 0 "[ . 1 . 2]" 1
1281 1 95 GLY H 1 96 ARG H . . 3.630 3.205 2.227 3.701 0.071 17 0 "[ . 1 . 2]" 1
1282 1 95 GLY H 1 96 ARG HA . . 5.260 4.866 4.373 5.321 0.061 5 0 "[ . 1 . 2]" 1
1283 1 95 GLY H 1 97 GLY QA . . 4.190 4.115 3.636 4.265 0.075 12 0 "[ . 1 . 2]" 1
1284 1 95 GLY QA 1 96 ARG H . . 3.330 2.381 2.129 2.860 . 0 0 "[ . 1 . 2]" 1
1285 1 95 GLY QA 1 97 GLY H . . 4.130 3.960 3.595 4.205 0.075 8 0 "[ . 1 . 2]" 1
1286 1 96 ARG H 1 96 ARG HB2 . . 3.710 3.001 2.230 3.778 0.068 19 0 "[ . 1 . 2]" 1
1287 1 96 ARG H 1 96 ARG QB . . 3.170 2.654 2.206 3.255 0.085 9 0 "[ . 1 . 2]" 1
1288 1 96 ARG H 1 96 ARG HB3 . . 3.710 3.287 2.505 3.789 0.079 10 0 "[ . 1 . 2]" 1
1289 1 96 ARG H 1 96 ARG QD . . 5.010 4.046 2.758 4.955 . 0 0 "[ . 1 . 2]" 1
1290 1 96 ARG H 1 96 ARG QG . . 4.040 2.758 1.966 4.104 0.064 2 0 "[ . 1 . 2]" 1
1291 1 96 ARG H 1 97 GLY H . . 3.670 2.963 1.867 3.732 0.062 3 0 "[ . 1 . 2]" 1
1292 1 96 ARG HA 1 96 ARG QD . . 4.340 3.563 2.031 4.413 0.073 6 0 "[ . 1 . 2]" 1
1293 1 96 ARG HA 1 96 ARG QG . . 3.530 2.823 2.277 3.410 . 0 0 "[ . 1 . 2]" 1
1294 1 96 ARG HA 1 97 GLY QA . . 4.730 4.255 3.978 4.471 . 0 0 "[ . 1 . 2]" 1
1295 1 96 ARG HB2 1 97 GLY H . . 4.570 4.094 2.548 4.572 0.002 2 0 "[ . 1 . 2]" 1
1296 1 96 ARG HB3 1 97 GLY H . . 4.570 4.114 2.645 4.630 0.060 15 0 "[ . 1 . 2]" 1
1297 1 96 ARG QG 1 97 GLY H . . 4.920 4.035 2.261 4.797 . 0 0 "[ . 1 . 2]" 1
1298 1 97 GLY QA 1 99 GLU H . . 5.360 4.259 3.070 5.360 . 0 0 "[ . 1 . 2]" 1
1299 1 98 ASN H 1 98 ASN QB . . 3.820 2.764 2.315 3.489 . 0 0 "[ . 1 . 2]" 1
1300 1 98 ASN H 1 99 GLU H . . 3.950 3.229 2.156 4.014 0.064 18 0 "[ . 1 . 2]" 1
1301 1 98 ASN QB 1 99 GLU H . . 4.150 3.625 2.092 4.116 . 0 0 "[ . 1 . 2]" 1
1302 1 99 GLU H 1 99 GLU QB . . 3.290 2.692 2.193 3.260 . 0 0 "[ . 1 . 2]" 1
1303 1 99 GLU H 1 99 GLU QG . . 4.450 3.078 2.050 4.166 . 0 0 "[ . 1 . 2]" 1
1304 1 99 GLU H 1 100 PHE H . . 4.080 3.978 2.919 4.153 0.073 4 0 "[ . 1 . 2]" 1
1305 1 99 GLU HA 1 99 GLU HG2 . . 3.930 2.991 2.288 3.922 . 0 0 "[ . 1 . 2]" 1
1306 1 99 GLU HA 1 99 GLU QG . . 3.440 2.672 2.254 3.412 . 0 0 "[ . 1 . 2]" 1
1307 1 99 GLU HA 1 99 GLU HG3 . . 3.930 3.210 2.322 3.819 . 0 0 "[ . 1 . 2]" 1
1308 1 99 GLU HA 1 100 PHE H . . 3.080 2.332 2.041 2.910 . 0 0 "[ . 1 . 2]" 1
1309 1 99 GLU HA 1 100 PHE HB2 . . 4.920 4.513 3.902 4.976 0.056 19 0 "[ . 1 . 2]" 1
1310 1 99 GLU QB 1 100 PHE HB2 . . 5.340 5.038 4.422 5.394 0.054 19 0 "[ . 1 . 2]" 1
1311 1 99 GLU QG 1 100 PHE H . . 4.610 3.875 1.607 4.509 . 0 0 "[ . 1 . 2]" 1
1312 1 99 GLU HG2 1 100 PHE H . . 5.430 4.378 1.611 5.334 . 0 0 "[ . 1 . 2]" 1
1313 1 99 GLU HG3 1 100 PHE H . . 5.430 4.585 3.177 5.489 0.059 16 0 "[ . 1 . 2]" 1
1314 1 100 PHE H 1 100 PHE HB2 . . 3.570 3.108 2.611 3.406 . 0 0 "[ . 1 . 2]" 1
1315 1 100 PHE H 1 100 PHE HB3 . . 3.360 3.086 2.677 3.432 0.072 6 0 "[ . 1 . 2]" 1
1316 1 100 PHE H 1 101 LEU H . . 4.540 3.998 3.592 4.450 . 0 0 "[ . 1 . 2]" 1
1317 1 100 PHE H 1 101 LEU HA . . 4.830 4.611 4.208 4.894 0.064 2 0 "[ . 1 . 2]" 1
1318 1 100 PHE H 1 101 LEU QD . . 5.030 3.715 2.500 4.780 . 0 0 "[ . 1 . 2]" 1
1319 1 100 PHE H 1 101 LEU HG . . 5.500 4.292 2.974 5.563 0.063 1 0 "[ . 1 . 2]" 1
1320 1 100 PHE HA 1 100 PHE QD . . 3.150 2.911 2.321 3.202 0.052 2 0 "[ . 1 . 2]" 1
1321 1 100 PHE HA 1 100 PHE QE . . 4.760 4.484 4.060 4.830 0.070 3 0 "[ . 1 . 2]" 1
1322 1 100 PHE HA 1 101 LEU H . . 3.240 2.221 2.137 2.481 . 0 0 "[ . 1 . 2]" 1
1323 1 100 PHE HB2 1 101 LEU H . . 4.730 4.475 4.010 4.755 0.025 6 0 "[ . 1 . 2]" 1
1324 1 100 PHE HB3 1 101 LEU H . . 4.390 4.112 3.463 4.446 0.056 5 0 "[ . 1 . 2]" 1
1325 1 100 PHE QD 1 101 LEU H . . 3.490 2.921 2.298 3.559 0.069 14 0 "[ . 1 . 2]" 1
1326 1 100 PHE QD 1 102 SER H . . 3.770 3.645 3.032 3.857 0.087 1 0 "[ . 1 . 2]" 1
1327 1 100 PHE QE 1 101 LEU H . . 4.980 4.459 3.514 5.042 0.062 18 0 "[ . 1 . 2]" 1
1328 1 100 PHE QE 1 102 SER H . . 5.230 4.949 4.389 5.306 0.076 6 0 "[ . 1 . 2]" 1
1329 1 100 PHE QE 1 102 SER QB . . 4.350 3.373 2.175 4.432 0.082 6 0 "[ . 1 . 2]" 1
1330 1 101 LEU H 1 101 LEU QD . . 4.310 3.305 2.278 3.846 . 0 0 "[ . 1 . 2]" 1
1331 1 101 LEU H 1 101 LEU HG . . 4.070 3.313 2.447 4.122 0.052 11 0 "[ . 1 . 2]" 1
1332 1 101 LEU H 1 102 SER H . . 4.380 4.084 3.581 4.436 0.056 14 0 "[ . 1 . 2]" 1
1333 1 101 LEU HA 1 102 SER H . . 3.060 2.188 2.084 2.297 . 0 0 "[ . 1 . 2]" 1
1334 1 101 LEU QB 1 102 SER H . . 4.840 3.469 2.821 3.794 . 0 0 "[ . 1 . 2]" 1
1335 1 101 LEU QD 1 102 SER H . . 5.370 3.876 3.364 4.474 . 0 0 "[ . 1 . 2]" 1
1336 1 102 SER H 1 102 SER HB2 . . 3.800 3.083 2.149 3.774 . 0 0 "[ . 1 . 2]" 1
1337 1 102 SER H 1 102 SER QB . . 3.290 2.682 2.101 3.150 . 0 0 "[ . 1 . 2]" 1
1338 1 102 SER H 1 102 SER HB3 . . 3.800 3.162 2.260 3.811 0.011 2 0 "[ . 1 . 2]" 1
1339 1 103 PRO HA 1 105 VAL H . . 5.050 4.345 4.185 4.487 . 0 0 "[ . 1 . 2]" 1
1340 1 103 PRO QB 1 105 VAL H . . 4.180 2.774 2.459 3.239 . 0 0 "[ . 1 . 2]" 1
1341 1 104 GLU H 1 104 GLU QG . . 3.860 2.214 1.945 2.725 . 0 0 "[ . 1 . 2]" 1
1342 1 104 GLU H 1 105 VAL H . . 3.450 2.839 2.628 3.005 . 0 0 "[ . 1 . 2]" 1
1343 1 104 GLU HA 1 104 GLU QG . . 3.400 2.738 2.167 3.478 0.078 18 0 "[ . 1 . 2]" 1
1344 1 104 GLU HA 1 108 HIS HD2 . . 5.200 4.850 4.365 5.258 0.058 15 0 "[ . 1 . 2]" 1
1345 1 104 GLU QB 1 108 HIS H . . 5.020 4.851 4.260 5.100 0.080 3 0 "[ . 1 . 2]" 1
1346 1 104 GLU QB 1 108 HIS HD2 . . 3.990 3.661 3.075 4.050 0.060 7 0 "[ . 1 . 2]" 1
1347 1 104 GLU QG 1 105 VAL H . . 4.420 3.733 2.166 4.458 0.038 9 0 "[ . 1 . 2]" 1
1348 1 104 GLU QG 1 105 VAL QG . . 5.060 4.292 2.476 5.176 0.116 3 0 "[ . 1 . 2]" 1
1349 1 105 VAL H 1 105 VAL HB . . 3.070 2.574 2.002 2.744 . 0 0 "[ . 1 . 2]" 1
1350 1 105 VAL H 1 105 VAL MG1 . . 3.880 3.653 2.495 3.819 . 0 0 "[ . 1 . 2]" 1
1351 1 105 VAL H 1 105 VAL QG . . 3.110 1.993 1.812 2.657 . 0 0 "[ . 1 . 2]" 1
1352 1 105 VAL H 1 105 VAL MG2 . . 3.880 2.095 1.816 3.535 . 0 0 "[ . 1 . 2]" 1
1353 1 105 VAL H 1 106 PHE H . . 3.290 2.803 2.685 2.961 . 0 0 "[ . 1 . 2]" 1
1354 1 105 VAL H 1 108 HIS HD2 . . 5.450 4.862 4.087 5.362 . 0 0 "[ . 1 . 2]" 1
1355 1 105 VAL HA 1 105 VAL MG1 . . 3.460 2.460 2.236 3.242 . 0 0 "[ . 1 . 2]" 1
1356 1 105 VAL HA 1 105 VAL QG . . 3.030 2.135 2.073 2.163 . 0 0 "[ . 1 . 2]" 1
1357 1 105 VAL HA 1 105 VAL MG2 . . 3.460 2.399 2.185 2.493 . 0 0 "[ . 1 . 2]" 1
1358 1 105 VAL HA 1 108 HIS HD2 . . 3.580 3.120 2.295 3.613 0.033 9 0 "[ . 1 . 2]" 1
1359 1 105 VAL HB 1 106 PHE H . . 3.800 3.211 2.973 3.866 0.066 3 0 "[ . 1 . 2]" 1
1360 1 105 VAL QG 1 106 PHE H . . 3.760 3.442 2.511 3.600 . 0 0 "[ . 1 . 2]" 1
1361 1 105 VAL QG 1 108 HIS HE1 . . 4.730 3.616 2.634 4.826 0.096 3 0 "[ . 1 . 2]" 1
1362 1 105 VAL QG 1 109 ILE H . . 4.440 4.051 3.503 4.508 0.068 12 0 "[ . 1 . 2]" 1
1363 1 105 VAL MG1 1 106 PHE H . . 4.300 3.813 2.531 4.065 . 0 0 "[ . 1 . 2]" 1
1364 1 105 VAL MG1 1 108 HIS HD2 . . 4.970 4.843 4.148 5.050 0.080 9 0 "[ . 1 . 2]" 1
1365 1 105 VAL MG2 1 106 PHE H . . 4.300 4.031 3.924 4.277 . 0 0 "[ . 1 . 2]" 1
1366 1 105 VAL MG2 1 108 HIS HD2 . . 4.970 4.666 3.862 5.036 0.066 10 0 "[ . 1 . 2]" 1
1367 1 106 PHE H 1 106 PHE QD . . 4.360 4.162 4.108 4.190 . 0 0 "[ . 1 . 2]" 1
1368 1 106 PHE HA 1 106 PHE QD . . 2.980 2.614 2.347 2.962 . 0 0 "[ . 1 . 2]" 1
1369 1 106 PHE HA 1 109 ILE H . . 4.710 3.931 3.698 4.312 . 0 0 "[ . 1 . 2]" 1
1370 1 106 PHE HA 1 109 ILE HB . . 4.580 3.838 3.371 4.636 0.056 8 0 "[ . 1 . 2]" 1
1371 1 106 PHE HA 1 109 ILE MD . . 4.180 2.364 2.091 2.858 . 0 0 "[ . 1 . 2]" 1
1372 1 106 PHE QB 1 110 TRP HE1 . . 5.340 4.701 4.259 5.069 . 0 0 "[ . 1 . 2]" 1
1373 1 106 PHE QD 1 107 GLN QG . . 3.740 2.535 2.140 3.283 . 0 0 "[ . 1 . 2]" 1
1374 1 106 PHE QD 1 109 ILE MD . . 4.070 3.633 2.757 4.143 0.073 16 0 "[ . 1 . 2]" 1
1375 1 106 PHE QE 1 107 GLN QG . . 4.020 3.647 3.133 4.100 0.080 1 0 "[ . 1 . 2]" 1
1376 1 106 PHE HZ 1 107 GLN QG . . 5.500 5.473 4.821 5.582 0.082 14 0 "[ . 1 . 2]" 1
1377 1 107 GLN H 1 107 GLN QB . . 3.530 2.360 2.102 2.489 . 0 0 "[ . 1 . 2]" 1
1378 1 107 GLN H 1 107 GLN QG . . 3.900 2.645 2.226 3.267 . 0 0 "[ . 1 . 2]" 1
1379 1 107 GLN H 1 110 TRP HD1 . . 5.260 4.878 4.578 5.113 . 0 0 "[ . 1 . 2]" 1
1380 1 107 GLN H 1 110 TRP HE1 . . 5.500 5.288 4.760 5.553 0.053 8 0 "[ . 1 . 2]" 1
1381 1 107 GLN HA 1 107 GLN QG . . 3.790 2.344 2.153 2.675 . 0 0 "[ . 1 . 2]" 1
1382 1 107 GLN HA 1 108 HIS HD2 . . 5.010 5.005 4.813 5.077 0.067 17 0 "[ . 1 . 2]" 1
1383 1 107 GLN HA 1 110 TRP H . . 5.140 3.256 3.032 3.839 . 0 0 "[ . 1 . 2]" 1
1384 1 107 GLN HA 1 110 TRP HB2 . . 4.630 3.433 2.939 3.867 . 0 0 "[ . 1 . 2]" 1
1385 1 107 GLN HA 1 110 TRP HB3 . . 5.300 4.951 4.590 5.351 0.051 1 0 "[ . 1 . 2]" 1
1386 1 107 GLN HA 1 110 TRP HD1 . . 3.280 2.170 2.062 2.249 . 0 0 "[ . 1 . 2]" 1
1387 1 107 GLN HA 1 110 TRP HE1 . . 4.720 3.607 2.717 4.144 . 0 0 "[ . 1 . 2]" 1
1388 1 107 GLN QB 1 108 HIS H . . 4.970 2.974 2.772 3.116 . 0 0 "[ . 1 . 2]" 1
1389 1 107 GLN QB 1 108 HIS HD2 . . 3.720 2.996 2.684 3.238 . 0 0 "[ . 1 . 2]" 1
1390 1 107 GLN QB 1 110 TRP HD1 . . 4.190 3.793 3.086 4.247 0.057 16 0 "[ . 1 . 2]" 1
1391 1 107 GLN QG 1 108 HIS H . . 5.150 4.385 4.143 4.641 . 0 0 "[ . 1 . 2]" 1
1392 1 107 GLN QG 1 110 TRP HD1 . . 4.250 3.155 2.671 3.808 . 0 0 "[ . 1 . 2]" 1
1393 1 108 HIS H 1 108 HIS HD2 . . 3.540 2.270 1.942 2.468 . 0 0 "[ . 1 . 2]" 1
1394 1 108 HIS H 1 109 ILE H . . 3.780 2.725 2.499 3.018 . 0 0 "[ . 1 . 2]" 1
1395 1 108 HIS HA 1 108 HIS HD2 . . 3.610 3.049 2.633 3.653 0.043 3 0 "[ . 1 . 2]" 1
1396 1 108 HIS QB 1 108 HIS HD2 . . 3.390 3.206 2.979 3.348 . 0 0 "[ . 1 . 2]" 1
1397 1 108 HIS HB2 1 109 ILE H . . 4.510 2.943 2.371 3.217 . 0 0 "[ . 1 . 2]" 1
1398 1 108 HIS HB3 1 109 ILE H . . 4.510 3.881 3.507 4.055 . 0 0 "[ . 1 . 2]" 1
1399 1 108 HIS HD2 1 109 ILE H . . 4.880 4.781 4.520 4.921 0.041 8 0 "[ . 1 . 2]" 1
1400 1 109 ILE H 1 109 ILE HB . . 3.570 2.395 2.232 2.542 . 0 0 "[ . 1 . 2]" 1
1401 1 109 ILE H 1 109 ILE QG . . 4.190 2.691 2.091 3.454 . 0 0 "[ . 1 . 2]" 1
1402 1 109 ILE H 1 109 ILE MG . . 3.960 3.770 3.707 3.829 . 0 0 "[ . 1 . 2]" 1
1403 1 109 ILE HA 1 109 ILE MD . . 4.040 3.533 2.859 3.931 . 0 0 "[ . 1 . 2]" 1
1404 1 109 ILE HA 1 112 PHE H . . 5.450 3.884 3.539 4.190 . 0 0 "[ . 1 . 2]" 1
1405 1 109 ILE HA 1 112 PHE QD . . 3.420 2.158 2.050 2.367 . 0 0 "[ . 1 . 2]" 1
1406 1 109 ILE HA 1 112 PHE QE . . 3.790 2.300 2.125 2.469 . 0 0 "[ . 1 . 2]" 1
1407 1 109 ILE HA 1 113 LEU H . . 5.500 4.615 4.112 5.118 . 0 0 "[ . 1 . 2]" 1
1408 1 109 ILE HB 1 109 ILE MD . . 3.600 2.362 2.212 2.452 . 0 0 "[ . 1 . 2]" 1
1409 1 109 ILE HB 1 110 TRP H . . 4.440 2.858 2.608 3.073 . 0 0 "[ . 1 . 2]" 1
1410 1 109 ILE HB 1 110 TRP HD1 . . 5.020 4.965 4.627 5.091 0.071 8 0 "[ . 1 . 2]" 1
1411 1 109 ILE HB 1 110 TRP HH2 . . 5.500 5.113 4.256 5.524 0.024 10 0 "[ . 1 . 2]" 1
1412 1 109 ILE HB 1 110 TRP HZ2 . . 4.950 4.563 3.964 4.986 0.036 2 0 "[ . 1 . 2]" 1
1413 1 109 ILE HB 1 110 TRP HZ3 . . 5.380 5.178 4.310 5.438 0.058 18 0 "[ . 1 . 2]" 1
1414 1 109 ILE HB 1 112 PHE QE . . 4.420 4.445 4.252 4.495 0.075 6 0 "[ . 1 . 2]" 1
1415 1 109 ILE MG 1 110 TRP H . . 4.480 3.478 3.168 3.653 . 0 0 "[ . 1 . 2]" 1
1416 1 109 ILE MG 1 110 TRP HE1 . . 5.410 5.008 4.462 5.456 0.046 8 0 "[ . 1 . 2]" 1
1417 1 109 ILE MG 1 110 TRP HE3 . . 3.740 3.073 2.718 3.370 . 0 0 "[ . 1 . 2]" 1
1418 1 109 ILE MG 1 110 TRP HZ2 . . 4.710 4.068 3.298 4.741 0.031 8 0 "[ . 1 . 2]" 1
1419 1 109 ILE MG 1 110 TRP HZ3 . . 4.080 3.071 2.646 3.394 . 0 0 "[ . 1 . 2]" 1
1420 1 109 ILE MG 1 111 ASP H . . 5.090 4.972 4.734 5.156 0.066 19 0 "[ . 1 . 2]" 1
1421 1 109 ILE MG 1 112 PHE QD . . 3.770 3.805 3.659 3.859 0.089 5 0 "[ . 1 . 2]" 1
1422 1 109 ILE MG 1 112 PHE QE . . 4.030 2.225 2.098 2.463 . 0 0 "[ . 1 . 2]" 1
1423 1 109 ILE MG 1 113 LEU QD . . 4.240 3.934 2.829 4.343 0.103 9 0 "[ . 1 . 2]" 1
1424 1 110 TRP H 1 110 TRP HB3 . . 4.150 3.612 3.532 3.680 . 0 0 "[ . 1 . 2]" 1
1425 1 110 TRP H 1 110 TRP HD1 . . 3.710 3.437 3.173 3.621 . 0 0 "[ . 1 . 2]" 1
1426 1 110 TRP H 1 111 ASP H . . 4.390 2.513 2.318 2.757 . 0 0 "[ . 1 . 2]" 1
1427 1 110 TRP HA 1 110 TRP HE3 . . 3.010 2.164 2.078 2.279 . 0 0 "[ . 1 . 2]" 1
1428 1 110 TRP HA 1 110 TRP HZ3 . . 4.720 4.446 4.333 4.661 . 0 0 "[ . 1 . 2]" 1
1429 1 110 TRP HA 1 113 LEU QD . . 4.140 2.068 1.969 2.519 . 0 0 "[ . 1 . 2]" 1
1430 1 110 TRP HB2 1 110 TRP HD1 . . 3.170 2.537 2.474 2.578 . 0 0 "[ . 1 . 2]" 1
1431 1 110 TRP HB2 1 110 TRP HE1 . . 5.230 4.735 4.688 4.774 . 0 0 "[ . 1 . 2]" 1
1432 1 110 TRP HB2 1 111 ASP H . . 4.360 3.130 2.897 3.567 . 0 0 "[ . 1 . 2]" 1
1433 1 110 TRP HB3 1 110 TRP HD1 . . 3.640 3.498 3.450 3.573 . 0 0 "[ . 1 . 2]" 1
1434 1 110 TRP HB3 1 110 TRP HE3 . . 3.390 3.173 3.113 3.223 . 0 0 "[ . 1 . 2]" 1
1435 1 110 TRP HB3 1 110 TRP HZ3 . . 5.460 5.513 5.499 5.522 0.062 14 0 "[ . 1 . 2]" 1
1436 1 110 TRP HB3 1 111 ASP H . . 4.390 4.164 4.028 4.409 0.019 13 0 "[ . 1 . 2]" 1
1437 1 110 TRP HB3 1 113 LEU QD . . 5.220 2.615 2.196 3.587 . 0 0 "[ . 1 . 2]" 1
1438 1 110 TRP HE3 1 111 ASP H . . 5.500 5.499 5.282 5.552 0.052 20 0 "[ . 1 . 2]" 1
1439 1 110 TRP HE3 1 113 LEU QB . . 3.920 3.297 2.667 3.988 0.068 6 0 "[ . 1 . 2]" 1
1440 1 110 TRP HE3 1 113 LEU QD . . 3.410 2.170 1.901 2.463 . 0 0 "[ . 1 . 2]" 1
1441 1 110 TRP HZ3 1 113 LEU HB2 . . 5.500 5.112 4.272 5.563 0.063 7 0 "[ . 1 . 2]" 1
1442 1 110 TRP HZ3 1 113 LEU QB . . 4.760 4.433 3.860 4.816 0.056 18 0 "[ . 1 . 2]" 1
1443 1 110 TRP HZ3 1 113 LEU HB3 . . 5.500 4.879 4.365 5.297 . 0 0 "[ . 1 . 2]" 1
1444 1 110 TRP HZ3 1 113 LEU QD . . 4.010 3.508 2.650 4.045 0.035 9 0 "[ . 1 . 2]" 1
1445 1 111 ASP H 1 111 ASP HB2 . . 3.950 2.579 2.292 2.880 . 0 0 "[ . 1 . 2]" 1
1446 1 111 ASP H 1 111 ASP QB . . 3.330 2.275 2.137 2.607 . 0 0 "[ . 1 . 2]" 1
1447 1 111 ASP H 1 111 ASP HB3 . . 3.950 2.676 2.257 3.666 . 0 0 "[ . 1 . 2]" 1
1448 1 111 ASP H 1 112 PHE H . . 3.600 2.684 2.393 3.009 . 0 0 "[ . 1 . 2]" 1
1449 1 111 ASP H 1 112 PHE QD . . 4.810 4.313 3.672 4.872 0.062 8 0 "[ . 1 . 2]" 1
1450 1 111 ASP HA 1 115 GLN H . . 5.500 5.205 4.369 5.564 0.064 12 0 "[ . 1 . 2]" 1
1451 1 111 ASP QB 1 112 PHE H . . 3.790 2.417 2.186 2.666 . 0 0 "[ . 1 . 2]" 1
1452 1 111 ASP QB 1 112 PHE QD . . 4.430 4.438 4.243 4.507 0.077 7 0 "[ . 1 . 2]" 1
1453 1 111 ASP HB2 1 112 PHE H . . 4.490 3.594 2.331 3.990 . 0 0 "[ . 1 . 2]" 1
1454 1 111 ASP HB3 1 112 PHE H . . 4.490 2.606 2.203 3.625 . 0 0 "[ . 1 . 2]" 1
1455 1 112 PHE H 1 112 PHE HB2 . . 3.760 3.612 3.527 3.697 . 0 0 "[ . 1 . 2]" 1
1456 1 112 PHE H 1 112 PHE QB . . 3.250 2.353 2.219 2.497 . 0 0 "[ . 1 . 2]" 1
1457 1 112 PHE H 1 112 PHE HB3 . . 3.760 2.385 2.243 2.540 . 0 0 "[ . 1 . 2]" 1
1458 1 112 PHE H 1 112 PHE QD . . 2.960 2.680 2.433 3.001 0.041 5 0 "[ . 1 . 2]" 1
1459 1 112 PHE H 1 113 LEU HG . . 5.500 5.482 5.032 5.566 0.066 19 0 "[ . 1 . 2]" 1
1460 1 112 PHE HA 1 112 PHE QD . . 3.790 3.636 3.589 3.722 . 0 0 "[ . 1 . 2]" 1
1461 1 112 PHE QD 1 113 LEU H . . 4.650 3.382 2.645 3.722 . 0 0 "[ . 1 . 2]" 1
1462 1 112 PHE QD 1 113 LEU HA . . 4.180 3.723 2.722 4.041 . 0 0 "[ . 1 . 2]" 1
1463 1 112 PHE QE 1 113 LEU H . . 4.380 4.345 3.821 4.459 0.079 1 0 "[ . 1 . 2]" 1
1464 1 112 PHE QE 1 113 LEU HA . . 3.850 3.775 3.371 3.930 0.080 18 0 "[ . 1 . 2]" 1
1465 1 113 LEU H 1 113 LEU QB . . 3.290 2.228 2.127 2.437 . 0 0 "[ . 1 . 2]" 1
1466 1 113 LEU H 1 113 LEU QD . . 3.940 3.450 3.275 3.574 . 0 0 "[ . 1 . 2]" 1
1467 1 113 LEU H 1 113 LEU HG . . 3.930 3.159 2.684 3.429 . 0 0 "[ . 1 . 2]" 1
1468 1 113 LEU H 1 114 GLU HA . . 5.500 5.407 5.288 5.526 0.026 8 0 "[ . 1 . 2]" 1
1469 1 113 LEU H 1 114 GLU QG . . 5.200 4.368 3.849 4.906 . 0 0 "[ . 1 . 2]" 1
1470 1 113 LEU HA 1 113 LEU QD . . 3.220 3.281 3.155 3.323 0.103 6 0 "[ . 1 . 2]" 1
1471 1 113 LEU HA 1 114 GLU H . . 3.520 3.517 3.434 3.566 0.046 1 0 "[ . 1 . 2]" 1
1472 1 113 LEU QB 1 114 GLU H . . 4.270 3.567 3.387 3.829 . 0 0 "[ . 1 . 2]" 1
1473 1 113 LEU QD 1 114 GLU H . . 4.230 3.185 3.020 3.389 . 0 0 "[ . 1 . 2]" 1
1474 1 113 LEU HG 1 114 GLU H . . 3.680 2.590 2.334 3.259 . 0 0 "[ . 1 . 2]" 1
1475 1 114 GLU H 1 114 GLU QB . . 3.470 2.593 2.283 3.024 . 0 0 "[ . 1 . 2]" 1
1476 1 114 GLU H 1 114 GLU QG . . 4.010 2.398 1.920 2.932 . 0 0 "[ . 1 . 2]" 1
1477 1 114 GLU HA 1 114 GLU HG2 . . 3.910 2.991 2.205 3.809 . 0 0 "[ . 1 . 2]" 1
1478 1 114 GLU HA 1 114 GLU HG3 . . 3.910 3.549 3.079 3.906 . 0 0 "[ . 1 . 2]" 1
1479 1 114 GLU QB 1 115 GLN H . . 4.050 3.287 2.498 4.092 0.042 8 0 "[ . 1 . 2]" 1
1480 1 115 GLN H 1 115 GLN QB . . 3.490 2.414 2.165 2.740 . 0 0 "[ . 1 . 2]" 1
1481 1 115 GLN H 1 116 PRO HD2 . . 5.310 4.794 3.840 5.173 . 0 0 "[ . 1 . 2]" 1
1482 1 115 GLN H 1 116 PRO QD . . 4.550 4.175 2.799 4.550 0.000 6 0 "[ . 1 . 2]" 1
1483 1 115 GLN H 1 116 PRO HD3 . . 5.310 4.664 2.876 5.241 . 0 0 "[ . 1 . 2]" 1
1484 1 115 GLN HA 1 116 PRO HD2 . . 3.130 2.602 2.124 3.171 0.041 20 0 "[ . 1 . 2]" 1
1485 1 115 GLN HA 1 116 PRO HD3 . . 3.130 2.517 2.167 3.011 . 0 0 "[ . 1 . 2]" 1
1486 1 116 PRO HA 1 117 ILE H . . 2.810 2.563 2.153 2.873 0.063 3 0 "[ . 1 . 2]" 1
1487 1 116 PRO QB 1 117 ILE H . . 4.050 3.081 1.940 4.121 0.071 20 0 "[ . 1 . 2]" 1
1488 1 116 PRO QB 1 117 ILE HA . . 4.840 4.465 3.943 4.744 . 0 0 "[ . 1 . 2]" 1
1489 1 116 PRO QD 1 117 ILE H . . 4.960 4.508 3.556 5.007 0.047 13 0 "[ . 1 . 2]" 1
1490 1 117 ILE H 1 117 ILE HB . . 3.780 2.776 2.221 3.821 0.041 14 0 "[ . 1 . 2]" 1
1491 1 117 ILE H 1 117 ILE HG12 . . 4.270 3.659 2.684 4.266 . 0 0 "[ . 1 . 2]" 1
1492 1 117 ILE H 1 117 ILE QG . . 3.550 2.731 1.750 3.169 . 0 0 "[ . 1 . 2]" 1
1493 1 117 ILE H 1 117 ILE HG13 . . 4.270 2.987 1.763 4.275 0.005 4 0 "[ . 1 . 2]" 1
1494 1 117 ILE H 1 117 ILE MG . . 3.990 3.860 3.694 4.035 0.045 6 0 "[ . 1 . 2]" 1
1495 1 117 ILE H 1 118 SER QB . . 5.340 4.883 3.957 5.421 0.081 9 0 "[ . 1 . 2]" 1
1496 1 117 ILE HA 1 117 ILE MG . . 3.420 2.432 2.208 2.700 . 0 0 "[ . 1 . 2]" 1
1497 1 117 ILE HA 1 118 SER H . . 3.140 2.375 2.142 3.224 0.084 11 0 "[ . 1 . 2]" 1
1498 1 117 ILE HB 1 117 ILE MD . . 3.640 2.537 2.304 3.282 . 0 0 "[ . 1 . 2]" 1
1499 1 117 ILE HB 1 118 SER H . . 4.660 4.010 1.878 4.540 . 0 0 "[ . 1 . 2]" 1
1500 1 117 ILE MG 1 118 SER H . . 4.340 2.879 2.180 4.220 . 0 0 "[ . 1 . 2]" 1
1501 1 117 ILE MG 1 118 SER HA . . 4.550 3.800 3.285 4.591 0.041 6 0 "[ . 1 . 2]" 1
1502 1 117 ILE MG 1 119 SER H . . 5.500 3.929 1.921 5.588 0.088 14 0 "[ . 1 . 2]" 1
1503 1 118 SER H 1 118 SER QB . . 3.580 2.798 2.279 3.346 . 0 0 "[ . 1 . 2]" 1
1504 1 119 SER H 1 120 VAL H . . 3.970 3.671 2.791 4.039 0.069 5 0 "[ . 1 . 2]" 1
1505 1 119 SER H 1 120 VAL QG . . 5.500 3.937 2.887 5.194 . 0 0 "[ . 1 . 2]" 1
1506 1 119 SER HA 1 120 VAL H . . 3.200 2.392 1.944 3.175 . 0 0 "[ . 1 . 2]" 1
1507 1 119 SER HA 1 120 VAL QG . . 4.770 3.851 3.358 4.211 . 0 0 "[ . 1 . 2]" 1
1508 1 119 SER HA 1 121 GLN H . . 4.800 4.402 3.425 4.872 0.072 16 0 "[ . 1 . 2]" 1
1509 1 119 SER QB 1 120 VAL H . . 4.210 3.758 3.161 4.074 . 0 0 "[ . 1 . 2]" 1
1510 1 120 VAL H 1 120 VAL HB . . 3.560 2.959 2.465 3.639 0.079 1 0 "[ . 1 . 2]" 1
1511 1 120 VAL H 1 120 VAL QG . . 3.320 2.390 1.751 3.215 . 0 0 "[ . 1 . 2]" 1
1512 1 120 VAL HA 1 120 VAL QG . . 3.190 2.207 2.101 2.393 . 0 0 "[ . 1 . 2]" 1
1513 1 120 VAL HA 1 121 GLN H . . 2.990 2.403 2.135 2.889 . 0 0 "[ . 1 . 2]" 1
1514 1 120 VAL HB 1 121 GLN H . . 4.670 4.489 4.143 4.611 . 0 0 "[ . 1 . 2]" 1
1515 1 120 VAL QG 1 121 GLN H . . 3.780 3.591 3.314 3.818 0.038 9 0 "[ . 1 . 2]" 1
1516 1 121 GLN H 1 121 GLN HB2 . . 3.840 3.138 2.308 3.899 0.059 11 0 "[ . 1 . 2]" 1
1517 1 121 GLN H 1 121 GLN QB . . 3.220 2.745 2.281 3.280 0.060 8 0 "[ . 1 . 2]" 1
1518 1 121 GLN H 1 121 GLN HB3 . . 3.840 3.364 2.674 3.878 0.038 17 0 "[ . 1 . 2]" 1
1519 1 121 GLN H 1 122 PRO QD . . 4.930 3.613 2.520 4.526 . 0 0 "[ . 1 . 2]" 1
1520 1 121 GLN HA 1 122 PRO HD2 . . 3.190 2.373 2.178 2.727 . 0 0 "[ . 1 . 2]" 1
1521 1 121 GLN HA 1 122 PRO QD . . 2.790 2.197 2.074 2.341 . 0 0 "[ . 1 . 2]" 1
1522 1 121 GLN HA 1 122 PRO HD3 . . 3.190 2.779 2.273 3.254 0.064 7 0 "[ . 1 . 2]" 1
1523 1 121 GLN QB 1 122 PRO QD . . 4.330 3.201 2.043 3.927 . 0 0 "[ . 1 . 2]" 1
1524 1 122 PRO HA 1 123 ILE H . . 2.900 2.290 2.152 2.516 . 0 0 "[ . 1 . 2]" 1
1525 1 122 PRO HA 1 123 ILE MG . . 4.730 3.660 3.016 4.043 . 0 0 "[ . 1 . 2]" 1
1526 1 122 PRO QB 1 123 ILE H . . 3.980 3.136 2.456 3.865 . 0 0 "[ . 1 . 2]" 1
1527 1 122 PRO HB2 1 123 ILE H . . 4.630 3.315 2.508 4.211 . 0 0 "[ . 1 . 2]" 1
1528 1 122 PRO HB3 1 123 ILE H . . 4.630 3.929 3.516 4.500 . 0 0 "[ . 1 . 2]" 1
1529 1 122 PRO QD 1 123 ILE H . . 4.960 4.903 4.523 5.002 0.042 6 0 "[ . 1 . 2]" 1
1530 1 123 ILE H 1 123 ILE HB . . 3.760 3.697 3.289 3.822 0.062 20 0 "[ . 1 . 2]" 1
1531 1 123 ILE H 1 123 ILE HG12 . . 4.040 2.486 1.950 3.795 . 0 0 "[ . 1 . 2]" 1
1532 1 123 ILE H 1 123 ILE QG . . 3.450 2.268 1.916 3.505 0.055 13 0 "[ . 1 . 2]" 1
1533 1 123 ILE H 1 123 ILE HG13 . . 4.040 3.049 2.002 4.120 0.080 13 0 "[ . 1 . 2]" 1
1534 1 123 ILE H 1 123 ILE MG . . 3.990 2.595 2.078 3.146 . 0 0 "[ . 1 . 2]" 1
1535 1 123 ILE HA 1 123 ILE MG . . 3.690 2.343 2.182 3.280 . 0 0 "[ . 1 . 2]" 1
1536 1 123 ILE HB 1 124 ASP H . . 4.230 3.354 1.964 4.294 0.064 19 0 "[ . 1 . 2]" 1
1537 1 123 ILE QG 1 124 ASP H . . 4.310 3.098 2.001 4.068 . 0 0 "[ . 1 . 2]" 1
1538 1 123 ILE HG12 1 124 ASP H . . 5.040 3.899 2.832 4.921 . 0 0 "[ . 1 . 2]" 1
1539 1 123 ILE HG13 1 124 ASP H . . 5.040 3.295 2.025 4.527 . 0 0 "[ . 1 . 2]" 1
1540 1 123 ILE MG 1 124 ASP H . . 4.130 3.957 3.476 4.209 0.079 19 0 "[ . 1 . 2]" 1
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