NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402871 |
1wgy   |
10086 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wgy
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 1321
_Distance_constraint_stats_list.Viol_count 2737
_Distance_constraint_stats_list.Viol_total 5374.629
_Distance_constraint_stats_list.Viol_max 1.195
_Distance_constraint_stats_list.Viol_rms 0.0567
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0982
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLU 0.049 0.027 4 0 "[ . 1 . 2]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.270 0.158 18 0 "[ . 1 . 2]"
1 11 PHE 0.145 0.077 10 0 "[ . 1 . 2]"
1 12 CYS 0.215 0.036 11 0 "[ . 1 . 2]"
1 13 HIS 2.169 0.144 8 0 "[ . 1 . 2]"
1 14 VAL 3.981 0.385 20 0 "[ . 1 . 2]"
1 15 TYR 6.664 0.802 12 2 "[ . - 1 + . 2]"
1 16 ILE 6.353 0.326 7 0 "[ . 1 . 2]"
1 17 THR 8.070 0.414 12 0 "[ . 1 . 2]"
1 18 GLU 10.313 0.414 12 0 "[ . 1 . 2]"
1 19 HIS 6.224 0.566 12 1 "[ . 1 + . 2]"
1 20 SER 9.363 0.566 12 1 "[ . 1 + . 2]"
1 21 TYR 3.807 0.183 20 0 "[ . 1 . 2]"
1 22 VAL 6.153 0.385 20 0 "[ . 1 . 2]"
1 23 SER 0.404 0.086 9 0 "[ . 1 . 2]"
1 24 VAL 1.197 0.086 9 0 "[ . 1 . 2]"
1 25 LYS 0.286 0.135 10 0 "[ . 1 . 2]"
1 26 ALA 9.584 0.642 9 6 "[ - .* *+1* * . 2]"
1 27 LYS 28.238 0.856 14 12 "[ -**.****1* *+.* * 2]"
1 28 VAL 1.568 0.156 16 0 "[ . 1 . 2]"
1 29 SER 6.793 0.856 14 8 "[ **. * *1 *+.* - 2]"
1 30 SER 7.103 0.506 2 1 "[ + . 1 . 2]"
1 31 ILE 16.060 0.623 18 1 "[ . 1 . + 2]"
1 32 ALA 4.264 0.113 16 0 "[ . 1 . 2]"
1 33 GLN 5.500 0.356 7 0 "[ . 1 . 2]"
1 34 GLU 12.672 0.623 18 4 "[ * .* - 1 . + 2]"
1 35 ILE 8.456 0.567 2 3 "[ + .* - 1 . 2]"
1 36 LEU 10.650 0.475 15 0 "[ . 1 . 2]"
1 37 LYS 31.816 0.499 15 0 "[ . 1 . 2]"
1 38 VAL 28.134 0.499 15 0 "[ . 1 . 2]"
1 39 VAL 4.397 0.104 2 0 "[ . 1 . 2]"
1 40 ALA 7.935 0.271 15 0 "[ . 1 . 2]"
1 41 GLU 1.616 0.093 17 0 "[ . 1 . 2]"
1 42 LYS 11.081 0.432 16 0 "[ . 1 . 2]"
1 43 ILE 4.762 0.160 12 0 "[ . 1 . 2]"
1 44 GLN 3.700 0.092 12 0 "[ . 1 . 2]"
1 45 TYR 8.064 0.856 10 2 "[ - . + . 2]"
1 46 ALA 2.919 0.507 7 1 "[ . + 1 . 2]"
1 47 GLU 4.905 0.475 15 0 "[ . 1 . 2]"
1 48 GLU 0.821 0.053 10 0 "[ . 1 . 2]"
1 49 ASP 2.368 0.507 7 1 "[ . + 1 . 2]"
1 50 LEU 5.464 0.644 12 3 "[ . 1 +- . * 2]"
1 51 ALA 1.768 0.272 17 0 "[ . 1 . 2]"
1 52 LEU 4.045 0.160 18 0 "[ . 1 . 2]"
1 53 VAL 5.148 0.417 18 0 "[ . 1 . 2]"
1 54 ALA 0.870 0.090 19 0 "[ . 1 . 2]"
1 55 ILE 5.924 0.357 10 0 "[ . 1 . 2]"
1 56 THR 10.203 1.195 10 8 "[ -** * + ** . *2]"
1 57 PHE 0.199 0.057 10 0 "[ . 1 . 2]"
1 58 SER 0.363 0.204 17 0 "[ . 1 . 2]"
1 59 GLY 16.168 1.195 10 8 "[ **- * + ** . *2]"
1 60 GLU 4.304 0.612 5 1 "[ + 1 . 2]"
1 61 LYS 1.328 0.158 12 0 "[ . 1 . 2]"
1 62 HIS 0.513 0.065 6 0 "[ . 1 . 2]"
1 63 GLU 1.123 0.208 6 0 "[ . 1 . 2]"
1 64 LEU 3.441 0.220 13 0 "[ . 1 . 2]"
1 65 GLN 8.211 0.347 14 0 "[ . 1 . 2]"
1 66 PRO 7.619 0.350 18 0 "[ . 1 . 2]"
1 67 ASN 9.151 0.402 4 0 "[ . 1 . 2]"
1 68 ASP 0.562 0.140 12 0 "[ . 1 . 2]"
1 69 LEU 4.472 0.795 16 4 "[ .* - 1 .+ * 2]"
1 70 VAL 1.954 0.113 16 0 "[ . 1 . 2]"
1 71 ILE 0.009 0.009 10 0 "[ . 1 . 2]"
1 72 SER 4.225 0.795 16 4 "[ .* - 1 .+ * 2]"
1 73 LYS 0.087 0.086 11 0 "[ . 1 . 2]"
1 74 SER 0.130 0.130 14 0 "[ . 1 . 2]"
1 75 LEU 0.171 0.130 14 0 "[ . 1 . 2]"
1 76 GLU 0.041 0.041 10 0 "[ . 1 . 2]"
1 77 ALA 0.016 0.013 11 0 "[ . 1 . 2]"
1 78 SER 0.016 0.013 11 0 "[ . 1 . 2]"
1 79 GLY 0.406 0.154 12 0 "[ . 1 . 2]"
1 80 ARG 1.814 0.562 20 1 "[ . 1 . +]"
1 81 ILE 2.874 0.241 19 0 "[ . 1 . 2]"
1 82 TYR 7.326 0.802 12 2 "[ . - 1 + . 2]"
1 83 VAL 3.825 0.417 18 0 "[ . 1 . 2]"
1 84 TYR 4.863 0.407 18 0 "[ . 1 . 2]"
1 85 ARG 7.119 0.856 10 3 "[ * . + - . 2]"
1 86 LYS 2.868 0.395 19 0 "[ . 1 . 2]"
1 87 ASP 0.233 0.142 9 0 "[ . 1 . 2]"
1 88 LEU 4.033 0.322 1 0 "[ . 1 . 2]"
1 89 ALA 2.553 0.322 1 0 "[ . 1 . 2]"
1 90 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 THR 27.021 1.174 15 20 [*********-****+*****]
1 92 LEU 28.598 1.174 15 20 [*********-****+*****]
1 93 ASN 0.938 0.338 10 0 "[ . 1 . 2]"
1 94 PRO 0.948 0.407 18 0 "[ . 1 . 2]"
1 95 PHE 0.214 0.113 18 0 "[ . 1 . 2]"
1 96 ALA 0.244 0.113 18 0 "[ . 1 . 2]"
1 97 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.265 0.064 16 0 "[ . 1 . 2]"
1 101 PRO 0.265 0.064 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 GLU H 1 9 GLU QG . . 4.810 4.227 3.142 4.661 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLU HA 1 8 GLU QG . . 3.410 2.869 2.114 3.437 0.027 4 0 "[ . 1 . 2]" 1
3 1 8 GLU HA 1 28 VAL HB . . 4.850 3.952 2.893 4.845 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU HA 1 28 VAL QG . . 3.960 3.213 1.899 3.751 . 0 0 "[ . 1 . 2]" 1
5 1 8 GLU HB2 1 8 GLU QG . . 2.570 2.349 2.180 2.564 . 0 0 "[ . 1 . 2]" 1
6 1 8 GLU HB2 1 28 VAL QG . . 4.080 2.912 1.905 3.971 . 0 0 "[ . 1 . 2]" 1
7 1 8 GLU HB3 1 28 VAL QG . . 4.140 2.465 1.943 3.301 . 0 0 "[ . 1 . 2]" 1
8 1 9 GLU H 1 9 GLU QG . . 4.560 2.612 1.940 3.756 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLU HA 1 9 GLU QG . . 3.820 2.650 1.998 3.384 . 0 0 "[ . 1 . 2]" 1
10 1 10 ILE H 1 10 ILE HB . . 3.500 3.205 2.923 3.394 . 0 0 "[ . 1 . 2]" 1
11 1 10 ILE H 1 10 ILE MG . . 3.630 2.772 2.494 3.788 0.158 18 0 "[ . 1 . 2]" 1
12 1 10 ILE HA 1 10 ILE MD . . 3.910 3.193 2.581 3.585 . 0 0 "[ . 1 . 2]" 1
13 1 10 ILE HA 1 10 ILE HG12 . . 4.100 3.307 3.044 3.606 . 0 0 "[ . 1 . 2]" 1
14 1 10 ILE HA 1 10 ILE HG13 . . 4.180 2.109 1.950 2.378 . 0 0 "[ . 1 . 2]" 1
15 1 10 ILE HA 1 10 ILE MG . . 3.230 3.171 3.099 3.198 . 0 0 "[ . 1 . 2]" 1
16 1 10 ILE HA 1 11 PHE H . . 3.070 2.483 2.302 2.660 . 0 0 "[ . 1 . 2]" 1
17 1 10 ILE HA 1 11 PHE QD . . 4.630 3.721 2.988 4.654 0.024 10 0 "[ . 1 . 2]" 1
18 1 10 ILE HB 1 10 ILE MD . . 3.300 2.086 1.958 2.242 . 0 0 "[ . 1 . 2]" 1
19 1 10 ILE HB 1 11 PHE H . . 4.190 4.024 3.817 4.192 0.002 12 0 "[ . 1 . 2]" 1
20 1 10 ILE MD 1 11 PHE H . . 4.310 3.827 3.458 4.172 . 0 0 "[ . 1 . 2]" 1
21 1 10 ILE MD 1 28 VAL HA . . 4.000 3.510 2.785 3.940 . 0 0 "[ . 1 . 2]" 1
22 1 10 ILE MD 1 28 VAL HB . . 4.110 3.947 3.647 4.121 0.011 19 0 "[ . 1 . 2]" 1
23 1 10 ILE MD 1 28 VAL QG . . 3.140 2.780 2.174 3.121 . 0 0 "[ . 1 . 2]" 1
24 1 10 ILE HG12 1 10 ILE MG . . 3.420 2.103 1.982 2.365 . 0 0 "[ . 1 . 2]" 1
25 1 10 ILE HG12 1 11 PHE H . . 4.080 2.663 2.110 3.645 . 0 0 "[ . 1 . 2]" 1
26 1 10 ILE HG13 1 11 PHE H . . 4.250 2.249 1.958 2.656 . 0 0 "[ . 1 . 2]" 1
27 1 10 ILE MG 1 11 PHE H . . 4.120 3.028 2.397 3.553 . 0 0 "[ . 1 . 2]" 1
28 1 10 ILE MG 1 11 PHE HA . . 4.770 3.519 3.277 3.708 . 0 0 "[ . 1 . 2]" 1
29 1 10 ILE MG 1 25 LYS HA . . 4.480 4.383 4.188 4.491 0.011 13 0 "[ . 1 . 2]" 1
30 1 10 ILE MG 1 28 VAL HA . . 3.610 2.444 1.984 3.169 . 0 0 "[ . 1 . 2]" 1
31 1 10 ILE MG 1 28 VAL HB . . 4.200 3.716 2.829 4.214 0.014 2 0 "[ . 1 . 2]" 1
32 1 11 PHE H 1 11 PHE QD . . 4.230 3.548 3.169 4.036 . 0 0 "[ . 1 . 2]" 1
33 1 11 PHE HA 1 11 PHE QD . . 4.070 2.943 2.523 3.107 . 0 0 "[ . 1 . 2]" 1
34 1 11 PHE HA 1 12 CYS QB . . 4.640 4.023 3.982 4.064 . 0 0 "[ . 1 . 2]" 1
35 1 11 PHE HA 1 25 LYS HA . . 3.520 2.317 1.976 2.609 . 0 0 "[ . 1 . 2]" 1
36 1 11 PHE HA 1 26 ALA H . . 4.680 2.605 2.065 2.866 . 0 0 "[ . 1 . 2]" 1
37 1 11 PHE HA 1 26 ALA MB . . 4.320 4.081 3.446 4.341 0.021 10 0 "[ . 1 . 2]" 1
38 1 11 PHE HB3 1 12 CYS H . . 4.780 3.072 2.704 3.460 . 0 0 "[ . 1 . 2]" 1
39 1 11 PHE HB3 1 23 SER QB . . 4.630 3.748 3.047 4.336 . 0 0 "[ . 1 . 2]" 1
40 1 11 PHE QD 1 23 SER QB . . 4.320 2.500 1.997 2.956 . 0 0 "[ . 1 . 2]" 1
41 1 11 PHE QD 1 24 VAL HA . . 4.750 3.939 3.571 4.672 . 0 0 "[ . 1 . 2]" 1
42 1 11 PHE QD 1 25 LYS HA . . 4.280 3.349 2.834 3.609 . 0 0 "[ . 1 . 2]" 1
43 1 11 PHE QD 1 25 LYS QB . . 4.320 3.778 3.248 4.319 . 0 0 "[ . 1 . 2]" 1
44 1 11 PHE QD 1 25 LYS QE . . 4.610 3.895 3.253 4.576 . 0 0 "[ . 1 . 2]" 1
45 1 11 PHE QD 1 25 LYS QG . . 4.600 3.706 2.944 4.677 0.077 10 0 "[ . 1 . 2]" 1
46 1 11 PHE QE 1 23 SER QB . . 4.750 3.033 2.032 3.538 . 0 0 "[ . 1 . 2]" 1
47 1 11 PHE QE 1 25 LYS HA . . 4.590 3.887 3.586 4.168 . 0 0 "[ . 1 . 2]" 1
48 1 11 PHE QE 1 25 LYS QB . . 4.190 2.882 2.384 3.641 . 0 0 "[ . 1 . 2]" 1
49 1 11 PHE QE 1 25 LYS QD . . 4.150 3.380 2.397 4.031 . 0 0 "[ . 1 . 2]" 1
50 1 11 PHE QE 1 25 LYS QE . . 3.740 2.578 2.000 3.496 . 0 0 "[ . 1 . 2]" 1
51 1 11 PHE QE 1 25 LYS QG . . 4.160 3.311 2.477 4.118 . 0 0 "[ . 1 . 2]" 1
52 1 11 PHE HZ 1 25 LYS QD . . 4.290 3.300 2.028 4.002 . 0 0 "[ . 1 . 2]" 1
53 1 11 PHE HZ 1 25 LYS QE . . 4.190 3.294 1.979 4.198 0.008 17 0 "[ . 1 . 2]" 1
54 1 11 PHE HZ 1 25 LYS QG . . 4.570 3.921 3.173 4.508 . 0 0 "[ . 1 . 2]" 1
55 1 12 CYS H 1 12 CYS QB . . 3.720 2.400 2.307 2.530 . 0 0 "[ . 1 . 2]" 1
56 1 12 CYS H 1 24 VAL H . . 4.380 2.774 2.041 3.159 . 0 0 "[ . 1 . 2]" 1
57 1 12 CYS H 1 24 VAL HB . . 4.540 3.163 2.948 3.510 . 0 0 "[ . 1 . 2]" 1
58 1 12 CYS H 1 24 VAL MG2 . . 4.460 4.450 4.322 4.496 0.036 11 0 "[ . 1 . 2]" 1
59 1 12 CYS H 1 26 ALA MB . . 4.120 3.795 3.241 4.128 0.008 7 0 "[ . 1 . 2]" 1
60 1 12 CYS QB 1 13 HIS H . . 4.780 3.985 3.813 4.110 . 0 0 "[ . 1 . 2]" 1
61 1 12 CYS QB 1 14 VAL QG . . 4.280 3.597 3.359 3.783 . 0 0 "[ . 1 . 2]" 1
62 1 12 CYS QB 1 24 VAL H . . 4.690 3.605 3.232 3.905 . 0 0 "[ . 1 . 2]" 1
63 1 12 CYS QB 1 24 VAL HB . . 3.810 2.305 2.223 2.372 . 0 0 "[ . 1 . 2]" 1
64 1 12 CYS QB 1 24 VAL MG1 . . 4.370 3.055 2.695 3.469 . 0 0 "[ . 1 . 2]" 1
65 1 12 CYS QB 1 24 VAL MG2 . . 3.890 3.749 3.641 3.815 . 0 0 "[ . 1 . 2]" 1
66 1 12 CYS QB 1 26 ALA MB . . 3.620 2.696 1.864 3.219 . 0 0 "[ . 1 . 2]" 1
67 1 12 CYS QB 1 35 ILE MD . . 3.590 2.199 1.904 2.470 . 0 0 "[ . 1 . 2]" 1
68 1 12 CYS QB 1 35 ILE HG12 . . 4.580 4.038 3.818 4.136 . 0 0 "[ . 1 . 2]" 1
69 1 12 CYS QB 1 35 ILE HG13 . . 4.880 2.681 2.459 2.903 . 0 0 "[ . 1 . 2]" 1
70 1 12 CYS QB 1 35 ILE MG . . 3.580 1.967 1.912 2.100 . 0 0 "[ . 1 . 2]" 1
71 1 12 CYS QB 1 70 VAL MG1 . . 4.210 3.882 3.519 3.974 . 0 0 "[ . 1 . 2]" 1
72 1 12 CYS QB 1 70 VAL MG2 . . 4.330 3.131 2.190 3.691 . 0 0 "[ . 1 . 2]" 1
73 1 13 HIS HA 1 13 HIS HD2 . . 3.740 2.872 2.595 3.353 . 0 0 "[ . 1 . 2]" 1
74 1 13 HIS HA 1 14 VAL H . . 3.220 2.190 2.186 2.198 . 0 0 "[ . 1 . 2]" 1
75 1 13 HIS HA 1 14 VAL HA . . 4.880 4.380 4.376 4.388 . 0 0 "[ . 1 . 2]" 1
76 1 13 HIS HA 1 14 VAL QG . . 4.360 3.818 3.150 4.191 . 0 0 "[ . 1 . 2]" 1
77 1 13 HIS HA 1 21 TYR HB2 . . 4.500 4.377 4.111 4.554 0.054 8 0 "[ . 1 . 2]" 1
78 1 13 HIS HA 1 21 TYR QD . . 4.650 3.204 2.898 3.681 . 0 0 "[ . 1 . 2]" 1
79 1 13 HIS HA 1 22 VAL H . . 4.580 3.939 3.529 4.324 . 0 0 "[ . 1 . 2]" 1
80 1 13 HIS HB2 1 14 VAL H . . 4.480 4.501 4.390 4.624 0.144 8 0 "[ . 1 . 2]" 1
81 1 13 HIS HB2 1 15 TYR QE . . 3.860 3.645 3.235 3.885 0.025 12 0 "[ . 1 . 2]" 1
82 1 13 HIS HB2 1 21 TYR QD . . 4.820 4.788 4.576 4.954 0.134 20 0 "[ . 1 . 2]" 1
83 1 13 HIS HB3 1 14 VAL H . . 4.260 3.653 3.436 3.849 . 0 0 "[ . 1 . 2]" 1
84 1 13 HIS HB3 1 15 TYR QE . . 3.940 2.361 2.010 3.057 . 0 0 "[ . 1 . 2]" 1
85 1 13 HIS HB3 1 21 TYR QD . . 4.120 3.267 2.976 3.477 . 0 0 "[ . 1 . 2]" 1
86 1 13 HIS HD2 1 14 VAL H . . 4.490 4.327 3.946 4.543 0.053 10 0 "[ . 1 . 2]" 1
87 1 13 HIS HD2 1 15 TYR QE . . 4.150 4.148 4.020 4.226 0.076 10 0 "[ . 1 . 2]" 1
88 1 13 HIS HD2 1 21 TYR QE . . 4.570 2.024 1.931 2.296 . 0 0 "[ . 1 . 2]" 1
89 1 13 HIS HD2 1 22 VAL H . . 4.810 4.604 4.223 4.844 0.034 11 0 "[ . 1 . 2]" 1
90 1 13 HIS HD2 1 23 SER HA . . 4.240 3.259 2.829 3.742 . 0 0 "[ . 1 . 2]" 1
91 1 13 HIS HD2 1 23 SER QB . . 4.340 3.391 2.143 3.978 . 0 0 "[ . 1 . 2]" 1
92 1 14 VAL H 1 14 VAL HB . . 3.520 2.696 2.247 3.727 0.207 10 0 "[ . 1 . 2]" 1
93 1 14 VAL H 1 14 VAL QG . . 3.430 2.707 1.933 3.026 . 0 0 "[ . 1 . 2]" 1
94 1 14 VAL H 1 15 TYR H . . 4.590 4.172 4.004 4.453 . 0 0 "[ . 1 . 2]" 1
95 1 14 VAL H 1 21 TYR HB2 . . 4.280 3.561 3.234 3.843 . 0 0 "[ . 1 . 2]" 1
96 1 14 VAL H 1 21 TYR QD . . 4.440 3.425 3.114 3.817 . 0 0 "[ . 1 . 2]" 1
97 1 14 VAL H 1 22 VAL H . . 3.930 2.469 2.163 2.700 . 0 0 "[ . 1 . 2]" 1
98 1 14 VAL H 1 22 VAL QG . . 3.860 3.291 2.681 3.784 . 0 0 "[ . 1 . 2]" 1
99 1 14 VAL H 1 23 SER HA . . 4.440 3.893 3.048 4.282 . 0 0 "[ . 1 . 2]" 1
100 1 14 VAL H 1 24 VAL H . . 4.760 4.361 4.052 4.784 0.024 8 0 "[ . 1 . 2]" 1
101 1 14 VAL H 1 24 VAL MG2 . . 4.150 4.029 3.804 4.190 0.040 7 0 "[ . 1 . 2]" 1
102 1 14 VAL HA 1 14 VAL QG . . 2.990 2.150 1.972 2.507 . 0 0 "[ . 1 . 2]" 1
103 1 14 VAL HA 1 15 TYR H . . 3.190 2.212 2.186 2.233 . 0 0 "[ . 1 . 2]" 1
104 1 14 VAL HA 1 15 TYR QD . . 4.460 3.553 3.146 4.452 . 0 0 "[ . 1 . 2]" 1
105 1 14 VAL HA 1 81 ILE HB . . 4.000 3.179 2.739 3.796 . 0 0 "[ . 1 . 2]" 1
106 1 14 VAL HA 1 81 ILE MG . . 3.800 3.256 2.452 3.510 . 0 0 "[ . 1 . 2]" 1
107 1 14 VAL HA 1 82 TYR HA . . 4.370 3.576 3.284 3.836 . 0 0 "[ . 1 . 2]" 1
108 1 14 VAL HB 1 22 VAL H . . 4.320 3.768 3.318 4.705 0.385 20 0 "[ . 1 . 2]" 1
109 1 14 VAL QG 1 15 TYR H . . 3.680 3.252 3.023 3.546 . 0 0 "[ . 1 . 2]" 1
110 1 14 VAL QG 1 15 TYR HA . . 4.660 3.931 3.774 4.162 . 0 0 "[ . 1 . 2]" 1
111 1 14 VAL QG 1 22 VAL H . . 4.390 3.258 2.140 3.886 . 0 0 "[ . 1 . 2]" 1
112 1 14 VAL QG 1 22 VAL HB . . 3.980 3.615 1.894 4.051 0.071 18 0 "[ . 1 . 2]" 1
113 1 14 VAL QG 1 36 LEU HA . . 4.660 3.927 3.692 4.185 . 0 0 "[ . 1 . 2]" 1
114 1 14 VAL QG 1 81 ILE HB . . 3.740 3.025 2.333 3.597 . 0 0 "[ . 1 . 2]" 1
115 1 14 VAL QG 1 82 TYR HA . . 3.830 3.149 2.429 3.720 . 0 0 "[ . 1 . 2]" 1
116 1 14 VAL QG 1 83 VAL H . . 4.100 3.565 2.825 4.075 . 0 0 "[ . 1 . 2]" 1
117 1 14 VAL QG 1 83 VAL HB . . 3.000 2.642 2.227 3.034 0.034 17 0 "[ . 1 . 2]" 1
118 1 14 VAL QG 1 83 VAL QG . . 2.730 1.929 1.716 2.549 . 0 0 "[ . 1 . 2]" 1
119 1 15 TYR H 1 15 TYR HB3 . . 4.010 3.385 3.352 3.465 . 0 0 "[ . 1 . 2]" 1
120 1 15 TYR H 1 15 TYR QD . . 3.920 2.384 2.126 2.859 . 0 0 "[ . 1 . 2]" 1
121 1 15 TYR H 1 15 TYR QE . . 4.730 4.675 4.380 4.855 0.125 8 0 "[ . 1 . 2]" 1
122 1 15 TYR H 1 81 ILE MG . . 4.580 4.210 3.689 4.486 . 0 0 "[ . 1 . 2]" 1
123 1 15 TYR H 1 82 TYR HA . . 3.670 2.660 2.150 3.131 . 0 0 "[ . 1 . 2]" 1
124 1 15 TYR HA 1 15 TYR QD . . 4.390 2.626 2.407 2.992 . 0 0 "[ . 1 . 2]" 1
125 1 15 TYR HA 1 15 TYR QE . . 4.650 4.531 4.477 4.678 0.028 7 0 "[ . 1 . 2]" 1
126 1 15 TYR HA 1 16 ILE H . . 3.370 2.206 2.188 2.282 . 0 0 "[ . 1 . 2]" 1
127 1 15 TYR HA 1 16 ILE HB . . 4.660 4.661 4.419 4.853 0.193 7 0 "[ . 1 . 2]" 1
128 1 15 TYR HA 1 16 ILE MD . . 4.490 4.219 2.661 4.544 0.054 16 0 "[ . 1 . 2]" 1
129 1 15 TYR HA 1 16 ILE QG . . 4.760 3.575 3.260 4.728 . 0 0 "[ . 1 . 2]" 1
130 1 15 TYR HA 1 17 THR H . . 4.430 4.214 3.997 4.449 0.019 9 0 "[ . 1 . 2]" 1
131 1 15 TYR HA 1 21 TYR HA . . 3.510 2.014 1.950 2.174 . 0 0 "[ . 1 . 2]" 1
132 1 15 TYR HA 1 21 TYR HB2 . . 3.850 2.505 2.235 2.721 . 0 0 "[ . 1 . 2]" 1
133 1 15 TYR HA 1 21 TYR HB3 . . 3.910 2.564 2.083 2.906 . 0 0 "[ . 1 . 2]" 1
134 1 15 TYR HA 1 21 TYR QD . . 4.410 4.340 4.071 4.527 0.117 7 0 "[ . 1 . 2]" 1
135 1 15 TYR HA 1 22 VAL H . . 4.220 3.766 3.600 3.961 . 0 0 "[ . 1 . 2]" 1
136 1 15 TYR HA 1 22 VAL QG . . 4.570 4.339 4.125 4.512 . 0 0 "[ . 1 . 2]" 1
137 1 15 TYR HB2 1 16 ILE H . . 4.830 4.485 4.256 4.614 . 0 0 "[ . 1 . 2]" 1
138 1 15 TYR HB2 1 82 TYR HA . . 4.950 3.057 2.507 3.540 . 0 0 "[ . 1 . 2]" 1
139 1 15 TYR HB2 1 82 TYR QD . . 4.680 2.903 2.324 3.355 . 0 0 "[ . 1 . 2]" 1
140 1 15 TYR HB2 1 82 TYR QE . . 4.690 3.117 2.800 3.418 . 0 0 "[ . 1 . 2]" 1
141 1 15 TYR HB3 1 82 TYR HA . . 4.010 4.152 3.720 4.812 0.802 12 2 "[ . - 1 + . 2]" 1
142 1 15 TYR HB3 1 82 TYR QD . . 3.710 2.840 2.210 3.886 0.176 10 0 "[ . 1 . 2]" 1
143 1 15 TYR QD 1 20 SER H . . 4.550 4.490 4.211 4.599 0.049 10 0 "[ . 1 . 2]" 1
144 1 15 TYR QD 1 21 TYR QD . . 4.540 3.857 3.663 4.239 . 0 0 "[ . 1 . 2]" 1
145 1 15 TYR QD 1 81 ILE H . . 4.840 4.518 2.977 4.860 0.020 20 0 "[ . 1 . 2]" 1
146 1 15 TYR QD 1 82 TYR HA . . 4.810 4.728 4.500 4.881 0.071 7 0 "[ . 1 . 2]" 1
147 1 15 TYR QE 1 21 TYR HB2 . . 4.410 3.382 3.074 3.739 . 0 0 "[ . 1 . 2]" 1
148 1 15 TYR QE 1 21 TYR HB3 . . 4.020 3.659 3.361 4.035 0.015 7 0 "[ . 1 . 2]" 1
149 1 15 TYR QE 1 21 TYR QD . . 3.700 3.657 3.430 3.722 0.022 3 0 "[ . 1 . 2]" 1
150 1 16 ILE H 1 16 ILE HB . . 3.670 2.507 2.302 2.674 . 0 0 "[ . 1 . 2]" 1
151 1 16 ILE H 1 16 ILE MD . . 4.020 2.934 2.074 3.589 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE H 1 16 ILE QG . . 4.040 2.145 1.924 3.396 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE H 1 16 ILE MG . . 4.470 3.735 3.670 3.805 . 0 0 "[ . 1 . 2]" 1
154 1 16 ILE H 1 17 THR H . . 3.750 2.596 2.230 2.815 . 0 0 "[ . 1 . 2]" 1
155 1 16 ILE H 1 20 SER HB3 . . 4.850 4.175 3.822 4.301 . 0 0 "[ . 1 . 2]" 1
156 1 16 ILE H 1 21 TYR HA . . 3.710 2.176 1.905 2.700 . 0 0 "[ . 1 . 2]" 1
157 1 16 ILE H 1 21 TYR HB3 . . 4.500 3.887 3.577 4.137 . 0 0 "[ . 1 . 2]" 1
158 1 16 ILE HA 1 16 ILE MD . . 3.750 3.701 1.890 3.924 0.174 14 0 "[ . 1 . 2]" 1
159 1 16 ILE HA 1 16 ILE QG . . 4.000 2.562 2.461 3.251 . 0 0 "[ . 1 . 2]" 1
160 1 16 ILE HA 1 16 ILE MG . . 3.340 2.327 2.221 2.549 . 0 0 "[ . 1 . 2]" 1
161 1 16 ILE HA 1 82 TYR QD . . 4.800 4.243 3.666 4.827 0.027 13 0 "[ . 1 . 2]" 1
162 1 16 ILE HA 1 83 VAL H . . 4.550 3.020 2.436 3.530 . 0 0 "[ . 1 . 2]" 1
163 1 16 ILE HA 1 83 VAL QG . . 3.320 2.244 1.920 2.683 . 0 0 "[ . 1 . 2]" 1
164 1 16 ILE HA 1 95 PHE QD . . 4.550 4.048 3.284 4.518 . 0 0 "[ . 1 . 2]" 1
165 1 16 ILE HB 1 16 ILE MD . . 3.240 2.234 2.029 3.155 . 0 0 "[ . 1 . 2]" 1
166 1 16 ILE HB 1 17 THR H . . 3.590 2.365 2.254 2.680 . 0 0 "[ . 1 . 2]" 1
167 1 16 ILE HB 1 17 THR HA . . 4.570 4.595 4.515 4.766 0.196 9 0 "[ . 1 . 2]" 1
168 1 16 ILE HB 1 17 THR MG . . 3.750 2.548 2.280 3.260 . 0 0 "[ . 1 . 2]" 1
169 1 16 ILE HB 1 20 SER H . . 4.680 4.700 4.608 4.779 0.099 19 0 "[ . 1 . 2]" 1
170 1 16 ILE HB 1 20 SER HB2 . . 4.010 2.131 1.979 2.297 . 0 0 "[ . 1 . 2]" 1
171 1 16 ILE HB 1 20 SER HB3 . . 4.240 3.069 2.756 3.220 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE HB 1 21 TYR HA . . 4.750 4.018 3.755 4.575 . 0 0 "[ . 1 . 2]" 1
173 1 16 ILE HB 1 83 VAL QG . . 4.520 4.279 3.959 4.474 . 0 0 "[ . 1 . 2]" 1
174 1 16 ILE MD 1 17 THR H . . 4.500 3.910 3.366 4.159 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE MD 1 20 SER HB2 . . 4.460 3.145 2.447 4.173 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE MD 1 20 SER HB3 . . 4.280 2.941 2.256 4.606 0.326 7 0 "[ . 1 . 2]" 1
177 1 16 ILE MD 1 21 TYR HA . . 4.070 2.886 2.217 3.294 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE MD 1 22 VAL H . . 4.520 4.053 3.395 4.356 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE MD 1 22 VAL HB . . 4.020 3.419 2.654 4.169 0.149 10 0 "[ . 1 . 2]" 1
180 1 16 ILE QG 1 17 THR H . . 4.800 3.961 3.702 4.273 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE QG 1 20 SER HB2 . . 4.650 3.947 2.964 4.247 . 0 0 "[ . 1 . 2]" 1
182 1 16 ILE QG 1 20 SER HB3 . . 4.910 4.350 2.978 4.539 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE QG 1 21 TYR HA . . 4.540 2.613 2.156 4.057 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE QG 1 83 VAL QG . . 2.740 2.485 2.110 2.822 0.082 7 0 "[ . 1 . 2]" 1
185 1 16 ILE MG 1 17 THR H . . 4.290 3.384 2.811 3.884 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE MG 1 17 THR MG . . 3.150 2.277 1.835 3.206 0.056 12 0 "[ . 1 . 2]" 1
187 1 16 ILE MG 1 20 SER HB3 . . 4.370 4.201 3.914 4.365 . 0 0 "[ . 1 . 2]" 1
188 1 16 ILE MG 1 95 PHE HB2 . . 4.070 2.777 2.104 3.612 . 0 0 "[ . 1 . 2]" 1
189 1 16 ILE MG 1 95 PHE HB3 . . 4.020 3.344 2.437 4.094 0.074 18 0 "[ . 1 . 2]" 1
190 1 16 ILE MG 1 95 PHE QD . . 4.030 2.391 1.901 3.301 . 0 0 "[ . 1 . 2]" 1
191 1 17 THR H 1 17 THR MG . . 3.870 2.358 2.048 2.673 . 0 0 "[ . 1 . 2]" 1
192 1 17 THR H 1 18 GLU H . . 4.000 3.929 3.845 3.982 . 0 0 "[ . 1 . 2]" 1
193 1 17 THR H 1 20 SER H . . 4.020 2.941 2.794 3.123 . 0 0 "[ . 1 . 2]" 1
194 1 17 THR H 1 20 SER HA . . 4.670 4.382 4.306 4.476 . 0 0 "[ . 1 . 2]" 1
195 1 17 THR HA 1 17 THR MG . . 3.210 2.606 2.396 3.230 0.020 12 0 "[ . 1 . 2]" 1
196 1 17 THR HA 1 18 GLU H . . 2.800 3.163 3.123 3.214 0.414 12 0 "[ . 1 . 2]" 1
197 1 17 THR MG 1 18 GLU H . . 3.760 3.496 1.972 3.596 . 0 0 "[ . 1 . 2]" 1
198 1 17 THR MG 1 20 SER H . . 4.460 4.092 2.596 4.467 0.007 19 0 "[ . 1 . 2]" 1
199 1 17 THR MG 1 20 SER HB2 . . 4.130 2.246 1.961 2.636 . 0 0 "[ . 1 . 2]" 1
200 1 17 THR MG 1 20 SER HB3 . . 4.120 3.305 2.955 3.724 . 0 0 "[ . 1 . 2]" 1
201 1 17 THR MG 1 95 PHE HB2 . . 4.280 2.840 2.090 4.205 . 0 0 "[ . 1 . 2]" 1
202 1 17 THR MG 1 95 PHE HB3 . . 4.780 3.026 2.077 3.882 . 0 0 "[ . 1 . 2]" 1
203 1 17 THR MG 1 96 ALA HA . . 4.460 4.386 4.117 4.486 0.026 20 0 "[ . 1 . 2]" 1
204 1 18 GLU H 1 18 GLU HA . . 2.800 2.880 2.821 2.900 0.100 9 0 "[ . 1 . 2]" 1
205 1 18 GLU H 1 18 GLU QB . . 3.380 2.356 2.219 2.745 . 0 0 "[ . 1 . 2]" 1
206 1 18 GLU H 1 18 GLU QG . . 4.100 3.609 1.931 4.091 . 0 0 "[ . 1 . 2]" 1
207 1 18 GLU H 1 19 HIS H . . 4.400 2.261 2.101 2.977 . 0 0 "[ . 1 . 2]" 1
208 1 18 GLU H 1 20 SER H . . 4.380 3.765 3.641 3.967 . 0 0 "[ . 1 . 2]" 1
209 1 18 GLU HA 1 18 GLU QG . . 3.400 2.540 2.033 3.333 . 0 0 "[ . 1 . 2]" 1
210 1 18 GLU HA 1 19 HIS H . . 3.500 3.572 3.509 3.631 0.131 12 0 "[ . 1 . 2]" 1
211 1 18 GLU HA 1 20 SER H . . 4.530 4.179 4.052 4.321 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLU QB 1 19 HIS H . . 4.380 2.916 1.924 3.568 . 0 0 "[ . 1 . 2]" 1
213 1 18 GLU QB 1 19 HIS HD2 . . 4.560 2.957 2.377 4.012 . 0 0 "[ . 1 . 2]" 1
214 1 18 GLU QB 1 19 HIS HE1 . . 4.920 4.372 3.630 4.707 . 0 0 "[ . 1 . 2]" 1
215 1 18 GLU QG 1 19 HIS H . . 4.360 3.684 1.887 4.354 . 0 0 "[ . 1 . 2]" 1
216 1 18 GLU QG 1 19 HIS HD2 . . 4.670 3.441 2.029 4.451 . 0 0 "[ . 1 . 2]" 1
217 1 18 GLU QG 1 19 HIS HE1 . . 4.590 3.612 3.017 4.606 0.016 18 0 "[ . 1 . 2]" 1
218 1 19 HIS H 1 19 HIS HA . . 2.800 2.926 2.914 2.930 0.130 3 0 "[ . 1 . 2]" 1
219 1 19 HIS H 1 19 HIS HB3 . . 4.180 3.820 3.684 3.884 . 0 0 "[ . 1 . 2]" 1
220 1 19 HIS H 1 19 HIS HD2 . . 4.790 3.495 2.878 3.951 . 0 0 "[ . 1 . 2]" 1
221 1 19 HIS H 1 20 SER H . . 2.600 2.597 2.518 3.166 0.566 12 1 "[ . 1 + . 2]" 1
222 1 19 HIS HA 1 19 HIS HD2 . . 4.690 3.905 2.600 4.691 0.001 15 0 "[ . 1 . 2]" 1
223 1 19 HIS HB3 1 19 HIS HD2 . . 3.940 3.678 3.197 3.939 . 0 0 "[ . 1 . 2]" 1
224 1 19 HIS HB3 1 20 SER H . . 4.530 4.607 4.572 4.663 0.133 7 0 "[ . 1 . 2]" 1
225 1 20 SER H 1 20 SER HB2 . . 3.730 2.973 2.895 3.064 . 0 0 "[ . 1 . 2]" 1
226 1 20 SER H 1 20 SER HB3 . . 3.660 3.892 3.863 3.902 0.242 9 0 "[ . 1 . 2]" 1
227 1 20 SER HB2 1 21 TYR H . . 3.790 3.845 3.764 3.969 0.179 7 0 "[ . 1 . 2]" 1
228 1 20 SER HB3 1 21 TYR H . . 3.750 3.125 2.953 3.314 . 0 0 "[ . 1 . 2]" 1
229 1 21 TYR H 1 21 TYR QD . . 3.960 2.474 1.964 3.209 . 0 0 "[ . 1 . 2]" 1
230 1 21 TYR H 1 21 TYR QE . . 4.810 4.402 4.210 4.613 . 0 0 "[ . 1 . 2]" 1
231 1 21 TYR HA 1 21 TYR QD . . 3.850 3.741 3.700 3.766 . 0 0 "[ . 1 . 2]" 1
232 1 21 TYR HA 1 22 VAL H . . 3.440 2.617 2.539 2.670 . 0 0 "[ . 1 . 2]" 1
233 1 21 TYR HA 1 22 VAL HA . . 4.710 4.517 4.470 4.568 . 0 0 "[ . 1 . 2]" 1
234 1 21 TYR HA 1 22 VAL HB . . 4.710 4.559 4.220 4.868 0.158 17 0 "[ . 1 . 2]" 1
235 1 21 TYR HA 1 22 VAL QG . . 4.000 3.111 2.882 3.574 . 0 0 "[ . 1 . 2]" 1
236 1 21 TYR HB2 1 22 VAL H . . 3.620 2.450 2.335 2.559 . 0 0 "[ . 1 . 2]" 1
237 1 21 TYR HB2 1 22 VAL QG . . 4.660 4.104 3.898 4.299 . 0 0 "[ . 1 . 2]" 1
238 1 21 TYR HB3 1 22 VAL H . . 4.110 3.867 3.797 3.946 . 0 0 "[ . 1 . 2]" 1
239 1 21 TYR QD 1 22 VAL H . . 4.080 2.750 2.524 3.060 . 0 0 "[ . 1 . 2]" 1
240 1 21 TYR QD 1 22 VAL HA . . 4.320 3.722 2.918 4.142 . 0 0 "[ . 1 . 2]" 1
241 1 21 TYR QD 1 22 VAL QG . . 4.480 4.123 3.834 4.266 . 0 0 "[ . 1 . 2]" 1
242 1 21 TYR QD 1 23 SER H . . 4.490 4.136 3.356 4.504 0.014 7 0 "[ . 1 . 2]" 1
243 1 21 TYR QD 1 23 SER QB . . 4.670 4.084 3.523 4.467 . 0 0 "[ . 1 . 2]" 1
244 1 21 TYR QE 1 22 VAL H . . 4.790 4.776 4.556 4.973 0.183 20 0 "[ . 1 . 2]" 1
245 1 21 TYR QE 1 23 SER QB . . 3.850 2.757 2.145 3.150 . 0 0 "[ . 1 . 2]" 1
246 1 22 VAL H 1 22 VAL HB . . 3.760 3.230 2.824 3.508 . 0 0 "[ . 1 . 2]" 1
247 1 22 VAL H 1 22 VAL QG . . 3.260 2.333 2.072 2.658 . 0 0 "[ . 1 . 2]" 1
248 1 22 VAL H 1 23 SER H . . 4.620 4.230 4.104 4.368 . 0 0 "[ . 1 . 2]" 1
249 1 22 VAL HA 1 22 VAL QG . . 3.110 2.293 2.048 2.463 . 0 0 "[ . 1 . 2]" 1
250 1 22 VAL HA 1 23 SER H . . 3.200 2.214 2.186 2.266 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL HA 1 23 SER QB . . 4.320 4.125 3.996 4.197 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL HB 1 23 SER H . . 4.360 4.094 3.903 4.255 . 0 0 "[ . 1 . 2]" 1
253 1 22 VAL HB 1 42 LYS QG . . 3.990 3.911 3.224 4.246 0.256 7 0 "[ . 1 . 2]" 1
254 1 22 VAL QG 1 23 SER H . . 3.800 2.532 2.180 2.802 . 0 0 "[ . 1 . 2]" 1
255 1 22 VAL QG 1 23 SER QB . . 4.740 4.148 3.933 4.339 . 0 0 "[ . 1 . 2]" 1
256 1 22 VAL QG 1 24 VAL HA . . 4.460 4.022 3.535 4.357 . 0 0 "[ . 1 . 2]" 1
257 1 22 VAL QG 1 42 LYS HA . . 4.310 4.026 3.789 4.245 . 0 0 "[ . 1 . 2]" 1
258 1 22 VAL QG 1 42 LYS HB2 . . 3.490 2.357 1.928 2.712 . 0 0 "[ . 1 . 2]" 1
259 1 22 VAL QG 1 42 LYS HB3 . . 3.420 2.108 1.774 2.481 . 0 0 "[ . 1 . 2]" 1
260 1 22 VAL QG 1 42 LYS HE2 . . 3.780 3.532 3.095 3.944 0.164 10 0 "[ . 1 . 2]" 1
261 1 22 VAL QG 1 42 LYS QG . . 3.480 1.815 1.707 1.975 . 0 0 "[ . 1 . 2]" 1
262 1 23 SER H 1 23 SER QB . . 3.570 2.362 2.119 2.638 . 0 0 "[ . 1 . 2]" 1
263 1 23 SER HA 1 24 VAL H . . 3.240 2.277 2.218 2.422 . 0 0 "[ . 1 . 2]" 1
264 1 23 SER HA 1 24 VAL HB . . 4.640 4.584 4.289 4.726 0.086 9 0 "[ . 1 . 2]" 1
265 1 23 SER HA 1 24 VAL MG2 . . 4.140 3.848 3.484 4.043 . 0 0 "[ . 1 . 2]" 1
266 1 23 SER QB 1 24 VAL H . . 4.130 3.569 2.838 3.906 . 0 0 "[ . 1 . 2]" 1
267 1 24 VAL H 1 24 VAL HB . . 3.590 2.498 2.364 2.809 . 0 0 "[ . 1 . 2]" 1
268 1 24 VAL H 1 24 VAL MG1 . . 4.140 3.773 3.724 3.875 . 0 0 "[ . 1 . 2]" 1
269 1 24 VAL H 1 24 VAL MG2 . . 3.370 2.746 2.445 3.255 . 0 0 "[ . 1 . 2]" 1
270 1 24 VAL HA 1 24 VAL MG1 . . 3.160 2.429 2.311 2.502 . 0 0 "[ . 1 . 2]" 1
271 1 24 VAL HA 1 24 VAL MG2 . . 3.220 2.290 2.173 2.406 . 0 0 "[ . 1 . 2]" 1
272 1 24 VAL HA 1 25 LYS H . . 3.350 2.209 2.182 2.317 . 0 0 "[ . 1 . 2]" 1
273 1 24 VAL HA 1 25 LYS HA . . 4.670 4.355 4.327 4.392 . 0 0 "[ . 1 . 2]" 1
274 1 24 VAL HA 1 25 LYS QB . . 4.430 4.039 3.948 4.405 . 0 0 "[ . 1 . 2]" 1
275 1 24 VAL HA 1 38 VAL MG1 . . 4.130 3.422 3.066 3.787 . 0 0 "[ . 1 . 2]" 1
276 1 24 VAL HB 1 25 LYS H . . 4.660 4.286 3.992 4.479 . 0 0 "[ . 1 . 2]" 1
277 1 24 VAL HB 1 35 ILE MD . . 3.760 2.844 2.192 3.193 . 0 0 "[ . 1 . 2]" 1
278 1 24 VAL MG1 1 25 LYS H . . 3.600 2.614 2.050 3.068 . 0 0 "[ . 1 . 2]" 1
279 1 24 VAL MG1 1 35 ILE HA . . 3.210 2.047 1.938 2.197 . 0 0 "[ . 1 . 2]" 1
280 1 24 VAL MG1 1 35 ILE HB . . 4.080 4.029 3.782 4.161 0.081 8 0 "[ . 1 . 2]" 1
281 1 24 VAL MG1 1 35 ILE MD . . 2.960 1.796 1.696 1.894 . 0 0 "[ . 1 . 2]" 1
282 1 24 VAL MG1 1 35 ILE HG13 . . 3.880 3.809 3.476 3.904 0.024 16 0 "[ . 1 . 2]" 1
283 1 24 VAL MG1 1 38 VAL H . . 4.240 4.005 3.779 4.264 0.024 9 0 "[ . 1 . 2]" 1
284 1 24 VAL MG1 1 39 VAL H . . 4.490 3.826 3.666 4.033 . 0 0 "[ . 1 . 2]" 1
285 1 24 VAL MG2 1 25 LYS H . . 4.210 4.065 3.924 4.165 . 0 0 "[ . 1 . 2]" 1
286 1 24 VAL MG2 1 35 ILE HA . . 3.830 3.299 2.961 3.571 . 0 0 "[ . 1 . 2]" 1
287 1 24 VAL MG2 1 38 VAL H . . 4.500 4.270 3.995 4.514 0.014 16 0 "[ . 1 . 2]" 1
288 1 24 VAL MG2 1 38 VAL HB . . 3.530 2.270 1.963 2.547 . 0 0 "[ . 1 . 2]" 1
289 1 24 VAL MG2 1 39 VAL H . . 4.150 2.912 2.632 3.177 . 0 0 "[ . 1 . 2]" 1
290 1 24 VAL MG2 1 39 VAL HA . . 4.310 3.318 3.130 3.556 . 0 0 "[ . 1 . 2]" 1
291 1 24 VAL MG2 1 42 LYS QG . . 3.860 3.706 3.463 3.891 0.031 10 0 "[ . 1 . 2]" 1
292 1 25 LYS H 1 25 LYS QB . . 3.490 2.279 2.166 2.535 . 0 0 "[ . 1 . 2]" 1
293 1 25 LYS H 1 25 LYS QD . . 4.650 4.326 2.809 4.669 0.019 18 0 "[ . 1 . 2]" 1
294 1 25 LYS H 1 25 LYS QG . . 4.080 3.858 2.065 4.006 . 0 0 "[ . 1 . 2]" 1
295 1 25 LYS HA 1 25 LYS QD . . 4.400 3.785 2.315 4.316 . 0 0 "[ . 1 . 2]" 1
296 1 25 LYS HA 1 25 LYS QG . . 3.520 2.389 2.086 3.326 . 0 0 "[ . 1 . 2]" 1
297 1 25 LYS HA 1 26 ALA H . . 3.050 2.224 2.220 2.227 . 0 0 "[ . 1 . 2]" 1
298 1 25 LYS QB 1 25 LYS QE . . 4.330 3.177 2.000 3.615 . 0 0 "[ . 1 . 2]" 1
299 1 25 LYS QB 1 26 ALA H . . 4.630 4.028 3.740 4.060 . 0 0 "[ . 1 . 2]" 1
300 1 25 LYS QE 1 25 LYS QG . . 3.300 2.100 1.956 2.559 . 0 0 "[ . 1 . 2]" 1
301 1 25 LYS QG 1 26 ALA H . . 4.190 3.480 3.253 4.325 0.135 10 0 "[ . 1 . 2]" 1
302 1 26 ALA HA 1 27 LYS H . . 3.340 2.642 2.448 2.664 . 0 0 "[ . 1 . 2]" 1
303 1 26 ALA HA 1 35 ILE MD . . 3.760 3.431 2.482 3.796 0.036 1 0 "[ . 1 . 2]" 1
304 1 26 ALA MB 1 27 LYS H . . 3.020 2.292 2.117 2.666 . 0 0 "[ . 1 . 2]" 1
305 1 26 ALA MB 1 27 LYS HB3 . . 4.790 5.254 5.153 5.432 0.642 9 6 "[ - .* *+1* * . 2]" 1
306 1 26 ALA MB 1 30 SER H . . 4.470 3.874 3.634 4.183 . 0 0 "[ . 1 . 2]" 1
307 1 26 ALA MB 1 30 SER QB . . 3.480 2.074 1.780 2.522 . 0 0 "[ . 1 . 2]" 1
308 1 26 ALA MB 1 35 ILE MD . . 2.930 1.707 1.643 1.838 . 0 0 "[ . 1 . 2]" 1
309 1 27 LYS H 1 27 LYS HB2 . . 4.200 2.591 2.451 2.731 . 0 0 "[ . 1 . 2]" 1
310 1 27 LYS H 1 27 LYS HB3 . . 3.800 3.617 3.558 3.766 . 0 0 "[ . 1 . 2]" 1
311 1 27 LYS H 1 27 LYS HD2 . . 4.700 4.544 3.812 5.247 0.547 13 1 "[ . 1 + . 2]" 1
312 1 27 LYS H 1 27 LYS QG . . 3.740 2.150 1.927 2.583 . 0 0 "[ . 1 . 2]" 1
313 1 27 LYS H 1 30 SER H . . 4.330 3.583 3.105 3.871 . 0 0 "[ . 1 . 2]" 1
314 1 27 LYS H 1 30 SER QB . . 4.000 1.962 1.709 2.327 . 0 0 "[ . 1 . 2]" 1
315 1 27 LYS H 1 35 ILE MD . . 4.180 4.149 3.777 4.263 0.083 10 0 "[ . 1 . 2]" 1
316 1 27 LYS HB2 1 27 LYS HD3 . . 3.840 3.890 3.352 4.245 0.405 7 0 "[ . 1 . 2]" 1
317 1 27 LYS HB2 1 28 VAL QG . . 4.130 4.160 3.991 4.279 0.149 13 0 "[ . 1 . 2]" 1
318 1 27 LYS HB2 1 29 SER H . . 4.200 2.471 2.332 2.695 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS HB2 1 29 SER HB3 . . 4.770 4.752 3.895 5.626 0.856 14 8 "[ **. * *1 *+.* - 2]" 1
320 1 27 LYS HB2 1 30 SER H . . 4.640 2.991 2.687 3.198 . 0 0 "[ . 1 . 2]" 1
321 1 27 LYS HB3 1 27 LYS QE . . 4.560 3.620 2.695 4.090 . 0 0 "[ . 1 . 2]" 1
322 1 27 LYS HB3 1 28 VAL H . . 4.790 2.326 2.253 2.641 . 0 0 "[ . 1 . 2]" 1
323 1 27 LYS HB3 1 28 VAL QG . . 4.340 3.455 3.158 3.739 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS HB3 1 29 SER H . . 4.140 2.833 2.642 2.956 . 0 0 "[ . 1 . 2]" 1
325 1 27 LYS HB3 1 30 SER H . . 4.140 4.278 3.823 4.596 0.456 3 0 "[ . 1 . 2]" 1
326 1 27 LYS HB3 1 30 SER QB . . 3.990 4.076 3.557 4.496 0.506 2 1 "[ + . 1 . 2]" 1
327 1 27 LYS HD2 1 27 LYS QE . . 2.790 2.287 2.182 2.572 . 0 0 "[ . 1 . 2]" 1
328 1 27 LYS QE 1 27 LYS QG . . 2.840 2.126 1.948 2.429 . 0 0 "[ . 1 . 2]" 1
329 1 27 LYS QG 1 29 SER H . . 4.630 4.297 4.204 4.406 . 0 0 "[ . 1 . 2]" 1
330 1 27 LYS QG 1 30 SER H . . 4.610 4.553 4.369 4.630 0.020 12 0 "[ . 1 . 2]" 1
331 1 28 VAL H 1 28 VAL QG . . 3.980 2.128 1.839 2.449 . 0 0 "[ . 1 . 2]" 1
332 1 28 VAL HA 1 28 VAL QG . . 2.980 2.206 2.107 2.385 . 0 0 "[ . 1 . 2]" 1
333 1 28 VAL HA 1 71 ILE MD . . 3.920 2.787 1.788 3.551 . 0 0 "[ . 1 . 2]" 1
334 1 28 VAL HA 1 71 ILE QG . . 3.920 3.300 2.171 3.929 0.009 10 0 "[ . 1 . 2]" 1
335 1 28 VAL HA 1 71 ILE MG . . 3.650 2.682 2.038 3.169 . 0 0 "[ . 1 . 2]" 1
336 1 28 VAL HB 1 29 SER H . . 4.300 4.244 4.104 4.319 0.019 13 0 "[ . 1 . 2]" 1
337 1 28 VAL QG 1 29 SER H . . 3.910 2.600 2.405 2.949 . 0 0 "[ . 1 . 2]" 1
338 1 28 VAL QG 1 29 SER HA . . 3.990 3.676 3.568 3.895 . 0 0 "[ . 1 . 2]" 1
339 1 28 VAL QG 1 29 SER HB2 . . 4.360 3.171 2.639 4.051 . 0 0 "[ . 1 . 2]" 1
340 1 28 VAL QG 1 29 SER HB3 . . 4.060 3.639 2.785 4.216 0.156 16 0 "[ . 1 . 2]" 1
341 1 28 VAL QG 1 30 SER H . . 4.650 4.308 4.067 4.470 . 0 0 "[ . 1 . 2]" 1
342 1 28 VAL QG 1 71 ILE MD . . 3.760 2.875 1.692 3.667 . 0 0 "[ . 1 . 2]" 1
343 1 29 SER H 1 29 SER HB2 . . 4.060 3.087 2.772 3.852 . 0 0 "[ . 1 . 2]" 1
344 1 29 SER H 1 29 SER HB3 . . 3.910 3.212 2.629 3.968 0.058 13 0 "[ . 1 . 2]" 1
345 1 29 SER H 1 30 SER H . . 3.800 2.343 1.972 2.570 . 0 0 "[ . 1 . 2]" 1
346 1 29 SER HA 1 69 LEU QD . . 3.090 2.227 1.816 2.580 . 0 0 "[ . 1 . 2]" 1
347 1 29 SER HB2 1 69 LEU QD . . 4.120 3.592 2.970 3.928 . 0 0 "[ . 1 . 2]" 1
348 1 29 SER HB3 1 69 LEU QD . . 4.020 3.357 2.449 4.000 . 0 0 "[ . 1 . 2]" 1
349 1 30 SER H 1 30 SER QB . . 3.430 2.205 2.030 2.925 . 0 0 "[ . 1 . 2]" 1
350 1 30 SER H 1 69 LEU QD . . 4.380 3.231 2.594 3.668 . 0 0 "[ . 1 . 2]" 1
351 1 30 SER H 1 70 VAL MG2 . . 4.370 4.036 3.726 4.383 0.013 16 0 "[ . 1 . 2]" 1
352 1 30 SER HA 1 31 ILE H . . 3.580 2.360 2.237 2.469 . 0 0 "[ . 1 . 2]" 1
353 1 30 SER QB 1 31 ILE H . . 4.330 3.233 2.581 3.673 . 0 0 "[ . 1 . 2]" 1
354 1 30 SER QB 1 34 GLU HB2 . . 4.620 3.156 2.488 3.877 . 0 0 "[ . 1 . 2]" 1
355 1 30 SER QB 1 70 VAL H . . 4.770 4.494 4.027 4.841 0.071 7 0 "[ . 1 . 2]" 1
356 1 30 SER QB 1 70 VAL MG2 . . 3.470 3.031 2.745 3.441 . 0 0 "[ . 1 . 2]" 1
357 1 31 ILE H 1 31 ILE MD . . 3.930 3.632 3.603 3.668 . 0 0 "[ . 1 . 2]" 1
358 1 31 ILE H 1 31 ILE HG12 . . 3.770 1.975 1.890 2.056 . 0 0 "[ . 1 . 2]" 1
359 1 31 ILE H 1 31 ILE HG13 . . 3.830 2.441 2.338 2.611 . 0 0 "[ . 1 . 2]" 1
360 1 31 ILE H 1 31 ILE MG . . 3.540 2.720 2.501 2.865 . 0 0 "[ . 1 . 2]" 1
361 1 31 ILE H 1 34 GLU H . . 4.780 3.767 3.525 3.992 . 0 0 "[ . 1 . 2]" 1
362 1 31 ILE H 1 34 GLU HB2 . . 4.540 3.021 2.691 3.343 . 0 0 "[ . 1 . 2]" 1
363 1 31 ILE H 1 34 GLU HB3 . . 4.610 4.369 4.032 4.611 0.001 1 0 "[ . 1 . 2]" 1
364 1 31 ILE H 1 34 GLU HG2 . . 4.680 4.061 3.251 4.805 0.125 15 0 "[ . 1 . 2]" 1
365 1 31 ILE H 1 69 LEU QD . . 4.540 3.590 3.310 3.960 . 0 0 "[ . 1 . 2]" 1
366 1 31 ILE H 1 70 VAL MG2 . . 4.850 4.065 3.811 4.646 . 0 0 "[ . 1 . 2]" 1
367 1 31 ILE HA 1 31 ILE MD . . 4.100 4.118 4.109 4.127 0.027 2 0 "[ . 1 . 2]" 1
368 1 31 ILE HA 1 31 ILE MG . . 3.100 2.142 2.091 2.271 . 0 0 "[ . 1 . 2]" 1
369 1 31 ILE HA 1 32 ALA H . . 3.340 2.483 2.457 2.540 . 0 0 "[ . 1 . 2]" 1
370 1 31 ILE HA 1 32 ALA HA . . 4.750 4.274 4.269 4.281 . 0 0 "[ . 1 . 2]" 1
371 1 31 ILE HA 1 32 ALA MB . . 4.000 4.076 4.042 4.101 0.101 11 0 "[ . 1 . 2]" 1
372 1 31 ILE HA 1 69 LEU HA . . 3.690 2.182 1.990 2.493 . 0 0 "[ . 1 . 2]" 1
373 1 31 ILE HA 1 69 LEU QD . . 3.740 2.424 2.142 2.610 . 0 0 "[ . 1 . 2]" 1
374 1 31 ILE HA 1 70 VAL H . . 4.220 3.337 2.878 3.702 . 0 0 "[ . 1 . 2]" 1
375 1 31 ILE HA 1 70 VAL MG2 . . 4.350 2.983 2.492 3.572 . 0 0 "[ . 1 . 2]" 1
376 1 31 ILE HB 1 31 ILE MD . . 2.950 2.114 2.088 2.169 . 0 0 "[ . 1 . 2]" 1
377 1 31 ILE HB 1 32 ALA H . . 3.570 2.447 2.326 2.504 . 0 0 "[ . 1 . 2]" 1
378 1 31 ILE HB 1 32 ALA HA . . 4.720 4.767 4.710 4.792 0.072 3 0 "[ . 1 . 2]" 1
379 1 31 ILE HB 1 33 GLN H . . 3.810 2.799 2.718 2.891 . 0 0 "[ . 1 . 2]" 1
380 1 31 ILE HB 1 67 ASN HA . . 3.610 2.149 1.936 2.391 . 0 0 "[ . 1 . 2]" 1
381 1 31 ILE HB 1 67 ASN HB2 . . 4.620 4.617 4.323 5.022 0.402 4 0 "[ . 1 . 2]" 1
382 1 31 ILE HB 1 67 ASN HB3 . . 5.100 4.537 4.250 4.948 . 0 0 "[ . 1 . 2]" 1
383 1 31 ILE HB 1 69 LEU HA . . 4.850 4.407 4.103 4.647 . 0 0 "[ . 1 . 2]" 1
384 1 31 ILE HB 1 69 LEU QD . . 4.340 4.171 3.868 4.314 . 0 0 "[ . 1 . 2]" 1
385 1 31 ILE MD 1 32 ALA H . . 4.120 4.079 3.947 4.148 0.028 18 0 "[ . 1 . 2]" 1
386 1 31 ILE MD 1 33 GLN H . . 3.700 3.081 2.914 3.253 . 0 0 "[ . 1 . 2]" 1
387 1 31 ILE MD 1 33 GLN HB2 . . 3.670 3.100 2.997 3.224 . 0 0 "[ . 1 . 2]" 1
388 1 31 ILE MD 1 33 GLN HB3 . . 3.330 1.904 1.801 1.985 . 0 0 "[ . 1 . 2]" 1
389 1 31 ILE MD 1 33 GLN HG2 . . 3.280 2.843 2.602 3.009 . 0 0 "[ . 1 . 2]" 1
390 1 31 ILE MD 1 33 GLN HG3 . . 4.040 3.781 3.094 4.042 0.002 16 0 "[ . 1 . 2]" 1
391 1 31 ILE MD 1 34 GLU H . . 3.690 3.098 2.885 3.242 . 0 0 "[ . 1 . 2]" 1
392 1 31 ILE MD 1 34 GLU HB2 . . 4.460 4.364 4.179 4.479 0.019 13 0 "[ . 1 . 2]" 1
393 1 31 ILE MD 1 34 GLU HG2 . . 4.170 3.365 2.727 4.110 . 0 0 "[ . 1 . 2]" 1
394 1 31 ILE MD 1 34 GLU HG3 . . 4.160 3.202 2.600 4.081 . 0 0 "[ . 1 . 2]" 1
395 1 31 ILE MD 1 66 PRO HA . . 4.590 4.508 4.368 4.605 0.015 7 0 "[ . 1 . 2]" 1
396 1 31 ILE MD 1 67 ASN H . . 4.470 4.393 4.246 4.516 0.046 11 0 "[ . 1 . 2]" 1
397 1 31 ILE MD 1 67 ASN HA . . 3.070 2.118 1.949 2.621 . 0 0 "[ . 1 . 2]" 1
398 1 31 ILE MD 1 67 ASN HB2 . . 4.020 4.124 3.319 4.383 0.363 11 0 "[ . 1 . 2]" 1
399 1 31 ILE MD 1 67 ASN HB3 . . 4.320 3.758 3.293 4.494 0.174 13 0 "[ . 1 . 2]" 1
400 1 31 ILE HG12 1 33 GLN HB3 . . 4.070 4.106 4.071 4.143 0.073 13 0 "[ . 1 . 2]" 1
401 1 31 ILE HG12 1 34 GLU H . . 3.830 3.618 3.592 3.659 . 0 0 "[ . 1 . 2]" 1
402 1 31 ILE HG12 1 34 GLU HG2 . . 3.710 3.504 2.544 4.333 0.623 18 1 "[ . 1 . + 2]" 1
403 1 31 ILE HG13 1 33 GLN H . . 4.210 3.297 3.212 3.407 . 0 0 "[ . 1 . 2]" 1
404 1 31 ILE HG13 1 33 GLN HG2 . . 4.570 4.451 3.909 4.647 0.077 12 0 "[ . 1 . 2]" 1
405 1 31 ILE HG13 1 33 GLN HG3 . . 4.880 4.744 4.008 4.937 0.057 7 0 "[ . 1 . 2]" 1
406 1 31 ILE HG13 1 34 GLU H . . 3.640 1.927 1.904 1.949 . 0 0 "[ . 1 . 2]" 1
407 1 31 ILE HG13 1 34 GLU HB2 . . 4.160 2.864 2.728 2.990 . 0 0 "[ . 1 . 2]" 1
408 1 31 ILE HG13 1 34 GLU HB3 . . 4.200 4.250 4.219 4.303 0.103 13 0 "[ . 1 . 2]" 1
409 1 31 ILE HG13 1 34 GLU HG2 . . 3.710 2.988 1.991 3.887 0.177 18 0 "[ . 1 . 2]" 1
410 1 31 ILE MG 1 32 ALA H . . 3.570 3.544 3.482 3.581 0.011 8 0 "[ . 1 . 2]" 1
411 1 31 ILE MG 1 33 GLN H . . 4.480 4.399 4.336 4.472 . 0 0 "[ . 1 . 2]" 1
412 1 31 ILE MG 1 33 GLN HB3 . . 4.490 4.496 4.428 4.560 0.070 4 0 "[ . 1 . 2]" 1
413 1 31 ILE MG 1 67 ASN HA . . 3.380 2.224 1.976 2.509 . 0 0 "[ . 1 . 2]" 1
414 1 31 ILE MG 1 67 ASN HB2 . . 4.090 3.431 2.929 4.342 0.252 4 0 "[ . 1 . 2]" 1
415 1 31 ILE MG 1 67 ASN HB3 . . 4.640 3.456 2.882 4.152 . 0 0 "[ . 1 . 2]" 1
416 1 31 ILE MG 1 68 ASP H . . 4.760 4.250 3.738 4.590 . 0 0 "[ . 1 . 2]" 1
417 1 31 ILE MG 1 69 LEU HA . . 3.390 3.135 2.821 3.389 . 0 0 "[ . 1 . 2]" 1
418 1 32 ALA H 1 32 ALA MB . . 2.900 2.047 1.935 2.156 . 0 0 "[ . 1 . 2]" 1
419 1 32 ALA H 1 33 GLN H . . 4.210 2.675 2.580 2.750 . 0 0 "[ . 1 . 2]" 1
420 1 32 ALA H 1 66 PRO HA . . 4.690 4.285 4.145 4.449 . 0 0 "[ . 1 . 2]" 1
421 1 32 ALA H 1 67 ASN HA . . 4.520 3.878 3.438 4.175 . 0 0 "[ . 1 . 2]" 1
422 1 32 ALA H 1 68 ASP H . . 4.640 3.649 2.793 4.199 . 0 0 "[ . 1 . 2]" 1
423 1 32 ALA H 1 68 ASP HB3 . . 4.850 4.214 3.537 4.821 . 0 0 "[ . 1 . 2]" 1
424 1 32 ALA H 1 69 LEU HA . . 4.250 3.615 3.399 3.886 . 0 0 "[ . 1 . 2]" 1
425 1 32 ALA H 1 69 LEU QD . . 4.520 4.349 4.091 4.514 . 0 0 "[ . 1 . 2]" 1
426 1 32 ALA H 1 70 VAL H . . 4.620 4.238 3.123 4.539 . 0 0 "[ . 1 . 2]" 1
427 1 32 ALA H 1 70 VAL MG1 . . 3.840 3.302 2.780 3.805 . 0 0 "[ . 1 . 2]" 1
428 1 32 ALA H 1 70 VAL MG2 . . 3.790 3.096 2.522 3.602 . 0 0 "[ . 1 . 2]" 1
429 1 32 ALA HA 1 34 GLU H . . 4.550 4.194 4.061 4.344 . 0 0 "[ . 1 . 2]" 1
430 1 32 ALA HA 1 35 ILE H . . 4.150 3.347 3.151 3.467 . 0 0 "[ . 1 . 2]" 1
431 1 32 ALA HA 1 35 ILE HB . . 3.570 3.167 2.811 3.310 . 0 0 "[ . 1 . 2]" 1
432 1 32 ALA HA 1 35 ILE MD . . 4.420 4.196 3.972 4.479 0.059 11 0 "[ . 1 . 2]" 1
433 1 32 ALA HA 1 35 ILE HG12 . . 3.940 2.592 2.355 2.893 . 0 0 "[ . 1 . 2]" 1
434 1 32 ALA HA 1 35 ILE HG13 . . 4.450 3.205 2.627 3.459 . 0 0 "[ . 1 . 2]" 1
435 1 32 ALA HA 1 35 ILE MG . . 4.460 4.416 4.134 4.513 0.053 6 0 "[ . 1 . 2]" 1
436 1 32 ALA HA 1 52 LEU QD . . 3.430 3.031 2.249 3.321 . 0 0 "[ . 1 . 2]" 1
437 1 32 ALA HA 1 70 VAL HB . . 4.400 3.976 3.852 4.127 . 0 0 "[ . 1 . 2]" 1
438 1 32 ALA HA 1 70 VAL MG1 . . 2.930 1.914 1.770 2.216 . 0 0 "[ . 1 . 2]" 1
439 1 32 ALA HA 1 70 VAL MG2 . . 3.190 2.173 1.866 2.382 . 0 0 "[ . 1 . 2]" 1
440 1 32 ALA MB 1 33 GLN H . . 3.230 2.612 2.551 2.745 . 0 0 "[ . 1 . 2]" 1
441 1 32 ALA MB 1 33 GLN HA . . 4.280 3.703 3.666 3.767 . 0 0 "[ . 1 . 2]" 1
442 1 32 ALA MB 1 52 LEU HB2 . . 4.130 2.624 2.331 2.861 . 0 0 "[ . 1 . 2]" 1
443 1 32 ALA MB 1 52 LEU HB3 . . 4.400 3.191 2.760 3.616 . 0 0 "[ . 1 . 2]" 1
444 1 32 ALA MB 1 52 LEU QD . . 2.720 1.725 1.662 1.905 . 0 0 "[ . 1 . 2]" 1
445 1 32 ALA MB 1 66 PRO HA . . 3.180 2.667 2.487 2.871 . 0 0 "[ . 1 . 2]" 1
446 1 32 ALA MB 1 66 PRO HB3 . . 4.660 4.516 4.289 4.710 0.050 13 0 "[ . 1 . 2]" 1
447 1 32 ALA MB 1 68 ASP H . . 3.700 3.417 2.827 3.754 0.054 13 0 "[ . 1 . 2]" 1
448 1 32 ALA MB 1 68 ASP HB3 . . 3.720 3.122 2.366 3.699 . 0 0 "[ . 1 . 2]" 1
449 1 32 ALA MB 1 70 VAL H . . 4.530 4.484 3.323 4.627 0.097 7 0 "[ . 1 . 2]" 1
450 1 32 ALA MB 1 70 VAL MG1 . . 2.960 2.031 1.913 2.162 . 0 0 "[ . 1 . 2]" 1
451 1 32 ALA MB 1 70 VAL MG2 . . 3.400 3.241 2.912 3.513 0.113 16 0 "[ . 1 . 2]" 1
452 1 33 GLN H 1 33 GLN HB2 . . 3.390 2.586 2.516 2.727 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLN H 1 33 GLN HB3 . . 3.500 2.378 2.250 2.448 . 0 0 "[ . 1 . 2]" 1
454 1 33 GLN H 1 34 GLU H . . 4.080 2.877 2.786 2.979 . 0 0 "[ . 1 . 2]" 1
455 1 33 GLN H 1 66 PRO HA . . 3.490 2.865 2.504 3.070 . 0 0 "[ . 1 . 2]" 1
456 1 33 GLN H 1 66 PRO HB3 . . 4.310 4.322 4.255 4.365 0.055 16 0 "[ . 1 . 2]" 1
457 1 33 GLN HA 1 33 GLN HG3 . . 3.530 2.852 2.694 3.336 . 0 0 "[ . 1 . 2]" 1
458 1 33 GLN HA 1 36 LEU H . . 4.010 3.060 2.959 3.167 . 0 0 "[ . 1 . 2]" 1
459 1 33 GLN HA 1 36 LEU HB2 . . 3.520 3.176 2.136 3.401 . 0 0 "[ . 1 . 2]" 1
460 1 33 GLN HA 1 36 LEU HB3 . . 3.550 2.437 2.194 3.591 0.041 15 0 "[ . 1 . 2]" 1
461 1 33 GLN HA 1 36 LEU QD . . 3.550 3.309 2.990 3.455 . 0 0 "[ . 1 . 2]" 1
462 1 33 GLN HA 1 66 PRO HA . . 4.010 3.569 3.129 3.844 . 0 0 "[ . 1 . 2]" 1
463 1 33 GLN HB2 1 34 GLU H . . 4.500 4.052 3.973 4.101 . 0 0 "[ . 1 . 2]" 1
464 1 33 GLN HB2 1 36 LEU QD . . 4.670 4.415 4.126 4.593 . 0 0 "[ . 1 . 2]" 1
465 1 33 GLN HB2 1 66 PRO HA . . 3.640 2.956 2.387 3.351 . 0 0 "[ . 1 . 2]" 1
466 1 33 GLN HB3 1 34 GLU H . . 4.090 2.735 2.602 2.806 . 0 0 "[ . 1 . 2]" 1
467 1 33 GLN HB3 1 66 PRO HA . . 4.190 4.132 3.655 4.260 0.070 15 0 "[ . 1 . 2]" 1
468 1 33 GLN HE21 1 66 PRO HB3 . . 4.090 3.667 2.744 4.440 0.350 18 0 "[ . 1 . 2]" 1
469 1 33 GLN HE22 1 36 LEU QD . . 4.310 3.166 2.411 4.666 0.356 7 0 "[ . 1 . 2]" 1
470 1 33 GLN HG2 1 34 GLU H . . 4.830 4.084 3.383 4.398 . 0 0 "[ . 1 . 2]" 1
471 1 33 GLN HG2 1 37 LYS HG2 . . 4.890 4.259 3.492 4.920 0.030 15 0 "[ . 1 . 2]" 1
472 1 33 GLN HG3 1 34 GLU H . . 4.550 3.678 3.155 3.849 . 0 0 "[ . 1 . 2]" 1
473 1 33 GLN HG3 1 37 LYS QD . . 4.600 4.674 4.646 4.727 0.127 16 0 "[ . 1 . 2]" 1
474 1 33 GLN HG3 1 37 LYS HG2 . . 4.760 3.028 2.829 3.725 . 0 0 "[ . 1 . 2]" 1
475 1 34 GLU H 1 34 GLU HB2 . . 3.530 2.307 2.257 2.364 . 0 0 "[ . 1 . 2]" 1
476 1 34 GLU H 1 34 GLU HB3 . . 3.700 3.520 3.503 3.534 . 0 0 "[ . 1 . 2]" 1
477 1 34 GLU H 1 34 GLU HG2 . . 3.640 2.995 2.436 3.678 0.038 2 0 "[ . 1 . 2]" 1
478 1 34 GLU H 1 34 GLU HG3 . . 3.870 2.912 2.419 3.733 . 0 0 "[ . 1 . 2]" 1
479 1 34 GLU H 1 35 ILE H . . 3.740 2.706 2.657 2.835 . 0 0 "[ . 1 . 2]" 1
480 1 34 GLU H 1 35 ILE HB . . 5.170 5.141 4.945 5.207 0.037 19 0 "[ . 1 . 2]" 1
481 1 34 GLU H 1 35 ILE HG12 . . 4.430 3.795 3.576 4.115 . 0 0 "[ . 1 . 2]" 1
482 1 34 GLU H 1 36 LEU H . . 4.680 4.325 4.038 4.489 . 0 0 "[ . 1 . 2]" 1
483 1 34 GLU HA 1 34 GLU HG2 . . 3.220 2.392 2.215 2.897 . 0 0 "[ . 1 . 2]" 1
484 1 34 GLU HA 1 34 GLU HG3 . . 3.560 3.302 2.762 3.642 0.082 20 0 "[ . 1 . 2]" 1
485 1 34 GLU HA 1 37 LYS H . . 3.980 3.950 3.793 4.012 0.032 14 0 "[ . 1 . 2]" 1
486 1 34 GLU HA 1 37 LYS HB3 . . 4.040 4.125 4.071 4.164 0.124 16 0 "[ . 1 . 2]" 1
487 1 34 GLU HA 1 37 LYS QD . . 3.900 3.613 3.158 3.800 . 0 0 "[ . 1 . 2]" 1
488 1 34 GLU HA 1 37 LYS QE . . 4.580 2.314 1.974 3.245 . 0 0 "[ . 1 . 2]" 1
489 1 34 GLU HA 1 37 LYS HG2 . . 4.320 2.009 1.967 2.151 . 0 0 "[ . 1 . 2]" 1
490 1 34 GLU HA 1 37 LYS HG3 . . 4.360 3.011 2.863 3.543 . 0 0 "[ . 1 . 2]" 1
491 1 34 GLU HB2 1 34 GLU HG2 . . 3.010 2.870 2.477 3.056 0.046 9 0 "[ . 1 . 2]" 1
492 1 34 GLU HB2 1 35 ILE H . . 3.920 3.248 2.765 3.434 . 0 0 "[ . 1 . 2]" 1
493 1 34 GLU HB2 1 35 ILE MD . . 4.500 3.066 2.843 3.420 . 0 0 "[ . 1 . 2]" 1
494 1 34 GLU HB2 1 35 ILE HG12 . . 4.530 3.269 3.064 3.491 . 0 0 "[ . 1 . 2]" 1
495 1 34 GLU HB3 1 34 GLU HG3 . . 2.940 2.870 2.477 3.056 0.116 18 0 "[ . 1 . 2]" 1
496 1 34 GLU HB3 1 35 ILE H . . 4.090 3.957 3.433 4.111 0.021 4 0 "[ . 1 . 2]" 1
497 1 34 GLU HB3 1 35 ILE MD . . 4.510 3.068 2.771 3.442 . 0 0 "[ . 1 . 2]" 1
498 1 34 GLU HG2 1 35 ILE H . . 4.750 4.945 4.745 5.317 0.567 2 3 "[ + .* - 1 . 2]" 1
499 1 35 ILE H 1 35 ILE HB . . 3.330 2.631 2.534 2.705 . 0 0 "[ . 1 . 2]" 1
500 1 35 ILE H 1 35 ILE MD . . 3.700 3.054 2.500 3.323 . 0 0 "[ . 1 . 2]" 1
501 1 35 ILE H 1 35 ILE HG12 . . 3.540 2.182 1.922 2.436 . 0 0 "[ . 1 . 2]" 1
502 1 35 ILE H 1 35 ILE HG13 . . 3.840 3.680 3.451 3.858 0.018 8 0 "[ . 1 . 2]" 1
503 1 35 ILE H 1 35 ILE MG . . 3.800 3.798 3.710 3.837 0.037 4 0 "[ . 1 . 2]" 1
504 1 35 ILE H 1 36 LEU H . . 3.770 2.233 2.056 2.586 . 0 0 "[ . 1 . 2]" 1
505 1 35 ILE H 1 37 LYS H . . 4.750 3.638 3.441 4.681 . 0 0 "[ . 1 . 2]" 1
506 1 35 ILE H 1 52 LEU QD . . 4.490 3.692 3.332 4.060 . 0 0 "[ . 1 . 2]" 1
507 1 35 ILE HA 1 35 ILE MD . . 2.820 1.976 1.943 2.112 . 0 0 "[ . 1 . 2]" 1
508 1 35 ILE HA 1 35 ILE HG12 . . 3.730 3.323 3.217 3.417 . 0 0 "[ . 1 . 2]" 1
509 1 35 ILE HA 1 35 ILE HG13 . . 3.960 3.806 3.735 3.893 . 0 0 "[ . 1 . 2]" 1
510 1 35 ILE HA 1 35 ILE MG . . 3.040 2.234 2.143 2.330 . 0 0 "[ . 1 . 2]" 1
511 1 35 ILE HA 1 38 VAL H . . 4.040 3.188 3.143 3.364 . 0 0 "[ . 1 . 2]" 1
512 1 35 ILE HA 1 38 VAL HB . . 3.850 2.760 2.537 2.919 . 0 0 "[ . 1 . 2]" 1
513 1 35 ILE HA 1 38 VAL MG2 . . 3.630 2.488 2.115 2.626 . 0 0 "[ . 1 . 2]" 1
514 1 35 ILE HA 1 39 VAL H . . 4.660 3.715 3.573 3.904 . 0 0 "[ . 1 . 2]" 1
515 1 35 ILE HB 1 35 ILE MD . . 3.310 3.207 3.195 3.215 . 0 0 "[ . 1 . 2]" 1
516 1 35 ILE HB 1 36 LEU H . . 3.370 2.573 2.431 2.793 . 0 0 "[ . 1 . 2]" 1
517 1 35 ILE HB 1 52 LEU QD . . 3.420 2.924 1.948 3.234 . 0 0 "[ . 1 . 2]" 1
518 1 35 ILE HB 1 70 VAL MG1 . . 3.530 3.081 2.562 3.448 . 0 0 "[ . 1 . 2]" 1
519 1 35 ILE HB 1 70 VAL MG2 . . 3.680 3.584 3.087 3.744 0.064 20 0 "[ . 1 . 2]" 1
520 1 35 ILE MD 1 36 LEU H . . 4.520 4.440 4.302 4.572 0.052 20 0 "[ . 1 . 2]" 1
521 1 35 ILE MD 1 70 VAL HB . . 4.220 4.216 4.067 4.297 0.077 16 0 "[ . 1 . 2]" 1
522 1 35 ILE HG12 1 35 ILE MG . . 3.170 3.220 3.204 3.235 0.065 20 0 "[ . 1 . 2]" 1
523 1 35 ILE HG12 1 36 LEU H . . 4.520 3.837 3.689 4.055 . 0 0 "[ . 1 . 2]" 1
524 1 35 ILE HG12 1 70 VAL MG1 . . 3.480 3.137 2.439 3.490 0.010 11 0 "[ . 1 . 2]" 1
525 1 35 ILE HG12 1 70 VAL MG2 . . 3.170 2.104 1.947 2.565 . 0 0 "[ . 1 . 2]" 1
526 1 35 ILE HG13 1 36 LEU H . . 4.930 4.772 4.511 5.008 0.078 15 0 "[ . 1 . 2]" 1
527 1 35 ILE HG13 1 70 VAL MG1 . . 3.270 2.595 1.969 2.942 . 0 0 "[ . 1 . 2]" 1
528 1 35 ILE HG13 1 70 VAL MG2 . . 3.100 1.958 1.827 2.098 . 0 0 "[ . 1 . 2]" 1
529 1 35 ILE MG 1 36 LEU H . . 3.820 3.753 3.620 3.912 0.092 9 0 "[ . 1 . 2]" 1
530 1 35 ILE MG 1 38 VAL H . . 4.170 4.194 4.071 4.261 0.091 15 0 "[ . 1 . 2]" 1
531 1 35 ILE MG 1 38 VAL HB . . 4.140 3.178 2.935 3.307 . 0 0 "[ . 1 . 2]" 1
532 1 35 ILE MG 1 39 VAL H . . 4.550 3.293 3.062 3.474 . 0 0 "[ . 1 . 2]" 1
533 1 36 LEU H 1 36 LEU HB2 . . 3.440 2.298 2.036 2.359 . 0 0 "[ . 1 . 2]" 1
534 1 36 LEU H 1 36 LEU HB3 . . 3.420 2.602 2.514 3.350 . 0 0 "[ . 1 . 2]" 1
535 1 36 LEU H 1 36 LEU QD . . 3.710 3.550 3.364 3.594 . 0 0 "[ . 1 . 2]" 1
536 1 36 LEU H 1 37 LYS H . . 3.770 2.780 2.694 3.051 . 0 0 "[ . 1 . 2]" 1
537 1 36 LEU H 1 38 VAL MG2 . . 4.520 4.733 4.669 4.770 0.250 4 0 "[ . 1 . 2]" 1
538 1 36 LEU H 1 52 LEU QD . . 3.650 2.586 2.384 2.906 . 0 0 "[ . 1 . 2]" 1
539 1 36 LEU HA 1 36 LEU QD . . 2.930 2.220 1.768 2.360 . 0 0 "[ . 1 . 2]" 1
540 1 36 LEU HA 1 36 LEU HG . . 3.820 2.860 2.812 2.999 . 0 0 "[ . 1 . 2]" 1
541 1 36 LEU HA 1 38 VAL H . . 4.760 3.977 3.878 4.036 . 0 0 "[ . 1 . 2]" 1
542 1 36 LEU HA 1 39 VAL H . . 3.700 3.357 3.092 3.548 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU HA 1 39 VAL HB . . 3.160 2.431 2.299 2.590 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU HA 1 39 VAL MG2 . . 3.300 3.100 2.854 3.290 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU HA 1 52 LEU QD . . 3.820 2.739 2.456 3.021 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU HB2 1 36 LEU QD . . 2.990 2.101 2.051 2.463 . 0 0 "[ . 1 . 2]" 1
547 1 36 LEU HB2 1 37 LYS H . . 3.660 3.843 2.736 3.950 0.290 3 0 "[ . 1 . 2]" 1
548 1 36 LEU HB3 1 36 LEU QD . . 3.030 2.206 2.035 2.315 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU HB3 1 37 LYS H . . 4.030 2.710 2.485 2.785 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU QD 1 37 LYS H . . 4.180 4.009 3.822 4.044 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU QD 1 39 VAL HB . . 3.420 3.358 2.818 3.443 0.023 19 0 "[ . 1 . 2]" 1
552 1 36 LEU QD 1 40 ALA MB . . 3.590 3.327 2.937 3.392 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU QD 1 47 GLU HA . . 4.160 2.671 2.297 2.799 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU QD 1 47 GLU HB2 . . 4.360 2.090 1.921 2.264 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU QD 1 47 GLU HB3 . . 4.570 3.345 2.722 3.545 . 0 0 "[ . 1 . 2]" 1
556 1 36 LEU QD 1 47 GLU QG . . 3.550 3.511 3.419 3.536 . 0 0 "[ . 1 . 2]" 1
557 1 36 LEU QD 1 50 LEU H . . 4.210 3.016 2.793 3.205 . 0 0 "[ . 1 . 2]" 1
558 1 36 LEU QD 1 50 LEU HA . . 4.140 3.530 3.352 3.797 . 0 0 "[ . 1 . 2]" 1
559 1 36 LEU QD 1 50 LEU HB2 . . 3.270 2.051 1.795 2.287 . 0 0 "[ . 1 . 2]" 1
560 1 36 LEU QD 1 50 LEU HB3 . . 3.450 1.992 1.855 2.318 . 0 0 "[ . 1 . 2]" 1
561 1 36 LEU QD 1 50 LEU HG . . 4.600 3.749 3.442 3.965 . 0 0 "[ . 1 . 2]" 1
562 1 36 LEU QD 1 51 ALA H . . 4.050 2.406 2.207 2.841 . 0 0 "[ . 1 . 2]" 1
563 1 36 LEU QD 1 51 ALA HA . . 3.400 2.198 1.960 2.536 . 0 0 "[ . 1 . 2]" 1
564 1 36 LEU QD 1 51 ALA MB . . 3.750 3.245 3.064 3.548 . 0 0 "[ . 1 . 2]" 1
565 1 36 LEU QD 1 52 LEU H . . 3.780 3.073 2.805 3.365 . 0 0 "[ . 1 . 2]" 1
566 1 36 LEU HG 1 37 LYS H . . 4.460 4.186 4.068 4.846 0.386 15 0 "[ . 1 . 2]" 1
567 1 36 LEU HG 1 47 GLU HA . . 4.770 2.390 1.984 4.837 0.067 15 0 "[ . 1 . 2]" 1
568 1 36 LEU HG 1 47 GLU HB2 . . 3.710 2.484 2.060 4.185 0.475 15 0 "[ . 1 . 2]" 1
569 1 37 LYS H 1 37 LYS HB2 . . 3.410 3.542 3.538 3.545 0.135 3 0 "[ . 1 . 2]" 1
570 1 37 LYS H 1 37 LYS HB3 . . 3.170 2.499 2.400 2.533 . 0 0 "[ . 1 . 2]" 1
571 1 37 LYS H 1 37 LYS QD . . 4.240 4.049 3.983 4.151 . 0 0 "[ . 1 . 2]" 1
572 1 37 LYS H 1 37 LYS QE . . 4.610 4.367 4.260 4.624 0.014 15 0 "[ . 1 . 2]" 1
573 1 37 LYS H 1 37 LYS HG2 . . 3.560 2.777 2.442 2.913 . 0 0 "[ . 1 . 2]" 1
574 1 37 LYS H 1 37 LYS HG3 . . 4.330 2.292 2.149 2.996 . 0 0 "[ . 1 . 2]" 1
575 1 37 LYS H 1 38 VAL H . . 3.670 2.635 2.579 2.871 . 0 0 "[ . 1 . 2]" 1
576 1 37 LYS H 1 38 VAL HB . . 4.660 4.985 4.952 5.159 0.499 15 0 "[ . 1 . 2]" 1
577 1 37 LYS H 1 38 VAL MG2 . . 4.210 3.717 3.596 4.178 . 0 0 "[ . 1 . 2]" 1
578 1 37 LYS H 1 39 VAL H . . 4.720 4.454 4.263 4.781 0.061 15 0 "[ . 1 . 2]" 1
579 1 37 LYS HA 1 37 LYS QD . . 3.830 3.933 3.860 4.181 0.351 15 0 "[ . 1 . 2]" 1
580 1 37 LYS HA 1 37 LYS HG3 . . 3.610 3.557 3.547 3.592 . 0 0 "[ . 1 . 2]" 1
581 1 37 LYS HA 1 40 ALA H . . 4.060 4.038 3.905 4.137 0.077 15 0 "[ . 1 . 2]" 1
582 1 37 LYS HA 1 40 ALA MB . . 3.050 2.740 2.557 2.875 . 0 0 "[ . 1 . 2]" 1
583 1 37 LYS HA 1 47 GLU HB2 . . 4.090 2.984 2.751 4.108 0.018 15 0 "[ . 1 . 2]" 1
584 1 37 LYS HA 1 47 GLU HB3 . . 4.170 2.023 1.937 2.904 . 0 0 "[ . 1 . 2]" 1
585 1 37 LYS HA 1 47 GLU QG . . 3.420 3.180 3.024 3.454 0.034 15 0 "[ . 1 . 2]" 1
586 1 37 LYS HB2 1 37 LYS QE . . 4.360 3.943 3.701 4.048 . 0 0 "[ . 1 . 2]" 1
587 1 37 LYS HB2 1 38 VAL H . . 3.860 4.057 4.028 4.085 0.225 20 0 "[ . 1 . 2]" 1
588 1 37 LYS HB2 1 38 VAL HA . . 4.700 4.708 4.685 4.740 0.040 4 0 "[ . 1 . 2]" 1
589 1 37 LYS HB2 1 38 VAL MG2 . . 3.960 4.020 3.998 4.063 0.103 8 0 "[ . 1 . 2]" 1
590 1 37 LYS HB3 1 37 LYS QD . . 3.360 3.064 2.771 3.137 . 0 0 "[ . 1 . 2]" 1
591 1 37 LYS HB3 1 37 LYS QE . . 4.810 4.263 4.094 4.523 . 0 0 "[ . 1 . 2]" 1
592 1 37 LYS HB3 1 38 VAL H . . 4.050 4.144 4.110 4.196 0.146 20 0 "[ . 1 . 2]" 1
593 1 37 LYS HB3 1 38 VAL MG2 . . 4.210 4.445 4.406 4.563 0.353 15 0 "[ . 1 . 2]" 1
594 1 37 LYS QD 1 38 VAL H . . 4.820 3.485 3.123 4.330 . 0 0 "[ . 1 . 2]" 1
595 1 37 LYS QE 1 37 LYS HG2 . . 2.890 2.426 2.265 2.830 . 0 0 "[ . 1 . 2]" 1
596 1 37 LYS QE 1 37 LYS HG3 . . 3.400 2.446 2.222 2.587 . 0 0 "[ . 1 . 2]" 1
597 1 37 LYS QE 1 38 VAL MG2 . . 4.510 1.872 1.728 2.118 . 0 0 "[ . 1 . 2]" 1
598 1 37 LYS HG2 1 38 VAL H . . 4.250 3.736 3.235 3.861 . 0 0 "[ . 1 . 2]" 1
599 1 37 LYS HG3 1 38 VAL H . . 4.920 2.073 2.007 2.138 . 0 0 "[ . 1 . 2]" 1
600 1 37 LYS HG3 1 38 VAL HA . . 4.860 3.955 3.526 4.073 . 0 0 "[ . 1 . 2]" 1
601 1 38 VAL H 1 38 VAL HB . . 3.200 2.515 2.447 2.537 . 0 0 "[ . 1 . 2]" 1
602 1 38 VAL H 1 38 VAL MG1 . . 3.630 3.739 3.728 3.749 0.119 12 0 "[ . 1 . 2]" 1
603 1 38 VAL H 1 38 VAL MG2 . . 2.770 2.004 1.928 2.263 . 0 0 "[ . 1 . 2]" 1
604 1 38 VAL H 1 39 VAL H . . 3.550 2.533 2.379 2.683 . 0 0 "[ . 1 . 2]" 1
605 1 38 VAL H 1 39 VAL HB . . 4.540 4.480 4.399 4.561 0.021 15 0 "[ . 1 . 2]" 1
606 1 38 VAL H 1 39 VAL MG2 . . 4.130 3.916 3.715 4.149 0.019 15 0 "[ . 1 . 2]" 1
607 1 38 VAL H 1 40 ALA H . . 4.640 3.961 3.921 4.025 . 0 0 "[ . 1 . 2]" 1
608 1 38 VAL H 1 41 GLU H . . 4.840 4.777 4.732 4.836 . 0 0 "[ . 1 . 2]" 1
609 1 38 VAL HA 1 38 VAL MG1 . . 2.870 2.253 2.199 2.364 . 0 0 "[ . 1 . 2]" 1
610 1 38 VAL HA 1 38 VAL MG2 . . 2.650 2.529 2.417 2.555 . 0 0 "[ . 1 . 2]" 1
611 1 38 VAL HA 1 40 ALA MB . . 4.570 4.598 4.543 4.694 0.124 15 0 "[ . 1 . 2]" 1
612 1 38 VAL HA 1 41 GLU H . . 3.830 3.545 3.436 3.727 . 0 0 "[ . 1 . 2]" 1
613 1 38 VAL HA 1 41 GLU QB . . 3.480 3.391 3.267 3.525 0.045 15 0 "[ . 1 . 2]" 1
614 1 38 VAL HA 1 41 GLU HG2 . . 4.220 3.983 3.818 4.253 0.033 15 0 "[ . 1 . 2]" 1
615 1 38 VAL HA 1 41 GLU HG3 . . 4.040 2.611 2.434 3.193 . 0 0 "[ . 1 . 2]" 1
616 1 38 VAL HA 1 42 LYS H . . 4.430 4.313 4.130 4.461 0.031 8 0 "[ . 1 . 2]" 1
617 1 38 VAL HA 1 42 LYS HB2 . . 5.340 5.175 4.895 5.372 0.032 17 0 "[ . 1 . 2]" 1
618 1 38 VAL HB 1 39 VAL H . . 3.450 2.300 2.135 2.507 . 0 0 "[ . 1 . 2]" 1
619 1 38 VAL HB 1 39 VAL HA . . 4.810 4.097 4.058 4.184 . 0 0 "[ . 1 . 2]" 1
620 1 38 VAL HB 1 40 ALA H . . 5.100 4.999 4.861 5.108 0.008 20 0 "[ . 1 . 2]" 1
621 1 38 VAL MG1 1 39 VAL H . . 3.760 3.440 3.133 3.602 . 0 0 "[ . 1 . 2]" 1
622 1 38 VAL MG1 1 39 VAL HA . . 3.930 3.727 3.446 3.913 . 0 0 "[ . 1 . 2]" 1
623 1 38 VAL MG1 1 41 GLU H . . 4.770 4.575 4.367 4.785 0.015 15 0 "[ . 1 . 2]" 1
624 1 38 VAL MG1 1 42 LYS H . . 4.590 4.009 3.717 4.213 . 0 0 "[ . 1 . 2]" 1
625 1 38 VAL MG1 1 42 LYS HD3 . . 4.000 3.642 2.829 4.035 0.035 14 0 "[ . 1 . 2]" 1
626 1 38 VAL MG1 1 42 LYS HE2 . . 3.570 1.946 1.759 2.193 . 0 0 "[ . 1 . 2]" 1
627 1 38 VAL MG1 1 42 LYS HE3 . . 3.380 1.923 1.766 2.086 . 0 0 "[ . 1 . 2]" 1
628 1 38 VAL MG1 1 42 LYS QG . . 3.730 3.752 3.376 3.854 0.124 10 0 "[ . 1 . 2]" 1
629 1 38 VAL MG2 1 39 VAL H . . 3.600 3.613 3.578 3.678 0.078 20 0 "[ . 1 . 2]" 1
630 1 39 VAL H 1 39 VAL HB . . 3.250 2.473 2.411 2.545 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL H 1 39 VAL MG1 . . 3.610 3.702 3.695 3.707 0.097 11 0 "[ . 1 . 2]" 1
632 1 39 VAL H 1 39 VAL MG2 . . 2.940 1.990 1.906 2.173 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL H 1 40 ALA H . . 3.720 2.932 2.805 3.029 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL H 1 41 GLU H . . 4.820 4.294 4.182 4.370 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL HA 1 39 VAL MG1 . . 2.900 2.388 2.266 2.510 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL HA 1 39 VAL MG2 . . 2.990 2.350 2.227 2.445 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL HA 1 41 GLU H . . 4.640 4.174 4.041 4.332 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL HA 1 42 LYS H . . 3.880 2.938 2.850 3.043 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL HA 1 42 LYS HB2 . . 3.560 1.946 1.901 1.969 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL HA 1 42 LYS HB3 . . 3.800 3.166 3.031 3.342 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL HA 1 42 LYS QG . . 3.650 3.689 3.544 3.754 0.104 2 0 "[ . 1 . 2]" 1
642 1 39 VAL HA 1 43 ILE MG . . 4.410 3.426 3.156 3.714 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL HB 1 40 ALA H . . 3.430 2.423 2.393 2.463 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL HB 1 40 ALA MB . . 4.020 4.065 4.036 4.090 0.070 15 0 "[ . 1 . 2]" 1
645 1 39 VAL MG1 1 40 ALA H . . 3.650 3.337 3.243 3.485 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL MG1 1 42 LYS H . . 4.260 4.169 4.042 4.349 0.089 15 0 "[ . 1 . 2]" 1
647 1 39 VAL MG2 1 40 ALA H . . 4.940 3.810 3.728 3.857 . 0 0 "[ . 1 . 2]" 1
648 1 40 ALA H 1 40 ALA MB . . 2.780 2.163 2.128 2.188 . 0 0 "[ . 1 . 2]" 1
649 1 40 ALA H 1 41 GLU H . . 3.840 2.998 2.965 3.067 . 0 0 "[ . 1 . 2]" 1
650 1 40 ALA H 1 42 LYS H . . 4.890 4.264 4.164 4.424 . 0 0 "[ . 1 . 2]" 1
651 1 40 ALA H 1 50 LEU QD . . 4.180 3.436 3.140 3.583 . 0 0 "[ . 1 . 2]" 1
652 1 40 ALA HA 1 41 GLU HA . . 4.760 4.686 4.665 4.702 . 0 0 "[ . 1 . 2]" 1
653 1 40 ALA HA 1 43 ILE H . . 3.990 3.666 3.572 3.862 . 0 0 "[ . 1 . 2]" 1
654 1 40 ALA HA 1 43 ILE MD . . 3.860 2.880 2.153 3.103 . 0 0 "[ . 1 . 2]" 1
655 1 40 ALA HA 1 43 ILE HG12 . . 3.840 2.262 2.186 2.350 . 0 0 "[ . 1 . 2]" 1
656 1 40 ALA HA 1 43 ILE HG13 . . 3.700 3.774 3.738 3.809 0.109 14 0 "[ . 1 . 2]" 1
657 1 40 ALA HA 1 43 ILE MG . . 4.070 3.379 3.076 3.754 . 0 0 "[ . 1 . 2]" 1
658 1 40 ALA HA 1 44 GLN H . . 4.510 4.224 4.115 4.558 0.048 20 0 "[ . 1 . 2]" 1
659 1 40 ALA HA 1 45 TYR H . . 3.890 3.298 3.143 3.454 . 0 0 "[ . 1 . 2]" 1
660 1 40 ALA HA 1 45 TYR HB2 . . 4.280 3.000 2.762 3.184 . 0 0 "[ . 1 . 2]" 1
661 1 40 ALA HA 1 45 TYR HB3 . . 4.340 3.354 3.082 3.545 . 0 0 "[ . 1 . 2]" 1
662 1 40 ALA HA 1 47 GLU HA . . 4.050 4.127 4.080 4.201 0.151 20 0 "[ . 1 . 2]" 1
663 1 40 ALA HA 1 50 LEU QD . . 3.120 2.115 2.053 2.292 . 0 0 "[ . 1 . 2]" 1
664 1 40 ALA MB 1 41 GLU H . . 3.130 2.578 2.463 2.653 . 0 0 "[ . 1 . 2]" 1
665 1 40 ALA MB 1 41 GLU HA . . 3.900 3.823 3.798 3.850 . 0 0 "[ . 1 . 2]" 1
666 1 40 ALA MB 1 41 GLU HG2 . . 4.080 2.926 2.827 3.018 . 0 0 "[ . 1 . 2]" 1
667 1 40 ALA MB 1 41 GLU HG3 . . 3.970 3.916 3.760 4.028 0.058 15 0 "[ . 1 . 2]" 1
668 1 40 ALA MB 1 42 LYS H . . 4.480 4.537 4.466 4.601 0.121 15 0 "[ . 1 . 2]" 1
669 1 40 ALA MB 1 43 ILE MD . . 4.370 4.010 3.492 4.166 . 0 0 "[ . 1 . 2]" 1
670 1 40 ALA MB 1 45 TYR H . . 4.060 3.100 2.996 3.214 . 0 0 "[ . 1 . 2]" 1
671 1 40 ALA MB 1 45 TYR HB2 . . 4.560 3.736 3.582 3.977 . 0 0 "[ . 1 . 2]" 1
672 1 40 ALA MB 1 45 TYR HB3 . . 4.390 3.326 3.132 3.652 . 0 0 "[ . 1 . 2]" 1
673 1 40 ALA MB 1 46 ALA HA . . 3.850 3.190 3.084 3.333 . 0 0 "[ . 1 . 2]" 1
674 1 40 ALA MB 1 47 GLU H . . 4.020 2.203 2.150 2.268 . 0 0 "[ . 1 . 2]" 1
675 1 40 ALA MB 1 47 GLU HA . . 3.110 2.066 1.965 2.394 . 0 0 "[ . 1 . 2]" 1
676 1 40 ALA MB 1 47 GLU HB2 . . 3.610 3.328 3.192 3.554 . 0 0 "[ . 1 . 2]" 1
677 1 40 ALA MB 1 47 GLU HB3 . . 3.140 2.078 1.980 2.240 . 0 0 "[ . 1 . 2]" 1
678 1 40 ALA MB 1 47 GLU QG . . 3.150 3.187 3.146 3.421 0.271 15 0 "[ . 1 . 2]" 1
679 1 40 ALA MB 1 48 GLU H . . 4.820 4.409 4.321 4.474 . 0 0 "[ . 1 . 2]" 1
680 1 40 ALA MB 1 50 LEU H . . 4.650 4.682 4.523 4.833 0.183 15 0 "[ . 1 . 2]" 1
681 1 40 ALA MB 1 50 LEU QD . . 2.820 2.134 1.932 2.426 . 0 0 "[ . 1 . 2]" 1
682 1 40 ALA MB 1 50 LEU HG . . 4.460 3.789 3.459 4.630 0.170 17 0 "[ . 1 . 2]" 1
683 1 41 GLU H 1 41 GLU QB . . 3.030 2.598 2.570 2.627 . 0 0 "[ . 1 . 2]" 1
684 1 41 GLU H 1 41 GLU HG2 . . 3.730 2.060 1.975 2.156 . 0 0 "[ . 1 . 2]" 1
685 1 41 GLU H 1 41 GLU HG3 . . 3.660 2.629 2.467 2.849 . 0 0 "[ . 1 . 2]" 1
686 1 41 GLU H 1 42 LYS H . . 3.580 2.562 2.513 2.605 . 0 0 "[ . 1 . 2]" 1
687 1 41 GLU H 1 42 LYS HB2 . . 4.540 4.304 4.270 4.336 . 0 0 "[ . 1 . 2]" 1
688 1 41 GLU H 1 43 ILE H . . 4.710 3.823 3.748 3.920 . 0 0 "[ . 1 . 2]" 1
689 1 41 GLU HA 1 41 GLU QB . . 2.700 2.320 2.309 2.331 . 0 0 "[ . 1 . 2]" 1
690 1 41 GLU HA 1 41 GLU HG2 . . 3.490 2.647 2.603 2.710 . 0 0 "[ . 1 . 2]" 1
691 1 41 GLU HA 1 43 ILE H . . 4.710 3.711 3.596 3.972 . 0 0 "[ . 1 . 2]" 1
692 1 41 GLU HA 1 44 GLN H . . 4.080 2.665 2.569 2.789 . 0 0 "[ . 1 . 2]" 1
693 1 41 GLU HA 1 44 GLN HA . . 3.700 2.619 2.518 2.795 . 0 0 "[ . 1 . 2]" 1
694 1 41 GLU HA 1 44 GLN HG2 . . 4.640 4.032 3.900 4.292 . 0 0 "[ . 1 . 2]" 1
695 1 41 GLU HA 1 45 TYR H . . 4.650 3.162 3.051 3.324 . 0 0 "[ . 1 . 2]" 1
696 1 41 GLU QB 1 42 LYS H . . 3.460 2.596 2.430 2.707 . 0 0 "[ . 1 . 2]" 1
697 1 41 GLU QB 1 42 LYS HB2 . . 4.300 4.221 4.187 4.276 . 0 0 "[ . 1 . 2]" 1
698 1 41 GLU QB 1 42 LYS HD2 . . 4.480 4.462 4.281 4.556 0.076 15 0 "[ . 1 . 2]" 1
699 1 41 GLU QB 1 42 LYS HD3 . . 3.840 3.109 2.985 3.234 . 0 0 "[ . 1 . 2]" 1
700 1 41 GLU QB 1 42 LYS HE2 . . 4.620 3.763 3.179 4.637 0.017 19 0 "[ . 1 . 2]" 1
701 1 41 GLU QB 1 42 LYS HE3 . . 4.610 4.559 4.422 4.703 0.093 17 0 "[ . 1 . 2]" 1
702 1 41 GLU QB 1 43 ILE H . . 4.650 4.399 4.302 4.561 . 0 0 "[ . 1 . 2]" 1
703 1 41 GLU HG2 1 42 LYS H . . 4.730 4.220 4.140 4.306 . 0 0 "[ . 1 . 2]" 1
704 1 41 GLU HG3 1 42 LYS H . . 4.160 4.186 4.136 4.238 0.078 15 0 "[ . 1 . 2]" 1
705 1 42 LYS H 1 42 LYS HB2 . . 3.290 2.025 2.012 2.050 . 0 0 "[ . 1 . 2]" 1
706 1 42 LYS H 1 42 LYS HB3 . . 3.450 3.301 3.273 3.349 . 0 0 "[ . 1 . 2]" 1
707 1 42 LYS H 1 42 LYS HD2 . . 4.610 4.302 4.131 4.473 . 0 0 "[ . 1 . 2]" 1
708 1 42 LYS H 1 42 LYS HD3 . . 3.380 2.729 2.477 3.010 . 0 0 "[ . 1 . 2]" 1
709 1 42 LYS H 1 43 ILE H . . 3.650 2.691 2.592 2.796 . 0 0 "[ . 1 . 2]" 1
710 1 42 LYS H 1 43 ILE MG . . 4.480 3.793 3.639 3.967 . 0 0 "[ . 1 . 2]" 1
711 1 42 LYS HA 1 42 LYS HD2 . . 3.530 3.106 2.854 3.325 . 0 0 "[ . 1 . 2]" 1
712 1 42 LYS HA 1 42 LYS HD3 . . 2.980 2.054 1.905 2.387 . 0 0 "[ . 1 . 2]" 1
713 1 42 LYS HA 1 42 LYS HE2 . . 4.710 4.126 3.692 4.810 0.100 13 0 "[ . 1 . 2]" 1
714 1 42 LYS HA 1 42 LYS HE3 . . 4.550 4.496 4.305 4.639 0.089 2 0 "[ . 1 . 2]" 1
715 1 42 LYS HA 1 42 LYS QG . . 3.440 2.374 2.265 2.439 . 0 0 "[ . 1 . 2]" 1
716 1 42 LYS HA 1 43 ILE MG . . 4.550 4.308 4.160 4.412 . 0 0 "[ . 1 . 2]" 1
717 1 42 LYS HB2 1 42 LYS HE2 . . 4.300 2.905 1.983 4.108 . 0 0 "[ . 1 . 2]" 1
718 1 42 LYS HB2 1 42 LYS HE3 . . 4.500 3.168 2.717 3.638 . 0 0 "[ . 1 . 2]" 1
719 1 42 LYS HB2 1 43 ILE H . . 3.730 3.480 3.334 3.582 . 0 0 "[ . 1 . 2]" 1
720 1 42 LYS HB3 1 42 LYS HD3 . . 3.800 3.632 3.566 3.702 . 0 0 "[ . 1 . 2]" 1
721 1 42 LYS HB3 1 42 LYS HE3 . . 4.330 4.331 3.886 4.762 0.432 16 0 "[ . 1 . 2]" 1
722 1 42 LYS HB3 1 43 ILE H . . 3.800 3.566 3.403 3.736 . 0 0 "[ . 1 . 2]" 1
723 1 42 LYS HB3 1 43 ILE MG . . 3.580 2.843 2.717 2.953 . 0 0 "[ . 1 . 2]" 1
724 1 42 LYS HE3 1 42 LYS QG . . 3.890 2.514 2.045 2.780 . 0 0 "[ . 1 . 2]" 1
725 1 43 ILE H 1 43 ILE MD . . 3.980 3.945 3.741 4.044 0.064 14 0 "[ . 1 . 2]" 1
726 1 43 ILE H 1 43 ILE HG12 . . 3.610 2.514 2.436 2.669 . 0 0 "[ . 1 . 2]" 1
727 1 43 ILE H 1 43 ILE HG13 . . 3.800 3.513 3.382 3.831 0.031 12 0 "[ . 1 . 2]" 1
728 1 43 ILE H 1 43 ILE MG . . 3.280 2.321 2.082 2.415 . 0 0 "[ . 1 . 2]" 1
729 1 43 ILE H 1 44 GLN H . . 3.470 1.960 1.897 2.078 . 0 0 "[ . 1 . 2]" 1
730 1 43 ILE H 1 44 GLN HA . . 4.160 4.112 4.020 4.220 0.060 8 0 "[ . 1 . 2]" 1
731 1 43 ILE HA 1 43 ILE MD . . 4.040 4.075 4.060 4.122 0.082 12 0 "[ . 1 . 2]" 1
732 1 43 ILE HA 1 43 ILE MG . . 2.930 2.535 2.478 2.597 . 0 0 "[ . 1 . 2]" 1
733 1 43 ILE HA 1 44 GLN HG2 . . 4.710 4.681 4.573 4.721 0.011 8 0 "[ . 1 . 2]" 1
734 1 43 ILE HA 1 44 GLN HG3 . . 4.610 3.345 3.249 3.388 . 0 0 "[ . 1 . 2]" 1
735 1 43 ILE HB 1 43 ILE MD . . 3.180 2.242 2.186 2.466 . 0 0 "[ . 1 . 2]" 1
736 1 43 ILE HB 1 44 GLN H . . 4.810 4.430 4.317 4.618 . 0 0 "[ . 1 . 2]" 1
737 1 43 ILE HB 1 45 TYR QD . . 4.070 3.803 3.713 4.077 0.007 12 0 "[ . 1 . 2]" 1
738 1 43 ILE MD 1 43 ILE MG . . 2.590 2.140 1.901 2.213 . 0 0 "[ . 1 . 2]" 1
739 1 43 ILE MD 1 44 GLN H . . 4.900 4.535 4.338 4.948 0.048 20 0 "[ . 1 . 2]" 1
740 1 43 ILE MD 1 45 TYR H . . 4.520 4.108 3.941 4.430 . 0 0 "[ . 1 . 2]" 1
741 1 43 ILE MD 1 45 TYR HB2 . . 3.720 2.179 2.012 2.578 . 0 0 "[ . 1 . 2]" 1
742 1 43 ILE MD 1 45 TYR HB3 . . 3.900 2.920 2.803 3.081 . 0 0 "[ . 1 . 2]" 1
743 1 43 ILE MD 1 45 TYR QD . . 3.710 2.598 1.952 3.071 . 0 0 "[ . 1 . 2]" 1
744 1 43 ILE MD 1 45 TYR QE . . 4.500 3.790 3.665 3.978 . 0 0 "[ . 1 . 2]" 1
745 1 43 ILE MD 1 50 LEU QD . . 3.400 1.755 1.621 1.931 . 0 0 "[ . 1 . 2]" 1
746 1 43 ILE MD 1 83 VAL QG . . 3.220 2.658 2.244 2.984 . 0 0 "[ . 1 . 2]" 1
747 1 43 ILE MD 1 95 PHE HZ . . 4.350 2.900 1.967 3.561 . 0 0 "[ . 1 . 2]" 1
748 1 43 ILE HG12 1 43 ILE MG . . 3.250 2.370 2.309 2.547 . 0 0 "[ . 1 . 2]" 1
749 1 43 ILE HG12 1 44 GLN H . . 4.240 3.054 2.865 3.529 . 0 0 "[ . 1 . 2]" 1
750 1 43 ILE HG12 1 45 TYR H . . 4.240 3.036 2.978 3.201 . 0 0 "[ . 1 . 2]" 1
751 1 43 ILE HG12 1 45 TYR HB2 . . 4.240 2.226 1.996 2.388 . 0 0 "[ . 1 . 2]" 1
752 1 43 ILE HG12 1 45 TYR QD . . 4.110 3.628 3.509 3.777 . 0 0 "[ . 1 . 2]" 1
753 1 43 ILE HG13 1 43 ILE MG . . 3.460 3.233 3.216 3.241 . 0 0 "[ . 1 . 2]" 1
754 1 43 ILE HG13 1 44 GLN H . . 4.420 3.373 3.020 4.030 . 0 0 "[ . 1 . 2]" 1
755 1 43 ILE HG13 1 45 TYR H . . 4.100 3.252 2.988 3.870 . 0 0 "[ . 1 . 2]" 1
756 1 43 ILE HG13 1 45 TYR HA . . 4.620 4.176 4.055 4.515 . 0 0 "[ . 1 . 2]" 1
757 1 43 ILE HG13 1 45 TYR HB2 . . 3.900 1.946 1.913 1.971 . 0 0 "[ . 1 . 2]" 1
758 1 43 ILE HG13 1 45 TYR HB3 . . 4.180 3.658 3.542 3.693 . 0 0 "[ . 1 . 2]" 1
759 1 43 ILE HG13 1 45 TYR QD . . 3.700 2.069 1.970 2.282 . 0 0 "[ . 1 . 2]" 1
760 1 43 ILE HG13 1 45 TYR QE . . 4.560 4.329 3.997 4.530 . 0 0 "[ . 1 . 2]" 1
761 1 43 ILE MG 1 44 GLN H . . 4.150 3.803 3.715 3.969 . 0 0 "[ . 1 . 2]" 1
762 1 43 ILE MG 1 45 TYR H . . 4.750 4.815 4.770 4.910 0.160 12 0 "[ . 1 . 2]" 1
763 1 43 ILE MG 1 45 TYR HB2 . . 4.810 4.175 4.099 4.239 . 0 0 "[ . 1 . 2]" 1
764 1 43 ILE MG 1 45 TYR QD . . 4.620 4.662 4.537 4.718 0.098 14 0 "[ . 1 . 2]" 1
765 1 44 GLN H 1 44 GLN HA . . 2.900 2.182 2.170 2.193 . 0 0 "[ . 1 . 2]" 1
766 1 44 GLN H 1 44 GLN HB2 . . 3.730 3.760 3.695 3.793 0.063 15 0 "[ . 1 . 2]" 1
767 1 44 GLN H 1 44 GLN HB3 . . 4.040 4.040 3.894 4.076 0.036 15 0 "[ . 1 . 2]" 1
768 1 44 GLN H 1 44 GLN HG2 . . 3.610 3.087 2.776 3.179 . 0 0 "[ . 1 . 2]" 1
769 1 44 GLN H 1 44 GLN HG3 . . 3.630 3.150 2.822 3.252 . 0 0 "[ . 1 . 2]" 1
770 1 44 GLN H 1 45 TYR H . . 3.540 2.707 2.566 3.055 . 0 0 "[ . 1 . 2]" 1
771 1 44 GLN HA 1 44 GLN HG2 . . 3.150 2.539 2.507 2.615 . 0 0 "[ . 1 . 2]" 1
772 1 44 GLN HA 1 44 GLN HG3 . . 3.330 3.357 3.346 3.373 0.043 20 0 "[ . 1 . 2]" 1
773 1 44 GLN HA 1 45 TYR H . . 3.260 2.601 2.533 2.647 . 0 0 "[ . 1 . 2]" 1
774 1 44 GLN HB2 1 45 TYR H . . 4.390 4.460 4.439 4.482 0.092 12 0 "[ . 1 . 2]" 1
775 1 44 GLN HB3 1 45 TYR H . . 4.830 4.483 4.439 4.514 . 0 0 "[ . 1 . 2]" 1
776 1 44 GLN HE22 1 44 GLN HG3 . . 4.120 3.586 3.445 4.082 . 0 0 "[ . 1 . 2]" 1
777 1 44 GLN HG2 1 45 TYR H . . 4.920 4.943 4.920 4.976 0.056 20 0 "[ . 1 . 2]" 1
778 1 45 TYR H 1 45 TYR HB2 . . 3.730 2.461 2.376 2.651 . 0 0 "[ . 1 . 2]" 1
779 1 45 TYR H 1 45 TYR HB3 . . 3.850 3.258 3.194 3.322 . 0 0 "[ . 1 . 2]" 1
780 1 45 TYR H 1 45 TYR QD . . 4.240 3.945 3.712 4.314 0.074 12 0 "[ . 1 . 2]" 1
781 1 45 TYR H 1 50 LEU QD . . 4.190 3.910 3.676 4.103 . 0 0 "[ . 1 . 2]" 1
782 1 45 TYR HA 1 45 TYR QD . . 3.680 3.006 2.104 3.073 . 0 0 "[ . 1 . 2]" 1
783 1 45 TYR HA 1 46 ALA H . . 3.290 2.868 2.806 2.896 . 0 0 "[ . 1 . 2]" 1
784 1 45 TYR HA 1 46 ALA HA . . 4.600 4.432 4.419 4.449 . 0 0 "[ . 1 . 2]" 1
785 1 45 TYR HB2 1 46 ALA H . . 4.290 3.537 3.503 3.682 . 0 0 "[ . 1 . 2]" 1
786 1 45 TYR HB2 1 50 LEU QD . . 3.440 2.420 2.148 2.589 . 0 0 "[ . 1 . 2]" 1
787 1 45 TYR HB3 1 46 ALA H . . 3.790 1.987 1.928 2.279 . 0 0 "[ . 1 . 2]" 1
788 1 45 TYR HB3 1 50 LEU QD . . 3.350 2.089 1.779 2.305 . 0 0 "[ . 1 . 2]" 1
789 1 45 TYR HB3 1 50 LEU HG . . 4.400 2.922 2.671 3.976 . 0 0 "[ . 1 . 2]" 1
790 1 45 TYR QD 1 46 ALA H . . 3.970 2.074 1.943 2.399 . 0 0 "[ . 1 . 2]" 1
791 1 45 TYR QD 1 46 ALA MB . . 4.030 3.493 3.186 3.733 . 0 0 "[ . 1 . 2]" 1
792 1 45 TYR QD 1 49 ASP HB2 . . 4.250 3.175 3.046 3.763 . 0 0 "[ . 1 . 2]" 1
793 1 45 TYR QD 1 49 ASP HB3 . . 4.690 4.046 3.782 4.732 0.042 12 0 "[ . 1 . 2]" 1
794 1 45 TYR QD 1 50 LEU QD . . 3.240 2.623 1.860 2.895 . 0 0 "[ . 1 . 2]" 1
795 1 45 TYR QD 1 50 LEU HG . . 3.800 3.271 3.066 3.996 0.196 17 0 "[ . 1 . 2]" 1
796 1 45 TYR QE 1 46 ALA H . . 4.820 4.415 4.077 4.675 . 0 0 "[ . 1 . 2]" 1
797 1 45 TYR QE 1 49 ASP HB2 . . 4.500 4.518 4.275 4.560 0.060 20 0 "[ . 1 . 2]" 1
798 1 45 TYR QE 1 49 ASP HB3 . . 4.670 4.414 4.251 4.664 . 0 0 "[ . 1 . 2]" 1
799 1 45 TYR QE 1 50 LEU QD . . 3.760 3.432 3.071 3.636 . 0 0 "[ . 1 . 2]" 1
800 1 45 TYR QE 1 85 ARG HA . . 4.660 4.588 4.032 4.701 0.041 8 0 "[ . 1 . 2]" 1
801 1 45 TYR QE 1 85 ARG HB2 . . 4.670 4.069 2.606 4.989 0.319 2 0 "[ . 1 . 2]" 1
802 1 45 TYR QE 1 85 ARG HD2 . . 4.110 3.402 1.987 4.966 0.856 10 2 "[ - . + . 2]" 1
803 1 45 TYR QE 1 85 ARG HG2 . . 4.520 3.196 2.061 4.554 0.034 13 0 "[ . 1 . 2]" 1
804 1 46 ALA H 1 46 ALA MB . . 2.870 2.343 2.223 2.434 . 0 0 "[ . 1 . 2]" 1
805 1 46 ALA H 1 50 LEU QD . . 4.940 3.199 2.476 3.543 . 0 0 "[ . 1 . 2]" 1
806 1 46 ALA HA 1 47 GLU H . . 3.140 2.212 2.198 2.235 . 0 0 "[ . 1 . 2]" 1
807 1 46 ALA HA 1 47 GLU HA . . 4.400 4.389 4.369 4.418 0.018 10 0 "[ . 1 . 2]" 1
808 1 46 ALA HA 1 47 GLU QG . . 4.380 3.504 3.367 3.661 . 0 0 "[ . 1 . 2]" 1
809 1 46 ALA MB 1 47 GLU H . . 3.750 3.527 3.468 3.588 . 0 0 "[ . 1 . 2]" 1
810 1 46 ALA MB 1 47 GLU HA . . 4.560 4.659 4.623 4.716 0.156 12 0 "[ . 1 . 2]" 1
811 1 46 ALA MB 1 48 GLU H . . 3.470 3.276 2.879 3.378 . 0 0 "[ . 1 . 2]" 1
812 1 46 ALA MB 1 48 GLU QB . . 4.320 4.034 2.848 4.173 . 0 0 "[ . 1 . 2]" 1
813 1 46 ALA MB 1 48 GLU QG . . 3.440 2.250 2.044 3.130 . 0 0 "[ . 1 . 2]" 1
814 1 46 ALA MB 1 49 ASP H . . 3.640 2.260 2.119 2.597 . 0 0 "[ . 1 . 2]" 1
815 1 46 ALA MB 1 49 ASP HA . . 4.740 4.081 3.977 4.399 . 0 0 "[ . 1 . 2]" 1
816 1 46 ALA MB 1 49 ASP HB2 . . 4.240 2.281 2.102 2.815 . 0 0 "[ . 1 . 2]" 1
817 1 46 ALA MB 1 49 ASP HB3 . . 3.520 3.558 3.427 4.027 0.507 7 1 "[ . + 1 . 2]" 1
818 1 46 ALA MB 1 50 LEU H . . 4.720 4.142 4.045 4.254 . 0 0 "[ . 1 . 2]" 1
819 1 47 GLU H 1 47 GLU HB2 . . 3.900 3.559 3.539 3.574 . 0 0 "[ . 1 . 2]" 1
820 1 47 GLU H 1 47 GLU HB3 . . 3.820 2.572 2.520 2.710 . 0 0 "[ . 1 . 2]" 1
821 1 47 GLU H 1 47 GLU QG . . 3.970 1.976 1.897 2.158 . 0 0 "[ . 1 . 2]" 1
822 1 47 GLU HA 1 47 GLU QG . . 3.440 3.321 3.302 3.373 . 0 0 "[ . 1 . 2]" 1
823 1 47 GLU HA 1 50 LEU H . . 4.950 3.158 2.924 3.291 . 0 0 "[ . 1 . 2]" 1
824 1 47 GLU HA 1 50 LEU HB2 . . 4.840 2.178 2.020 2.347 . 0 0 "[ . 1 . 2]" 1
825 1 47 GLU HA 1 50 LEU QD . . 3.540 2.615 2.342 2.724 . 0 0 "[ . 1 . 2]" 1
826 1 47 GLU HA 1 50 LEU HG . . 4.740 3.369 2.946 4.721 . 0 0 "[ . 1 . 2]" 1
827 1 47 GLU HB2 1 48 GLU H . . 3.770 3.665 3.504 3.782 0.012 6 0 "[ . 1 . 2]" 1
828 1 47 GLU HB2 1 50 LEU QD . . 4.900 4.618 4.402 4.795 . 0 0 "[ . 1 . 2]" 1
829 1 47 GLU HB3 1 50 LEU QD . . 4.830 4.067 3.900 4.210 . 0 0 "[ . 1 . 2]" 1
830 1 47 GLU QG 1 48 GLU H . . 3.750 1.939 1.881 2.105 . 0 0 "[ . 1 . 2]" 1
831 1 48 GLU H 1 48 GLU QB . . 3.380 2.508 2.310 2.665 . 0 0 "[ . 1 . 2]" 1
832 1 48 GLU H 1 48 GLU QG . . 3.250 2.010 1.886 2.365 . 0 0 "[ . 1 . 2]" 1
833 1 48 GLU H 1 49 ASP H . . 4.000 2.694 2.651 2.827 . 0 0 "[ . 1 . 2]" 1
834 1 48 GLU H 1 50 LEU H . . 4.850 3.788 3.666 3.878 . 0 0 "[ . 1 . 2]" 1
835 1 48 GLU HA 1 48 GLU QB . . 2.790 2.203 2.188 2.323 . 0 0 "[ . 1 . 2]" 1
836 1 48 GLU HA 1 48 GLU QG . . 3.280 3.281 2.486 3.333 0.053 10 0 "[ . 1 . 2]" 1
837 1 48 GLU HA 1 50 LEU H . . 4.380 3.676 3.599 3.842 . 0 0 "[ . 1 . 2]" 1
838 1 48 GLU QB 1 49 ASP H . . 4.460 3.510 2.482 3.715 . 0 0 "[ . 1 . 2]" 1
839 1 48 GLU QG 1 49 ASP H . . 3.870 2.202 1.896 3.703 . 0 0 "[ . 1 . 2]" 1
840 1 49 ASP H 1 49 ASP HB2 . . 4.140 2.403 2.309 2.512 . 0 0 "[ . 1 . 2]" 1
841 1 49 ASP H 1 49 ASP HB3 . . 3.680 3.567 3.544 3.608 . 0 0 "[ . 1 . 2]" 1
842 1 49 ASP H 1 50 LEU H . . 3.460 2.384 2.166 2.571 . 0 0 "[ . 1 . 2]" 1
843 1 49 ASP HA 1 86 LYS HB2 . . 4.270 2.633 2.141 2.880 . 0 0 "[ . 1 . 2]" 1
844 1 49 ASP HA 1 86 LYS HB3 . . 4.130 3.984 3.329 4.147 0.017 20 0 "[ . 1 . 2]" 1
845 1 49 ASP HA 1 86 LYS QD . . 3.990 3.503 2.723 3.976 . 0 0 "[ . 1 . 2]" 1
846 1 49 ASP HB2 1 50 LEU HG . . 4.850 3.419 3.147 5.054 0.204 12 0 "[ . 1 . 2]" 1
847 1 49 ASP HB3 1 50 LEU H . . 4.210 4.233 4.180 4.294 0.084 20 0 "[ . 1 . 2]" 1
848 1 49 ASP HB3 1 50 LEU QD . . 4.060 3.607 2.916 3.847 . 0 0 "[ . 1 . 2]" 1
849 1 49 ASP HB3 1 86 LYS H . . 4.450 3.192 2.669 3.648 . 0 0 "[ . 1 . 2]" 1
850 1 49 ASP HB3 1 86 LYS HB2 . . 3.810 3.260 2.493 3.743 . 0 0 "[ . 1 . 2]" 1
851 1 50 LEU H 1 50 LEU HB2 . . 3.620 2.471 2.347 2.518 . 0 0 "[ . 1 . 2]" 1
852 1 50 LEU H 1 50 LEU HB3 . . 3.960 3.651 3.576 3.672 . 0 0 "[ . 1 . 2]" 1
853 1 50 LEU H 1 50 LEU QD . . 3.740 3.271 2.375 3.442 . 0 0 "[ . 1 . 2]" 1
854 1 50 LEU H 1 50 LEU HG . . 3.690 3.023 2.788 4.334 0.644 12 2 "[ . 1 + . - 2]" 1
855 1 50 LEU H 1 51 ALA H . . 4.590 4.468 4.451 4.518 . 0 0 "[ . 1 . 2]" 1
856 1 50 LEU HA 1 50 LEU QD . . 3.330 2.035 1.908 2.127 . 0 0 "[ . 1 . 2]" 1
857 1 50 LEU HA 1 51 ALA H . . 3.380 2.636 2.523 2.670 . 0 0 "[ . 1 . 2]" 1
858 1 50 LEU HA 1 51 ALA MB . . 4.070 3.720 3.647 3.767 . 0 0 "[ . 1 . 2]" 1
859 1 50 LEU HA 1 83 VAL QG . . 4.210 3.576 3.398 3.829 . 0 0 "[ . 1 . 2]" 1
860 1 50 LEU HA 1 85 ARG HA . . 4.000 2.845 2.455 3.134 . 0 0 "[ . 1 . 2]" 1
861 1 50 LEU HA 1 86 LYS H . . 4.340 3.231 2.737 3.766 . 0 0 "[ . 1 . 2]" 1
862 1 50 LEU HA 1 92 LEU QD . . 4.850 3.815 3.453 4.101 . 0 0 "[ . 1 . 2]" 1
863 1 50 LEU HB2 1 51 ALA H . . 4.250 3.387 3.280 3.534 . 0 0 "[ . 1 . 2]" 1
864 1 50 LEU HB3 1 51 ALA H . . 4.020 2.164 2.102 2.377 . 0 0 "[ . 1 . 2]" 1
865 1 50 LEU HB3 1 51 ALA HA . . 4.580 4.255 4.113 4.387 . 0 0 "[ . 1 . 2]" 1
866 1 50 LEU HB3 1 83 VAL QG . . 3.400 2.002 1.881 2.122 . 0 0 "[ . 1 . 2]" 1
867 1 50 LEU QD 1 51 ALA H . . 3.510 3.288 3.053 3.782 0.272 17 0 "[ . 1 . 2]" 1
868 1 50 LEU QD 1 83 VAL HB . . 4.230 4.107 3.967 4.384 0.154 17 0 "[ . 1 . 2]" 1
869 1 50 LEU QD 1 83 VAL QG . . 3.280 1.930 1.810 2.282 . 0 0 "[ . 1 . 2]" 1
870 1 50 LEU QD 1 85 ARG HA . . 3.730 1.957 1.786 2.724 . 0 0 "[ . 1 . 2]" 1
871 1 50 LEU QD 1 85 ARG HB3 . . 4.450 3.626 2.359 4.284 . 0 0 "[ . 1 . 2]" 1
872 1 50 LEU QD 1 85 ARG HG2 . . 4.200 3.015 2.073 4.791 0.591 13 1 "[ . 1 + . 2]" 1
873 1 50 LEU QD 1 86 LYS H . . 4.290 3.050 2.846 3.437 . 0 0 "[ . 1 . 2]" 1
874 1 50 LEU QD 1 95 PHE QE . . 4.350 2.815 2.338 3.924 . 0 0 "[ . 1 . 2]" 1
875 1 50 LEU QD 1 95 PHE HZ . . 4.370 2.761 1.775 3.986 . 0 0 "[ . 1 . 2]" 1
876 1 50 LEU HG 1 51 ALA H . . 4.800 4.737 3.721 4.969 0.169 18 0 "[ . 1 . 2]" 1
877 1 51 ALA H 1 51 ALA MB . . 3.320 2.790 2.726 2.857 . 0 0 "[ . 1 . 2]" 1
878 1 51 ALA H 1 52 LEU QD . . 4.430 3.721 3.435 4.376 . 0 0 "[ . 1 . 2]" 1
879 1 51 ALA H 1 83 VAL QG . . 3.510 2.372 2.030 2.798 . 0 0 "[ . 1 . 2]" 1
880 1 51 ALA H 1 84 TYR H . . 4.240 2.730 2.422 2.948 . 0 0 "[ . 1 . 2]" 1
881 1 51 ALA H 1 85 ARG HA . . 4.870 4.790 4.453 4.935 0.065 4 0 "[ . 1 . 2]" 1
882 1 51 ALA H 1 92 LEU QD . . 4.860 3.696 2.651 4.017 . 0 0 "[ . 1 . 2]" 1
883 1 51 ALA HA 1 52 LEU H . . 3.340 2.290 2.223 2.334 . 0 0 "[ . 1 . 2]" 1
884 1 51 ALA HA 1 52 LEU HB2 . . 4.650 4.590 4.482 4.690 0.040 15 0 "[ . 1 . 2]" 1
885 1 51 ALA HA 1 52 LEU QD . . 4.470 3.116 2.677 4.271 . 0 0 "[ . 1 . 2]" 1
886 1 51 ALA HA 1 92 LEU QD . . 4.840 4.471 3.903 4.584 . 0 0 "[ . 1 . 2]" 1
887 1 51 ALA MB 1 52 LEU H . . 3.220 2.897 2.762 3.103 . 0 0 "[ . 1 . 2]" 1
888 1 51 ALA MB 1 53 VAL QG . . 3.640 3.022 2.617 3.335 . 0 0 "[ . 1 . 2]" 1
889 1 51 ALA MB 1 63 GLU HA . . 4.640 4.325 3.793 4.648 0.008 20 0 "[ . 1 . 2]" 1
890 1 51 ALA MB 1 63 GLU QG . . 3.540 2.314 1.730 2.786 . 0 0 "[ . 1 . 2]" 1
891 1 51 ALA MB 1 83 VAL HA . . 4.680 4.616 4.520 4.754 0.074 20 0 "[ . 1 . 2]" 1
892 1 51 ALA MB 1 84 TYR HB2 . . 3.920 3.665 3.345 3.919 . 0 0 "[ . 1 . 2]" 1
893 1 51 ALA MB 1 92 LEU QD . . 2.890 2.126 1.849 2.276 . 0 0 "[ . 1 . 2]" 1
894 1 52 LEU H 1 52 LEU HB2 . . 3.880 2.356 2.283 2.453 . 0 0 "[ . 1 . 2]" 1
895 1 52 LEU H 1 52 LEU HB3 . . 4.080 3.556 3.531 3.583 . 0 0 "[ . 1 . 2]" 1
896 1 52 LEU H 1 52 LEU QD . . 3.870 2.359 1.897 3.312 . 0 0 "[ . 1 . 2]" 1
897 1 52 LEU H 1 52 LEU HG . . 4.130 3.866 2.522 4.177 0.047 12 0 "[ . 1 . 2]" 1
898 1 52 LEU H 1 53 VAL H . . 4.580 4.448 4.397 4.519 . 0 0 "[ . 1 . 2]" 1
899 1 52 LEU HA 1 52 LEU QD . . 2.930 1.928 1.837 2.038 . 0 0 "[ . 1 . 2]" 1
900 1 52 LEU HA 1 52 LEU HG . . 3.900 3.460 3.045 3.638 . 0 0 "[ . 1 . 2]" 1
901 1 52 LEU HA 1 53 VAL H . . 3.090 2.178 2.176 2.185 . 0 0 "[ . 1 . 2]" 1
902 1 52 LEU HA 1 53 VAL HA . . 4.290 4.370 4.366 4.376 0.086 17 0 "[ . 1 . 2]" 1
903 1 52 LEU HA 1 53 VAL QG . . 4.480 3.660 3.190 4.101 . 0 0 "[ . 1 . 2]" 1
904 1 52 LEU HA 1 81 ILE MG . . 3.550 3.148 2.905 3.363 . 0 0 "[ . 1 . 2]" 1
905 1 52 LEU HB2 1 52 LEU QD . . 3.040 2.067 1.963 2.373 . 0 0 "[ . 1 . 2]" 1
906 1 52 LEU HB2 1 53 VAL H . . 4.540 4.437 4.287 4.511 . 0 0 "[ . 1 . 2]" 1
907 1 52 LEU HB2 1 64 LEU HB2 . . 4.320 3.906 2.895 4.351 0.031 3 0 "[ . 1 . 2]" 1
908 1 52 LEU HB2 1 64 LEU QD . . 3.120 2.828 2.244 3.216 0.096 11 0 "[ . 1 . 2]" 1
909 1 52 LEU HB2 1 81 ILE MG . . 3.700 3.641 3.279 3.734 0.034 12 0 "[ . 1 . 2]" 1
910 1 52 LEU HB3 1 52 LEU QD . . 3.020 2.459 2.062 2.573 . 0 0 "[ . 1 . 2]" 1
911 1 52 LEU HB3 1 53 VAL H . . 3.790 3.606 3.416 3.727 . 0 0 "[ . 1 . 2]" 1
912 1 52 LEU HB3 1 53 VAL HA . . 4.740 4.737 4.557 4.802 0.062 15 0 "[ . 1 . 2]" 1
913 1 52 LEU HB3 1 81 ILE MG . . 3.110 2.220 1.894 2.372 . 0 0 "[ . 1 . 2]" 1
914 1 52 LEU HB3 1 82 TYR H . . 4.330 4.357 4.143 4.490 0.160 18 0 "[ . 1 . 2]" 1
915 1 52 LEU QD 1 53 VAL H . . 3.620 3.493 3.352 3.612 . 0 0 "[ . 1 . 2]" 1
916 1 52 LEU QD 1 83 VAL HA . . 3.350 3.167 2.771 3.354 0.004 17 0 "[ . 1 . 2]" 1
917 1 52 LEU HG 1 81 ILE MG . . 3.810 3.199 2.828 3.944 0.134 11 0 "[ . 1 . 2]" 1
918 1 53 VAL H 1 53 VAL QG . . 3.900 2.547 2.029 2.965 . 0 0 "[ . 1 . 2]" 1
919 1 53 VAL H 1 81 ILE MG . . 3.710 3.048 2.856 3.239 . 0 0 "[ . 1 . 2]" 1
920 1 53 VAL H 1 82 TYR H . . 4.220 2.697 2.454 2.960 . 0 0 "[ . 1 . 2]" 1
921 1 53 VAL H 1 82 TYR HB2 . . 4.550 3.337 3.045 3.701 . 0 0 "[ . 1 . 2]" 1
922 1 53 VAL H 1 83 VAL HA . . 4.210 3.022 2.834 3.238 . 0 0 "[ . 1 . 2]" 1
923 1 53 VAL H 1 83 VAL HB . . 4.410 4.568 4.473 4.827 0.417 18 0 "[ . 1 . 2]" 1
924 1 53 VAL H 1 84 TYR QD . . 4.750 3.746 3.392 4.165 . 0 0 "[ . 1 . 2]" 1
925 1 53 VAL HA 1 54 ALA H . . 3.330 2.209 2.182 2.370 . 0 0 "[ . 1 . 2]" 1
926 1 53 VAL HA 1 54 ALA MB . . 4.310 3.917 3.810 4.003 . 0 0 "[ . 1 . 2]" 1
927 1 53 VAL HA 1 63 GLU HA . . 3.290 2.327 1.968 2.731 . 0 0 "[ . 1 . 2]" 1
928 1 53 VAL HA 1 64 LEU QD . . 3.250 2.649 1.961 3.142 . 0 0 "[ . 1 . 2]" 1
929 1 53 VAL HA 1 81 ILE MG . . 4.670 4.368 4.043 4.649 . 0 0 "[ . 1 . 2]" 1
930 1 53 VAL HB 1 84 TYR QE . . 4.800 3.165 1.956 4.777 . 0 0 "[ . 1 . 2]" 1
931 1 53 VAL QG 1 54 ALA H . . 3.780 2.968 1.962 3.564 . 0 0 "[ . 1 . 2]" 1
932 1 53 VAL QG 1 61 LYS HA . . 4.700 3.200 2.753 3.815 . 0 0 "[ . 1 . 2]" 1
933 1 53 VAL QG 1 61 LYS QB . . 3.760 2.432 1.819 3.210 . 0 0 "[ . 1 . 2]" 1
934 1 53 VAL QG 1 61 LYS QD . . 3.870 3.075 1.807 3.790 . 0 0 "[ . 1 . 2]" 1
935 1 53 VAL QG 1 61 LYS QG . . 4.320 2.518 1.912 3.588 . 0 0 "[ . 1 . 2]" 1
936 1 53 VAL QG 1 62 HIS H . . 4.340 2.492 1.881 3.329 . 0 0 "[ . 1 . 2]" 1
937 1 53 VAL QG 1 63 GLU HA . . 3.500 2.637 1.878 3.181 . 0 0 "[ . 1 . 2]" 1
938 1 53 VAL QG 1 63 GLU HB2 . . 4.330 3.037 2.020 4.203 . 0 0 "[ . 1 . 2]" 1
939 1 53 VAL QG 1 63 GLU HB3 . . 4.590 4.045 3.249 4.464 . 0 0 "[ . 1 . 2]" 1
940 1 53 VAL QG 1 63 GLU QG . . 4.110 2.337 1.680 3.462 . 0 0 "[ . 1 . 2]" 1
941 1 53 VAL QG 1 64 LEU H . . 4.870 3.998 2.935 4.705 . 0 0 "[ . 1 . 2]" 1
942 1 53 VAL QG 1 64 LEU QD . . 4.380 3.671 3.286 3.939 . 0 0 "[ . 1 . 2]" 1
943 1 53 VAL QG 1 81 ILE MG . . 4.830 4.146 3.673 4.368 . 0 0 "[ . 1 . 2]" 1
944 1 53 VAL QG 1 82 TYR H . . 4.730 3.471 2.836 4.176 . 0 0 "[ . 1 . 2]" 1
945 1 53 VAL QG 1 82 TYR HB2 . . 4.400 2.352 1.803 3.311 . 0 0 "[ . 1 . 2]" 1
946 1 53 VAL QG 1 82 TYR HB3 . . 4.480 3.342 2.498 4.177 . 0 0 "[ . 1 . 2]" 1
947 1 53 VAL QG 1 84 TYR HB2 . . 3.740 2.584 2.289 3.306 . 0 0 "[ . 1 . 2]" 1
948 1 53 VAL QG 1 84 TYR QD . . 4.030 2.184 1.815 2.775 . 0 0 "[ . 1 . 2]" 1
949 1 53 VAL QG 1 84 TYR QE . . 3.440 2.230 1.807 2.689 . 0 0 "[ . 1 . 2]" 1
950 1 53 VAL QG 1 92 LEU QD . . 3.440 1.944 1.672 2.570 . 0 0 "[ . 1 . 2]" 1
951 1 54 ALA H 1 54 ALA MB . . 3.310 2.285 2.106 2.531 . 0 0 "[ . 1 . 2]" 1
952 1 54 ALA H 1 62 HIS H . . 4.220 2.965 2.202 3.537 . 0 0 "[ . 1 . 2]" 1
953 1 54 ALA H 1 62 HIS HB2 . . 4.240 4.150 3.873 4.305 0.065 6 0 "[ . 1 . 2]" 1
954 1 54 ALA H 1 62 HIS HB3 . . 4.150 3.507 3.228 3.957 . 0 0 "[ . 1 . 2]" 1
955 1 54 ALA H 1 63 GLU HA . . 4.280 3.503 3.089 3.820 . 0 0 "[ . 1 . 2]" 1
956 1 54 ALA H 1 64 LEU H . . 4.880 4.314 3.502 4.868 . 0 0 "[ . 1 . 2]" 1
957 1 54 ALA H 1 64 LEU QD . . 3.470 2.446 1.935 3.015 . 0 0 "[ . 1 . 2]" 1
958 1 54 ALA H 1 64 LEU HG . . 4.650 3.983 3.316 4.740 0.090 19 0 "[ . 1 . 2]" 1
959 1 54 ALA HA 1 55 ILE H . . 3.480 2.271 2.186 2.401 . 0 0 "[ . 1 . 2]" 1
960 1 54 ALA HA 1 64 LEU QD . . 4.510 3.805 3.423 4.206 . 0 0 "[ . 1 . 2]" 1
961 1 54 ALA HA 1 81 ILE MD . . 4.130 3.253 2.118 4.153 0.023 12 0 "[ . 1 . 2]" 1
962 1 54 ALA HA 1 81 ILE MG . . 4.380 3.581 2.955 4.020 . 0 0 "[ . 1 . 2]" 1
963 1 54 ALA HA 1 82 TYR H . . 4.320 3.294 2.847 3.620 . 0 0 "[ . 1 . 2]" 1
964 1 54 ALA MB 1 55 ILE H . . 3.900 3.036 2.618 3.488 . 0 0 "[ . 1 . 2]" 1
965 1 54 ALA MB 1 62 HIS HB2 . . 3.750 3.722 3.613 3.780 0.030 16 0 "[ . 1 . 2]" 1
966 1 54 ALA MB 1 62 HIS HB3 . . 3.680 3.193 2.629 3.706 0.026 14 0 "[ . 1 . 2]" 1
967 1 54 ALA MB 1 64 LEU QD . . 2.860 2.042 1.640 2.552 . 0 0 "[ . 1 . 2]" 1
968 1 54 ALA MB 1 64 LEU HG . . 4.060 3.434 2.608 4.087 0.027 18 0 "[ . 1 . 2]" 1
969 1 54 ALA MB 1 81 ILE MD . . 3.440 2.515 1.692 3.335 . 0 0 "[ . 1 . 2]" 1
970 1 54 ALA MB 1 82 TYR H . . 4.830 4.344 3.967 4.629 . 0 0 "[ . 1 . 2]" 1
971 1 55 ILE H 1 55 ILE HB . . 3.900 2.665 2.534 2.788 . 0 0 "[ . 1 . 2]" 1
972 1 55 ILE H 1 55 ILE MD . . 4.510 3.936 3.273 4.349 . 0 0 "[ . 1 . 2]" 1
973 1 55 ILE H 1 55 ILE HG13 . . 4.050 3.014 2.238 3.878 . 0 0 "[ . 1 . 2]" 1
974 1 55 ILE H 1 55 ILE MG . . 4.140 3.845 3.759 3.907 . 0 0 "[ . 1 . 2]" 1
975 1 55 ILE H 1 80 ARG H . . 4.580 3.626 2.806 4.193 . 0 0 "[ . 1 . 2]" 1
976 1 55 ILE H 1 82 TYR QD . . 4.530 3.223 2.665 3.869 . 0 0 "[ . 1 . 2]" 1
977 1 55 ILE HA 1 55 ILE MD . . 3.670 3.167 2.151 3.659 . 0 0 "[ . 1 . 2]" 1
978 1 55 ILE HA 1 55 ILE HG12 . . 4.050 2.701 2.459 3.282 . 0 0 "[ . 1 . 2]" 1
979 1 55 ILE HA 1 55 ILE HG13 . . 3.810 3.586 3.398 3.887 0.077 19 0 "[ . 1 . 2]" 1
980 1 55 ILE HA 1 55 ILE MG . . 3.440 2.306 2.159 2.383 . 0 0 "[ . 1 . 2]" 1
981 1 55 ILE HA 1 56 THR H . . 3.220 2.333 2.179 2.409 . 0 0 "[ . 1 . 2]" 1
982 1 55 ILE HA 1 56 THR MG . . 3.790 3.779 3.519 3.860 0.070 1 0 "[ . 1 . 2]" 1
983 1 55 ILE HA 1 61 LYS HA . . 3.760 2.661 1.996 3.608 . 0 0 "[ . 1 . 2]" 1
984 1 55 ILE HA 1 62 HIS H . . 4.680 3.652 3.107 4.211 . 0 0 "[ . 1 . 2]" 1
985 1 55 ILE HB 1 55 ILE MD . . 3.450 2.804 2.582 3.215 . 0 0 "[ . 1 . 2]" 1
986 1 55 ILE HB 1 80 ARG H . . 4.640 4.520 4.002 4.655 0.015 9 0 "[ . 1 . 2]" 1
987 1 55 ILE HB 1 82 TYR QD . . 4.250 3.923 3.250 4.244 . 0 0 "[ . 1 . 2]" 1
988 1 55 ILE HB 1 82 TYR QE . . 3.620 2.693 2.277 3.361 . 0 0 "[ . 1 . 2]" 1
989 1 55 ILE MD 1 55 ILE MG . . 2.790 1.842 1.757 1.991 . 0 0 "[ . 1 . 2]" 1
990 1 55 ILE MD 1 56 THR H . . 4.450 4.307 3.744 4.531 0.081 15 0 "[ . 1 . 2]" 1
991 1 55 ILE MD 1 60 GLU HA . . 4.570 4.494 4.129 4.631 0.061 19 0 "[ . 1 . 2]" 1
992 1 55 ILE MD 1 61 LYS HA . . 3.970 2.548 1.756 3.169 . 0 0 "[ . 1 . 2]" 1
993 1 55 ILE MD 1 61 LYS QB . . 5.500 2.969 1.619 3.779 . 0 0 "[ . 1 . 2]" 1
994 1 55 ILE MD 1 61 LYS QD . . 3.260 3.053 1.904 3.378 0.118 6 0 "[ . 1 . 2]" 1
995 1 55 ILE MD 1 61 LYS QE . . 3.480 2.790 1.897 3.529 0.049 8 0 "[ . 1 . 2]" 1
996 1 55 ILE MD 1 61 LYS QG . . 3.560 2.277 1.743 3.391 . 0 0 "[ . 1 . 2]" 1
997 1 55 ILE MD 1 62 HIS H . . 4.800 3.993 2.583 4.737 . 0 0 "[ . 1 . 2]" 1
998 1 55 ILE MD 1 82 TYR HB2 . . 4.400 3.822 3.279 4.429 0.029 15 0 "[ . 1 . 2]" 1
999 1 55 ILE MD 1 82 TYR QD . . 3.720 3.370 2.694 3.652 . 0 0 "[ . 1 . 2]" 1
1000 1 55 ILE MD 1 82 TYR QE . . 3.550 3.398 2.920 3.702 0.152 13 0 "[ . 1 . 2]" 1
1001 1 55 ILE HG12 1 61 LYS QB . . 4.570 3.784 3.130 4.557 . 0 0 "[ . 1 . 2]" 1
1002 1 55 ILE HG12 1 62 HIS H . . 4.910 3.639 2.749 4.906 . 0 0 "[ . 1 . 2]" 1
1003 1 55 ILE HG12 1 82 TYR QD . . 3.860 3.298 1.979 3.868 0.008 17 0 "[ . 1 . 2]" 1
1004 1 55 ILE HG13 1 55 ILE MG . . 3.720 2.950 2.358 3.204 . 0 0 "[ . 1 . 2]" 1
1005 1 55 ILE HG13 1 82 TYR QD . . 3.640 2.535 2.049 3.319 . 0 0 "[ . 1 . 2]" 1
1006 1 55 ILE HG13 1 82 TYR QE . . 3.560 2.695 1.973 3.364 . 0 0 "[ . 1 . 2]" 1
1007 1 55 ILE MG 1 56 THR H . . 3.730 2.186 1.896 3.310 . 0 0 "[ . 1 . 2]" 1
1008 1 55 ILE MG 1 56 THR MG . . 4.080 3.269 3.020 3.657 . 0 0 "[ . 1 . 2]" 1
1009 1 55 ILE MG 1 59 GLY H . . 4.240 3.621 2.857 4.271 0.031 13 0 "[ . 1 . 2]" 1
1010 1 55 ILE MG 1 59 GLY HA2 . . 4.020 2.574 2.170 2.733 . 0 0 "[ . 1 . 2]" 1
1011 1 55 ILE MG 1 59 GLY HA3 . . 3.720 3.903 3.486 4.077 0.357 10 0 "[ . 1 . 2]" 1
1012 1 55 ILE MG 1 60 GLU H . . 4.560 2.292 1.726 4.015 . 0 0 "[ . 1 . 2]" 1
1013 1 55 ILE MG 1 60 GLU HA . . 4.110 3.628 3.344 4.110 . 0 0 "[ . 1 . 2]" 1
1014 1 55 ILE MG 1 61 LYS HA . . 4.370 2.936 2.671 3.416 . 0 0 "[ . 1 . 2]" 1
1015 1 55 ILE MG 1 61 LYS QB . . 4.700 3.996 3.215 4.395 . 0 0 "[ . 1 . 2]" 1
1016 1 55 ILE MG 1 61 LYS QE . . 4.690 4.018 2.970 4.729 0.039 6 0 "[ . 1 . 2]" 1
1017 1 55 ILE MG 1 82 TYR QE . . 4.160 3.956 3.644 4.179 0.019 14 0 "[ . 1 . 2]" 1
1018 1 56 THR H 1 56 THR MG . . 3.070 2.019 1.906 2.229 . 0 0 "[ . 1 . 2]" 1
1019 1 56 THR H 1 59 GLY H . . 3.500 3.966 3.482 4.695 1.195 10 8 "[ -** * + ** . *2]" 1
1020 1 56 THR H 1 60 GLU H . . 4.120 2.642 2.174 4.148 0.028 8 0 "[ . 1 . 2]" 1
1021 1 56 THR MG 1 57 PHE HA . . 4.470 4.424 4.250 4.527 0.057 10 0 "[ . 1 . 2]" 1
1022 1 56 THR MG 1 59 GLY H . . 4.560 2.565 1.906 4.265 . 0 0 "[ . 1 . 2]" 1
1023 1 56 THR MG 1 60 GLU H . . 3.990 2.456 1.883 3.031 . 0 0 "[ . 1 . 2]" 1
1024 1 56 THR MG 1 60 GLU HA . . 4.390 4.119 3.698 4.362 . 0 0 "[ . 1 . 2]" 1
1025 1 56 THR MG 1 60 GLU QB . . 3.220 2.156 1.828 3.085 . 0 0 "[ . 1 . 2]" 1
1026 1 56 THR MG 1 60 GLU QG . . 3.970 3.173 1.780 3.783 . 0 0 "[ . 1 . 2]" 1
1027 1 57 PHE HA 1 57 PHE QD . . 3.960 2.778 1.995 3.758 . 0 0 "[ . 1 . 2]" 1
1028 1 58 SER HB2 1 60 GLU QG . . 4.610 4.273 3.335 4.814 0.204 17 0 "[ . 1 . 2]" 1
1029 1 58 SER HB3 1 59 GLY H . . 4.690 2.998 2.215 4.237 . 0 0 "[ . 1 . 2]" 1
1030 1 58 SER HB3 1 60 GLU QG . . 4.830 3.897 3.178 4.750 . 0 0 "[ . 1 . 2]" 1
1031 1 59 GLY H 1 60 GLU H . . 2.500 2.632 2.425 3.112 0.612 5 1 "[ + 1 . 2]" 1
1032 1 59 GLY H 1 60 GLU QB . . 4.690 3.764 3.365 4.722 0.032 5 0 "[ . 1 . 2]" 1
1033 1 60 GLU H 1 60 GLU QB . . 3.340 2.632 2.087 2.934 . 0 0 "[ . 1 . 2]" 1
1034 1 60 GLU H 1 60 GLU QG . . 3.470 3.299 2.574 3.539 0.069 10 0 "[ . 1 . 2]" 1
1035 1 60 GLU H 1 61 LYS H . . 4.670 4.188 3.869 4.665 . 0 0 "[ . 1 . 2]" 1
1036 1 60 GLU HA 1 60 GLU QG . . 3.090 2.343 2.074 3.275 0.185 11 0 "[ . 1 . 2]" 1
1037 1 60 GLU HA 1 61 LYS H . . 2.920 2.227 2.202 2.395 . 0 0 "[ . 1 . 2]" 1
1038 1 60 GLU HA 1 61 LYS HA . . 4.630 4.374 4.339 4.419 . 0 0 "[ . 1 . 2]" 1
1039 1 60 GLU HA 1 61 LYS QB . . 4.520 4.256 4.137 4.643 0.123 19 0 "[ . 1 . 2]" 1
1040 1 60 GLU HA 1 61 LYS QG . . 4.650 4.279 3.376 4.542 . 0 0 "[ . 1 . 2]" 1
1041 1 60 GLU QB 1 61 LYS H . . 3.750 3.374 2.931 3.696 . 0 0 "[ . 1 . 2]" 1
1042 1 60 GLU QG 1 61 LYS H . . 3.940 3.823 2.921 4.017 0.077 10 0 "[ . 1 . 2]" 1
1043 1 61 LYS H 1 61 LYS QB . . 3.670 2.297 2.098 2.754 . 0 0 "[ . 1 . 2]" 1
1044 1 61 LYS H 1 61 LYS QD . . 4.480 3.682 2.535 4.464 . 0 0 "[ . 1 . 2]" 1
1045 1 61 LYS H 1 61 LYS QG . . 4.120 2.690 2.150 3.128 . 0 0 "[ . 1 . 2]" 1
1046 1 61 LYS HA 1 61 LYS QD . . 4.260 3.994 2.874 4.418 0.158 12 0 "[ . 1 . 2]" 1
1047 1 61 LYS HA 1 61 LYS QG . . 3.870 2.538 2.118 3.316 . 0 0 "[ . 1 . 2]" 1
1048 1 61 LYS HA 1 62 HIS H . . 3.590 2.319 2.245 2.430 . 0 0 "[ . 1 . 2]" 1
1049 1 61 LYS QB 1 61 LYS QE . . 4.420 3.063 2.173 3.698 . 0 0 "[ . 1 . 2]" 1
1050 1 61 LYS QB 1 62 HIS H . . 4.460 2.890 2.618 3.114 . 0 0 "[ . 1 . 2]" 1
1051 1 61 LYS QD 1 84 TYR QE . . 3.880 2.708 1.992 3.882 0.002 6 0 "[ . 1 . 2]" 1
1052 1 61 LYS QE 1 84 TYR QE . . 4.590 3.643 1.983 4.538 . 0 0 "[ . 1 . 2]" 1
1053 1 61 LYS QG 1 62 HIS H . . 4.770 3.636 3.382 4.440 . 0 0 "[ . 1 . 2]" 1
1054 1 62 HIS H 1 62 HIS HB2 . . 3.910 2.849 2.738 3.028 . 0 0 "[ . 1 . 2]" 1
1055 1 62 HIS H 1 62 HIS HB3 . . 3.860 3.363 3.042 3.569 . 0 0 "[ . 1 . 2]" 1
1056 1 62 HIS HB3 1 64 LEU QD . . 4.430 3.435 2.752 3.838 . 0 0 "[ . 1 . 2]" 1
1057 1 62 HIS HD2 1 64 LEU QD . . 4.090 3.878 2.579 4.016 . 0 0 "[ . 1 . 2]" 1
1058 1 63 GLU H 1 63 GLU HB2 . . 3.840 2.500 2.156 3.018 . 0 0 "[ . 1 . 2]" 1
1059 1 63 GLU H 1 63 GLU QG . . 4.410 3.928 3.566 4.093 . 0 0 "[ . 1 . 2]" 1
1060 1 63 GLU H 1 64 LEU H . . 4.700 4.378 2.401 4.620 . 0 0 "[ . 1 . 2]" 1
1061 1 63 GLU HA 1 63 GLU QG . . 3.020 2.192 1.985 2.482 . 0 0 "[ . 1 . 2]" 1
1062 1 63 GLU HA 1 64 LEU H . . 3.180 2.321 2.201 3.343 0.163 15 0 "[ . 1 . 2]" 1
1063 1 63 GLU HA 1 64 LEU QD . . 3.920 2.968 2.630 3.315 . 0 0 "[ . 1 . 2]" 1
1064 1 63 GLU HB2 1 64 LEU H . . 4.410 4.385 4.160 4.618 0.208 6 0 "[ . 1 . 2]" 1
1065 1 63 GLU HB2 1 92 LEU QD . . 3.820 2.849 1.961 3.808 . 0 0 "[ . 1 . 2]" 1
1066 1 63 GLU HB3 1 64 LEU H . . 4.660 3.867 2.891 4.451 . 0 0 "[ . 1 . 2]" 1
1067 1 63 GLU HB3 1 92 LEU QD . . 4.360 3.764 3.196 4.169 . 0 0 "[ . 1 . 2]" 1
1068 1 63 GLU QG 1 64 LEU H . . 4.340 2.827 1.991 4.409 0.069 15 0 "[ . 1 . 2]" 1
1069 1 63 GLU QG 1 64 LEU QD . . 4.040 3.850 3.511 4.040 0.000 11 0 "[ . 1 . 2]" 1
1070 1 63 GLU QG 1 92 LEU QD . . 3.900 2.064 1.850 2.620 . 0 0 "[ . 1 . 2]" 1
1071 1 64 LEU H 1 64 LEU HB3 . . 4.080 3.685 3.485 3.853 . 0 0 "[ . 1 . 2]" 1
1072 1 64 LEU H 1 64 LEU QD . . 3.600 2.200 1.874 2.943 . 0 0 "[ . 1 . 2]" 1
1073 1 64 LEU H 1 64 LEU HG . . 3.800 2.940 1.959 4.020 0.220 13 0 "[ . 1 . 2]" 1
1074 1 64 LEU HA 1 64 LEU QD . . 3.830 2.937 1.942 3.291 . 0 0 "[ . 1 . 2]" 1
1075 1 64 LEU HA 1 64 LEU HG . . 3.600 3.084 2.810 3.692 0.092 11 0 "[ . 1 . 2]" 1
1076 1 64 LEU HA 1 65 GLN H . . 3.300 3.031 2.886 3.367 0.067 13 0 "[ . 1 . 2]" 1
1077 1 64 LEU HA 1 65 GLN HG2 . . 4.480 4.500 4.458 4.516 0.036 10 0 "[ . 1 . 2]" 1
1078 1 64 LEU HB2 1 64 LEU QD . . 2.980 2.022 1.934 2.188 . 0 0 "[ . 1 . 2]" 1
1079 1 64 LEU HB2 1 65 GLN H . . 4.220 2.187 2.069 2.248 . 0 0 "[ . 1 . 2]" 1
1080 1 64 LEU HB2 1 68 ASP HB2 . . 4.250 2.998 2.721 3.166 . 0 0 "[ . 1 . 2]" 1
1081 1 64 LEU HB2 1 68 ASP HB3 . . 4.330 3.065 2.620 3.530 . 0 0 "[ . 1 . 2]" 1
1082 1 64 LEU HB3 1 64 LEU QD . . 3.250 2.151 1.985 2.443 . 0 0 "[ . 1 . 2]" 1
1083 1 64 LEU HB3 1 65 GLN H . . 4.370 2.251 1.897 2.458 . 0 0 "[ . 1 . 2]" 1
1084 1 64 LEU HB3 1 68 ASP HB3 . . 4.750 3.201 2.244 3.902 . 0 0 "[ . 1 . 2]" 1
1085 1 64 LEU QD 1 65 GLN H . . 3.930 3.524 3.480 3.581 . 0 0 "[ . 1 . 2]" 1
1086 1 64 LEU QD 1 68 ASP HB2 . . 3.830 3.680 3.584 3.855 0.025 13 0 "[ . 1 . 2]" 1
1087 1 64 LEU QD 1 68 ASP HB3 . . 3.580 3.234 2.828 3.494 . 0 0 "[ . 1 . 2]" 1
1088 1 64 LEU HG 1 65 GLN H . . 4.610 4.453 4.022 4.626 0.016 6 0 "[ . 1 . 2]" 1
1089 1 65 GLN H 1 65 GLN HB2 . . 3.750 2.479 2.267 2.925 . 0 0 "[ . 1 . 2]" 1
1090 1 65 GLN H 1 65 GLN HB3 . . 3.950 3.616 3.493 3.881 . 0 0 "[ . 1 . 2]" 1
1091 1 65 GLN H 1 65 GLN HG2 . . 3.700 3.755 3.551 4.047 0.347 14 0 "[ . 1 . 2]" 1
1092 1 65 GLN H 1 65 GLN HG3 . . 3.630 3.723 3.653 3.867 0.237 19 0 "[ . 1 . 2]" 1
1093 1 65 GLN H 1 66 PRO QD . . 4.730 4.315 4.278 4.329 . 0 0 "[ . 1 . 2]" 1
1094 1 65 GLN H 1 68 ASP HB2 . . 3.720 2.002 1.852 2.229 . 0 0 "[ . 1 . 2]" 1
1095 1 65 GLN H 1 68 ASP HB3 . . 4.190 3.229 2.985 3.496 . 0 0 "[ . 1 . 2]" 1
1096 1 65 GLN HA 1 65 GLN HE21 . . 4.680 3.331 2.700 4.639 . 0 0 "[ . 1 . 2]" 1
1097 1 65 GLN HA 1 65 GLN HG2 . . 3.700 2.113 2.088 2.178 . 0 0 "[ . 1 . 2]" 1
1098 1 65 GLN HA 1 65 GLN HG3 . . 3.580 3.355 3.260 3.423 . 0 0 "[ . 1 . 2]" 1
1099 1 65 GLN HA 1 66 PRO HA . . 4.720 4.341 4.339 4.346 . 0 0 "[ . 1 . 2]" 1
1100 1 65 GLN HA 1 66 PRO QD . . 2.880 2.087 2.059 2.162 . 0 0 "[ . 1 . 2]" 1
1101 1 65 GLN HA 1 66 PRO HG3 . . 4.260 4.384 4.360 4.450 0.190 11 0 "[ . 1 . 2]" 1
1102 1 65 GLN HA 1 67 ASN H . . 4.820 3.929 3.909 3.950 . 0 0 "[ . 1 . 2]" 1
1103 1 65 GLN HB2 1 65 GLN HE21 . . 4.580 4.339 4.086 4.601 0.021 17 0 "[ . 1 . 2]" 1
1104 1 65 GLN HB2 1 66 PRO QD . . 3.520 3.391 3.165 3.472 . 0 0 "[ . 1 . 2]" 1
1105 1 65 GLN HB2 1 67 ASN H . . 4.370 3.066 2.810 3.205 . 0 0 "[ . 1 . 2]" 1
1106 1 65 GLN HB2 1 68 ASP H . . 4.600 3.106 2.290 4.013 . 0 0 "[ . 1 . 2]" 1
1107 1 65 GLN HB2 1 68 ASP HB3 . . 4.660 4.427 4.098 4.665 0.005 10 0 "[ . 1 . 2]" 1
1108 1 65 GLN HB3 1 66 PRO QD . . 3.190 1.855 1.575 1.966 . 0 0 "[ . 1 . 2]" 1
1109 1 65 GLN HB3 1 67 ASN H . . 4.160 2.252 2.121 2.631 . 0 0 "[ . 1 . 2]" 1
1110 1 65 GLN HB3 1 68 ASP H . . 4.850 3.380 3.098 4.131 . 0 0 "[ . 1 . 2]" 1
1111 1 65 GLN HE21 1 65 GLN HG2 . . 3.570 2.249 2.104 2.629 . 0 0 "[ . 1 . 2]" 1
1112 1 65 GLN HE22 1 65 GLN HG2 . . 3.860 3.507 3.447 3.673 . 0 0 "[ . 1 . 2]" 1
1113 1 65 GLN HG2 1 66 PRO QD . . 3.400 3.022 2.997 3.054 . 0 0 "[ . 1 . 2]" 1
1114 1 65 GLN HG3 1 66 PRO QD . . 3.880 3.950 3.885 4.014 0.134 13 0 "[ . 1 . 2]" 1
1115 1 66 PRO HA 1 68 ASP H . . 4.650 3.884 3.479 4.561 . 0 0 "[ . 1 . 2]" 1
1116 1 66 PRO HB2 1 67 ASN H . . 3.930 4.019 3.936 4.183 0.253 11 0 "[ . 1 . 2]" 1
1117 1 66 PRO QD 1 67 ASN H . . 3.960 2.658 2.545 2.910 . 0 0 "[ . 1 . 2]" 1
1118 1 66 PRO QD 1 68 ASP H . . 4.920 4.191 3.989 4.842 . 0 0 "[ . 1 . 2]" 1
1119 1 66 PRO HG2 1 67 ASN H . . 4.250 3.853 3.703 4.163 . 0 0 "[ . 1 . 2]" 1
1120 1 66 PRO HG3 1 67 ASN H . . 5.010 4.753 4.650 4.967 . 0 0 "[ . 1 . 2]" 1
1121 1 67 ASN H 1 67 ASN HB2 . . 3.480 3.226 2.301 3.574 0.094 11 0 "[ . 1 . 2]" 1
1122 1 67 ASN H 1 67 ASN HB3 . . 3.460 3.269 2.374 3.503 0.043 10 0 "[ . 1 . 2]" 1
1123 1 67 ASN H 1 68 ASP H . . 3.610 2.027 1.756 2.647 . 0 0 "[ . 1 . 2]" 1
1124 1 67 ASN H 1 68 ASP HB2 . . 4.040 3.706 3.433 3.914 . 0 0 "[ . 1 . 2]" 1
1125 1 67 ASN HB2 1 68 ASP H . . 4.880 3.944 3.323 4.593 . 0 0 "[ . 1 . 2]" 1
1126 1 67 ASN HB3 1 68 ASP H . . 4.530 4.211 2.864 4.670 0.140 12 0 "[ . 1 . 2]" 1
1127 1 68 ASP H 1 68 ASP HB3 . . 3.510 2.935 2.505 3.494 . 0 0 "[ . 1 . 2]" 1
1128 1 68 ASP HA 1 69 LEU H . . 3.640 2.348 2.252 3.441 . 0 0 "[ . 1 . 2]" 1
1129 1 68 ASP HB2 1 69 LEU H . . 4.780 4.436 4.124 4.644 . 0 0 "[ . 1 . 2]" 1
1130 1 68 ASP HB3 1 69 LEU H . . 4.740 3.811 3.113 4.319 . 0 0 "[ . 1 . 2]" 1
1131 1 69 LEU H 1 69 LEU QB . . 3.890 2.167 1.959 3.097 . 0 0 "[ . 1 . 2]" 1
1132 1 69 LEU H 1 69 LEU QD . . 3.990 3.019 2.103 3.335 . 0 0 "[ . 1 . 2]" 1
1133 1 69 LEU HA 1 69 LEU QD . . 2.930 1.935 1.857 2.059 . 0 0 "[ . 1 . 2]" 1
1134 1 69 LEU HA 1 69 LEU HG . . 3.550 2.998 2.576 3.654 0.104 10 0 "[ . 1 . 2]" 1
1135 1 69 LEU HA 1 70 VAL MG1 . . 4.580 4.281 3.652 4.603 0.023 7 0 "[ . 1 . 2]" 1
1136 1 69 LEU HA 1 70 VAL MG2 . . 4.050 3.143 2.966 3.592 . 0 0 "[ . 1 . 2]" 1
1137 1 69 LEU QB 1 70 VAL H . . 4.590 3.146 2.710 3.838 . 0 0 "[ . 1 . 2]" 1
1138 1 69 LEU QB 1 72 SER HB2 . . 3.730 3.381 2.200 4.525 0.795 16 4 "[ .* - 1 .+ * 2]" 1
1139 1 69 LEU QD 1 70 VAL H . . 3.730 2.932 1.896 3.545 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LEU QD 1 72 SER HB2 . . 4.240 3.368 2.088 4.341 0.101 6 0 "[ . 1 . 2]" 1
1141 1 69 LEU QD 1 72 SER HB3 . . 4.420 3.488 1.985 4.323 . 0 0 "[ . 1 . 2]" 1
1142 1 70 VAL H 1 70 VAL HB . . 4.070 3.428 3.246 3.661 . 0 0 "[ . 1 . 2]" 1
1143 1 70 VAL H 1 70 VAL MG1 . . 3.510 3.283 2.643 3.505 . 0 0 "[ . 1 . 2]" 1
1144 1 70 VAL H 1 70 VAL MG2 . . 3.400 1.833 1.775 1.865 . 0 0 "[ . 1 . 2]" 1
1145 1 70 VAL H 1 71 ILE H . . 4.860 2.733 1.922 3.686 . 0 0 "[ . 1 . 2]" 1
1146 1 71 ILE H 1 71 ILE HB . . 3.960 3.214 2.451 3.785 . 0 0 "[ . 1 . 2]" 1
1147 1 71 ILE H 1 71 ILE QG . . 4.460 3.783 1.965 4.366 . 0 0 "[ . 1 . 2]" 1
1148 1 71 ILE HA 1 71 ILE MD . . 4.040 3.335 2.225 3.863 . 0 0 "[ . 1 . 2]" 1
1149 1 71 ILE MD 1 71 ILE MG . . 3.030 2.451 1.804 3.016 . 0 0 "[ . 1 . 2]" 1
1150 1 71 ILE QG 1 71 ILE MG . . 3.310 2.211 1.967 2.536 . 0 0 "[ . 1 . 2]" 1
1151 1 72 SER H 1 72 SER HB2 . . 4.060 3.172 2.199 4.101 0.041 18 0 "[ . 1 . 2]" 1
1152 1 73 LYS HA 1 73 LYS QE . . 4.000 3.351 2.452 4.000 0.000 20 0 "[ . 1 . 2]" 1
1153 1 73 LYS HA 1 73 LYS HG2 . . 3.920 3.034 1.997 4.006 0.086 11 0 "[ . 1 . 2]" 1
1154 1 74 SER HB2 1 75 LEU QD . . 3.850 3.345 1.957 3.751 . 0 0 "[ . 1 . 2]" 1
1155 1 74 SER HB3 1 75 LEU QD . . 3.640 2.797 1.776 3.770 0.130 14 0 "[ . 1 . 2]" 1
1156 1 75 LEU H 1 76 GLU QB . . 3.540 3.415 3.078 3.581 0.041 10 0 "[ . 1 . 2]" 1
1157 1 75 LEU H 1 76 GLU QG . . 4.400 4.115 2.991 4.397 . 0 0 "[ . 1 . 2]" 1
1158 1 75 LEU HA 1 75 LEU QD . . 3.850 2.954 1.917 3.458 . 0 0 "[ . 1 . 2]" 1
1159 1 77 ALA MB 1 78 SER QB . . 4.130 3.795 3.302 4.143 0.013 11 0 "[ . 1 . 2]" 1
1160 1 79 GLY HA2 1 80 ARG H . . 3.490 2.844 2.209 3.644 0.154 12 0 "[ . 1 . 2]" 1
1161 1 80 ARG H 1 80 ARG HG3 . . 4.340 4.020 3.506 4.902 0.562 20 1 "[ . 1 . +]" 1
1162 1 80 ARG H 1 81 ILE H . . 4.120 4.122 3.990 4.282 0.162 3 0 "[ . 1 . 2]" 1
1163 1 80 ARG HA 1 81 ILE H . . 3.440 2.293 2.226 2.903 . 0 0 "[ . 1 . 2]" 1
1164 1 80 ARG HB3 1 81 ILE H . . 4.110 3.551 1.923 4.351 0.241 9 0 "[ . 1 . 2]" 1
1165 1 81 ILE H 1 81 ILE HB . . 3.750 2.370 2.234 2.549 . 0 0 "[ . 1 . 2]" 1
1166 1 81 ILE H 1 81 ILE MD . . 4.200 3.122 2.001 4.115 . 0 0 "[ . 1 . 2]" 1
1167 1 81 ILE H 1 81 ILE HG12 . . 4.070 3.166 2.256 4.311 0.241 19 0 "[ . 1 . 2]" 1
1168 1 81 ILE H 1 81 ILE HG13 . . 4.490 3.561 2.590 4.174 . 0 0 "[ . 1 . 2]" 1
1169 1 81 ILE H 1 81 ILE MG . . 4.000 3.703 3.625 3.789 . 0 0 "[ . 1 . 2]" 1
1170 1 81 ILE H 1 82 TYR H . . 4.670 4.589 4.468 4.635 . 0 0 "[ . 1 . 2]" 1
1171 1 81 ILE HB 1 81 ILE MD . . 3.520 2.737 2.007 3.208 . 0 0 "[ . 1 . 2]" 1
1172 1 81 ILE MD 1 82 TYR H . . 5.270 3.955 3.191 4.867 . 0 0 "[ . 1 . 2]" 1
1173 1 81 ILE HG12 1 81 ILE MG . . 3.390 2.806 2.056 3.238 . 0 0 "[ . 1 . 2]" 1
1174 1 81 ILE MG 1 82 TYR H . . 3.410 2.000 1.903 2.210 . 0 0 "[ . 1 . 2]" 1
1175 1 81 ILE MG 1 82 TYR HA . . 4.630 3.460 3.182 3.770 . 0 0 "[ . 1 . 2]" 1
1176 1 81 ILE MG 1 82 TYR HB2 . . 4.660 4.149 3.999 4.297 . 0 0 "[ . 1 . 2]" 1
1177 1 81 ILE MG 1 82 TYR HB3 . . 4.870 4.902 4.824 5.024 0.154 18 0 "[ . 1 . 2]" 1
1178 1 82 TYR H 1 82 TYR HB2 . . 3.880 2.519 2.320 2.749 . 0 0 "[ . 1 . 2]" 1
1179 1 82 TYR H 1 82 TYR HB3 . . 4.160 3.677 3.534 3.818 . 0 0 "[ . 1 . 2]" 1
1180 1 82 TYR H 1 82 TYR QD . . 3.740 2.760 2.463 3.110 . 0 0 "[ . 1 . 2]" 1
1181 1 82 TYR H 1 84 TYR QE . . 4.700 4.677 4.453 4.790 0.090 13 0 "[ . 1 . 2]" 1
1182 1 82 TYR HA 1 82 TYR QD . . 3.900 3.108 2.820 3.261 . 0 0 "[ . 1 . 2]" 1
1183 1 82 TYR HA 1 83 VAL H . . 3.230 2.552 2.245 2.614 . 0 0 "[ . 1 . 2]" 1
1184 1 82 TYR HA 1 83 VAL QG . . 4.150 3.395 2.983 3.885 . 0 0 "[ . 1 . 2]" 1
1185 1 82 TYR HA 1 84 TYR QE . . 4.700 4.635 4.441 4.887 0.187 18 0 "[ . 1 . 2]" 1
1186 1 82 TYR HB2 1 83 VAL H . . 4.530 3.594 3.362 4.225 . 0 0 "[ . 1 . 2]" 1
1187 1 82 TYR HB2 1 84 TYR QD . . 4.330 3.609 3.220 4.386 0.056 20 0 "[ . 1 . 2]" 1
1188 1 82 TYR HB2 1 84 TYR QE . . 3.400 2.291 1.987 2.639 . 0 0 "[ . 1 . 2]" 1
1189 1 82 TYR HB3 1 83 VAL H . . 4.130 2.390 2.233 3.200 . 0 0 "[ . 1 . 2]" 1
1190 1 82 TYR HB3 1 83 VAL QG . . 4.510 3.983 3.803 4.462 . 0 0 "[ . 1 . 2]" 1
1191 1 82 TYR HB3 1 84 TYR QD . . 4.150 3.333 2.924 4.179 0.029 20 0 "[ . 1 . 2]" 1
1192 1 82 TYR HB3 1 84 TYR QE . . 3.510 2.216 1.971 2.801 . 0 0 "[ . 1 . 2]" 1
1193 1 82 TYR QD 1 83 VAL H . . 4.460 3.775 3.411 4.246 . 0 0 "[ . 1 . 2]" 1
1194 1 82 TYR QD 1 84 TYR QE . . 3.720 3.456 2.775 3.733 0.013 18 0 "[ . 1 . 2]" 1
1195 1 83 VAL H 1 83 VAL HB . . 4.090 3.312 2.882 3.528 . 0 0 "[ . 1 . 2]" 1
1196 1 83 VAL H 1 83 VAL QG . . 3.150 2.025 1.876 2.282 . 0 0 "[ . 1 . 2]" 1
1197 1 83 VAL HA 1 83 VAL QG . . 3.200 2.362 2.143 2.486 . 0 0 "[ . 1 . 2]" 1
1198 1 83 VAL HA 1 84 TYR H . . 3.150 2.217 2.184 2.368 . 0 0 "[ . 1 . 2]" 1
1199 1 83 VAL HA 1 84 TYR HB2 . . 4.580 4.235 4.182 4.303 . 0 0 "[ . 1 . 2]" 1
1200 1 83 VAL HA 1 84 TYR QD . . 4.780 3.044 2.853 3.961 . 0 0 "[ . 1 . 2]" 1
1201 1 83 VAL HB 1 84 TYR H . . 4.250 4.159 3.922 4.301 0.051 13 0 "[ . 1 . 2]" 1
1202 1 83 VAL QG 1 84 TYR H . . 3.500 2.575 2.089 2.895 . 0 0 "[ . 1 . 2]" 1
1203 1 83 VAL QG 1 84 TYR HA . . 4.490 3.470 3.176 3.605 . 0 0 "[ . 1 . 2]" 1
1204 1 83 VAL QG 1 95 PHE QD . . 4.060 3.579 3.091 3.933 . 0 0 "[ . 1 . 2]" 1
1205 1 83 VAL QG 1 95 PHE QE . . 4.000 2.832 1.917 3.442 . 0 0 "[ . 1 . 2]" 1
1206 1 84 TYR H 1 84 TYR QD . . 4.830 2.663 2.380 3.721 . 0 0 "[ . 1 . 2]" 1
1207 1 84 TYR H 1 92 LEU QD . . 4.890 3.178 2.836 3.502 . 0 0 "[ . 1 . 2]" 1
1208 1 84 TYR HA 1 84 TYR QD . . 3.810 3.001 2.424 3.170 . 0 0 "[ . 1 . 2]" 1
1209 1 84 TYR HA 1 95 PHE QD . . 4.650 3.401 2.595 4.545 . 0 0 "[ . 1 . 2]" 1
1210 1 84 TYR HB2 1 85 ARG H . . 4.030 3.826 3.412 4.073 0.043 3 0 "[ . 1 . 2]" 1
1211 1 84 TYR HB2 1 92 LEU HB3 . . 4.200 2.473 1.786 2.813 . 0 0 "[ . 1 . 2]" 1
1212 1 84 TYR HB2 1 92 LEU QD . . 4.120 1.935 1.777 2.222 . 0 0 "[ . 1 . 2]" 1
1213 1 84 TYR HB3 1 85 ARG H . . 4.080 2.558 2.254 2.900 . 0 0 "[ . 1 . 2]" 1
1214 1 84 TYR HB3 1 92 LEU HB2 . . 4.420 3.762 3.668 4.122 . 0 0 "[ . 1 . 2]" 1
1215 1 84 TYR HB3 1 92 LEU HB3 . . 4.130 2.049 1.945 2.446 . 0 0 "[ . 1 . 2]" 1
1216 1 84 TYR HB3 1 92 LEU QD . . 3.790 2.054 1.875 2.576 . 0 0 "[ . 1 . 2]" 1
1217 1 84 TYR QD 1 85 ARG H . . 4.790 3.932 3.686 4.154 . 0 0 "[ . 1 . 2]" 1
1218 1 84 TYR QD 1 92 LEU HB2 . . 4.050 3.118 2.135 3.430 . 0 0 "[ . 1 . 2]" 1
1219 1 84 TYR QD 1 92 LEU HB3 . . 3.710 1.987 1.913 2.258 . 0 0 "[ . 1 . 2]" 1
1220 1 84 TYR QD 1 92 LEU QD . . 4.310 3.012 2.780 3.198 . 0 0 "[ . 1 . 2]" 1
1221 1 84 TYR QD 1 92 LEU HG . . 4.640 4.612 2.977 4.815 0.175 9 0 "[ . 1 . 2]" 1
1222 1 84 TYR QE 1 93 ASN HA . . 4.250 3.423 2.798 4.363 0.113 18 0 "[ . 1 . 2]" 1
1223 1 84 TYR QE 1 94 PRO HB3 . . 4.050 3.057 1.942 3.606 . 0 0 "[ . 1 . 2]" 1
1224 1 84 TYR QE 1 94 PRO HD2 . . 4.370 4.231 3.733 4.777 0.407 18 0 "[ . 1 . 2]" 1
1225 1 84 TYR QE 1 94 PRO HD3 . . 4.060 2.798 2.226 3.888 . 0 0 "[ . 1 . 2]" 1
1226 1 84 TYR QE 1 94 PRO QG . . 3.660 3.352 2.995 3.618 . 0 0 "[ . 1 . 2]" 1
1227 1 85 ARG H 1 85 ARG HB3 . . 3.930 3.062 2.324 3.695 . 0 0 "[ . 1 . 2]" 1
1228 1 85 ARG H 1 85 ARG HG2 . . 4.280 3.779 2.000 4.418 0.138 19 0 "[ . 1 . 2]" 1
1229 1 85 ARG H 1 85 ARG HG3 . . 4.420 3.394 1.943 4.496 0.076 5 0 "[ . 1 . 2]" 1
1230 1 85 ARG HA 1 86 LYS H . . 3.590 2.281 2.226 2.376 . 0 0 "[ . 1 . 2]" 1
1231 1 85 ARG HA 1 86 LYS HG2 . . 5.110 4.907 4.205 5.133 0.023 20 0 "[ . 1 . 2]" 1
1232 1 85 ARG HA 1 86 LYS HG3 . . 4.440 4.212 3.810 4.835 0.395 19 0 "[ . 1 . 2]" 1
1233 1 85 ARG HA 1 92 LEU QD . . 4.470 3.666 3.404 3.845 . 0 0 "[ . 1 . 2]" 1
1234 1 85 ARG HB2 1 85 ARG HD3 . . 4.200 3.180 2.002 4.200 . 0 0 "[ . 1 . 2]" 1
1235 1 85 ARG HB2 1 86 LYS H . . 4.200 4.075 3.176 4.580 0.380 5 0 "[ . 1 . 2]" 1
1236 1 85 ARG HB3 1 85 ARG HD3 . . 4.090 3.140 1.986 3.742 . 0 0 "[ . 1 . 2]" 1
1237 1 86 LYS H 1 86 LYS HB2 . . 3.620 2.327 2.209 2.467 . 0 0 "[ . 1 . 2]" 1
1238 1 86 LYS H 1 86 LYS HB3 . . 3.640 3.550 3.486 3.654 0.014 2 0 "[ . 1 . 2]" 1
1239 1 86 LYS H 1 86 LYS QD . . 4.530 4.286 4.032 4.453 . 0 0 "[ . 1 . 2]" 1
1240 1 86 LYS H 1 86 LYS HG2 . . 3.890 3.503 2.685 3.897 0.007 16 0 "[ . 1 . 2]" 1
1241 1 86 LYS H 1 86 LYS HG3 . . 3.690 2.863 2.487 3.193 . 0 0 "[ . 1 . 2]" 1
1242 1 86 LYS HA 1 86 LYS HG2 . . 3.830 2.219 2.122 2.338 . 0 0 "[ . 1 . 2]" 1
1243 1 86 LYS HA 1 86 LYS HG3 . . 4.230 3.167 2.995 3.546 . 0 0 "[ . 1 . 2]" 1
1244 1 86 LYS HA 1 92 LEU QD . . 3.700 2.290 1.969 2.564 . 0 0 "[ . 1 . 2]" 1
1245 1 86 LYS HB2 1 86 LYS QE . . 4.130 3.931 3.726 4.141 0.011 17 0 "[ . 1 . 2]" 1
1246 1 86 LYS HB2 1 92 LEU QD . . 4.240 4.061 3.796 4.226 . 0 0 "[ . 1 . 2]" 1
1247 1 86 LYS HB3 1 86 LYS QD . . 3.620 2.269 2.090 2.497 . 0 0 "[ . 1 . 2]" 1
1248 1 86 LYS HB3 1 86 LYS QE . . 4.300 3.077 2.560 3.989 . 0 0 "[ . 1 . 2]" 1
1249 1 86 LYS HB3 1 92 LEU QD . . 4.100 3.893 3.729 4.074 . 0 0 "[ . 1 . 2]" 1
1250 1 86 LYS QD 1 92 LEU QD . . 4.080 3.526 3.146 3.857 . 0 0 "[ . 1 . 2]" 1
1251 1 86 LYS QE 1 86 LYS HG2 . . 3.520 2.180 2.036 2.495 . 0 0 "[ . 1 . 2]" 1
1252 1 86 LYS QE 1 86 LYS HG3 . . 3.230 3.018 2.325 3.394 0.164 9 0 "[ . 1 . 2]" 1
1253 1 86 LYS QE 1 92 LEU QD . . 3.790 2.708 1.878 3.100 . 0 0 "[ . 1 . 2]" 1
1254 1 86 LYS HG2 1 92 LEU QD . . 3.740 2.001 1.778 2.236 . 0 0 "[ . 1 . 2]" 1
1255 1 86 LYS HG3 1 92 LEU QD . . 3.820 2.794 2.212 3.669 . 0 0 "[ . 1 . 2]" 1
1256 1 87 ASP H 1 87 ASP QB . . 3.920 2.813 2.136 3.363 . 0 0 "[ . 1 . 2]" 1
1257 1 87 ASP H 1 88 LEU H . . 4.650 3.639 2.187 4.364 . 0 0 "[ . 1 . 2]" 1
1258 1 87 ASP H 1 92 LEU QD . . 3.940 3.722 2.994 3.954 0.014 16 0 "[ . 1 . 2]" 1
1259 1 87 ASP QB 1 88 LEU H . . 4.230 2.152 1.746 3.161 . 0 0 "[ . 1 . 2]" 1
1260 1 87 ASP QB 1 88 LEU QD . . 4.600 3.104 2.196 3.775 . 0 0 "[ . 1 . 2]" 1
1261 1 87 ASP QB 1 88 LEU HG . . 4.800 3.774 2.690 4.942 0.142 9 0 "[ . 1 . 2]" 1
1262 1 88 LEU H 1 88 LEU HB2 . . 3.860 2.951 2.180 4.080 0.220 4 0 "[ . 1 . 2]" 1
1263 1 88 LEU H 1 88 LEU HB3 . . 4.100 3.614 3.288 4.082 . 0 0 "[ . 1 . 2]" 1
1264 1 88 LEU H 1 88 LEU QD . . 4.370 2.462 1.693 3.654 . 0 0 "[ . 1 . 2]" 1
1265 1 88 LEU H 1 88 LEU HG . . 3.990 3.081 1.984 4.077 0.087 6 0 "[ . 1 . 2]" 1
1266 1 88 LEU H 1 89 ALA H . . 4.240 3.470 1.873 4.339 0.099 8 0 "[ . 1 . 2]" 1
1267 1 88 LEU HA 1 88 LEU QD . . 2.950 2.414 1.855 3.199 0.249 6 0 "[ . 1 . 2]" 1
1268 1 88 LEU HA 1 88 LEU HG . . 3.830 3.244 2.449 3.951 0.121 8 0 "[ . 1 . 2]" 1
1269 1 88 LEU HA 1 89 ALA H . . 3.370 2.764 2.178 3.584 0.214 4 0 "[ . 1 . 2]" 1
1270 1 88 LEU HA 1 89 ALA MB . . 4.820 4.259 3.645 4.925 0.105 4 0 "[ . 1 . 2]" 1
1271 1 88 LEU HB2 1 88 LEU QD . . 3.000 2.238 1.951 2.569 . 0 0 "[ . 1 . 2]" 1
1272 1 88 LEU HB2 1 89 ALA H . . 4.550 3.942 2.264 4.622 0.072 3 0 "[ . 1 . 2]" 1
1273 1 88 LEU HB3 1 88 LEU QD . . 2.980 2.154 2.052 2.539 . 0 0 "[ . 1 . 2]" 1
1274 1 88 LEU HB3 1 89 ALA H . . 4.360 4.008 1.959 4.682 0.322 1 0 "[ . 1 . 2]" 1
1275 1 88 LEU QD 1 89 ALA H . . 4.550 3.672 2.739 4.349 . 0 0 "[ . 1 . 2]" 1
1276 1 88 LEU QD 1 89 ALA MB . . 4.520 3.931 1.963 4.610 0.090 5 0 "[ . 1 . 2]" 1
1277 1 89 ALA H 1 89 ALA MB . . 3.140 2.627 2.209 2.997 . 0 0 "[ . 1 . 2]" 1
1278 1 89 ALA MB 1 90 ASP H . . 4.650 2.342 1.861 3.422 . 0 0 "[ . 1 . 2]" 1
1279 1 89 ALA MB 1 91 THR H . . 4.040 2.853 2.220 3.337 . 0 0 "[ . 1 . 2]" 1
1280 1 89 ALA MB 1 91 THR HB . . 4.360 3.705 2.770 4.416 0.056 8 0 "[ . 1 . 2]" 1
1281 1 90 ASP H 1 91 THR H . . 3.730 2.940 1.899 3.659 . 0 0 "[ . 1 . 2]" 1
1282 1 90 ASP HB2 1 91 THR H . . 4.510 3.584 2.083 4.432 . 0 0 "[ . 1 . 2]" 1
1283 1 90 ASP HB3 1 91 THR H . . 4.570 3.586 2.022 4.463 . 0 0 "[ . 1 . 2]" 1
1284 1 91 THR H 1 91 THR HB . . 3.660 2.869 2.590 3.690 0.030 8 0 "[ . 1 . 2]" 1
1285 1 91 THR H 1 91 THR MG . . 3.730 3.475 2.263 3.791 0.061 19 0 "[ . 1 . 2]" 1
1286 1 91 THR H 1 92 LEU H . . 3.500 4.578 4.264 4.674 1.174 15 20 [*********-****+*****] 1
1287 1 91 THR HA 1 91 THR HB . . 2.880 2.964 2.527 3.056 0.176 13 0 "[ . 1 . 2]" 1
1288 1 91 THR HA 1 91 THR MG . . 3.050 2.218 2.009 3.230 0.180 10 0 "[ . 1 . 2]" 1
1289 1 91 THR HA 1 92 LEU H . . 3.170 2.478 2.301 2.880 . 0 0 "[ . 1 . 2]" 1
1290 1 91 THR HA 1 92 LEU HB2 . . 4.210 4.217 4.067 4.441 0.231 20 0 "[ . 1 . 2]" 1
1291 1 91 THR HA 1 92 LEU HG . . 4.410 4.190 3.710 4.871 0.461 18 0 "[ . 1 . 2]" 1
1292 1 91 THR HB 1 92 LEU H . . 3.520 3.290 2.475 3.550 0.030 10 0 "[ . 1 . 2]" 1
1293 1 91 THR HB 1 93 ASN HD21 . . 4.760 4.093 2.979 5.098 0.338 10 0 "[ . 1 . 2]" 1
1294 1 91 THR MG 1 92 LEU H . . 3.730 2.353 1.874 3.760 0.030 8 0 "[ . 1 . 2]" 1
1295 1 91 THR MG 1 93 ASN HD21 . . 4.550 4.020 3.184 4.565 0.015 13 0 "[ . 1 . 2]" 1
1296 1 91 THR MG 1 93 ASN HD22 . . 4.100 3.519 1.945 4.232 0.132 18 0 "[ . 1 . 2]" 1
1297 1 92 LEU H 1 92 LEU HA . . 2.800 2.923 2.883 2.939 0.139 1 0 "[ . 1 . 2]" 1
1298 1 92 LEU H 1 92 LEU HB2 . . 3.880 2.524 2.187 2.851 . 0 0 "[ . 1 . 2]" 1
1299 1 92 LEU H 1 92 LEU QD . . 4.250 3.636 2.505 3.856 . 0 0 "[ . 1 . 2]" 1
1300 1 92 LEU H 1 92 LEU HG . . 3.800 3.649 3.445 3.874 0.074 18 0 "[ . 1 . 2]" 1
1301 1 92 LEU HA 1 92 LEU QD . . 3.310 1.966 1.892 2.222 . 0 0 "[ . 1 . 2]" 1
1302 1 92 LEU HB2 1 92 LEU QD . . 3.090 2.323 2.134 2.585 . 0 0 "[ . 1 . 2]" 1
1303 1 92 LEU HB3 1 92 LEU QD . . 3.110 2.080 2.037 2.140 . 0 0 "[ . 1 . 2]" 1
1304 1 93 ASN HA 1 94 PRO HD2 . . 3.110 2.591 2.434 2.773 . 0 0 "[ . 1 . 2]" 1
1305 1 93 ASN HA 1 94 PRO HD3 . . 3.250 1.996 1.969 2.060 . 0 0 "[ . 1 . 2]" 1
1306 1 93 ASN HA 1 94 PRO QG . . 4.200 3.925 3.874 4.001 . 0 0 "[ . 1 . 2]" 1
1307 1 93 ASN HB2 1 94 PRO HD2 . . 3.990 3.915 3.421 4.037 0.047 13 0 "[ . 1 . 2]" 1
1308 1 93 ASN HB2 1 94 PRO HD3 . . 4.620 4.502 4.199 4.571 . 0 0 "[ . 1 . 2]" 1
1309 1 93 ASN HB3 1 94 PRO HD2 . . 3.640 2.578 2.272 2.909 . 0 0 "[ . 1 . 2]" 1
1310 1 93 ASN HB3 1 94 PRO HD3 . . 4.130 3.532 3.255 3.773 . 0 0 "[ . 1 . 2]" 1
1311 1 93 ASN HB3 1 94 PRO QG . . 4.680 4.434 4.144 4.749 0.069 13 0 "[ . 1 . 2]" 1
1312 1 95 PHE HA 1 95 PHE QD . . 4.090 2.685 2.305 3.074 . 0 0 "[ . 1 . 2]" 1
1313 1 95 PHE HB2 1 96 ALA H . . 4.860 3.484 1.956 4.293 . 0 0 "[ . 1 . 2]" 1
1314 1 95 PHE HB3 1 96 ALA H . . 4.650 2.380 1.943 3.259 . 0 0 "[ . 1 . 2]" 1
1315 1 95 PHE QD 1 96 ALA MB . . 4.630 4.436 3.791 4.743 0.113 18 0 "[ . 1 . 2]" 1
1316 1 96 ALA H 1 96 ALA MB . . 3.320 2.510 2.100 2.894 . 0 0 "[ . 1 . 2]" 1
1317 1 96 ALA MB 1 97 GLU H . . 4.340 3.064 1.924 3.789 . 0 0 "[ . 1 . 2]" 1
1318 1 97 GLU HA 1 97 GLU QG . . 3.070 2.140 1.982 2.407 . 0 0 "[ . 1 . 2]" 1
1319 1 100 GLY HA2 1 101 PRO QD . . 3.030 2.214 1.880 3.093 0.063 16 0 "[ . 1 . 2]" 1
1320 1 100 GLY HA2 1 101 PRO QG . . 4.890 4.170 3.835 4.954 0.064 16 0 "[ . 1 . 2]" 1
1321 1 100 GLY HA3 1 101 PRO QD . . 3.130 2.442 1.859 3.165 0.035 11 0 "[ . 1 . 2]" 1
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