NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573308 |
2mah   |
19354 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mah
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 1296
_Distance_constraint_stats_list.Viol_count 3689
_Distance_constraint_stats_list.Viol_total 4006.975
_Distance_constraint_stats_list.Viol_max 0.741
_Distance_constraint_stats_list.Viol_rms 0.0272
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0077
_Distance_constraint_stats_list.Viol_average_violations_only 0.0543
_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 2 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.065 0.031 19 0 "[ . 1 . 2]"
1 4 VAL 1.860 0.146 20 0 "[ . 1 . 2]"
1 5 PRO 0.786 0.324 16 0 "[ . 1 . 2]"
1 6 ARG 1.102 0.324 16 0 "[ . 1 . 2]"
1 8 SER 0.175 0.055 1 0 "[ . 1 . 2]"
1 9 HIS 0.069 0.029 4 0 "[ . 1 . 2]"
1 10 MET 1.135 0.264 19 0 "[ . 1 . 2]"
1 11 VAL 8.321 0.272 19 0 "[ . 1 . 2]"
1 12 ARG 5.127 0.251 7 0 "[ . 1 . 2]"
1 13 ARG 1.182 0.251 7 0 "[ . 1 . 2]"
1 14 ALA 0.971 0.111 3 0 "[ . 1 . 2]"
1 15 ARG 0.250 0.060 6 0 "[ . 1 . 2]"
1 16 CYS 2.078 0.154 18 0 "[ . 1 . 2]"
1 17 TYR 3.551 0.179 20 0 "[ . 1 . 2]"
1 18 PRO 3.510 0.207 5 0 "[ . 1 . 2]"
1 19 THR 6.257 0.179 20 0 "[ . 1 . 2]"
1 20 SER 0.375 0.058 10 0 "[ . 1 . 2]"
1 21 ASN 2.506 0.152 4 0 "[ . 1 . 2]"
1 22 ALA 5.055 0.152 4 0 "[ . 1 . 2]"
1 23 THR 4.875 0.150 7 0 "[ . 1 . 2]"
1 24 ASN 4.383 0.139 3 0 "[ . 1 . 2]"
1 25 THR 7.343 0.215 3 0 "[ . 1 . 2]"
1 26 CYS 2.785 0.099 7 0 "[ . 1 . 2]"
1 27 PHE 4.081 0.169 4 0 "[ . 1 . 2]"
1 28 GLY 0.888 0.123 4 0 "[ . 1 . 2]"
1 29 SER 1.335 0.146 12 0 "[ . 1 . 2]"
1 30 LYS 6.537 0.189 17 0 "[ . 1 . 2]"
1 31 LEU 6.720 0.215 3 0 "[ . 1 . 2]"
1 32 PRO 0.737 0.075 15 0 "[ . 1 . 2]"
1 33 TYR 8.507 0.214 12 0 "[ . 1 . 2]"
1 34 GLU 0.356 0.090 12 0 "[ . 1 . 2]"
1 35 LEU 6.111 0.207 5 0 "[ . 1 . 2]"
1 36 SER 2.071 0.137 12 0 "[ . 1 . 2]"
1 37 SER 1.146 0.103 5 0 "[ . 1 . 2]"
1 38 LEU 2.873 0.115 10 0 "[ . 1 . 2]"
1 39 ASP 0.443 0.069 6 0 "[ . 1 . 2]"
1 40 LEU 3.715 0.166 6 0 "[ . 1 . 2]"
1 41 THR 4.549 0.174 20 0 "[ . 1 . 2]"
1 42 ASP 0.398 0.226 14 0 "[ . 1 . 2]"
1 43 PHE 7.011 0.236 14 0 "[ . 1 . 2]"
1 44 HIS 0.572 0.235 11 0 "[ . 1 . 2]"
1 45 THR 1.898 0.100 5 0 "[ . 1 . 2]"
1 46 GLU 1.643 0.061 11 0 "[ . 1 . 2]"
1 47 LYS 1.102 0.372 16 0 "[ . 1 . 2]"
1 48 GLU 4.183 0.236 14 0 "[ . 1 . 2]"
1 49 LEU 2.351 0.126 10 0 "[ . 1 . 2]"
1 50 ASN 3.953 0.134 11 0 "[ . 1 . 2]"
1 51 ASP 0.268 0.196 7 0 "[ . 1 . 2]"
1 52 LYS 4.806 0.250 19 0 "[ . 1 . 2]"
1 53 LEU 9.440 0.202 7 0 "[ . 1 . 2]"
1 54 ASN 1.914 0.196 7 0 "[ . 1 . 2]"
1 55 ASP 2.384 0.235 20 0 "[ . 1 . 2]"
1 56 TYR 3.144 0.128 18 0 "[ . 1 . 2]"
1 57 TYR 6.066 0.202 7 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 3.411 0.128 18 0 "[ . 1 . 2]"
1 60 LYS 4.927 0.178 7 0 "[ . 1 . 2]"
1 61 HIS 0.576 0.065 15 0 "[ . 1 . 2]"
1 62 VAL 0.451 0.082 7 0 "[ . 1 . 2]"
1 63 PRO 0.331 0.098 11 0 "[ . 1 . 2]"
1 64 LYS 0.327 0.098 11 0 "[ . 1 . 2]"
1 65 CYS 2.478 0.210 6 0 "[ . 1 . 2]"
1 66 TRP 3.441 0.130 8 0 "[ . 1 . 2]"
1 67 ALA 3.296 0.191 14 0 "[ . 1 . 2]"
1 68 ALA 0.095 0.044 15 0 "[ . 1 . 2]"
1 69 ILE 10.286 0.220 11 0 "[ . 1 . 2]"
1 70 GLN 7.985 0.191 14 0 "[ . 1 . 2]"
1 71 PRO 1.379 0.138 16 0 "[ . 1 . 2]"
1 72 PHE 12.708 0.260 13 0 "[ . 1 . 2]"
1 73 LEU 9.569 0.269 15 0 "[ . 1 . 2]"
1 74 CYS 3.106 0.136 9 0 "[ . 1 . 2]"
1 75 ALA 6.219 0.223 9 0 "[ . 1 . 2]"
1 76 VAL 9.350 0.294 10 0 "[ . 1 . 2]"
1 77 PHE 26.982 0.294 10 0 "[ . 1 . 2]"
1 78 LYS 10.469 0.187 13 0 "[ . 1 . 2]"
1 79 PRO 0.461 0.066 18 0 "[ . 1 . 2]"
1 80 LYS 6.943 0.232 14 0 "[ . 1 . 2]"
1 81 CYS 1.937 0.190 3 0 "[ . 1 . 2]"
1 82 GLU 3.451 0.183 14 0 "[ . 1 . 2]"
1 83 LYS 1.733 0.066 4 0 "[ . 1 . 2]"
1 84 ILE 1.333 0.182 4 0 "[ . 1 . 2]"
1 85 ASN 0.717 0.182 4 0 "[ . 1 . 2]"
1 86 GLY 1.937 0.069 3 0 "[ . 1 . 2]"
1 87 GLU 1.857 0.105 8 0 "[ . 1 . 2]"
1 88 ASP 1.889 0.134 6 0 "[ . 1 . 2]"
1 89 MET 3.789 0.131 20 0 "[ . 1 . 2]"
1 90 VAL 4.960 0.236 5 0 "[ . 1 . 2]"
1 91 TYR 5.792 0.194 15 0 "[ . 1 . 2]"
1 92 LEU 4.330 0.272 19 0 "[ . 1 . 2]"
1 93 PRO 3.623 0.260 13 0 "[ . 1 . 2]"
1 94 SER 0.514 0.068 19 0 "[ . 1 . 2]"
1 95 TYR 0.766 0.082 4 0 "[ . 1 . 2]"
1 96 GLU 0.416 0.147 8 0 "[ . 1 . 2]"
1 97 MET 1.845 0.135 15 0 "[ . 1 . 2]"
1 98 CYS 0.148 0.053 8 0 "[ . 1 . 2]"
1 99 ARG 1.031 0.176 8 0 "[ . 1 . 2]"
1 100 ILE 2.299 0.176 8 0 "[ . 1 . 2]"
1 101 THR 0.854 0.202 17 0 "[ . 1 . 2]"
1 102 MET 0.865 0.114 17 0 "[ . 1 . 2]"
1 103 GLU 0.015 0.009 15 0 "[ . 1 . 2]"
1 104 PRO 1.852 0.247 9 0 "[ . 1 . 2]"
1 105 CYS 2.222 0.247 9 0 "[ . 1 . 2]"
1 106 ARG 2.084 0.154 7 0 "[ . 1 . 2]"
1 107 ILE 1.369 0.083 12 0 "[ . 1 . 2]"
1 108 LEU 0.233 0.042 15 0 "[ . 1 . 2]"
1 109 TYR 2.420 0.161 2 0 "[ . 1 . 2]"
1 110 ASN 3.117 0.303 15 0 "[ . 1 . 2]"
1 111 THR 2.610 0.330 12 0 "[ . 1 . 2]"
1 112 THR 0.014 0.012 1 0 "[ . 1 . 2]"
1 113 PHE 1.028 0.330 12 0 "[ . 1 . 2]"
1 114 PHE 1.727 0.199 8 0 "[ . 1 . 2]"
1 115 PRO 0.004 0.002 12 0 "[ . 1 . 2]"
1 116 LYS 1.960 0.204 15 0 "[ . 1 . 2]"
1 117 PHE 3.425 0.204 15 0 "[ . 1 . 2]"
1 118 LEU 2.263 0.197 15 0 "[ . 1 . 2]"
1 119 ARG 1.099 0.197 15 0 "[ . 1 . 2]"
1 120 CYS 1.642 0.141 15 0 "[ . 1 . 2]"
1 121 ASN 2.390 0.238 6 0 "[ . 1 . 2]"
1 122 GLU 1.848 0.337 17 0 "[ . 1 . 2]"
1 123 THR 1.298 0.317 17 0 "[ . 1 . 2]"
1 124 LEU 2.555 0.337 17 0 "[ . 1 . 2]"
1 125 PHE 0.721 0.153 18 0 "[ . 1 . 2]"
1 126 PRO 1.444 0.168 15 0 "[ . 1 . 2]"
1 127 THR 4.882 0.741 18 1 "[ . 1 . + 2]"
1 128 LYS 2.820 0.741 18 1 "[ . 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 2 GLY QA 1 3 LEU H . . 3.450 2.353 2.114 2.872 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY QA 1 3 LEU HB2 . . 4.360 4.069 3.710 4.297 . 0 0 "[ . 1 . 2]" 1
3 1 3 LEU H 1 3 LEU HB2 . . 3.280 2.704 2.118 3.268 . 0 0 "[ . 1 . 2]" 1
4 1 3 LEU H 1 4 VAL H . . 4.770 4.213 3.576 4.626 . 0 0 "[ . 1 . 2]" 1
5 1 3 LEU HA 1 3 LEU QD . . 3.290 2.460 1.847 3.049 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU HA 1 4 VAL H . . 3.050 2.348 2.139 2.528 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU HA 1 12 ARG QD . . 4.500 4.440 4.127 4.531 0.031 19 0 "[ . 1 . 2]" 1
8 1 3 LEU HB2 1 3 LEU QD . . 3.110 2.138 1.961 2.354 . 0 0 "[ . 1 . 2]" 1
9 1 3 LEU QD 1 12 ARG QD . . 4.700 3.401 2.328 4.529 . 0 0 "[ . 1 . 2]" 1
10 1 4 VAL H 1 4 VAL HB . . 3.660 2.828 2.251 3.707 0.047 20 0 "[ . 1 . 2]" 1
11 1 4 VAL H 1 5 PRO QD . . 4.800 4.268 4.165 4.377 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL HA 1 4 VAL MG1 . . 3.110 2.938 2.250 3.188 0.078 3 0 "[ . 1 . 2]" 1
13 1 4 VAL HA 1 4 VAL MG2 . . 3.630 2.433 1.935 3.195 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL HA 1 5 PRO QB . . 4.690 4.539 4.534 4.576 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL HA 1 5 PRO QD . . 4.820 1.959 1.928 2.109 . 0 0 "[ . 1 . 2]" 1
16 1 4 VAL HA 1 5 PRO QG . . 4.600 3.860 3.827 4.022 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL HB 1 11 VAL MG1 . . 3.900 3.800 3.347 4.046 0.146 20 0 "[ . 1 . 2]" 1
18 1 4 VAL HB 1 89 MET ME . . 3.210 2.867 1.919 3.261 0.051 16 0 "[ . 1 . 2]" 1
19 1 4 VAL MG1 1 5 PRO QD . . 4.050 3.230 1.874 3.825 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL MG1 1 11 VAL MG1 . . 3.860 2.984 1.937 3.894 0.034 4 0 "[ . 1 . 2]" 1
21 1 4 VAL MG2 1 5 PRO QD . . 4.470 2.306 1.864 3.523 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL MG2 1 5 PRO QG . . 4.700 3.554 2.982 4.808 0.108 16 0 "[ . 1 . 2]" 1
23 1 4 VAL MG2 1 11 VAL HB . . 4.330 3.409 1.891 4.315 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL MG2 1 11 VAL MG1 . . 4.430 3.711 3.018 4.257 . 0 0 "[ . 1 . 2]" 1
25 1 4 VAL MG2 1 89 MET ME . . 3.210 2.391 1.804 3.275 0.065 20 0 "[ . 1 . 2]" 1
26 1 5 PRO QB 1 6 ARG H . . 4.200 3.366 1.951 3.984 . 0 0 "[ . 1 . 2]" 1
27 1 5 PRO QD 1 6 ARG H . . 4.950 3.937 2.630 4.986 0.036 19 0 "[ . 1 . 2]" 1
28 1 5 PRO QD 1 6 ARG QG . . 5.060 4.391 3.447 5.384 0.324 16 0 "[ . 1 . 2]" 1
29 1 5 PRO QG 1 6 ARG H . . 5.500 3.701 1.739 4.754 . 0 0 "[ . 1 . 2]" 1
30 1 6 ARG HA 1 6 ARG QD . . 3.510 3.328 2.472 3.760 0.250 16 0 "[ . 1 . 2]" 1
31 1 6 ARG HA 1 6 ARG QG . . 2.840 2.320 2.016 2.814 . 0 0 "[ . 1 . 2]" 1
32 1 6 ARG QB 1 11 VAL MG2 . . 4.690 3.987 2.446 4.722 0.032 16 0 "[ . 1 . 2]" 1
33 1 6 ARG QD 1 11 VAL MG1 . . 4.850 4.644 3.906 4.965 0.115 16 0 "[ . 1 . 2]" 1
34 1 6 ARG QD 1 11 VAL MG2 . . 4.900 3.512 2.391 4.765 . 0 0 "[ . 1 . 2]" 1
35 1 6 ARG QG 1 11 VAL MG2 . . 4.880 3.845 1.991 4.882 0.002 14 0 "[ . 1 . 2]" 1
36 1 8 SER HA 1 8 SER QB . . 2.710 2.316 2.159 2.539 . 0 0 "[ . 1 . 2]" 1
37 1 8 SER HA 1 10 MET ME . . 4.040 3.989 3.513 4.095 0.055 1 0 "[ . 1 . 2]" 1
38 1 8 SER QB 1 10 MET ME . . 4.400 2.722 1.722 4.448 0.048 19 0 "[ . 1 . 2]" 1
39 1 9 HIS HB2 1 92 LEU MD2 . . 4.360 3.960 2.383 4.389 0.029 4 0 "[ . 1 . 2]" 1
40 1 10 MET H 1 10 MET HG3 . . 4.360 3.833 3.114 4.390 0.030 20 0 "[ . 1 . 2]" 1
41 1 10 MET H 1 11 VAL H . . 4.830 2.651 1.900 4.599 . 0 0 "[ . 1 . 2]" 1
42 1 10 MET H 1 92 LEU MD2 . . 5.430 4.072 1.876 5.430 . 0 0 "[ . 1 . 2]" 1
43 1 10 MET HA 1 11 VAL MG2 . . 4.830 3.834 3.110 4.084 . 0 0 "[ . 1 . 2]" 1
44 1 10 MET HA 1 92 LEU MD1 . . 3.910 2.607 1.896 4.174 0.264 19 0 "[ . 1 . 2]" 1
45 1 10 MET ME 1 10 MET HG2 . . 3.310 2.766 1.985 3.366 0.056 6 0 "[ . 1 . 2]" 1
46 1 10 MET ME 1 125 PHE HB3 . . 5.230 4.862 2.665 5.290 0.060 15 0 "[ . 1 . 2]" 1
47 1 10 MET HG2 1 92 LEU MD1 . . 4.570 3.971 2.181 4.640 0.070 20 0 "[ . 1 . 2]" 1
48 1 11 VAL H 1 12 ARG H . . 4.340 4.403 4.384 4.487 0.147 20 0 "[ . 1 . 2]" 1
49 1 11 VAL HA 1 11 VAL MG1 . . 3.730 2.171 2.103 2.275 . 0 0 "[ . 1 . 2]" 1
50 1 11 VAL HA 1 11 VAL MG2 . . 3.390 2.484 2.414 2.555 . 0 0 "[ . 1 . 2]" 1
51 1 11 VAL HA 1 89 MET ME . . 4.720 4.732 4.641 4.778 0.058 2 0 "[ . 1 . 2]" 1
52 1 11 VAL HA 1 90 VAL H . . 4.450 3.994 3.587 4.354 . 0 0 "[ . 1 . 2]" 1
53 1 11 VAL HA 1 90 VAL MG2 . . 4.480 3.425 2.937 3.861 . 0 0 "[ . 1 . 2]" 1
54 1 11 VAL HA 1 91 TYR HA . . 3.610 3.441 3.124 3.698 0.088 15 0 "[ . 1 . 2]" 1
55 1 11 VAL HA 1 92 LEU H . . 4.050 4.014 3.504 4.322 0.272 19 0 "[ . 1 . 2]" 1
56 1 11 VAL HA 1 92 LEU MD1 . . 4.450 3.547 2.514 4.508 0.058 4 0 "[ . 1 . 2]" 1
57 1 11 VAL HB 1 12 ARG H . . 3.480 3.557 3.499 3.658 0.178 5 0 "[ . 1 . 2]" 1
58 1 11 VAL HB 1 89 MET HB3 . . 4.150 4.204 4.076 4.281 0.131 20 0 "[ . 1 . 2]" 1
59 1 11 VAL QG 1 91 TYR QD . . 3.690 2.723 2.113 3.375 . 0 0 "[ . 1 . 2]" 1
60 1 11 VAL QG 1 91 TYR QE . . 3.790 2.521 1.915 3.244 . 0 0 "[ . 1 . 2]" 1
61 1 11 VAL MG1 1 12 ARG H . . 4.640 1.900 1.860 1.970 . 0 0 "[ . 1 . 2]" 1
62 1 11 VAL MG1 1 12 ARG HA . . 4.960 3.682 3.459 3.946 . 0 0 "[ . 1 . 2]" 1
63 1 11 VAL MG1 1 89 MET ME . . 3.000 1.910 1.846 2.023 . 0 0 "[ . 1 . 2]" 1
64 1 11 VAL MG1 1 91 TYR QD . . 4.860 3.876 3.244 4.184 . 0 0 "[ . 1 . 2]" 1
65 1 11 VAL MG2 1 89 MET HB3 . . 4.390 4.443 4.379 4.473 0.083 7 0 "[ . 1 . 2]" 1
66 1 11 VAL MG2 1 89 MET ME . . 4.180 3.276 3.023 3.562 . 0 0 "[ . 1 . 2]" 1
67 1 11 VAL MG2 1 90 VAL MG2 . . 4.850 4.830 4.540 5.002 0.152 16 0 "[ . 1 . 2]" 1
68 1 11 VAL MG2 1 91 TYR HA . . 3.350 3.265 3.051 3.384 0.034 15 0 "[ . 1 . 2]" 1
69 1 11 VAL MG2 1 91 TYR QD . . 4.640 2.791 2.125 3.561 . 0 0 "[ . 1 . 2]" 1
70 1 11 VAL MG2 1 91 TYR QE . . 3.560 2.575 1.927 3.412 . 0 0 "[ . 1 . 2]" 1
71 1 11 VAL MG2 1 92 LEU H . . 4.240 4.022 3.731 4.386 0.146 13 0 "[ . 1 . 2]" 1
72 1 12 ARG H 1 89 MET HA . . 4.890 4.044 3.806 4.265 . 0 0 "[ . 1 . 2]" 1
73 1 12 ARG H 1 89 MET ME . . 4.930 4.230 4.111 4.389 . 0 0 "[ . 1 . 2]" 1
74 1 12 ARG H 1 90 VAL H . . 4.150 2.437 2.240 2.679 . 0 0 "[ . 1 . 2]" 1
75 1 12 ARG H 1 90 VAL MG2 . . 4.580 2.646 2.194 2.881 . 0 0 "[ . 1 . 2]" 1
76 1 12 ARG HA 1 13 ARG H . . 3.250 2.255 2.223 2.459 . 0 0 "[ . 1 . 2]" 1
77 1 12 ARG HB2 1 12 ARG QD . . 3.840 2.500 1.960 3.287 . 0 0 "[ . 1 . 2]" 1
78 1 12 ARG HB2 1 13 ARG H . . 2.950 2.967 2.886 3.201 0.251 7 0 "[ . 1 . 2]" 1
79 1 12 ARG HB3 1 12 ARG QD . . 3.800 2.561 2.011 3.483 . 0 0 "[ . 1 . 2]" 1
80 1 12 ARG HB3 1 90 VAL H . . 5.030 5.114 5.056 5.266 0.236 5 0 "[ . 1 . 2]" 1
81 1 13 ARG H 1 13 ARG HE . . 5.140 4.747 3.573 5.209 0.069 12 0 "[ . 1 . 2]" 1
82 1 13 ARG H 1 14 ALA H . . 4.700 3.919 3.361 4.070 . 0 0 "[ . 1 . 2]" 1
83 1 13 ARG HA 1 13 ARG QD . . 4.280 3.397 2.368 3.997 . 0 0 "[ . 1 . 2]" 1
84 1 13 ARG HA 1 13 ARG QG . . 3.340 2.403 2.042 2.859 . 0 0 "[ . 1 . 2]" 1
85 1 13 ARG HA 1 14 ALA H . . 3.100 2.370 2.294 2.664 . 0 0 "[ . 1 . 2]" 1
86 1 13 ARG HA 1 89 MET HA . . 3.390 2.309 1.996 2.927 . 0 0 "[ . 1 . 2]" 1
87 1 13 ARG HA 1 89 MET HG2 . . 4.210 2.656 2.528 2.788 . 0 0 "[ . 1 . 2]" 1
88 1 13 ARG HA 1 89 MET HG3 . . 4.290 4.289 4.181 4.374 0.084 18 0 "[ . 1 . 2]" 1
89 1 13 ARG QB 1 14 ALA H . . 4.320 3.858 3.785 4.022 . 0 0 "[ . 1 . 2]" 1
90 1 13 ARG QD 1 87 GLU QB . . 4.710 2.774 1.929 4.170 . 0 0 "[ . 1 . 2]" 1
91 1 13 ARG QD 1 89 MET ME . . 4.250 3.957 3.264 4.291 0.041 12 0 "[ . 1 . 2]" 1
92 1 14 ALA H 1 89 MET HA . . 3.930 2.156 1.941 2.537 . 0 0 "[ . 1 . 2]" 1
93 1 14 ALA H 1 89 MET HG2 . . 4.410 4.282 4.033 4.438 0.028 12 0 "[ . 1 . 2]" 1
94 1 14 ALA H 1 90 VAL H . . 3.960 3.256 2.863 3.698 . 0 0 "[ . 1 . 2]" 1
95 1 14 ALA HA 1 15 ARG H . . 3.320 2.583 2.235 2.727 . 0 0 "[ . 1 . 2]" 1
96 1 14 ALA HA 1 90 VAL MG2 . . 4.600 4.642 4.602 4.711 0.111 3 0 "[ . 1 . 2]" 1
97 1 14 ALA MB 1 15 ARG H . . 3.280 2.270 2.045 2.876 . 0 0 "[ . 1 . 2]" 1
98 1 14 ALA MB 1 39 ASP H . . 4.860 4.077 3.710 4.362 . 0 0 "[ . 1 . 2]" 1
99 1 14 ALA MB 1 39 ASP HB2 . . 3.720 3.063 2.489 3.673 . 0 0 "[ . 1 . 2]" 1
100 1 14 ALA MB 1 39 ASP HB3 . . 3.610 2.389 2.014 2.750 . 0 0 "[ . 1 . 2]" 1
101 1 14 ALA MB 1 89 MET HA . . 3.950 3.731 3.422 3.992 0.042 3 0 "[ . 1 . 2]" 1
102 1 14 ALA MB 1 90 VAL MG2 . . 3.210 2.103 1.981 2.263 . 0 0 "[ . 1 . 2]" 1
103 1 15 ARG H 1 16 CYS H . . 4.620 4.541 4.430 4.633 0.013 2 0 "[ . 1 . 2]" 1
104 1 15 ARG HA 1 15 ARG QG . . 3.390 2.160 2.035 2.441 . 0 0 "[ . 1 . 2]" 1
105 1 15 ARG HA 1 16 CYS H . . 3.230 2.498 2.179 2.722 . 0 0 "[ . 1 . 2]" 1
106 1 15 ARG HA 1 88 ASP HB2 . . 4.110 3.961 2.967 4.128 0.018 20 0 "[ . 1 . 2]" 1
107 1 15 ARG HA 1 88 ASP HB3 . . 4.140 3.821 2.885 4.200 0.060 6 0 "[ . 1 . 2]" 1
108 1 15 ARG HB2 1 15 ARG QD . . 3.590 2.205 1.983 2.473 . 0 0 "[ . 1 . 2]" 1
109 1 15 ARG HB2 1 16 CYS H . . 4.340 3.880 3.621 4.265 . 0 0 "[ . 1 . 2]" 1
110 1 15 ARG HB3 1 16 CYS HA . . 4.720 4.086 3.865 4.633 . 0 0 "[ . 1 . 2]" 1
111 1 15 ARG QD 1 15 ARG QG . . 2.490 2.033 1.993 2.084 . 0 0 "[ . 1 . 2]" 1
112 1 15 ARG QD 1 16 CYS H . . 4.680 4.055 3.627 4.337 . 0 0 "[ . 1 . 2]" 1
113 1 15 ARG QG 1 16 CYS H . . 4.390 2.148 1.973 2.371 . 0 0 "[ . 1 . 2]" 1
114 1 15 ARG QG 1 16 CYS HA . . 4.650 4.355 3.950 4.609 . 0 0 "[ . 1 . 2]" 1
115 1 15 ARG QG 1 17 TYR QD . . 5.040 4.368 4.007 4.952 . 0 0 "[ . 1 . 2]" 1
116 1 16 CYS H 1 16 CYS HB2 . . 4.200 2.955 2.615 3.191 . 0 0 "[ . 1 . 2]" 1
117 1 16 CYS H 1 16 CYS HB3 . . 3.640 3.550 3.419 3.794 0.154 18 0 "[ . 1 . 2]" 1
118 1 16 CYS H 1 17 TYR H . . 4.610 4.147 3.913 4.487 . 0 0 "[ . 1 . 2]" 1
119 1 16 CYS H 1 37 SER HA . . 5.010 4.691 4.343 5.090 0.080 5 0 "[ . 1 . 2]" 1
120 1 16 CYS HA 1 17 TYR H . . 3.340 2.185 2.139 2.452 . 0 0 "[ . 1 . 2]" 1
121 1 16 CYS HA 1 17 TYR QD . . 4.980 3.882 3.590 4.122 . 0 0 "[ . 1 . 2]" 1
122 1 16 CYS HA 1 35 LEU HB3 . . 4.280 3.834 3.586 4.169 . 0 0 "[ . 1 . 2]" 1
123 1 16 CYS HA 1 35 LEU MD1 . . 4.560 4.571 4.482 4.634 0.074 5 0 "[ . 1 . 2]" 1
124 1 16 CYS HA 1 37 SER HA . . 3.800 2.920 2.469 3.217 . 0 0 "[ . 1 . 2]" 1
125 1 16 CYS HA 1 37 SER QB . . 4.410 3.189 2.956 3.447 . 0 0 "[ . 1 . 2]" 1
126 1 16 CYS HB2 1 35 LEU HB3 . . 4.610 4.338 2.167 4.716 0.106 10 0 "[ . 1 . 2]" 1
127 1 16 CYS HB2 1 35 LEU MD1 . . 3.980 3.591 1.975 3.995 0.015 19 0 "[ . 1 . 2]" 1
128 1 16 CYS HB3 1 17 TYR H . . 4.290 3.515 2.780 3.939 . 0 0 "[ . 1 . 2]" 1
129 1 16 CYS HB3 1 35 LEU MD1 . . 4.260 2.675 2.270 3.274 . 0 0 "[ . 1 . 2]" 1
130 1 16 CYS HB3 1 35 LEU MD2 . . 4.970 3.563 2.979 3.917 . 0 0 "[ . 1 . 2]" 1
131 1 17 TYR H 1 17 TYR HB2 . . 3.900 3.851 3.785 3.938 0.038 14 0 "[ . 1 . 2]" 1
132 1 17 TYR H 1 17 TYR QD . . 3.940 3.038 2.864 3.212 . 0 0 "[ . 1 . 2]" 1
133 1 17 TYR H 1 35 LEU HB3 . . 4.220 3.177 3.021 3.306 . 0 0 "[ . 1 . 2]" 1
134 1 17 TYR H 1 36 SER H . . 3.760 2.184 1.896 2.333 . 0 0 "[ . 1 . 2]" 1
135 1 17 TYR H 1 37 SER HA . . 4.560 3.748 3.613 3.926 . 0 0 "[ . 1 . 2]" 1
136 1 17 TYR HA 1 17 TYR QD . . 4.380 3.726 3.710 3.738 . 0 0 "[ . 1 . 2]" 1
137 1 17 TYR HA 1 18 PRO HD2 . . 3.710 2.360 2.328 2.390 . 0 0 "[ . 1 . 2]" 1
138 1 17 TYR HA 1 18 PRO QD . . 3.240 2.066 2.048 2.083 . 0 0 "[ . 1 . 2]" 1
139 1 17 TYR HA 1 18 PRO HD3 . . 3.710 2.283 2.273 2.293 . 0 0 "[ . 1 . 2]" 1
140 1 17 TYR HA 1 18 PRO HG2 . . 4.860 4.479 4.454 4.504 . 0 0 "[ . 1 . 2]" 1
141 1 17 TYR HA 1 18 PRO HG3 . . 4.500 4.447 4.428 4.464 . 0 0 "[ . 1 . 2]" 1
142 1 17 TYR HB2 1 18 PRO HD2 . . 4.640 2.053 1.996 2.120 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR HB2 1 18 PRO HD3 . . 4.690 3.491 3.440 3.551 . 0 0 "[ . 1 . 2]" 1
144 1 17 TYR HB2 1 18 PRO HG3 . . 4.700 4.723 4.664 4.787 0.087 12 0 "[ . 1 . 2]" 1
145 1 17 TYR HB3 1 18 PRO HD2 . . 4.950 3.395 3.322 3.514 . 0 0 "[ . 1 . 2]" 1
146 1 17 TYR QD 1 18 PRO HD2 . . 4.900 3.502 3.232 3.648 . 0 0 "[ . 1 . 2]" 1
147 1 17 TYR QD 1 19 THR MG . . 4.100 4.196 4.137 4.279 0.179 20 0 "[ . 1 . 2]" 1
148 1 17 TYR QD 1 36 SER H . . 4.300 3.959 3.741 4.048 . 0 0 "[ . 1 . 2]" 1
149 1 17 TYR QD 1 37 SER HA . . 3.370 3.360 3.025 3.473 0.103 5 0 "[ . 1 . 2]" 1
150 1 17 TYR QD 1 38 LEU H . . 4.700 2.975 2.720 3.215 . 0 0 "[ . 1 . 2]" 1
151 1 17 TYR QD 1 38 LEU QB . . 3.720 3.463 3.011 3.825 0.105 10 0 "[ . 1 . 2]" 1
152 1 17 TYR QD 1 38 LEU MD2 . . 4.620 4.253 3.913 4.686 0.066 14 0 "[ . 1 . 2]" 1
153 1 17 TYR QE 1 19 THR HA . . 3.530 2.768 2.446 3.038 . 0 0 "[ . 1 . 2]" 1
154 1 17 TYR QE 1 19 THR MG . . 3.280 2.832 2.546 3.070 . 0 0 "[ . 1 . 2]" 1
155 1 17 TYR QE 1 36 SER HB3 . . 4.940 2.780 2.536 2.998 . 0 0 "[ . 1 . 2]" 1
156 1 17 TYR QE 1 37 SER H . . 4.930 4.317 3.942 4.589 . 0 0 "[ . 1 . 2]" 1
157 1 17 TYR QE 1 37 SER HA . . 3.720 3.317 3.081 3.586 . 0 0 "[ . 1 . 2]" 1
158 1 17 TYR QE 1 38 LEU QB . . 3.260 2.279 1.986 3.304 0.044 14 0 "[ . 1 . 2]" 1
159 1 17 TYR QE 1 38 LEU MD1 . . 4.670 4.326 3.599 4.622 . 0 0 "[ . 1 . 2]" 1
160 1 17 TYR QE 1 38 LEU QD . . 3.200 2.291 1.952 2.805 . 0 0 "[ . 1 . 2]" 1
161 1 17 TYR QE 1 38 LEU MD2 . . 3.400 2.309 1.955 2.921 . 0 0 "[ . 1 . 2]" 1
162 1 17 TYR QE 1 46 GLU HB3 . . 4.210 4.069 3.689 4.271 0.061 11 0 "[ . 1 . 2]" 1
163 1 17 TYR QE 1 46 GLU HG2 . . 4.840 2.906 2.221 3.513 . 0 0 "[ . 1 . 2]" 1
164 1 18 PRO HA 1 19 THR H . . 3.280 2.166 2.154 2.194 . 0 0 "[ . 1 . 2]" 1
165 1 18 PRO HA 1 35 LEU HA . . 3.170 2.521 2.434 2.771 . 0 0 "[ . 1 . 2]" 1
166 1 18 PRO HA 1 35 LEU HB3 . . 4.980 4.255 4.034 4.787 . 0 0 "[ . 1 . 2]" 1
167 1 18 PRO HA 1 35 LEU QD . . 2.720 1.905 1.864 1.946 . 0 0 "[ . 1 . 2]" 1
168 1 18 PRO HA 1 35 LEU MD2 . . 2.970 1.907 1.866 1.947 . 0 0 "[ . 1 . 2]" 1
169 1 18 PRO HA 1 35 LEU HG . . 4.890 3.923 3.753 4.218 . 0 0 "[ . 1 . 2]" 1
170 1 18 PRO QB 1 35 LEU QD . . 3.460 2.664 2.557 2.869 . 0 0 "[ . 1 . 2]" 1
171 1 18 PRO HB3 1 35 LEU MD2 . . 3.870 2.729 2.614 2.956 . 0 0 "[ . 1 . 2]" 1
172 1 18 PRO QG 1 35 LEU QD . . 3.570 3.718 3.663 3.777 0.207 5 0 "[ . 1 . 2]" 1
173 1 18 PRO HG3 1 35 LEU MD2 . . 4.350 4.048 3.970 4.119 . 0 0 "[ . 1 . 2]" 1
174 1 19 THR H 1 19 THR MG . . 3.770 3.580 3.438 3.727 . 0 0 "[ . 1 . 2]" 1
175 1 19 THR H 1 35 LEU HA . . 4.010 2.465 2.196 2.832 . 0 0 "[ . 1 . 2]" 1
176 1 19 THR H 1 35 LEU MD2 . . 4.100 3.320 3.163 3.461 . 0 0 "[ . 1 . 2]" 1
177 1 19 THR H 1 36 SER HB3 . . 4.280 4.296 4.214 4.310 0.030 12 0 "[ . 1 . 2]" 1
178 1 19 THR HA 1 19 THR HB . . 2.890 2.942 2.886 2.996 0.106 15 0 "[ . 1 . 2]" 1
179 1 19 THR HA 1 19 THR MG . . 3.150 2.068 1.954 2.196 . 0 0 "[ . 1 . 2]" 1
180 1 19 THR HB 1 20 SER H . . 3.500 1.917 1.872 1.946 . 0 0 "[ . 1 . 2]" 1
181 1 19 THR HB 1 24 ASN HA . . 3.630 3.152 2.807 3.657 0.027 1 0 "[ . 1 . 2]" 1
182 1 19 THR HB 1 24 ASN HB2 . . 3.720 2.064 1.971 2.192 . 0 0 "[ . 1 . 2]" 1
183 1 19 THR HB 1 24 ASN HB3 . . 3.720 3.753 3.724 3.803 0.083 4 0 "[ . 1 . 2]" 1
184 1 19 THR MG 1 20 SER H . . 4.210 3.512 3.308 3.613 . 0 0 "[ . 1 . 2]" 1
185 1 19 THR MG 1 24 ASN H . . 4.870 4.500 4.113 4.935 0.065 3 0 "[ . 1 . 2]" 1
186 1 19 THR MG 1 24 ASN HA . . 3.500 3.553 3.536 3.579 0.079 12 0 "[ . 1 . 2]" 1
187 1 19 THR MG 1 24 ASN HB2 . . 3.590 2.407 2.224 2.778 . 0 0 "[ . 1 . 2]" 1
188 1 19 THR MG 1 24 ASN HB3 . . 3.590 3.640 3.533 3.729 0.139 3 0 "[ . 1 . 2]" 1
189 1 19 THR MG 1 36 SER HB2 . . 3.590 3.063 2.548 3.498 . 0 0 "[ . 1 . 2]" 1
190 1 19 THR MG 1 36 SER QB . . 3.120 2.693 2.323 3.137 0.017 1 0 "[ . 1 . 2]" 1
191 1 19 THR MG 1 36 SER HB3 . . 3.590 3.008 2.643 3.556 . 0 0 "[ . 1 . 2]" 1
192 1 20 SER H 1 23 THR H . . 4.600 4.581 4.407 4.658 0.058 10 0 "[ . 1 . 2]" 1
193 1 20 SER H 1 24 ASN H . . 4.830 3.624 3.123 4.148 . 0 0 "[ . 1 . 2]" 1
194 1 20 SER HA 1 21 ASN HD21 . . 5.000 4.384 4.166 4.736 . 0 0 "[ . 1 . 2]" 1
195 1 20 SER HB2 1 21 ASN H . . 4.400 3.619 3.157 3.924 . 0 0 "[ . 1 . 2]" 1
196 1 20 SER HB2 1 21 ASN QB . . 5.370 5.155 4.695 5.406 0.036 3 0 "[ . 1 . 2]" 1
197 1 20 SER HB3 1 22 ALA MB . . 4.790 4.273 3.941 4.569 . 0 0 "[ . 1 . 2]" 1
198 1 21 ASN HA 1 21 ASN QB . . 2.650 2.512 2.263 2.540 . 0 0 "[ . 1 . 2]" 1
199 1 21 ASN QB 1 22 ALA H . . 3.870 2.551 2.394 2.663 . 0 0 "[ . 1 . 2]" 1
200 1 21 ASN QB 1 22 ALA HA . . 3.780 3.903 3.877 3.932 0.152 4 0 "[ . 1 . 2]" 1
201 1 21 ASN QB 1 22 ALA MB . . 3.980 3.322 3.243 3.418 . 0 0 "[ . 1 . 2]" 1
202 1 22 ALA H 1 22 ALA MB . . 3.500 2.238 2.204 2.267 . 0 0 "[ . 1 . 2]" 1
203 1 22 ALA H 1 23 THR H . . 3.640 2.414 2.352 2.485 . 0 0 "[ . 1 . 2]" 1
204 1 22 ALA MB 1 23 THR H . . 4.080 2.334 2.305 2.414 . 0 0 "[ . 1 . 2]" 1
205 1 22 ALA MB 1 23 THR HA . . 4.110 4.239 4.213 4.260 0.150 7 0 "[ . 1 . 2]" 1
206 1 22 ALA MB 1 23 THR MG . . 2.630 2.392 2.111 2.638 0.008 14 0 "[ . 1 . 2]" 1
207 1 23 THR H 1 23 THR MG . . 4.290 2.467 2.354 2.559 . 0 0 "[ . 1 . 2]" 1
208 1 23 THR HA 1 23 THR MG . . 3.090 3.180 3.170 3.192 0.102 4 0 "[ . 1 . 2]" 1
209 1 23 THR HB 1 30 LYS QE . . 4.410 4.362 4.154 4.476 0.066 5 0 "[ . 1 . 2]" 1
210 1 23 THR MG 1 30 LYS QE . . 4.110 1.940 1.824 2.135 . 0 0 "[ . 1 . 2]" 1
211 1 24 ASN H 1 24 ASN HB2 . . 4.070 2.596 2.274 2.804 . 0 0 "[ . 1 . 2]" 1
212 1 24 ASN H 1 24 ASN HB3 . . 3.760 2.512 2.336 2.819 . 0 0 "[ . 1 . 2]" 1
213 1 24 ASN H 1 25 THR H . . 4.710 4.619 4.555 4.646 . 0 0 "[ . 1 . 2]" 1
214 1 24 ASN HA 1 25 THR HA . . 4.750 4.416 4.398 4.437 . 0 0 "[ . 1 . 2]" 1
215 1 24 ASN HA 1 31 LEU QD . . 3.820 3.877 3.694 3.945 0.125 6 0 "[ . 1 . 2]" 1
216 1 24 ASN QB 1 31 LEU QD . . 4.030 2.597 2.159 3.009 . 0 0 "[ . 1 . 2]" 1
217 1 24 ASN HB2 1 25 THR H . . 4.680 3.954 3.831 4.104 . 0 0 "[ . 1 . 2]" 1
218 1 24 ASN HD21 1 78 LYS HD3 . . 4.970 4.782 3.451 5.018 0.048 3 0 "[ . 1 . 2]" 1
219 1 24 ASN HD22 1 25 THR H . . 4.950 3.142 2.690 4.393 . 0 0 "[ . 1 . 2]" 1
220 1 25 THR H 1 25 THR MG . . 4.090 3.858 3.608 3.957 . 0 0 "[ . 1 . 2]" 1
221 1 25 THR H 1 26 CYS H . . 4.460 4.452 4.369 4.494 0.034 15 0 "[ . 1 . 2]" 1
222 1 25 THR H 1 31 LEU H . . 4.590 4.611 4.558 4.648 0.058 15 0 "[ . 1 . 2]" 1
223 1 25 THR H 1 31 LEU QD . . 4.600 3.134 2.969 3.250 . 0 0 "[ . 1 . 2]" 1
224 1 25 THR HA 1 25 THR MG . . 3.080 2.141 1.955 2.289 . 0 0 "[ . 1 . 2]" 1
225 1 25 THR HA 1 26 CYS H . . 3.410 2.258 2.167 2.321 . 0 0 "[ . 1 . 2]" 1
226 1 25 THR HA 1 26 CYS HB3 . . 4.670 4.454 4.336 4.564 . 0 0 "[ . 1 . 2]" 1
227 1 25 THR HA 1 30 LYS HA . . 3.140 1.924 1.880 1.972 . 0 0 "[ . 1 . 2]" 1
228 1 25 THR HA 1 30 LYS QB . . 4.070 3.679 3.371 4.017 . 0 0 "[ . 1 . 2]" 1
229 1 25 THR HA 1 30 LYS QG . . 3.530 3.611 3.549 3.685 0.155 13 0 "[ . 1 . 2]" 1
230 1 25 THR HA 1 31 LEU H . . 4.090 2.465 2.345 2.680 . 0 0 "[ . 1 . 2]" 1
231 1 25 THR HA 1 31 LEU QD . . 3.760 2.127 1.909 2.427 . 0 0 "[ . 1 . 2]" 1
232 1 25 THR HA 1 31 LEU MD2 . . 4.520 2.540 1.939 4.735 0.215 3 0 "[ . 1 . 2]" 1
233 1 25 THR HB 1 26 CYS H . . 3.600 3.413 3.066 3.686 0.086 3 0 "[ . 1 . 2]" 1
234 1 25 THR HB 1 30 LYS HA . . 4.070 4.191 4.111 4.259 0.189 17 0 "[ . 1 . 2]" 1
235 1 25 THR MG 1 26 CYS H . . 4.440 2.319 1.939 3.301 . 0 0 "[ . 1 . 2]" 1
236 1 25 THR MG 1 28 GLY H . . 4.730 3.373 3.041 3.694 . 0 0 "[ . 1 . 2]" 1
237 1 25 THR MG 1 28 GLY HA2 . . 3.760 3.137 2.980 3.269 . 0 0 "[ . 1 . 2]" 1
238 1 25 THR MG 1 28 GLY QA . . 3.070 3.066 2.907 3.193 0.123 4 0 "[ . 1 . 2]" 1
239 1 25 THR MG 1 28 GLY HA3 . . 4.630 4.324 4.044 4.608 . 0 0 "[ . 1 . 2]" 1
240 1 25 THR MG 1 30 LYS HA . . 2.620 1.933 1.910 1.966 . 0 0 "[ . 1 . 2]" 1
241 1 25 THR MG 1 30 LYS QB . . 3.040 3.085 2.900 3.216 0.176 5 0 "[ . 1 . 2]" 1
242 1 25 THR MG 1 30 LYS QE . . 4.420 3.753 3.520 3.977 . 0 0 "[ . 1 . 2]" 1
243 1 25 THR MG 1 30 LYS QG . . 2.940 1.870 1.805 1.898 . 0 0 "[ . 1 . 2]" 1
244 1 25 THR MG 1 31 LEU H . . 4.460 3.661 3.549 3.733 . 0 0 "[ . 1 . 2]" 1
245 1 26 CYS H 1 26 CYS HB2 . . 4.050 3.263 3.050 3.400 . 0 0 "[ . 1 . 2]" 1
246 1 26 CYS H 1 26 CYS HB3 . . 4.150 2.728 2.581 2.829 . 0 0 "[ . 1 . 2]" 1
247 1 26 CYS H 1 27 PHE H . . 4.510 4.054 3.835 4.195 . 0 0 "[ . 1 . 2]" 1
248 1 26 CYS H 1 29 SER QB . . 4.740 4.015 3.369 4.321 . 0 0 "[ . 1 . 2]" 1
249 1 26 CYS H 1 31 LEU QD . . 4.910 2.296 2.075 2.542 . 0 0 "[ . 1 . 2]" 1
250 1 26 CYS HA 1 27 PHE H . . 3.340 2.156 2.138 2.196 . 0 0 "[ . 1 . 2]" 1
251 1 26 CYS HA 1 31 LEU QD . . 3.170 3.221 3.173 3.256 0.086 2 0 "[ . 1 . 2]" 1
252 1 26 CYS HA 1 31 LEU MD2 . . 4.430 3.496 3.248 4.521 0.091 12 0 "[ . 1 . 2]" 1
253 1 26 CYS HB2 1 31 LEU MD1 . . 2.490 2.405 1.967 2.589 0.099 7 0 "[ . 1 . 2]" 1
254 1 26 CYS HB2 1 31 LEU MD2 . . 2.490 1.996 1.884 2.412 . 0 0 "[ . 1 . 2]" 1
255 1 26 CYS HB2 1 31 LEU HG . . 4.820 3.469 3.282 3.622 . 0 0 "[ . 1 . 2]" 1
256 1 26 CYS HB3 1 31 LEU MD1 . . 2.490 2.173 1.884 2.542 0.052 3 0 "[ . 1 . 2]" 1
257 1 26 CYS HB3 1 31 LEU MD2 . . 2.490 2.510 2.448 2.569 0.079 3 0 "[ . 1 . 2]" 1
258 1 27 PHE H 1 27 PHE QD . . 4.260 2.216 2.002 2.749 . 0 0 "[ . 1 . 2]" 1
259 1 27 PHE H 1 28 GLY H . . 4.380 2.906 2.678 3.064 . 0 0 "[ . 1 . 2]" 1
260 1 27 PHE HA 1 27 PHE QD . . 3.330 2.101 1.914 2.450 . 0 0 "[ . 1 . 2]" 1
261 1 27 PHE HA 1 28 GLY H . . 3.460 2.664 2.493 2.903 . 0 0 "[ . 1 . 2]" 1
262 1 27 PHE HB3 1 28 GLY H . . 4.550 4.366 4.320 4.433 . 0 0 "[ . 1 . 2]" 1
263 1 27 PHE HB3 1 29 SER H . . 4.800 4.237 3.846 4.816 0.016 6 0 "[ . 1 . 2]" 1
264 1 27 PHE QD 1 28 GLY H . . 4.380 4.255 4.120 4.394 0.014 9 0 "[ . 1 . 2]" 1
265 1 27 PHE QD 1 70 GLN HA . . 4.050 4.049 3.742 4.218 0.168 12 0 "[ . 1 . 2]" 1
266 1 27 PHE QD 1 70 GLN QB . . 4.180 4.235 4.151 4.349 0.169 4 0 "[ . 1 . 2]" 1
267 1 27 PHE QD 1 70 GLN HG2 . . 4.020 3.050 2.682 3.338 . 0 0 "[ . 1 . 2]" 1
268 1 27 PHE QD 1 70 GLN QG . . 3.350 2.965 2.648 3.194 . 0 0 "[ . 1 . 2]" 1
269 1 27 PHE QD 1 70 GLN HG3 . . 4.020 4.084 4.062 4.115 0.095 9 0 "[ . 1 . 2]" 1
270 1 27 PHE QE 1 70 GLN HA . . 3.950 2.404 2.067 2.668 . 0 0 "[ . 1 . 2]" 1
271 1 27 PHE QE 1 70 GLN QB . . 4.970 3.795 3.235 4.515 . 0 0 "[ . 1 . 2]" 1
272 1 27 PHE QE 1 70 GLN HG2 . . 3.910 2.707 2.029 3.912 0.002 10 0 "[ . 1 . 2]" 1
273 1 27 PHE QE 1 70 GLN HG3 . . 4.270 2.584 2.073 3.619 . 0 0 "[ . 1 . 2]" 1
274 1 27 PHE QE 1 73 LEU HB2 . . 3.920 3.283 2.394 3.765 . 0 0 "[ . 1 . 2]" 1
275 1 27 PHE QE 1 73 LEU HB3 . . 5.000 3.328 2.704 3.750 . 0 0 "[ . 1 . 2]" 1
276 1 27 PHE QE 1 73 LEU MD1 . . 3.840 2.697 1.966 3.400 . 0 0 "[ . 1 . 2]" 1
277 1 27 PHE QE 1 73 LEU QD . . 4.310 2.612 1.958 3.134 . 0 0 "[ . 1 . 2]" 1
278 1 27 PHE QE 1 73 LEU MD2 . . 4.600 3.800 3.503 4.043 . 0 0 "[ . 1 . 2]" 1
279 1 27 PHE HZ 1 73 LEU MD1 . . 3.630 3.148 2.066 3.627 . 0 0 "[ . 1 . 2]" 1
280 1 27 PHE HZ 1 73 LEU QD . . 3.020 2.832 2.053 3.081 0.061 13 0 "[ . 1 . 2]" 1
281 1 27 PHE HZ 1 73 LEU MD2 . . 3.630 3.386 3.205 3.531 . 0 0 "[ . 1 . 2]" 1
282 1 28 GLY H 1 29 SER H . . 3.500 3.207 2.623 3.549 0.049 12 0 "[ . 1 . 2]" 1
283 1 29 SER H 1 29 SER QB . . 3.080 2.427 2.066 2.881 . 0 0 "[ . 1 . 2]" 1
284 1 29 SER H 1 30 LYS H . . 4.370 4.290 3.850 4.516 0.146 12 0 "[ . 1 . 2]" 1
285 1 29 SER HA 1 30 LYS H . . 3.240 2.157 2.136 2.251 . 0 0 "[ . 1 . 2]" 1
286 1 29 SER HA 1 30 LYS QG . . 4.220 3.761 3.562 4.060 . 0 0 "[ . 1 . 2]" 1
287 1 29 SER QB 1 30 LYS H . . 3.750 3.531 3.258 3.850 0.100 6 0 "[ . 1 . 2]" 1
288 1 29 SER QB 1 30 LYS QG . . 5.370 5.024 4.805 5.294 . 0 0 "[ . 1 . 2]" 1
289 1 30 LYS H 1 30 LYS QB . . 3.170 2.527 2.426 2.596 . 0 0 "[ . 1 . 2]" 1
290 1 30 LYS H 1 30 LYS QG . . 4.740 2.101 1.975 2.255 . 0 0 "[ . 1 . 2]" 1
291 1 30 LYS HA 1 30 LYS QG . . 3.460 2.515 2.341 2.566 . 0 0 "[ . 1 . 2]" 1
292 1 30 LYS HA 1 31 LEU H . . 3.110 2.197 2.146 2.261 . 0 0 "[ . 1 . 2]" 1
293 1 30 LYS QB 1 30 LYS QE . . 3.640 2.302 2.001 3.199 . 0 0 "[ . 1 . 2]" 1
294 1 30 LYS QB 1 31 LEU H . . 3.890 2.981 2.751 3.246 . 0 0 "[ . 1 . 2]" 1
295 1 30 LYS QE 1 30 LYS QG . . 2.980 2.284 2.009 2.604 . 0 0 "[ . 1 . 2]" 1
296 1 31 LEU H 1 31 LEU HB3 . . 4.170 3.602 3.583 3.655 . 0 0 "[ . 1 . 2]" 1
297 1 31 LEU H 1 31 LEU QD . . 4.240 1.918 1.862 1.986 . 0 0 "[ . 1 . 2]" 1
298 1 31 LEU HA 1 31 LEU MD1 . . 3.570 2.225 1.939 3.627 0.057 12 0 "[ . 1 . 2]" 1
299 1 31 LEU HA 1 31 LEU MD2 . . 3.420 3.241 3.160 3.470 0.050 3 0 "[ . 1 . 2]" 1
300 1 31 LEU HA 1 32 PRO HD2 . . 3.630 2.401 2.358 2.421 . 0 0 "[ . 1 . 2]" 1
301 1 31 LEU HA 1 32 PRO QD . . 3.130 2.091 2.066 2.102 . 0 0 "[ . 1 . 2]" 1
302 1 31 LEU HA 1 32 PRO HD3 . . 3.630 2.300 2.285 2.308 . 0 0 "[ . 1 . 2]" 1
303 1 31 LEU HB2 1 33 TYR H . . 3.760 2.973 2.794 3.033 . 0 0 "[ . 1 . 2]" 1
304 1 31 LEU HB3 1 32 PRO HD2 . . 4.650 1.979 1.926 2.063 . 0 0 "[ . 1 . 2]" 1
305 1 31 LEU HB3 1 33 TYR H . . 3.630 2.514 2.445 2.708 . 0 0 "[ . 1 . 2]" 1
306 1 31 LEU QD 1 33 TYR H . . 4.650 4.049 3.821 4.097 . 0 0 "[ . 1 . 2]" 1
307 1 31 LEU QD 1 33 TYR QD . . 4.240 3.943 3.333 4.091 . 0 0 "[ . 1 . 2]" 1
308 1 31 LEU QD 1 33 TYR QE . . 3.430 3.009 1.949 3.206 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU MD1 1 32 PRO HD2 . . 5.180 2.948 2.487 4.594 . 0 0 "[ . 1 . 2]" 1
310 1 31 LEU MD1 1 33 TYR QD . . 4.770 4.641 4.142 4.759 . 0 0 "[ . 1 . 2]" 1
311 1 31 LEU MD1 1 33 TYR QE . . 3.540 3.542 3.384 3.690 0.150 3 0 "[ . 1 . 2]" 1
312 1 31 LEU MD1 1 78 LYS QB . . 3.870 3.568 3.156 3.971 0.101 18 0 "[ . 1 . 2]" 1
313 1 31 LEU MD2 1 32 PRO HD2 . . 5.460 4.268 2.965 4.546 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU MD2 1 33 TYR QD . . 4.980 4.275 3.513 4.543 . 0 0 "[ . 1 . 2]" 1
315 1 31 LEU MD2 1 33 TYR QE . . 3.540 3.377 1.958 3.651 0.111 18 0 "[ . 1 . 2]" 1
316 1 32 PRO HB2 1 33 TYR QD . . 3.670 3.703 3.593 3.745 0.075 15 0 "[ . 1 . 2]" 1
317 1 32 PRO HD2 1 33 TYR H . . 4.350 2.848 2.706 2.867 . 0 0 "[ . 1 . 2]" 1
318 1 32 PRO HD2 1 33 TYR QD . . 4.960 3.582 3.354 3.866 . 0 0 "[ . 1 . 2]" 1
319 1 32 PRO HD2 1 33 TYR QE . . 4.850 3.087 2.851 3.387 . 0 0 "[ . 1 . 2]" 1
320 1 32 PRO QG 1 33 TYR QD . . 4.000 2.214 1.994 2.498 . 0 0 "[ . 1 . 2]" 1
321 1 32 PRO HG2 1 33 TYR QD . . 3.920 2.227 2.003 2.519 . 0 0 "[ . 1 . 2]" 1
322 1 32 PRO HG2 1 33 TYR QE . . 4.960 2.810 2.710 3.038 . 0 0 "[ . 1 . 2]" 1
323 1 32 PRO HG3 1 33 TYR QD . . 5.010 3.891 3.658 4.124 . 0 0 "[ . 1 . 2]" 1
324 1 33 TYR H 1 33 TYR HB3 . . 3.750 3.379 3.192 3.467 . 0 0 "[ . 1 . 2]" 1
325 1 33 TYR H 1 33 TYR QD . . 3.990 2.953 2.744 3.066 . 0 0 "[ . 1 . 2]" 1
326 1 33 TYR H 1 34 GLU H . . 4.740 4.467 4.340 4.499 . 0 0 "[ . 1 . 2]" 1
327 1 33 TYR H 1 34 GLU HA . . 5.150 4.922 4.794 4.971 . 0 0 "[ . 1 . 2]" 1
328 1 33 TYR H 1 35 LEU H . . 5.310 5.276 5.153 5.370 0.060 2 0 "[ . 1 . 2]" 1
329 1 33 TYR HA 1 33 TYR QD . . 3.640 3.683 3.666 3.720 0.080 3 0 "[ . 1 . 2]" 1
330 1 33 TYR HA 1 34 GLU H . . 3.200 2.341 2.161 2.558 . 0 0 "[ . 1 . 2]" 1
331 1 33 TYR HA 1 34 GLU QB . . 4.130 4.127 4.044 4.220 0.090 12 0 "[ . 1 . 2]" 1
332 1 33 TYR HA 1 35 LEU H . . 4.230 3.861 3.546 4.146 . 0 0 "[ . 1 . 2]" 1
333 1 33 TYR HB2 1 34 GLU H . . 3.890 2.676 2.139 3.240 . 0 0 "[ . 1 . 2]" 1
334 1 33 TYR HB2 1 34 GLU QG . . 4.870 4.611 4.314 4.885 0.015 12 0 "[ . 1 . 2]" 1
335 1 33 TYR HB3 1 34 GLU H . . 4.470 3.586 3.264 4.020 . 0 0 "[ . 1 . 2]" 1
336 1 33 TYR QD 1 35 LEU H . . 4.680 3.441 3.047 3.771 . 0 0 "[ . 1 . 2]" 1
337 1 33 TYR QD 1 80 LYS HA . . 4.040 2.990 2.829 3.351 . 0 0 "[ . 1 . 2]" 1
338 1 33 TYR QD 1 80 LYS HE2 . . 4.690 4.612 4.353 4.735 0.045 7 0 "[ . 1 . 2]" 1
339 1 33 TYR QD 1 80 LYS QE . . 4.070 3.543 3.255 4.014 . 0 0 "[ . 1 . 2]" 1
340 1 33 TYR QE 1 78 LYS HA . . 3.950 4.041 3.922 4.135 0.185 18 0 "[ . 1 . 2]" 1
341 1 33 TYR QE 1 80 LYS HA . . 3.390 3.271 3.013 3.456 0.066 10 0 "[ . 1 . 2]" 1
342 1 33 TYR QE 1 80 LYS HB3 . . 3.750 3.882 3.808 3.964 0.214 12 0 "[ . 1 . 2]" 1
343 1 34 GLU H 1 34 GLU QG . . 4.210 2.306 2.203 2.437 . 0 0 "[ . 1 . 2]" 1
344 1 34 GLU H 1 35 LEU H . . 4.010 2.106 1.890 2.392 . 0 0 "[ . 1 . 2]" 1
345 1 34 GLU H 1 35 LEU MD2 . . 4.830 4.712 4.319 4.847 0.017 5 0 "[ . 1 . 2]" 1
346 1 34 GLU QB 1 35 LEU MD2 . . 4.680 4.313 4.034 4.626 . 0 0 "[ . 1 . 2]" 1
347 1 34 GLU QG 1 35 LEU MD2 . . 4.070 2.798 2.470 3.276 . 0 0 "[ . 1 . 2]" 1
348 1 35 LEU H 1 35 LEU HB2 . . 3.880 2.557 2.391 2.626 . 0 0 "[ . 1 . 2]" 1
349 1 35 LEU H 1 35 LEU MD1 . . 4.940 3.953 3.764 4.202 . 0 0 "[ . 1 . 2]" 1
350 1 35 LEU HA 1 35 LEU MD2 . . 3.090 2.027 1.942 2.198 . 0 0 "[ . 1 . 2]" 1
351 1 35 LEU HA 1 35 LEU HG . . 4.100 3.047 2.938 3.184 . 0 0 "[ . 1 . 2]" 1
352 1 35 LEU HA 1 36 SER H . . 3.100 2.481 2.353 2.501 . 0 0 "[ . 1 . 2]" 1
353 1 35 LEU HB2 1 35 LEU MD1 . . 3.640 2.265 2.145 2.434 . 0 0 "[ . 1 . 2]" 1
354 1 35 LEU HB2 1 36 SER H . . 3.930 3.480 3.379 3.831 . 0 0 "[ . 1 . 2]" 1
355 1 35 LEU HB3 1 35 LEU MD1 . . 3.390 2.438 2.261 2.552 . 0 0 "[ . 1 . 2]" 1
356 1 35 LEU HB3 1 36 SER H . . 3.950 2.247 2.206 2.538 . 0 0 "[ . 1 . 2]" 1
357 1 35 LEU HB3 1 36 SER HA . . 4.180 4.242 4.175 4.317 0.137 12 0 "[ . 1 . 2]" 1
358 1 35 LEU MD1 1 82 GLU HA . . 3.370 3.402 3.374 3.458 0.088 5 0 "[ . 1 . 2]" 1
359 1 35 LEU MD2 1 36 SER H . . 4.590 3.189 3.066 3.284 . 0 0 "[ . 1 . 2]" 1
360 1 35 LEU HG 1 36 SER H . . 5.500 4.766 4.714 4.830 . 0 0 "[ . 1 . 2]" 1
361 1 36 SER H 1 37 SER H . . 4.340 4.350 4.308 4.384 0.044 16 0 "[ . 1 . 2]" 1
362 1 36 SER H 1 81 CYS HB3 . . 4.840 3.779 3.520 4.187 . 0 0 "[ . 1 . 2]" 1
363 1 36 SER HA 1 79 PRO QG . . 4.640 3.313 2.960 3.648 . 0 0 "[ . 1 . 2]" 1
364 1 36 SER HA 1 81 CYS H . . 4.530 3.967 3.658 4.504 . 0 0 "[ . 1 . 2]" 1
365 1 36 SER HA 1 81 CYS HB2 . . 3.820 3.208 2.463 3.777 . 0 0 "[ . 1 . 2]" 1
366 1 36 SER HA 1 81 CYS HB3 . . 3.820 3.107 2.562 3.894 0.074 3 0 "[ . 1 . 2]" 1
367 1 36 SER HB2 1 37 SER H . . 4.110 3.611 3.435 3.755 . 0 0 "[ . 1 . 2]" 1
368 1 36 SER HB3 1 37 SER H . . 4.490 4.021 3.836 4.158 . 0 0 "[ . 1 . 2]" 1
369 1 37 SER H 1 79 PRO QB . . 4.510 4.215 3.815 4.538 0.028 12 0 "[ . 1 . 2]" 1
370 1 37 SER H 1 79 PRO HD2 . . 4.810 3.597 2.920 4.348 . 0 0 "[ . 1 . 2]" 1
371 1 37 SER H 1 79 PRO QG . . 4.550 2.394 1.975 2.654 . 0 0 "[ . 1 . 2]" 1
372 1 37 SER HA 1 39 ASP H . . 3.600 3.441 3.329 3.538 . 0 0 "[ . 1 . 2]" 1
373 1 37 SER QB 1 39 ASP H . . 4.560 3.735 2.964 4.084 . 0 0 "[ . 1 . 2]" 1
374 1 37 SER QB 1 81 CYS HB3 . . 4.640 3.978 3.408 4.670 0.030 2 0 "[ . 1 . 2]" 1
375 1 37 SER QB 1 90 VAL HB . . 4.330 3.239 2.579 3.632 . 0 0 "[ . 1 . 2]" 1
376 1 37 SER QB 1 90 VAL MG1 . . 4.310 1.847 1.767 1.923 . 0 0 "[ . 1 . 2]" 1
377 1 38 LEU H 1 38 LEU QB . . 3.390 2.066 2.020 2.186 . 0 0 "[ . 1 . 2]" 1
378 1 38 LEU H 1 38 LEU MD1 . . 5.070 4.267 3.898 4.325 . 0 0 "[ . 1 . 2]" 1
379 1 38 LEU H 1 38 LEU MD2 . . 5.020 3.237 2.813 3.686 . 0 0 "[ . 1 . 2]" 1
380 1 38 LEU H 1 38 LEU HG . . 5.030 4.213 2.830 4.509 . 0 0 "[ . 1 . 2]" 1
381 1 38 LEU H 1 39 ASP H . . 3.650 2.648 2.608 2.682 . 0 0 "[ . 1 . 2]" 1
382 1 38 LEU HA 1 38 LEU MD2 . . 3.340 2.001 1.910 2.087 . 0 0 "[ . 1 . 2]" 1
383 1 38 LEU HA 1 38 LEU HG . . 3.630 3.562 2.934 3.663 0.033 3 0 "[ . 1 . 2]" 1
384 1 38 LEU HA 1 41 THR MG . . 4.690 4.627 4.378 4.734 0.044 16 0 "[ . 1 . 2]" 1
385 1 38 LEU QB 1 38 LEU MD1 . . 2.800 2.126 2.061 2.232 . 0 0 "[ . 1 . 2]" 1
386 1 38 LEU QB 1 38 LEU MD2 . . 3.140 2.327 2.306 2.347 . 0 0 "[ . 1 . 2]" 1
387 1 38 LEU QB 1 39 ASP H . . 4.200 2.982 2.806 3.122 . 0 0 "[ . 1 . 2]" 1
388 1 38 LEU MD1 1 39 ASP H . . 4.990 4.308 3.735 5.011 0.021 14 0 "[ . 1 . 2]" 1
389 1 38 LEU MD1 1 43 PHE HB2 . . 4.650 1.932 1.866 2.453 . 0 0 "[ . 1 . 2]" 1
390 1 38 LEU MD1 1 43 PHE QE . . 5.300 4.623 4.349 5.415 0.115 10 0 "[ . 1 . 2]" 1
391 1 38 LEU MD1 1 44 HIS HA . . 3.790 3.465 2.749 3.807 0.017 15 0 "[ . 1 . 2]" 1
392 1 38 LEU MD1 1 45 THR H . . 4.700 2.365 1.908 3.032 . 0 0 "[ . 1 . 2]" 1
393 1 38 LEU MD1 1 45 THR HA . . 3.530 3.430 2.380 3.602 0.072 9 0 "[ . 1 . 2]" 1
394 1 38 LEU MD1 1 45 THR HB . . 5.150 5.101 4.170 5.250 0.100 5 0 "[ . 1 . 2]" 1
395 1 38 LEU MD1 1 46 GLU H . . 4.730 4.381 2.719 4.712 . 0 0 "[ . 1 . 2]" 1
396 1 38 LEU MD1 1 46 GLU HA . . 4.600 3.862 2.875 4.259 . 0 0 "[ . 1 . 2]" 1
397 1 38 LEU MD2 1 43 PHE H . . 5.090 4.843 3.291 5.119 0.029 6 0 "[ . 1 . 2]" 1
398 1 38 LEU MD2 1 43 PHE HB3 . . 4.620 4.380 2.754 4.672 0.052 20 0 "[ . 1 . 2]" 1
399 1 38 LEU MD2 1 43 PHE QD . . 5.210 3.239 1.899 3.750 . 0 0 "[ . 1 . 2]" 1
400 1 38 LEU MD2 1 46 GLU HA . . 3.520 2.252 1.896 2.947 . 0 0 "[ . 1 . 2]" 1
401 1 38 LEU MD2 1 46 GLU HG3 . . 4.730 3.010 2.131 4.057 . 0 0 "[ . 1 . 2]" 1
402 1 38 LEU HG 1 43 PHE HB2 . . 4.530 4.205 3.971 4.389 . 0 0 "[ . 1 . 2]" 1
403 1 38 LEU HG 1 46 GLU HA . . 4.480 3.920 3.050 4.495 0.015 7 0 "[ . 1 . 2]" 1
404 1 39 ASP H 1 39 ASP HB2 . . 4.140 2.299 2.114 2.470 . 0 0 "[ . 1 . 2]" 1
405 1 39 ASP H 1 39 ASP HB3 . . 3.530 2.800 2.594 3.080 . 0 0 "[ . 1 . 2]" 1
406 1 39 ASP H 1 40 LEU H . . 4.620 2.654 2.586 2.736 . 0 0 "[ . 1 . 2]" 1
407 1 39 ASP H 1 40 LEU QD . . 5.440 5.154 4.905 5.509 0.069 6 0 "[ . 1 . 2]" 1
408 1 39 ASP H 1 41 THR H . . 4.610 4.206 4.070 4.281 . 0 0 "[ . 1 . 2]" 1
409 1 39 ASP HB2 1 40 LEU H . . 4.760 3.852 3.517 4.060 . 0 0 "[ . 1 . 2]" 1
410 1 39 ASP HB3 1 40 LEU HB2 . . 4.510 4.476 4.345 4.553 0.043 17 0 "[ . 1 . 2]" 1
411 1 39 ASP HB3 1 40 LEU QD . . 4.780 4.451 3.817 4.829 0.049 6 0 "[ . 1 . 2]" 1
412 1 39 ASP HB3 1 90 VAL MG2 . . 4.650 4.197 3.760 4.693 0.043 12 0 "[ . 1 . 2]" 1
413 1 40 LEU H 1 40 LEU HB3 . . 3.720 2.967 2.566 3.135 . 0 0 "[ . 1 . 2]" 1
414 1 40 LEU H 1 40 LEU QD . . 4.620 3.396 3.130 3.598 . 0 0 "[ . 1 . 2]" 1
415 1 40 LEU H 1 40 LEU HG . . 4.820 4.392 4.219 4.604 . 0 0 "[ . 1 . 2]" 1
416 1 40 LEU H 1 41 THR H . . 3.540 2.662 2.535 2.723 . 0 0 "[ . 1 . 2]" 1
417 1 40 LEU H 1 41 THR MG . . 4.980 4.932 4.661 5.029 0.049 14 0 "[ . 1 . 2]" 1
418 1 40 LEU HA 1 40 LEU QD . . 3.170 2.497 1.890 2.941 . 0 0 "[ . 1 . 2]" 1
419 1 40 LEU HA 1 41 THR H . . 3.460 3.423 3.313 3.465 0.005 7 0 "[ . 1 . 2]" 1
420 1 40 LEU HA 1 90 VAL MG2 . . 4.070 4.084 3.972 4.174 0.104 14 0 "[ . 1 . 2]" 1
421 1 40 LEU HB2 1 41 THR H . . 4.540 3.784 3.644 4.061 . 0 0 "[ . 1 . 2]" 1
422 1 40 LEU HB2 1 41 THR MG . . 4.740 4.737 4.465 4.795 0.055 15 0 "[ . 1 . 2]" 1
423 1 40 LEU QD 1 41 THR H . . 4.810 4.145 3.247 4.392 . 0 0 "[ . 1 . 2]" 1
424 1 40 LEU QD 1 41 THR MG . . 4.110 3.441 1.982 4.192 0.082 20 0 "[ . 1 . 2]" 1
425 1 40 LEU QD 1 92 LEU HA . . 4.420 2.961 2.746 3.212 . 0 0 "[ . 1 . 2]" 1
426 1 40 LEU HG 1 92 LEU HA . . 4.500 4.427 3.920 4.595 0.095 4 0 "[ . 1 . 2]" 1
427 1 40 LEU HG 1 93 PRO HD2 . . 5.030 5.098 5.034 5.196 0.166 6 0 "[ . 1 . 2]" 1
428 1 41 THR H 1 41 THR MG . . 4.050 3.302 3.127 3.471 . 0 0 "[ . 1 . 2]" 1
429 1 41 THR HA 1 43 PHE QE . . 4.960 4.713 4.457 4.905 . 0 0 "[ . 1 . 2]" 1
430 1 41 THR HB 1 43 PHE QD . . 3.890 2.444 2.254 3.109 . 0 0 "[ . 1 . 2]" 1
431 1 41 THR MG 1 43 PHE QD . . 3.320 3.123 2.785 3.452 0.132 10 0 "[ . 1 . 2]" 1
432 1 41 THR MG 1 43 PHE QE . . 3.420 1.980 1.929 2.246 . 0 0 "[ . 1 . 2]" 1
433 1 41 THR MG 1 43 PHE HZ . . 3.450 3.565 3.511 3.624 0.174 20 0 "[ . 1 . 2]" 1
434 1 41 THR MG 1 49 LEU QD . . 4.710 2.285 1.848 2.696 . 0 0 "[ . 1 . 2]" 1
435 1 41 THR MG 1 49 LEU HG . . 3.540 3.022 2.464 3.605 0.065 11 0 "[ . 1 . 2]" 1
436 1 41 THR MG 1 77 PHE HA . . 3.520 3.514 3.123 3.656 0.136 16 0 "[ . 1 . 2]" 1
437 1 41 THR MG 1 119 ARG QB . . 4.900 3.624 2.530 4.758 . 0 0 "[ . 1 . 2]" 1
438 1 41 THR MG 1 119 ARG QG . . 5.040 3.403 1.962 4.914 . 0 0 "[ . 1 . 2]" 1
439 1 42 ASP HA 1 43 PHE H . . 3.340 2.767 2.374 3.334 . 0 0 "[ . 1 . 2]" 1
440 1 42 ASP HB3 1 43 PHE QD . . 4.990 4.878 4.515 5.216 0.226 14 0 "[ . 1 . 2]" 1
441 1 43 PHE H 1 43 PHE HB2 . . 4.070 2.630 2.317 2.853 . 0 0 "[ . 1 . 2]" 1
442 1 43 PHE H 1 43 PHE HB3 . . 3.840 3.717 3.579 3.889 0.049 20 0 "[ . 1 . 2]" 1
443 1 43 PHE HA 1 43 PHE QD . . 3.450 2.433 2.071 2.675 . 0 0 "[ . 1 . 2]" 1
444 1 43 PHE HA 1 44 HIS H . . 3.330 2.646 2.353 3.470 0.140 11 0 "[ . 1 . 2]" 1
445 1 43 PHE HB2 1 44 HIS H . . 3.480 3.155 2.903 3.514 0.034 20 0 "[ . 1 . 2]" 1
446 1 43 PHE HB2 1 45 THR H . . 3.560 3.027 2.561 3.592 0.032 10 0 "[ . 1 . 2]" 1
447 1 43 PHE HB2 1 48 GLU QB . . 4.790 3.269 3.118 3.826 . 0 0 "[ . 1 . 2]" 1
448 1 43 PHE HB3 1 44 HIS H . . 4.840 2.199 1.924 3.905 . 0 0 "[ . 1 . 2]" 1
449 1 43 PHE HB3 1 45 THR MG . . 4.870 3.959 3.182 4.955 0.085 20 0 "[ . 1 . 2]" 1
450 1 43 PHE QD 1 44 HIS H . . 4.600 3.845 3.256 4.439 . 0 0 "[ . 1 . 2]" 1
451 1 43 PHE QD 1 48 GLU HA . . 4.580 4.683 4.430 4.816 0.236 14 0 "[ . 1 . 2]" 1
452 1 43 PHE QD 1 48 GLU QB . . 4.060 2.448 2.148 2.537 . 0 0 "[ . 1 . 2]" 1
453 1 43 PHE QD 1 48 GLU HG2 . . 4.650 4.502 4.134 4.706 0.056 11 0 "[ . 1 . 2]" 1
454 1 43 PHE QD 1 48 GLU QG . . 3.910 3.860 2.860 4.004 0.094 11 0 "[ . 1 . 2]" 1
455 1 43 PHE QD 1 48 GLU HG3 . . 4.880 4.280 2.902 4.883 0.003 1 0 "[ . 1 . 2]" 1
456 1 43 PHE QD 1 49 LEU HA . . 4.190 3.271 2.987 3.545 . 0 0 "[ . 1 . 2]" 1
457 1 43 PHE QD 1 49 LEU HB2 . . 4.740 2.729 2.291 3.090 . 0 0 "[ . 1 . 2]" 1
458 1 43 PHE QD 1 49 LEU HB3 . . 4.900 4.314 3.952 4.580 . 0 0 "[ . 1 . 2]" 1
459 1 43 PHE QD 1 49 LEU QD . . 3.880 2.530 1.957 3.231 . 0 0 "[ . 1 . 2]" 1
460 1 43 PHE QD 1 49 LEU HG . . 3.530 3.054 2.257 3.585 0.055 14 0 "[ . 1 . 2]" 1
461 1 43 PHE QE 1 49 LEU HA . . 4.170 2.844 2.603 3.131 . 0 0 "[ . 1 . 2]" 1
462 1 43 PHE QE 1 49 LEU QD . . 3.030 2.572 1.969 3.041 0.011 17 0 "[ . 1 . 2]" 1
463 1 43 PHE QE 1 49 LEU HG . . 3.400 2.181 1.995 2.703 . 0 0 "[ . 1 . 2]" 1
464 1 44 HIS H 1 45 THR H . . 3.280 2.073 1.886 2.604 . 0 0 "[ . 1 . 2]" 1
465 1 44 HIS H 1 48 GLU QB . . 4.460 2.875 2.443 4.695 0.235 11 0 "[ . 1 . 2]" 1
466 1 44 HIS QB 1 45 THR MG . . 3.000 2.707 2.350 3.041 0.041 10 0 "[ . 1 . 2]" 1
467 1 44 HIS HB2 1 45 THR MG . . 3.450 3.120 2.595 3.454 0.004 11 0 "[ . 1 . 2]" 1
468 1 44 HIS HB3 1 45 THR MG . . 3.450 3.052 2.421 3.421 . 0 0 "[ . 1 . 2]" 1
469 1 45 THR H 1 45 THR MG . . 3.920 2.667 2.161 2.932 . 0 0 "[ . 1 . 2]" 1
470 1 45 THR H 1 48 GLU QB . . 3.490 2.674 2.397 3.499 0.009 11 0 "[ . 1 . 2]" 1
471 1 45 THR HA 1 45 THR HB . . 2.880 2.331 2.306 2.401 . 0 0 "[ . 1 . 2]" 1
472 1 45 THR HA 1 45 THR MG . . 3.360 3.070 2.425 3.194 . 0 0 "[ . 1 . 2]" 1
473 1 45 THR HA 1 46 GLU H . . 3.240 2.396 2.267 2.738 . 0 0 "[ . 1 . 2]" 1
474 1 45 THR HA 1 46 GLU HA . . 4.700 4.307 4.295 4.347 . 0 0 "[ . 1 . 2]" 1
475 1 45 THR HB 1 48 GLU H . . 4.690 4.603 3.916 4.729 0.039 6 0 "[ . 1 . 2]" 1
476 1 45 THR MG 1 46 GLU H . . 4.640 3.834 3.624 3.986 . 0 0 "[ . 1 . 2]" 1
477 1 45 THR MG 1 47 LYS QD . . 3.970 2.295 1.906 3.648 . 0 0 "[ . 1 . 2]" 1
478 1 45 THR MG 1 48 GLU H . . 4.600 2.504 1.914 4.395 . 0 0 "[ . 1 . 2]" 1
479 1 45 THR MG 1 48 GLU QB . . 5.080 2.312 1.916 4.074 . 0 0 "[ . 1 . 2]" 1
480 1 45 THR MG 1 48 GLU HG2 . . 4.900 3.456 2.700 4.908 0.008 19 0 "[ . 1 . 2]" 1
481 1 45 THR MG 1 48 GLU HG3 . . 5.040 2.638 1.967 3.914 . 0 0 "[ . 1 . 2]" 1
482 1 46 GLU H 1 46 GLU HB2 . . 3.360 2.687 2.400 2.744 . 0 0 "[ . 1 . 2]" 1
483 1 46 GLU H 1 46 GLU HG3 . . 3.590 2.152 1.947 2.797 . 0 0 "[ . 1 . 2]" 1
484 1 46 GLU H 1 47 LYS H . . 3.740 2.687 2.372 2.881 . 0 0 "[ . 1 . 2]" 1
485 1 46 GLU H 1 48 GLU H . . 4.290 4.131 3.887 4.325 0.035 11 0 "[ . 1 . 2]" 1
486 1 46 GLU HA 1 46 GLU HB2 . . 2.960 3.016 3.005 3.020 0.060 12 0 "[ . 1 . 2]" 1
487 1 46 GLU HA 1 46 GLU HG2 . . 3.900 3.137 2.589 3.399 . 0 0 "[ . 1 . 2]" 1
488 1 46 GLU HA 1 46 GLU HG3 . . 4.150 2.811 2.326 3.447 . 0 0 "[ . 1 . 2]" 1
489 1 46 GLU HA 1 49 LEU H . . 4.490 3.307 3.191 3.419 . 0 0 "[ . 1 . 2]" 1
490 1 46 GLU HA 1 49 LEU HB2 . . 4.400 3.315 2.978 3.997 . 0 0 "[ . 1 . 2]" 1
491 1 46 GLU HA 1 49 LEU HB3 . . 4.570 3.269 2.674 3.504 . 0 0 "[ . 1 . 2]" 1
492 1 46 GLU HA 1 49 LEU QD . . 3.860 3.643 3.299 3.888 0.028 16 0 "[ . 1 . 2]" 1
493 1 46 GLU HA 1 50 ASN H . . 4.230 4.168 3.877 4.263 0.033 5 0 "[ . 1 . 2]" 1
494 1 46 GLU HB2 1 46 GLU HG3 . . 2.850 2.725 2.374 2.889 0.039 14 0 "[ . 1 . 2]" 1
495 1 47 LYS H 1 47 LYS QB . . 3.290 2.378 2.259 2.537 . 0 0 "[ . 1 . 2]" 1
496 1 47 LYS H 1 47 LYS QD . . 3.270 3.178 2.818 3.642 0.372 16 0 "[ . 1 . 2]" 1
497 1 47 LYS H 1 48 GLU H . . 3.650 2.742 2.646 2.776 . 0 0 "[ . 1 . 2]" 1
498 1 47 LYS HA 1 47 LYS QD . . 4.250 4.175 3.705 4.263 0.013 20 0 "[ . 1 . 2]" 1
499 1 47 LYS HA 1 47 LYS HG2 . . 4.020 3.648 3.569 4.214 0.194 16 0 "[ . 1 . 2]" 1
500 1 47 LYS HA 1 48 GLU H . . 3.550 3.508 3.486 3.532 . 0 0 "[ . 1 . 2]" 1
501 1 47 LYS HA 1 50 ASN H . . 4.690 3.618 3.510 3.881 . 0 0 "[ . 1 . 2]" 1
502 1 47 LYS HA 1 50 ASN HB2 . . 3.700 3.084 2.598 3.712 0.012 11 0 "[ . 1 . 2]" 1
503 1 47 LYS HA 1 50 ASN HB3 . . 4.230 3.925 3.383 4.300 0.070 9 0 "[ . 1 . 2]" 1
504 1 47 LYS HA 1 51 ASP H . . 4.110 3.813 3.518 4.040 . 0 0 "[ . 1 . 2]" 1
505 1 47 LYS QB 1 47 LYS QD . . 2.640 2.032 1.953 2.117 . 0 0 "[ . 1 . 2]" 1
506 1 47 LYS QD 1 48 GLU H . . 4.190 3.837 2.330 4.201 0.011 19 0 "[ . 1 . 2]" 1
507 1 47 LYS QE 1 47 LYS HG2 . . 3.290 2.879 2.258 3.235 . 0 0 "[ . 1 . 2]" 1
508 1 47 LYS QE 1 47 LYS HG3 . . 3.290 2.196 1.984 2.884 . 0 0 "[ . 1 . 2]" 1
509 1 47 LYS HG3 1 48 GLU HA . . 4.290 3.688 3.473 4.479 0.189 16 0 "[ . 1 . 2]" 1
510 1 47 LYS HG3 1 48 GLU HG2 . . 4.600 3.802 3.319 4.381 . 0 0 "[ . 1 . 2]" 1
511 1 48 GLU H 1 48 GLU QB . . 3.220 2.087 2.047 2.131 . 0 0 "[ . 1 . 2]" 1
512 1 48 GLU H 1 48 GLU HG2 . . 3.830 3.586 3.358 3.852 0.022 9 0 "[ . 1 . 2]" 1
513 1 48 GLU H 1 49 LEU H . . 4.070 2.613 2.493 2.714 . 0 0 "[ . 1 . 2]" 1
514 1 48 GLU H 1 50 ASN H . . 4.190 4.226 4.153 4.302 0.112 14 0 "[ . 1 . 2]" 1
515 1 48 GLU H 1 51 ASP H . . 4.650 4.582 4.525 4.663 0.013 4 0 "[ . 1 . 2]" 1
516 1 48 GLU HA 1 48 GLU HG2 . . 3.790 2.151 2.020 2.467 . 0 0 "[ . 1 . 2]" 1
517 1 48 GLU HA 1 48 GLU HG3 . . 3.810 3.373 2.984 3.577 . 0 0 "[ . 1 . 2]" 1
518 1 48 GLU HA 1 51 ASP HB2 . . 3.870 2.908 2.276 3.782 . 0 0 "[ . 1 . 2]" 1
519 1 48 GLU QB 1 49 LEU H . . 3.680 2.691 2.549 2.804 . 0 0 "[ . 1 . 2]" 1
520 1 49 LEU H 1 49 LEU HB2 . . 3.990 2.333 2.191 2.559 . 0 0 "[ . 1 . 2]" 1
521 1 49 LEU H 1 49 LEU HB3 . . 3.670 2.708 2.459 2.872 . 0 0 "[ . 1 . 2]" 1
522 1 49 LEU H 1 50 ASN H . . 3.700 2.684 2.579 2.771 . 0 0 "[ . 1 . 2]" 1
523 1 49 LEU H 1 50 ASN HB2 . . 4.660 4.608 4.489 4.719 0.059 2 0 "[ . 1 . 2]" 1
524 1 49 LEU HA 1 49 LEU QD . . 3.700 2.851 2.380 3.111 . 0 0 "[ . 1 . 2]" 1
525 1 49 LEU HA 1 49 LEU HG . . 3.640 2.428 2.333 2.585 . 0 0 "[ . 1 . 2]" 1
526 1 49 LEU HB2 1 50 ASN H . . 3.610 3.621 3.488 3.736 0.126 10 0 "[ . 1 . 2]" 1
527 1 49 LEU HB3 1 50 ASN H . . 4.550 2.429 2.304 2.553 . 0 0 "[ . 1 . 2]" 1
528 1 49 LEU QD 1 50 ASN H . . 4.580 3.245 2.471 3.507 . 0 0 "[ . 1 . 2]" 1
529 1 49 LEU QD 1 50 ASN HA . . 3.610 3.094 2.559 3.318 . 0 0 "[ . 1 . 2]" 1
530 1 49 LEU QD 1 50 ASN HB2 . . 4.860 4.248 3.533 4.867 0.007 9 0 "[ . 1 . 2]" 1
531 1 49 LEU QD 1 77 PHE HB2 . . 3.180 3.200 2.714 3.286 0.106 20 0 "[ . 1 . 2]" 1
532 1 49 LEU QD 1 77 PHE QB . . 2.730 1.853 1.773 1.878 . 0 0 "[ . 1 . 2]" 1
533 1 49 LEU QD 1 77 PHE HB3 . . 3.180 1.866 1.797 1.889 . 0 0 "[ . 1 . 2]" 1
534 1 49 LEU QD 1 78 LYS HE2 . . 4.390 3.532 3.072 4.365 . 0 0 "[ . 1 . 2]" 1
535 1 49 LEU QD 1 78 LYS HE3 . . 4.240 3.768 2.617 4.186 . 0 0 "[ . 1 . 2]" 1
536 1 50 ASN H 1 50 ASN HB3 . . 3.710 3.305 2.923 3.584 . 0 0 "[ . 1 . 2]" 1
537 1 50 ASN HA 1 53 LEU HB2 . . 4.170 3.443 2.495 4.214 0.044 16 0 "[ . 1 . 2]" 1
538 1 50 ASN HA 1 53 LEU MD1 . . 3.910 2.582 1.895 3.953 0.043 5 0 "[ . 1 . 2]" 1
539 1 50 ASN HA 1 53 LEU MD2 . . 4.760 3.666 3.165 4.206 . 0 0 "[ . 1 . 2]" 1
540 1 50 ASN HD21 1 53 LEU MD2 . . 4.880 4.088 3.504 4.595 . 0 0 "[ . 1 . 2]" 1
541 1 50 ASN HD21 1 53 LEU HG . . 5.160 4.308 3.145 5.294 0.134 11 0 "[ . 1 . 2]" 1
542 1 50 ASN HD21 1 78 LYS HE2 . . 4.200 4.140 3.524 4.261 0.061 9 0 "[ . 1 . 2]" 1
543 1 50 ASN HD22 1 78 LYS HE3 . . 4.330 4.297 3.914 4.424 0.094 14 0 "[ . 1 . 2]" 1
544 1 51 ASP H 1 51 ASP HB2 . . 3.070 2.427 2.178 2.867 . 0 0 "[ . 1 . 2]" 1
545 1 51 ASP H 1 52 LYS H . . 3.370 2.554 2.425 2.702 . 0 0 "[ . 1 . 2]" 1
546 1 51 ASP HA 1 54 ASN H . . 4.790 3.789 3.607 3.938 . 0 0 "[ . 1 . 2]" 1
547 1 51 ASP HA 1 54 ASN HB2 . . 4.380 4.154 3.837 4.576 0.196 7 0 "[ . 1 . 2]" 1
548 1 51 ASP HA 1 54 ASN HD21 . . 4.450 2.936 2.184 4.501 0.051 7 0 "[ . 1 . 2]" 1
549 1 51 ASP HB2 1 52 LYS H . . 4.470 3.170 2.679 4.135 . 0 0 "[ . 1 . 2]" 1
550 1 52 LYS H 1 52 LYS QB . . 3.210 2.192 2.053 2.244 . 0 0 "[ . 1 . 2]" 1
551 1 52 LYS H 1 52 LYS QG . . 4.900 3.929 3.112 4.024 . 0 0 "[ . 1 . 2]" 1
552 1 52 LYS HA 1 54 ASN H . . 4.600 3.888 3.705 4.200 . 0 0 "[ . 1 . 2]" 1
553 1 52 LYS HA 1 55 ASP H . . 4.000 3.445 3.294 3.555 . 0 0 "[ . 1 . 2]" 1
554 1 52 LYS QB 1 55 ASP HB2 . . 4.480 4.524 4.144 4.688 0.208 14 0 "[ . 1 . 2]" 1
555 1 52 LYS QE 1 52 LYS QG . . 3.390 2.223 1.953 2.585 . 0 0 "[ . 1 . 2]" 1
556 1 52 LYS QE 1 56 TYR QE . . 4.860 4.825 4.512 4.966 0.106 3 0 "[ . 1 . 2]" 1
557 1 52 LYS QE 1 77 PHE QD . . 3.670 3.781 3.689 3.920 0.250 19 0 "[ . 1 . 2]" 1
558 1 52 LYS QG 1 55 ASP HB2 . . 4.280 3.099 2.776 4.515 0.235 20 0 "[ . 1 . 2]" 1
559 1 53 LEU H 1 53 LEU HB2 . . 3.750 2.366 2.081 2.631 . 0 0 "[ . 1 . 2]" 1
560 1 53 LEU H 1 53 LEU HB3 . . 3.850 3.513 3.387 3.589 . 0 0 "[ . 1 . 2]" 1
561 1 53 LEU H 1 53 LEU MD2 . . 4.590 3.149 2.012 4.399 . 0 0 "[ . 1 . 2]" 1
562 1 53 LEU HA 1 53 LEU MD1 . . 4.280 3.372 2.869 3.573 . 0 0 "[ . 1 . 2]" 1
563 1 53 LEU HA 1 53 LEU MD2 . . 4.280 2.575 1.886 3.477 . 0 0 "[ . 1 . 2]" 1
564 1 53 LEU HA 1 56 TYR QD . . 3.520 1.980 1.907 2.146 . 0 0 "[ . 1 . 2]" 1
565 1 53 LEU HA 1 56 TYR QE . . 3.860 3.660 3.229 3.874 0.014 9 0 "[ . 1 . 2]" 1
566 1 53 LEU HB2 1 54 ASN H . . 4.250 2.888 2.634 3.101 . 0 0 "[ . 1 . 2]" 1
567 1 53 LEU HB3 1 53 LEU MD1 . . 3.510 2.542 2.034 3.070 . 0 0 "[ . 1 . 2]" 1
568 1 53 LEU HB3 1 56 TYR QD . . 4.520 3.047 2.522 3.657 . 0 0 "[ . 1 . 2]" 1
569 1 53 LEU QD 1 77 PHE QD . . 3.170 2.406 2.194 2.539 . 0 0 "[ . 1 . 2]" 1
570 1 53 LEU QD 1 77 PHE HZ . . 3.560 3.195 2.716 3.589 0.029 15 0 "[ . 1 . 2]" 1
571 1 53 LEU MD1 1 54 ASN H . . 4.880 4.750 4.450 4.971 0.091 16 0 "[ . 1 . 2]" 1
572 1 53 LEU MD1 1 77 PHE HB2 . . 4.570 3.443 3.073 3.682 . 0 0 "[ . 1 . 2]" 1
573 1 53 LEU MD1 1 77 PHE HB3 . . 3.440 3.168 2.568 3.578 0.138 5 0 "[ . 1 . 2]" 1
574 1 53 LEU MD1 1 77 PHE QD . . 3.740 2.696 2.232 3.359 . 0 0 "[ . 1 . 2]" 1
575 1 53 LEU MD1 1 77 PHE HZ . . 4.160 4.220 3.806 4.361 0.201 14 0 "[ . 1 . 2]" 1
576 1 53 LEU MD1 1 78 LYS HD3 . . 5.200 5.250 5.114 5.312 0.112 2 0 "[ . 1 . 2]" 1
577 1 53 LEU MD1 1 78 LYS HE2 . . 3.980 3.838 3.402 4.028 0.048 5 0 "[ . 1 . 2]" 1
578 1 53 LEU MD1 1 78 LYS HE3 . . 3.970 3.212 2.881 3.825 . 0 0 "[ . 1 . 2]" 1
579 1 53 LEU MD2 1 54 ASN H . . 4.890 4.453 4.171 4.821 . 0 0 "[ . 1 . 2]" 1
580 1 53 LEU MD2 1 56 TYR QD . . 3.780 3.007 2.762 3.551 . 0 0 "[ . 1 . 2]" 1
581 1 53 LEU MD2 1 56 TYR QE . . 3.900 2.763 1.873 3.606 . 0 0 "[ . 1 . 2]" 1
582 1 53 LEU MD2 1 73 LEU MD1 . . 4.130 3.054 1.973 3.990 . 0 0 "[ . 1 . 2]" 1
583 1 53 LEU MD2 1 73 LEU MD2 . . 4.660 4.056 3.292 4.733 0.073 14 0 "[ . 1 . 2]" 1
584 1 53 LEU MD2 1 77 PHE HB2 . . 5.030 3.960 3.461 4.503 . 0 0 "[ . 1 . 2]" 1
585 1 53 LEU MD2 1 77 PHE QD . . 3.740 2.886 2.399 3.701 . 0 0 "[ . 1 . 2]" 1
586 1 53 LEU MD2 1 77 PHE QE . . 4.830 2.708 2.189 3.491 . 0 0 "[ . 1 . 2]" 1
587 1 53 LEU MD2 1 77 PHE HZ . . 3.760 3.358 2.749 3.878 0.118 3 0 "[ . 1 . 2]" 1
588 1 53 LEU MD2 1 78 LYS HE3 . . 4.280 4.105 3.482 4.405 0.125 14 0 "[ . 1 . 2]" 1
589 1 53 LEU HG 1 54 ASN H . . 4.910 4.685 4.328 5.036 0.126 12 0 "[ . 1 . 2]" 1
590 1 53 LEU HG 1 57 TYR QE . . 4.450 4.560 4.518 4.652 0.202 7 0 "[ . 1 . 2]" 1
591 1 54 ASN H 1 54 ASN HB2 . . 2.970 2.323 2.077 3.163 0.193 7 0 "[ . 1 . 2]" 1
592 1 54 ASN H 1 54 ASN HD21 . . 3.440 2.748 1.995 3.539 0.099 7 0 "[ . 1 . 2]" 1
593 1 54 ASN HA 1 54 ASN HB3 . . 2.820 2.652 2.514 2.884 0.064 7 0 "[ . 1 . 2]" 1
594 1 54 ASN HB2 1 54 ASN HD21 . . 3.580 2.294 2.114 3.418 . 0 0 "[ . 1 . 2]" 1
595 1 54 ASN HB2 1 54 ASN HD22 . . 3.990 3.509 3.433 4.025 0.035 7 0 "[ . 1 . 2]" 1
596 1 55 ASP H 1 55 ASP HB2 . . 3.000 2.095 2.067 2.198 . 0 0 "[ . 1 . 2]" 1
597 1 55 ASP H 1 55 ASP HB3 . . 3.380 3.302 2.928 3.486 0.106 20 0 "[ . 1 . 2]" 1
598 1 55 ASP H 1 56 TYR H . . 3.620 2.767 2.686 2.816 . 0 0 "[ . 1 . 2]" 1
599 1 55 ASP HA 1 57 TYR H . . 4.330 4.303 4.226 4.357 0.027 14 0 "[ . 1 . 2]" 1
600 1 55 ASP HA 1 58 ALA H . . 4.700 4.029 3.833 4.144 . 0 0 "[ . 1 . 2]" 1
601 1 55 ASP HA 1 58 ALA MB . . 5.220 3.746 3.459 3.983 . 0 0 "[ . 1 . 2]" 1
602 1 55 ASP HB3 1 56 TYR H . . 4.250 2.768 2.351 3.114 . 0 0 "[ . 1 . 2]" 1
603 1 56 TYR H 1 56 TYR HB2 . . 3.930 3.400 3.307 3.458 . 0 0 "[ . 1 . 2]" 1
604 1 56 TYR H 1 56 TYR HB3 . . 4.130 2.112 2.068 2.152 . 0 0 "[ . 1 . 2]" 1
605 1 56 TYR H 1 57 TYR H . . 3.520 2.530 2.459 2.657 . 0 0 "[ . 1 . 2]" 1
606 1 56 TYR HA 1 56 TYR QD . . 4.090 3.400 3.316 3.499 . 0 0 "[ . 1 . 2]" 1
607 1 56 TYR HA 1 59 LEU H . . 4.150 3.483 3.416 3.596 . 0 0 "[ . 1 . 2]" 1
608 1 56 TYR HA 1 59 LEU HB3 . . 4.600 4.305 3.899 4.669 0.069 14 0 "[ . 1 . 2]" 1
609 1 56 TYR HA 1 59 LEU MD1 . . 4.190 4.169 3.945 4.240 0.050 14 0 "[ . 1 . 2]" 1
610 1 56 TYR HB2 1 59 LEU MD1 . . 5.210 4.447 4.269 4.625 . 0 0 "[ . 1 . 2]" 1
611 1 56 TYR HB3 1 77 PHE HZ . . 4.900 3.457 3.076 3.659 . 0 0 "[ . 1 . 2]" 1
612 1 56 TYR QD 1 59 LEU MD1 . . 3.920 3.969 3.894 4.048 0.128 18 0 "[ . 1 . 2]" 1
613 1 56 TYR QD 1 73 LEU MD1 . . 4.600 4.270 4.109 4.490 . 0 0 "[ . 1 . 2]" 1
614 1 56 TYR QD 1 73 LEU QD . . 3.510 3.454 3.301 3.542 0.032 3 0 "[ . 1 . 2]" 1
615 1 56 TYR QD 1 73 LEU MD2 . . 3.630 3.650 3.464 3.728 0.098 10 0 "[ . 1 . 2]" 1
616 1 56 TYR QE 1 59 LEU MD2 . . 3.800 3.736 3.462 3.838 0.038 8 0 "[ . 1 . 2]" 1
617 1 56 TYR QE 1 73 LEU QD . . 4.030 2.261 2.092 2.470 . 0 0 "[ . 1 . 2]" 1
618 1 57 TYR H 1 57 TYR QB . . 3.050 2.106 2.070 2.150 . 0 0 "[ . 1 . 2]" 1
619 1 57 TYR H 1 57 TYR QD . . 4.440 2.968 2.756 3.183 . 0 0 "[ . 1 . 2]" 1
620 1 57 TYR H 1 58 ALA MB . . 5.090 4.413 4.344 4.475 . 0 0 "[ . 1 . 2]" 1
621 1 57 TYR HA 1 57 TYR QD . . 3.320 2.786 2.647 2.972 . 0 0 "[ . 1 . 2]" 1
622 1 57 TYR HA 1 57 TYR QE . . 4.460 4.381 4.335 4.430 . 0 0 "[ . 1 . 2]" 1
623 1 57 TYR HA 1 60 LYS H . . 4.480 3.661 3.608 3.720 . 0 0 "[ . 1 . 2]" 1
624 1 57 TYR HA 1 60 LYS HG2 . . 4.570 4.672 4.635 4.703 0.133 11 0 "[ . 1 . 2]" 1
625 1 57 TYR QB 1 58 ALA H . . 3.730 2.794 2.738 2.861 . 0 0 "[ . 1 . 2]" 1
626 1 57 TYR QB 1 58 ALA HA . . 4.660 3.797 3.757 3.846 . 0 0 "[ . 1 . 2]" 1
627 1 57 TYR QB 1 58 ALA MB . . 4.400 4.008 3.945 4.072 . 0 0 "[ . 1 . 2]" 1
628 1 57 TYR QB 1 60 LYS QD . . 4.640 4.544 4.405 4.675 0.035 5 0 "[ . 1 . 2]" 1
629 1 57 TYR QD 1 60 LYS QD . . 3.890 3.956 3.905 4.068 0.178 7 0 "[ . 1 . 2]" 1
630 1 57 TYR QD 1 60 LYS QE . . 3.970 2.176 1.999 2.388 . 0 0 "[ . 1 . 2]" 1
631 1 57 TYR QD 1 60 LYS HE3 . . 4.430 2.358 2.137 2.809 . 0 0 "[ . 1 . 2]" 1
632 1 57 TYR QE 1 60 LYS HE2 . . 4.450 4.334 3.706 4.469 0.019 5 0 "[ . 1 . 2]" 1
633 1 57 TYR QE 1 60 LYS QE . . 4.350 3.873 3.541 3.975 . 0 0 "[ . 1 . 2]" 1
634 1 57 TYR QE 1 60 LYS HE3 . . 4.450 4.383 3.968 4.493 0.043 7 0 "[ . 1 . 2]" 1
635 1 58 ALA H 1 58 ALA MB . . 3.030 2.134 2.029 2.233 . 0 0 "[ . 1 . 2]" 1
636 1 58 ALA H 1 59 LEU H . . 3.580 2.740 2.709 2.749 . 0 0 "[ . 1 . 2]" 1
637 1 58 ALA H 1 60 LYS H . . 4.670 4.171 4.136 4.223 . 0 0 "[ . 1 . 2]" 1
638 1 58 ALA HA 1 60 LYS H . . 4.580 3.560 3.517 3.608 . 0 0 "[ . 1 . 2]" 1
639 1 58 ALA MB 1 59 LEU H . . 4.370 2.803 2.745 2.898 . 0 0 "[ . 1 . 2]" 1
640 1 58 ALA MB 1 59 LEU HA . . 4.990 3.805 3.744 3.883 . 0 0 "[ . 1 . 2]" 1
641 1 58 ALA MB 1 60 LYS H . . 5.410 4.229 4.193 4.246 . 0 0 "[ . 1 . 2]" 1
642 1 59 LEU H 1 59 LEU MD1 . . 4.240 4.023 3.893 4.191 . 0 0 "[ . 1 . 2]" 1
643 1 59 LEU H 1 59 LEU MD2 . . 4.390 4.244 4.046 4.343 . 0 0 "[ . 1 . 2]" 1
644 1 59 LEU H 1 60 LYS H . . 3.380 2.644 2.638 2.648 . 0 0 "[ . 1 . 2]" 1
645 1 59 LEU HA 1 59 LEU MD1 . . 4.120 3.136 2.918 3.376 . 0 0 "[ . 1 . 2]" 1
646 1 59 LEU HA 1 59 LEU MD2 . . 3.950 3.660 3.601 3.727 . 0 0 "[ . 1 . 2]" 1
647 1 59 LEU HA 1 61 HIS H . . 4.620 3.601 3.545 3.664 . 0 0 "[ . 1 . 2]" 1
648 1 59 LEU HA 1 62 VAL H . . 4.230 3.599 3.550 3.688 . 0 0 "[ . 1 . 2]" 1
649 1 59 LEU QB 1 117 PHE QE . . 3.580 3.429 3.151 3.629 0.049 18 0 "[ . 1 . 2]" 1
650 1 59 LEU HB2 1 60 LYS H . . 4.410 4.068 3.954 4.214 . 0 0 "[ . 1 . 2]" 1
651 1 59 LEU HB2 1 117 PHE QE . . 4.010 3.998 3.724 4.103 0.093 14 0 "[ . 1 . 2]" 1
652 1 59 LEU HB3 1 117 PHE QE . . 4.220 3.766 3.294 4.232 0.012 15 0 "[ . 1 . 2]" 1
653 1 59 LEU QD 1 117 PHE QD . . 3.270 2.840 2.654 3.295 0.025 15 0 "[ . 1 . 2]" 1
654 1 59 LEU QD 1 117 PHE QE . . 3.100 2.067 1.896 2.270 . 0 0 "[ . 1 . 2]" 1
655 1 59 LEU QD 1 117 PHE HZ . . 3.020 2.359 2.008 2.789 . 0 0 "[ . 1 . 2]" 1
656 1 59 LEU MD1 1 117 PHE QD . . 3.770 2.961 2.732 3.630 . 0 0 "[ . 1 . 2]" 1
657 1 59 LEU MD1 1 117 PHE QE . . 3.580 2.486 2.167 2.675 . 0 0 "[ . 1 . 2]" 1
658 1 59 LEU MD1 1 117 PHE HZ . . 3.670 2.630 2.072 2.913 . 0 0 "[ . 1 . 2]" 1
659 1 59 LEU MD2 1 65 CYS HA . . 4.040 3.997 3.642 4.153 0.113 14 0 "[ . 1 . 2]" 1
660 1 59 LEU MD2 1 66 TRP HB3 . . 4.410 3.743 3.226 4.468 0.058 12 0 "[ . 1 . 2]" 1
661 1 59 LEU MD2 1 117 PHE QD . . 3.770 3.692 3.394 3.818 0.048 12 0 "[ . 1 . 2]" 1
662 1 59 LEU MD2 1 117 PHE QE . . 3.580 2.243 1.946 2.602 . 0 0 "[ . 1 . 2]" 1
663 1 59 LEU MD2 1 117 PHE HZ . . 3.670 2.961 2.081 3.718 0.048 12 0 "[ . 1 . 2]" 1
664 1 59 LEU HG 1 60 LYS H . . 4.860 4.701 4.576 4.792 . 0 0 "[ . 1 . 2]" 1
665 1 59 LEU HG 1 66 TRP HA . . 4.660 4.585 4.247 4.693 0.033 7 0 "[ . 1 . 2]" 1
666 1 60 LYS H 1 60 LYS HB3 . . 3.570 2.390 2.336 2.439 . 0 0 "[ . 1 . 2]" 1
667 1 60 LYS HA 1 60 LYS HG2 . . 4.240 3.810 3.791 3.837 . 0 0 "[ . 1 . 2]" 1
668 1 60 LYS HA 1 62 VAL H . . 4.170 3.969 3.764 4.177 0.007 15 0 "[ . 1 . 2]" 1
669 1 60 LYS HA 1 66 TRP HA . . 4.800 4.185 3.877 4.429 . 0 0 "[ . 1 . 2]" 1
670 1 60 LYS HA 1 66 TRP HB2 . . 3.680 2.380 2.095 2.678 . 0 0 "[ . 1 . 2]" 1
671 1 60 LYS HA 1 66 TRP HD1 . . 4.960 4.426 3.435 5.047 0.087 6 0 "[ . 1 . 2]" 1
672 1 60 LYS HB2 1 60 LYS HE3 . . 4.330 3.701 3.236 4.243 . 0 0 "[ . 1 . 2]" 1
673 1 60 LYS HB2 1 66 TRP HB2 . . 4.570 4.562 4.369 4.645 0.075 11 0 "[ . 1 . 2]" 1
674 1 60 LYS HB3 1 60 LYS HE2 . . 4.640 3.294 1.986 4.120 . 0 0 "[ . 1 . 2]" 1
675 1 60 LYS HB3 1 61 HIS H . . 4.480 3.944 3.895 3.998 . 0 0 "[ . 1 . 2]" 1
676 1 60 LYS QD 1 61 HIS HA . . 4.590 4.616 4.558 4.655 0.065 15 0 "[ . 1 . 2]" 1
677 1 60 LYS HE2 1 60 LYS HG2 . . 3.750 3.318 2.427 3.650 . 0 0 "[ . 1 . 2]" 1
678 1 60 LYS HE3 1 60 LYS HG2 . . 3.760 2.677 2.440 3.351 . 0 0 "[ . 1 . 2]" 1
679 1 61 HIS H 1 62 VAL H . . 4.120 2.810 2.764 2.866 . 0 0 "[ . 1 . 2]" 1
680 1 61 HIS HA 1 61 HIS HD2 . . 4.880 3.403 2.322 4.420 . 0 0 "[ . 1 . 2]" 1
681 1 61 HIS HB2 1 62 VAL H . . 4.960 3.212 2.939 3.563 . 0 0 "[ . 1 . 2]" 1
682 1 61 HIS HB2 1 62 VAL MG2 . . 5.000 3.745 3.335 4.220 . 0 0 "[ . 1 . 2]" 1
683 1 61 HIS HB3 1 62 VAL MG2 . . 3.990 2.868 2.635 3.104 . 0 0 "[ . 1 . 2]" 1
684 1 62 VAL H 1 62 VAL HB . . 3.700 2.542 2.475 2.617 . 0 0 "[ . 1 . 2]" 1
685 1 62 VAL H 1 62 VAL MG1 . . 4.770 3.806 3.778 3.835 . 0 0 "[ . 1 . 2]" 1
686 1 62 VAL H 1 62 VAL MG2 . . 3.830 2.554 2.363 2.734 . 0 0 "[ . 1 . 2]" 1
687 1 62 VAL HA 1 62 VAL MG2 . . 3.610 2.334 2.268 2.426 . 0 0 "[ . 1 . 2]" 1
688 1 62 VAL HB 1 65 CYS H . . 4.650 3.517 3.273 3.828 . 0 0 "[ . 1 . 2]" 1
689 1 62 VAL HB 1 65 CYS HB3 . . 4.210 3.804 3.082 4.191 . 0 0 "[ . 1 . 2]" 1
690 1 62 VAL HB 1 66 TRP H . . 4.880 3.778 3.626 3.991 . 0 0 "[ . 1 . 2]" 1
691 1 62 VAL MG1 1 63 PRO HA . . 4.740 4.291 4.238 4.338 . 0 0 "[ . 1 . 2]" 1
692 1 62 VAL MG1 1 65 CYS H . . 3.880 1.986 1.880 2.317 . 0 0 "[ . 1 . 2]" 1
693 1 62 VAL MG1 1 65 CYS HB2 . . 3.530 2.229 1.946 2.654 . 0 0 "[ . 1 . 2]" 1
694 1 62 VAL MG1 1 65 CYS HB3 . . 3.420 3.437 3.327 3.502 0.082 7 0 "[ . 1 . 2]" 1
695 1 62 VAL MG1 1 66 TRP H . . 4.380 3.314 3.146 3.557 . 0 0 "[ . 1 . 2]" 1
696 1 62 VAL MG2 1 63 PRO HD2 . . 4.500 3.726 3.623 3.790 . 0 0 "[ . 1 . 2]" 1
697 1 62 VAL MG2 1 63 PRO HD3 . . 4.700 4.362 4.321 4.416 . 0 0 "[ . 1 . 2]" 1
698 1 62 VAL MG2 1 65 CYS H . . 5.040 4.533 4.364 4.827 . 0 0 "[ . 1 . 2]" 1
699 1 63 PRO HA 1 66 TRP HB2 . . 4.290 3.394 2.887 3.637 . 0 0 "[ . 1 . 2]" 1
700 1 63 PRO HA 1 66 TRP HB3 . . 3.450 1.907 1.853 1.982 . 0 0 "[ . 1 . 2]" 1
701 1 63 PRO HA 1 66 TRP HD1 . . 3.960 2.584 2.284 3.189 . 0 0 "[ . 1 . 2]" 1
702 1 63 PRO HA 1 67 ALA H . . 3.950 3.162 2.599 3.785 . 0 0 "[ . 1 . 2]" 1
703 1 63 PRO HA 1 67 ALA MB . . 5.040 3.980 3.450 4.665 . 0 0 "[ . 1 . 2]" 1
704 1 63 PRO HB2 1 64 LYS QE . . 4.220 3.747 3.006 4.318 0.098 11 0 "[ . 1 . 2]" 1
705 1 63 PRO HB2 1 66 TRP HB3 . . 4.600 4.494 4.247 4.620 0.020 10 0 "[ . 1 . 2]" 1
706 1 63 PRO HD2 1 64 LYS QG . . 4.940 3.820 3.317 4.997 0.057 10 0 "[ . 1 . 2]" 1
707 1 63 PRO QG 1 64 LYS H . . 4.500 2.355 1.934 2.576 . 0 0 "[ . 1 . 2]" 1
708 1 64 LYS H 1 65 CYS H . . 4.230 2.770 2.632 2.883 . 0 0 "[ . 1 . 2]" 1
709 1 64 LYS HA 1 64 LYS QD . . 3.290 2.459 2.041 3.304 0.014 16 0 "[ . 1 . 2]" 1
710 1 64 LYS HA 1 64 LYS QE . . 3.790 2.576 1.982 3.801 0.011 10 0 "[ . 1 . 2]" 1
711 1 64 LYS HA 1 64 LYS QG . . 3.300 2.739 2.160 3.191 . 0 0 "[ . 1 . 2]" 1
712 1 64 LYS QB 1 64 LYS QE . . 4.260 3.304 1.980 3.811 . 0 0 "[ . 1 . 2]" 1
713 1 64 LYS QB 1 65 CYS H . . 4.860 2.583 2.270 3.037 . 0 0 "[ . 1 . 2]" 1
714 1 65 CYS H 1 65 CYS HB2 . . 3.830 2.297 2.156 2.565 . 0 0 "[ . 1 . 2]" 1
715 1 65 CYS H 1 65 CYS HB3 . . 3.940 3.190 2.918 3.587 . 0 0 "[ . 1 . 2]" 1
716 1 65 CYS H 1 66 TRP H . . 3.520 2.184 1.890 2.351 . 0 0 "[ . 1 . 2]" 1
717 1 65 CYS H 1 67 ALA H . . 4.630 4.264 3.803 4.572 . 0 0 "[ . 1 . 2]" 1
718 1 65 CYS HA 1 104 PRO HB2 . . 3.120 2.849 2.471 3.165 0.045 20 0 "[ . 1 . 2]" 1
719 1 65 CYS HA 1 104 PRO HB3 . . 3.570 3.569 2.835 3.780 0.210 6 0 "[ . 1 . 2]" 1
720 1 66 TRP H 1 66 TRP HB2 . . 3.460 2.845 2.751 2.922 . 0 0 "[ . 1 . 2]" 1
721 1 66 TRP H 1 66 TRP HB3 . . 3.370 2.259 2.206 2.325 . 0 0 "[ . 1 . 2]" 1
722 1 66 TRP H 1 67 ALA H . . 4.220 2.876 2.590 2.945 . 0 0 "[ . 1 . 2]" 1
723 1 66 TRP H 1 67 ALA MB . . 4.680 4.499 4.281 4.584 . 0 0 "[ . 1 . 2]" 1
724 1 66 TRP H 1 68 ALA H . . 4.940 3.760 3.437 3.848 . 0 0 "[ . 1 . 2]" 1
725 1 66 TRP HA 1 66 TRP HZ3 . . 4.590 4.592 4.390 4.720 0.130 8 0 "[ . 1 . 2]" 1
726 1 66 TRP HA 1 69 ILE MG . . 3.250 2.874 2.672 3.350 0.100 6 0 "[ . 1 . 2]" 1
727 1 66 TRP HB2 1 66 TRP HD1 . . 3.600 3.507 3.410 3.568 . 0 0 "[ . 1 . 2]" 1
728 1 66 TRP HB2 1 67 ALA H . . 4.030 3.886 3.812 3.977 . 0 0 "[ . 1 . 2]" 1
729 1 66 TRP HB3 1 66 TRP HD1 . . 3.580 2.559 2.548 2.587 . 0 0 "[ . 1 . 2]" 1
730 1 66 TRP HB3 1 67 ALA H . . 3.540 2.518 2.379 2.649 . 0 0 "[ . 1 . 2]" 1
731 1 66 TRP HB3 1 67 ALA MB . . 4.910 4.035 3.800 4.139 . 0 0 "[ . 1 . 2]" 1
732 1 66 TRP HD1 1 67 ALA H . . 4.200 3.552 3.271 3.813 . 0 0 "[ . 1 . 2]" 1
733 1 66 TRP HE1 1 70 GLN HE21 . . 4.750 2.842 2.452 3.370 . 0 0 "[ . 1 . 2]" 1
734 1 66 TRP HE1 1 70 GLN HG3 . . 4.640 4.660 4.399 4.763 0.123 8 0 "[ . 1 . 2]" 1
735 1 66 TRP HZ3 1 69 ILE MG . . 3.940 2.786 2.347 3.258 . 0 0 "[ . 1 . 2]" 1
736 1 66 TRP HZ3 1 70 GLN HA . . 4.530 4.424 3.893 4.624 0.094 11 0 "[ . 1 . 2]" 1
737 1 66 TRP HZ3 1 73 LEU QD . . 4.040 2.500 1.961 2.916 . 0 0 "[ . 1 . 2]" 1
738 1 67 ALA H 1 67 ALA MB . . 3.110 2.193 2.133 2.243 . 0 0 "[ . 1 . 2]" 1
739 1 67 ALA H 1 68 ALA H . . 3.420 2.608 2.535 2.642 . 0 0 "[ . 1 . 2]" 1
740 1 67 ALA H 1 69 ILE H . . 4.510 4.413 4.201 4.524 0.014 20 0 "[ . 1 . 2]" 1
741 1 67 ALA H 1 69 ILE MG . . 5.040 4.924 4.756 5.123 0.083 11 0 "[ . 1 . 2]" 1
742 1 67 ALA H 1 70 GLN HE21 . . 4.640 4.644 4.495 4.684 0.044 12 0 "[ . 1 . 2]" 1
743 1 67 ALA HA 1 69 ILE H . . 4.780 4.012 3.553 4.355 . 0 0 "[ . 1 . 2]" 1
744 1 67 ALA HA 1 69 ILE MG . . 4.430 4.479 4.395 4.536 0.106 7 0 "[ . 1 . 2]" 1
745 1 67 ALA MB 1 70 GLN H . . 4.380 4.427 4.063 4.571 0.191 14 0 "[ . 1 . 2]" 1
746 1 67 ALA MB 1 70 GLN QB . . 3.670 3.503 2.974 3.678 0.008 14 0 "[ . 1 . 2]" 1
747 1 67 ALA MB 1 70 GLN HE21 . . 4.750 3.409 2.987 3.627 . 0 0 "[ . 1 . 2]" 1
748 1 67 ALA MB 1 70 GLN HE22 . . 5.470 2.501 2.272 2.753 . 0 0 "[ . 1 . 2]" 1
749 1 68 ALA H 1 68 ALA MB . . 2.980 2.109 2.060 2.241 . 0 0 "[ . 1 . 2]" 1
750 1 68 ALA H 1 69 ILE H . . 3.200 2.468 2.389 2.591 . 0 0 "[ . 1 . 2]" 1
751 1 68 ALA H 1 69 ILE HB . . 4.970 4.810 4.618 4.972 0.002 6 0 "[ . 1 . 2]" 1
752 1 68 ALA H 1 69 ILE MG . . 5.150 4.033 3.910 4.132 . 0 0 "[ . 1 . 2]" 1
753 1 68 ALA HA 1 100 ILE MG . . 4.480 2.376 1.936 3.298 . 0 0 "[ . 1 . 2]" 1
754 1 68 ALA HA 1 101 THR HA . . 4.590 4.059 3.229 4.616 0.026 14 0 "[ . 1 . 2]" 1
755 1 68 ALA MB 1 69 ILE H . . 3.910 2.825 2.543 3.097 . 0 0 "[ . 1 . 2]" 1
756 1 68 ALA MB 1 69 ILE HA . . 5.210 3.904 3.821 4.113 . 0 0 "[ . 1 . 2]" 1
757 1 68 ALA MB 1 100 ILE MG . . 3.890 2.861 2.374 3.934 0.044 15 0 "[ . 1 . 2]" 1
758 1 68 ALA MB 1 101 THR HA . . 3.470 1.943 1.858 2.329 . 0 0 "[ . 1 . 2]" 1
759 1 69 ILE H 1 69 ILE HB . . 3.420 2.670 2.496 2.937 . 0 0 "[ . 1 . 2]" 1
760 1 69 ILE H 1 69 ILE MD . . 5.340 4.500 4.416 4.658 . 0 0 "[ . 1 . 2]" 1
761 1 69 ILE H 1 69 ILE MG . . 3.850 2.269 2.210 2.379 . 0 0 "[ . 1 . 2]" 1
762 1 69 ILE H 1 70 GLN H . . 3.600 2.475 2.182 2.611 . 0 0 "[ . 1 . 2]" 1
763 1 69 ILE HA 1 69 ILE HG12 . . 3.260 2.748 2.687 2.908 . 0 0 "[ . 1 . 2]" 1
764 1 69 ILE HA 1 72 PHE HB2 . . 4.440 3.476 3.293 3.600 . 0 0 "[ . 1 . 2]" 1
765 1 69 ILE HA 1 72 PHE HB3 . . 4.450 2.372 2.318 2.496 . 0 0 "[ . 1 . 2]" 1
766 1 69 ILE HA 1 72 PHE QD . . 3.970 3.547 3.470 3.735 . 0 0 "[ . 1 . 2]" 1
767 1 69 ILE HA 1 73 LEU MD2 . . 4.940 4.106 4.034 4.235 . 0 0 "[ . 1 . 2]" 1
768 1 69 ILE HA 1 100 ILE MG . . 4.880 4.013 3.084 4.505 . 0 0 "[ . 1 . 2]" 1
769 1 69 ILE HB 1 70 GLN H . . 4.360 4.383 4.332 4.433 0.073 10 0 "[ . 1 . 2]" 1
770 1 69 ILE MD 1 69 ILE MG . . 3.480 1.913 1.878 2.017 . 0 0 "[ . 1 . 2]" 1
771 1 69 ILE MD 1 72 PHE HB2 . . 5.230 5.258 4.991 5.357 0.127 8 0 "[ . 1 . 2]" 1
772 1 69 ILE MD 1 72 PHE HB3 . . 4.730 3.883 3.623 3.986 . 0 0 "[ . 1 . 2]" 1
773 1 69 ILE MD 1 72 PHE QD . . 3.360 3.125 3.038 3.395 0.035 13 0 "[ . 1 . 2]" 1
774 1 69 ILE MD 1 73 LEU MD2 . . 4.340 1.966 1.897 2.112 . 0 0 "[ . 1 . 2]" 1
775 1 69 ILE MD 1 77 PHE QD . . 4.780 4.821 4.756 4.902 0.122 13 0 "[ . 1 . 2]" 1
776 1 69 ILE MD 1 77 PHE QE . . 3.230 3.302 2.979 3.431 0.201 9 0 "[ . 1 . 2]" 1
777 1 69 ILE MD 1 77 PHE HZ . . 3.560 3.290 3.119 3.661 0.101 15 0 "[ . 1 . 2]" 1
778 1 69 ILE HG12 1 72 PHE H . . 4.020 4.040 3.955 4.131 0.111 19 0 "[ . 1 . 2]" 1
779 1 69 ILE HG12 1 72 PHE QD . . 4.850 3.333 3.131 3.651 . 0 0 "[ . 1 . 2]" 1
780 1 69 ILE MG 1 70 GLN H . . 4.240 3.230 3.039 3.358 . 0 0 "[ . 1 . 2]" 1
781 1 69 ILE MG 1 70 GLN HA . . 4.330 3.338 3.291 3.397 . 0 0 "[ . 1 . 2]" 1
782 1 69 ILE MG 1 73 LEU MD2 . . 5.040 1.800 1.782 1.839 . 0 0 "[ . 1 . 2]" 1
783 1 69 ILE MG 1 77 PHE QE . . 4.430 4.535 4.339 4.604 0.174 1 0 "[ . 1 . 2]" 1
784 1 69 ILE MG 1 77 PHE HZ . . 4.990 5.056 4.947 5.210 0.220 11 0 "[ . 1 . 2]" 1
785 1 70 GLN H 1 70 GLN QB . . 3.810 2.041 2.039 2.048 . 0 0 "[ . 1 . 2]" 1
786 1 70 GLN H 1 72 PHE H . . 4.450 3.852 3.759 4.027 . 0 0 "[ . 1 . 2]" 1
787 1 70 GLN HA 1 70 GLN HG2 . . 3.710 2.875 2.671 3.038 . 0 0 "[ . 1 . 2]" 1
788 1 70 GLN HA 1 70 GLN HG3 . . 3.440 2.171 2.072 2.334 . 0 0 "[ . 1 . 2]" 1
789 1 70 GLN HA 1 73 LEU H . . 4.250 3.766 3.713 3.896 . 0 0 "[ . 1 . 2]" 1
790 1 70 GLN HA 1 73 LEU HB2 . . 4.490 2.852 2.758 2.982 . 0 0 "[ . 1 . 2]" 1
791 1 70 GLN QB 1 71 PRO HD3 . . 4.500 1.894 1.857 1.939 . 0 0 "[ . 1 . 2]" 1
792 1 70 GLN HG2 1 71 PRO HD3 . . 4.950 4.258 4.176 4.348 . 0 0 "[ . 1 . 2]" 1
793 1 71 PRO QB 1 100 ILE HG13 . . 4.890 4.082 2.935 5.027 0.137 8 0 "[ . 1 . 2]" 1
794 1 71 PRO HD2 1 100 ILE HG13 . . 4.960 4.876 4.332 5.057 0.097 14 0 "[ . 1 . 2]" 1
795 1 71 PRO HD2 1 100 ILE MG . . 4.750 3.078 2.405 3.386 . 0 0 "[ . 1 . 2]" 1
796 1 71 PRO HD3 1 100 ILE MG . . 4.430 3.799 3.086 4.425 . 0 0 "[ . 1 . 2]" 1
797 1 71 PRO HG2 1 72 PHE H . . 4.710 2.397 2.163 2.554 . 0 0 "[ . 1 . 2]" 1
798 1 71 PRO HG2 1 100 ILE MD . . 4.370 4.362 3.825 4.508 0.138 16 0 "[ . 1 . 2]" 1
799 1 72 PHE H 1 72 PHE HB2 . . 3.910 2.632 2.460 2.699 . 0 0 "[ . 1 . 2]" 1
800 1 72 PHE H 1 72 PHE HB3 . . 3.930 2.514 2.459 2.616 . 0 0 "[ . 1 . 2]" 1
801 1 72 PHE H 1 73 LEU H . . 3.470 2.403 2.340 2.559 . 0 0 "[ . 1 . 2]" 1
802 1 72 PHE H 1 74 CYS H . . 4.210 4.306 4.270 4.346 0.136 9 0 "[ . 1 . 2]" 1
803 1 72 PHE H 1 75 ALA MB . . 5.230 5.106 4.930 5.373 0.143 19 0 "[ . 1 . 2]" 1
804 1 72 PHE HA 1 72 PHE QD . . 3.370 2.000 1.869 2.085 . 0 0 "[ . 1 . 2]" 1
805 1 72 PHE HA 1 74 CYS H . . 4.520 3.469 3.395 3.643 . 0 0 "[ . 1 . 2]" 1
806 1 72 PHE HA 1 75 ALA H . . 4.500 2.849 2.769 3.011 . 0 0 "[ . 1 . 2]" 1
807 1 72 PHE HA 1 75 ALA MB . . 3.380 2.534 2.354 2.800 . 0 0 "[ . 1 . 2]" 1
808 1 72 PHE HA 1 97 MET ME . . 3.190 2.663 2.029 3.194 0.004 5 0 "[ . 1 . 2]" 1
809 1 72 PHE HA 1 97 MET QG . . 4.690 4.291 2.760 4.742 0.052 13 0 "[ . 1 . 2]" 1
810 1 72 PHE HB2 1 75 ALA MB . . 5.070 4.333 4.176 4.616 . 0 0 "[ . 1 . 2]" 1
811 1 72 PHE HB2 1 101 THR MG . . 3.850 3.740 3.203 4.052 0.202 17 0 "[ . 1 . 2]" 1
812 1 72 PHE HB3 1 73 LEU H . . 4.150 3.125 2.986 3.243 . 0 0 "[ . 1 . 2]" 1
813 1 72 PHE HB3 1 97 MET QB . . 4.800 4.844 4.796 4.935 0.135 15 0 "[ . 1 . 2]" 1
814 1 72 PHE QD 1 75 ALA H . . 4.800 3.333 3.186 3.423 . 0 0 "[ . 1 . 2]" 1
815 1 72 PHE QD 1 76 VAL H . . 4.980 4.021 3.740 4.503 . 0 0 "[ . 1 . 2]" 1
816 1 72 PHE QD 1 76 VAL MG1 . . 4.270 3.959 3.665 4.470 0.200 15 0 "[ . 1 . 2]" 1
817 1 72 PHE QD 1 76 VAL QG . . 3.030 2.912 2.507 3.146 0.116 17 0 "[ . 1 . 2]" 1
818 1 72 PHE QD 1 76 VAL MG2 . . 3.370 3.070 2.522 3.403 0.033 7 0 "[ . 1 . 2]" 1
819 1 72 PHE QD 1 93 PRO HB2 . . 4.100 4.178 3.961 4.360 0.260 13 0 "[ . 1 . 2]" 1
820 1 72 PHE QD 1 93 PRO HB3 . . 4.100 3.328 3.054 4.152 0.052 13 0 "[ . 1 . 2]" 1
821 1 72 PHE QD 1 97 MET QB . . 4.810 2.740 1.985 3.084 . 0 0 "[ . 1 . 2]" 1
822 1 72 PHE QD 1 97 MET ME . . 3.170 2.955 2.510 3.248 0.078 6 0 "[ . 1 . 2]" 1
823 1 72 PHE QD 1 97 MET QG . . 3.910 3.803 1.970 3.951 0.041 17 0 "[ . 1 . 2]" 1
824 1 72 PHE QD 1 101 THR MG . . 3.360 2.880 2.133 3.400 0.040 7 0 "[ . 1 . 2]" 1
825 1 72 PHE QE 1 75 ALA HA . . 4.450 4.501 4.377 4.542 0.092 15 0 "[ . 1 . 2]" 1
826 1 72 PHE QE 1 75 ALA MB . . 2.830 2.489 1.944 2.796 . 0 0 "[ . 1 . 2]" 1
827 1 72 PHE QE 1 76 VAL MG1 . . 4.170 3.989 3.856 4.132 . 0 0 "[ . 1 . 2]" 1
828 1 72 PHE QE 1 76 VAL QG . . 3.060 2.369 2.236 2.571 . 0 0 "[ . 1 . 2]" 1
829 1 72 PHE QE 1 120 CYS QB . . 4.480 2.350 1.937 3.507 . 0 0 "[ . 1 . 2]" 1
830 1 72 PHE HZ 1 76 VAL MG1 . . 4.640 4.596 4.298 4.701 0.061 6 0 "[ . 1 . 2]" 1
831 1 72 PHE HZ 1 76 VAL QG . . 3.200 2.765 2.504 3.148 . 0 0 "[ . 1 . 2]" 1
832 1 72 PHE HZ 1 76 VAL MG2 . . 4.170 2.794 2.514 3.217 . 0 0 "[ . 1 . 2]" 1
833 1 72 PHE HZ 1 93 PRO HB2 . . 4.910 4.023 2.592 4.252 . 0 0 "[ . 1 . 2]" 1
834 1 72 PHE HZ 1 93 PRO QB . . 4.310 3.508 2.442 3.657 . 0 0 "[ . 1 . 2]" 1
835 1 72 PHE HZ 1 93 PRO QD . . 4.400 4.221 3.838 4.532 0.132 13 0 "[ . 1 . 2]" 1
836 1 72 PHE HZ 1 93 PRO HD3 . . 4.830 4.547 4.162 4.919 0.089 13 0 "[ . 1 . 2]" 1
837 1 72 PHE HZ 1 93 PRO HG2 . . 5.170 3.687 3.222 4.142 . 0 0 "[ . 1 . 2]" 1
838 1 72 PHE HZ 1 93 PRO QG . . 4.030 2.455 2.042 2.749 . 0 0 "[ . 1 . 2]" 1
839 1 72 PHE HZ 1 120 CYS HA . . 3.370 3.381 3.108 3.468 0.098 9 0 "[ . 1 . 2]" 1
840 1 72 PHE HZ 1 120 CYS HB3 . . 4.820 3.779 2.020 4.866 0.046 9 0 "[ . 1 . 2]" 1
841 1 73 LEU H 1 73 LEU MD1 . . 4.500 4.314 4.255 4.369 . 0 0 "[ . 1 . 2]" 1
842 1 73 LEU H 1 73 LEU MD2 . . 4.430 3.081 2.983 3.164 . 0 0 "[ . 1 . 2]" 1
843 1 73 LEU H 1 74 CYS H . . 3.790 2.755 2.698 2.831 . 0 0 "[ . 1 . 2]" 1
844 1 73 LEU HA 1 73 LEU MD1 . . 4.790 2.506 2.364 2.700 . 0 0 "[ . 1 . 2]" 1
845 1 73 LEU HA 1 73 LEU MD2 . . 3.170 1.950 1.864 1.991 . 0 0 "[ . 1 . 2]" 1
846 1 73 LEU HA 1 75 ALA H . . 4.560 4.674 4.632 4.783 0.223 9 0 "[ . 1 . 2]" 1
847 1 73 LEU HA 1 77 PHE HB2 . . 5.410 5.335 5.057 5.679 0.269 15 0 "[ . 1 . 2]" 1
848 1 73 LEU HA 1 77 PHE QD . . 4.480 3.686 3.224 4.034 . 0 0 "[ . 1 . 2]" 1
849 1 73 LEU HA 1 77 PHE HZ . . 4.950 4.919 4.808 5.106 0.156 10 0 "[ . 1 . 2]" 1
850 1 73 LEU HA 1 78 LYS H . . 5.670 5.716 5.578 5.813 0.143 2 0 "[ . 1 . 2]" 1
851 1 73 LEU HB2 1 74 CYS H . . 3.640 3.593 3.465 3.665 0.025 2 0 "[ . 1 . 2]" 1
852 1 73 LEU QD 1 77 PHE HZ . . 3.010 3.095 3.026 3.130 0.120 10 0 "[ . 1 . 2]" 1
853 1 73 LEU MD1 1 77 PHE HB2 . . 4.520 3.746 3.586 3.841 . 0 0 "[ . 1 . 2]" 1
854 1 73 LEU MD1 1 77 PHE HZ . . 4.130 3.882 3.564 3.992 . 0 0 "[ . 1 . 2]" 1
855 1 73 LEU MD2 1 74 CYS H . . 4.990 4.607 4.586 4.645 . 0 0 "[ . 1 . 2]" 1
856 1 73 LEU MD2 1 77 PHE HZ . . 3.540 3.261 3.171 3.436 . 0 0 "[ . 1 . 2]" 1
857 1 73 LEU HG 1 74 CYS H . . 5.400 5.447 5.306 5.508 0.108 8 0 "[ . 1 . 2]" 1
858 1 74 CYS H 1 74 CYS HB2 . . 3.820 2.696 2.396 2.895 . 0 0 "[ . 1 . 2]" 1
859 1 74 CYS H 1 74 CYS HB3 . . 3.700 3.650 3.602 3.687 . 0 0 "[ . 1 . 2]" 1
860 1 74 CYS H 1 75 ALA H . . 3.940 2.303 2.191 2.549 . 0 0 "[ . 1 . 2]" 1
861 1 74 CYS HA 1 78 LYS H . . 4.010 3.117 2.923 3.403 . 0 0 "[ . 1 . 2]" 1
862 1 74 CYS HA 1 78 LYS QB . . 3.280 2.760 2.431 3.002 . 0 0 "[ . 1 . 2]" 1
863 1 74 CYS HB2 1 75 ALA H . . 4.540 2.635 2.420 2.761 . 0 0 "[ . 1 . 2]" 1
864 1 74 CYS HB2 1 97 MET ME . . 4.630 4.003 3.161 4.627 . 0 0 "[ . 1 . 2]" 1
865 1 74 CYS HB3 1 75 ALA H . . 4.270 3.858 3.537 4.045 . 0 0 "[ . 1 . 2]" 1
866 1 75 ALA H 1 75 ALA MB . . 3.330 2.149 2.096 2.192 . 0 0 "[ . 1 . 2]" 1
867 1 75 ALA H 1 76 VAL H . . 3.830 2.592 2.538 2.728 . 0 0 "[ . 1 . 2]" 1
868 1 75 ALA H 1 76 VAL MG2 . . 5.480 4.977 3.640 5.668 0.188 12 0 "[ . 1 . 2]" 1
869 1 75 ALA H 1 77 PHE H . . 4.690 4.463 4.303 4.748 0.058 19 0 "[ . 1 . 2]" 1
870 1 75 ALA H 1 97 MET ME . . 5.200 3.200 2.655 3.763 . 0 0 "[ . 1 . 2]" 1
871 1 75 ALA HA 1 97 MET ME . . 3.960 3.952 3.889 3.977 0.017 12 0 "[ . 1 . 2]" 1
872 1 75 ALA MB 1 97 MET ME . . 3.060 1.801 1.747 1.984 . 0 0 "[ . 1 . 2]" 1
873 1 75 ALA MB 1 97 MET QG . . 4.910 3.191 2.276 3.906 . 0 0 "[ . 1 . 2]" 1
874 1 76 VAL H 1 76 VAL HB . . 3.970 2.736 2.434 2.890 . 0 0 "[ . 1 . 2]" 1
875 1 76 VAL H 1 76 VAL MG2 . . 3.920 3.480 2.691 3.866 . 0 0 "[ . 1 . 2]" 1
876 1 76 VAL H 1 77 PHE H . . 3.410 2.128 2.044 2.295 . 0 0 "[ . 1 . 2]" 1
877 1 76 VAL H 1 77 PHE HB2 . . 4.950 4.677 4.514 4.967 0.017 14 0 "[ . 1 . 2]" 1
878 1 76 VAL H 1 78 LYS H . . 4.350 3.138 2.866 3.409 . 0 0 "[ . 1 . 2]" 1
879 1 76 VAL HA 1 76 VAL MG2 . . 3.370 2.226 2.159 2.370 . 0 0 "[ . 1 . 2]" 1
880 1 76 VAL HA 1 77 PHE QD . . 4.870 4.957 4.878 5.164 0.294 10 0 "[ . 1 . 2]" 1
881 1 76 VAL HB 1 77 PHE H . . 3.840 3.377 2.346 3.900 0.060 20 0 "[ . 1 . 2]" 1
882 1 76 VAL HB 1 77 PHE QD . . 4.980 4.371 2.546 5.117 0.137 3 0 "[ . 1 . 2]" 1
883 1 76 VAL QG 1 77 PHE QD . . 3.610 2.629 2.528 3.036 . 0 0 "[ . 1 . 2]" 1
884 1 76 VAL QG 1 77 PHE HZ . . 3.700 2.966 2.827 3.060 . 0 0 "[ . 1 . 2]" 1
885 1 76 VAL MG1 1 77 PHE H . . 5.140 2.328 1.877 3.331 . 0 0 "[ . 1 . 2]" 1
886 1 76 VAL MG1 1 77 PHE QD . . 3.880 2.730 2.622 3.082 . 0 0 "[ . 1 . 2]" 1
887 1 76 VAL MG1 1 77 PHE HZ . . 4.780 3.097 2.851 3.238 . 0 0 "[ . 1 . 2]" 1
888 1 76 VAL MG2 1 77 PHE H . . 4.550 3.797 3.742 3.898 . 0 0 "[ . 1 . 2]" 1
889 1 76 VAL MG2 1 77 PHE QD . . 4.440 3.577 3.110 4.673 0.233 9 0 "[ . 1 . 2]" 1
890 1 76 VAL MG2 1 77 PHE HZ . . 4.780 4.039 3.547 4.841 0.061 10 0 "[ . 1 . 2]" 1
891 1 76 VAL MG2 1 118 LEU HA . . 5.050 4.248 3.457 5.062 0.012 1 0 "[ . 1 . 2]" 1
892 1 76 VAL MG2 1 119 ARG QB . . 4.300 3.266 2.089 4.330 0.030 19 0 "[ . 1 . 2]" 1
893 1 77 PHE H 1 77 PHE HB2 . . 3.750 2.691 2.636 2.776 . 0 0 "[ . 1 . 2]" 1
894 1 77 PHE H 1 78 LYS H . . 3.610 1.998 1.964 2.108 . 0 0 "[ . 1 . 2]" 1
895 1 77 PHE H 1 78 LYS QG . . 5.100 4.390 3.251 5.113 0.013 12 0 "[ . 1 . 2]" 1
896 1 77 PHE HA 1 77 PHE QD . . 4.320 2.434 2.152 3.130 . 0 0 "[ . 1 . 2]" 1
897 1 77 PHE HB2 1 78 LYS H . . 3.970 2.857 2.508 3.225 . 0 0 "[ . 1 . 2]" 1
898 1 77 PHE HB2 1 78 LYS HA . . 4.340 4.472 4.412 4.498 0.158 10 0 "[ . 1 . 2]" 1
899 1 77 PHE HB2 1 78 LYS QG . . 4.580 3.291 2.617 3.807 . 0 0 "[ . 1 . 2]" 1
900 1 77 PHE HB3 1 78 LYS H . . 4.430 3.983 3.699 4.261 . 0 0 "[ . 1 . 2]" 1
901 1 77 PHE HB3 1 78 LYS QG . . 4.020 4.082 3.917 4.207 0.187 13 0 "[ . 1 . 2]" 1
902 1 77 PHE QD 1 78 LYS H . . 5.160 4.140 3.622 4.361 . 0 0 "[ . 1 . 2]" 1
903 1 78 LYS H 1 78 LYS QB . . 3.770 2.588 2.429 2.775 . 0 0 "[ . 1 . 2]" 1
904 1 78 LYS H 1 78 LYS QG . . 4.340 3.020 2.245 3.465 . 0 0 "[ . 1 . 2]" 1
905 1 78 LYS H 1 79 PRO HD2 . . 4.980 4.087 3.854 4.236 . 0 0 "[ . 1 . 2]" 1
906 1 78 LYS HA 1 78 LYS HD3 . . 4.640 3.800 2.212 4.743 0.103 12 0 "[ . 1 . 2]" 1
907 1 78 LYS HA 1 78 LYS QG . . 3.970 2.616 2.246 3.189 . 0 0 "[ . 1 . 2]" 1
908 1 78 LYS HA 1 79 PRO HD2 . . 3.700 2.068 2.006 2.165 . 0 0 "[ . 1 . 2]" 1
909 1 78 LYS HA 1 79 PRO HD3 . . 4.060 2.896 2.796 3.031 . 0 0 "[ . 1 . 2]" 1
910 1 78 LYS HE3 1 78 LYS QG . . 3.750 2.886 2.219 3.302 . 0 0 "[ . 1 . 2]" 1
911 1 79 PRO HA 1 80 LYS H . . 3.450 2.243 2.152 2.469 . 0 0 "[ . 1 . 2]" 1
912 1 79 PRO HA 1 80 LYS HB3 . . 4.640 4.646 4.490 4.706 0.066 18 0 "[ . 1 . 2]" 1
913 1 80 LYS H 1 80 LYS HB3 . . 3.670 2.455 2.247 2.589 . 0 0 "[ . 1 . 2]" 1
914 1 80 LYS H 1 80 LYS QG . . 4.530 3.957 3.849 3.984 . 0 0 "[ . 1 . 2]" 1
915 1 80 LYS H 1 81 CYS H . . 4.240 4.250 3.864 4.384 0.144 12 0 "[ . 1 . 2]" 1
916 1 80 LYS H 1 91 TYR HB3 . . 4.030 4.099 4.009 4.173 0.143 11 0 "[ . 1 . 2]" 1
917 1 80 LYS HA 1 80 LYS HD2 . . 5.500 3.925 2.171 4.202 . 0 0 "[ . 1 . 2]" 1
918 1 80 LYS HA 1 80 LYS HD3 . . 4.450 4.373 3.762 4.534 0.084 14 0 "[ . 1 . 2]" 1
919 1 80 LYS HA 1 80 LYS HE2 . . 5.480 5.461 4.775 5.712 0.232 14 0 "[ . 1 . 2]" 1
920 1 80 LYS HA 1 80 LYS HE3 . . 5.310 5.150 3.648 5.316 0.006 4 0 "[ . 1 . 2]" 1
921 1 80 LYS HA 1 80 LYS QG . . 3.970 2.459 2.379 3.148 . 0 0 "[ . 1 . 2]" 1
922 1 80 LYS HA 1 81 CYS H . . 3.220 2.196 2.142 2.390 . 0 0 "[ . 1 . 2]" 1
923 1 80 LYS HA 1 81 CYS HA . . 4.620 4.421 4.393 4.521 . 0 0 "[ . 1 . 2]" 1
924 1 80 LYS HB2 1 81 CYS H . . 4.870 4.457 4.267 4.622 . 0 0 "[ . 1 . 2]" 1
925 1 80 LYS HB2 1 91 TYR QD . . 4.590 4.225 3.986 4.592 0.002 10 0 "[ . 1 . 2]" 1
926 1 80 LYS HB3 1 80 LYS HE3 . . 4.710 4.605 4.423 4.682 . 0 0 "[ . 1 . 2]" 1
927 1 80 LYS HD3 1 91 TYR QE . . 4.950 4.861 4.535 5.134 0.184 10 0 "[ . 1 . 2]" 1
928 1 80 LYS HE2 1 80 LYS QG . . 3.460 2.325 2.222 2.811 . 0 0 "[ . 1 . 2]" 1
929 1 80 LYS HE2 1 91 TYR QE . . 4.030 2.994 2.489 4.045 0.015 15 0 "[ . 1 . 2]" 1
930 1 80 LYS HE3 1 80 LYS QG . . 3.610 2.452 2.127 2.536 . 0 0 "[ . 1 . 2]" 1
931 1 80 LYS HE3 1 91 TYR QE . . 4.030 4.008 3.864 4.117 0.087 14 0 "[ . 1 . 2]" 1
932 1 80 LYS QG 1 81 CYS H . . 4.200 3.357 2.893 3.863 . 0 0 "[ . 1 . 2]" 1
933 1 80 LYS QG 1 82 GLU HG2 . . 4.630 3.059 2.291 4.078 . 0 0 "[ . 1 . 2]" 1
934 1 80 LYS QG 1 91 TYR QE . . 4.160 3.319 3.057 3.539 . 0 0 "[ . 1 . 2]" 1
935 1 81 CYS H 1 82 GLU H . . 4.620 4.335 4.162 4.534 . 0 0 "[ . 1 . 2]" 1
936 1 81 CYS HA 1 82 GLU H . . 3.070 2.161 2.140 2.217 . 0 0 "[ . 1 . 2]" 1
937 1 81 CYS HA 1 90 VAL HA . . 3.210 2.237 2.106 2.521 . 0 0 "[ . 1 . 2]" 1
938 1 81 CYS HA 1 90 VAL HB . . 4.070 4.038 3.813 4.145 0.075 15 0 "[ . 1 . 2]" 1
939 1 81 CYS HA 1 90 VAL MG1 . . 4.290 3.340 2.696 3.670 . 0 0 "[ . 1 . 2]" 1
940 1 81 CYS HA 1 90 VAL QG . . 3.680 3.289 2.682 3.595 . 0 0 "[ . 1 . 2]" 1
941 1 81 CYS HA 1 90 VAL MG2 . . 5.130 4.959 4.815 5.139 0.009 3 0 "[ . 1 . 2]" 1
942 1 81 CYS HA 1 91 TYR H . . 4.920 3.265 3.071 3.430 . 0 0 "[ . 1 . 2]" 1
943 1 81 CYS HA 1 91 TYR QD . . 4.370 3.921 3.474 4.371 0.001 18 0 "[ . 1 . 2]" 1
944 1 81 CYS HB2 1 82 GLU H . . 4.580 4.295 3.664 4.550 . 0 0 "[ . 1 . 2]" 1
945 1 81 CYS HB2 1 90 VAL HA . . 4.750 3.570 3.126 4.791 0.041 3 0 "[ . 1 . 2]" 1
946 1 81 CYS HB2 1 90 VAL MG1 . . 4.780 2.824 2.230 4.601 . 0 0 "[ . 1 . 2]" 1
947 1 81 CYS HB3 1 90 VAL HA . . 4.810 4.763 4.500 5.000 0.190 3 0 "[ . 1 . 2]" 1
948 1 82 GLU H 1 82 GLU HB3 . . 4.030 3.382 2.914 3.862 . 0 0 "[ . 1 . 2]" 1
949 1 82 GLU H 1 89 MET H . . 3.820 3.745 3.341 3.863 0.043 12 0 "[ . 1 . 2]" 1
950 1 82 GLU H 1 90 VAL HA . . 4.210 3.355 3.114 3.505 . 0 0 "[ . 1 . 2]" 1
951 1 82 GLU HA 1 82 GLU HG2 . . 3.860 3.647 2.964 3.967 0.107 7 0 "[ . 1 . 2]" 1
952 1 82 GLU HA 1 83 LYS H . . 3.030 2.489 2.337 2.575 . 0 0 "[ . 1 . 2]" 1
953 1 82 GLU QB 1 91 TYR QE . . 3.830 3.366 2.609 3.871 0.041 10 0 "[ . 1 . 2]" 1
954 1 82 GLU HB2 1 83 LYS H . . 3.860 2.668 2.124 3.872 0.012 20 0 "[ . 1 . 2]" 1
955 1 82 GLU HB2 1 91 TYR QE . . 4.370 3.954 2.635 4.553 0.183 14 0 "[ . 1 . 2]" 1
956 1 82 GLU HB3 1 91 TYR QE . . 4.190 3.987 3.536 4.237 0.047 4 0 "[ . 1 . 2]" 1
957 1 82 GLU QG 1 91 TYR QE . . 3.610 2.412 1.959 3.542 . 0 0 "[ . 1 . 2]" 1
958 1 82 GLU HG2 1 91 TYR QE . . 3.850 2.561 1.979 3.885 0.035 15 0 "[ . 1 . 2]" 1
959 1 82 GLU HG3 1 91 TYR QE . . 4.120 3.335 2.699 4.122 0.002 12 0 "[ . 1 . 2]" 1
960 1 83 LYS H 1 83 LYS HB2 . . 3.570 2.279 2.205 2.294 . 0 0 "[ . 1 . 2]" 1
961 1 83 LYS H 1 83 LYS HE2 . . 4.610 4.250 3.995 4.553 . 0 0 "[ . 1 . 2]" 1
962 1 83 LYS HA 1 83 LYS QD . . 4.420 3.967 3.942 3.978 . 0 0 "[ . 1 . 2]" 1
963 1 83 LYS HA 1 83 LYS HG2 . . 3.780 2.372 2.328 2.396 . 0 0 "[ . 1 . 2]" 1
964 1 83 LYS HA 1 83 LYS HG3 . . 3.880 2.645 2.611 2.702 . 0 0 "[ . 1 . 2]" 1
965 1 83 LYS HA 1 84 ILE H . . 3.180 2.159 2.144 2.173 . 0 0 "[ . 1 . 2]" 1
966 1 83 LYS HA 1 84 ILE MD . . 4.720 3.657 3.124 4.755 0.035 4 0 "[ . 1 . 2]" 1
967 1 83 LYS HA 1 88 ASP HA . . 2.970 2.354 2.195 2.549 . 0 0 "[ . 1 . 2]" 1
968 1 83 LYS HB2 1 88 ASP HA . . 4.170 4.175 4.094 4.233 0.063 3 0 "[ . 1 . 2]" 1
969 1 83 LYS HB3 1 83 LYS HE2 . . 4.210 3.319 2.735 3.683 . 0 0 "[ . 1 . 2]" 1
970 1 83 LYS HB3 1 84 ILE H . . 4.050 3.895 3.783 3.969 . 0 0 "[ . 1 . 2]" 1
971 1 83 LYS HB3 1 86 GLY HA3 . . 4.640 4.679 4.653 4.706 0.066 4 0 "[ . 1 . 2]" 1
972 1 83 LYS HB3 1 88 ASP HA . . 5.500 4.447 4.339 4.513 . 0 0 "[ . 1 . 2]" 1
973 1 83 LYS QD 1 83 LYS HE2 . . 2.720 2.462 2.305 2.529 . 0 0 "[ . 1 . 2]" 1
974 1 83 LYS QD 1 86 GLY H . . 4.420 4.144 4.071 4.234 . 0 0 "[ . 1 . 2]" 1
975 1 83 LYS QD 1 86 GLY HA2 . . 4.510 2.551 2.496 2.631 . 0 0 "[ . 1 . 2]" 1
976 1 83 LYS QD 1 86 GLY HA3 . . 3.970 3.983 3.965 3.997 0.027 8 0 "[ . 1 . 2]" 1
977 1 83 LYS QD 1 88 ASP H . . 5.100 3.649 3.543 3.754 . 0 0 "[ . 1 . 2]" 1
978 1 83 LYS QD 1 88 ASP HA . . 4.590 3.973 3.600 4.242 . 0 0 "[ . 1 . 2]" 1
979 1 83 LYS HE2 1 83 LYS HG2 . . 4.140 3.588 3.521 3.763 . 0 0 "[ . 1 . 2]" 1
980 1 83 LYS HG2 1 86 GLY H . . 4.640 4.314 4.171 4.609 . 0 0 "[ . 1 . 2]" 1
981 1 83 LYS HG2 1 88 ASP HA . . 3.940 2.582 2.164 2.829 . 0 0 "[ . 1 . 2]" 1
982 1 83 LYS HG3 1 84 ILE H . . 4.680 4.696 4.680 4.714 0.034 8 0 "[ . 1 . 2]" 1
983 1 84 ILE H 1 84 ILE HB . . 3.750 2.456 2.382 2.588 . 0 0 "[ . 1 . 2]" 1
984 1 84 ILE H 1 87 GLU H . . 3.650 3.071 2.901 3.321 . 0 0 "[ . 1 . 2]" 1
985 1 84 ILE H 1 88 ASP HA . . 4.240 3.924 3.739 4.030 . 0 0 "[ . 1 . 2]" 1
986 1 84 ILE H 1 89 MET H . . 3.820 3.284 2.987 3.509 . 0 0 "[ . 1 . 2]" 1
987 1 84 ILE H 1 89 MET HB2 . . 4.450 3.643 3.149 3.994 . 0 0 "[ . 1 . 2]" 1
988 1 84 ILE HA 1 84 ILE MD . . 3.880 3.428 3.133 3.923 0.043 8 0 "[ . 1 . 2]" 1
989 1 84 ILE HA 1 84 ILE HG12 . . 3.650 3.297 2.801 3.547 . 0 0 "[ . 1 . 2]" 1
990 1 84 ILE HA 1 84 ILE HG13 . . 3.640 2.409 2.208 2.852 . 0 0 "[ . 1 . 2]" 1
991 1 84 ILE HA 1 84 ILE MG . . 3.230 2.415 2.344 2.472 . 0 0 "[ . 1 . 2]" 1
992 1 84 ILE HA 1 89 MET ME . . 4.830 4.686 4.383 4.874 0.044 16 0 "[ . 1 . 2]" 1
993 1 84 ILE HA 1 89 MET HG3 . . 4.880 4.835 4.622 4.928 0.048 18 0 "[ . 1 . 2]" 1
994 1 84 ILE HB 1 89 MET ME . . 2.720 2.134 1.948 2.475 . 0 0 "[ . 1 . 2]" 1
995 1 84 ILE HB 1 89 MET HG3 . . 4.590 2.338 1.997 2.507 . 0 0 "[ . 1 . 2]" 1
996 1 84 ILE MD 1 89 MET H . . 4.980 3.350 2.830 4.158 . 0 0 "[ . 1 . 2]" 1
997 1 84 ILE MD 1 89 MET HB2 . . 4.800 1.922 1.879 1.965 . 0 0 "[ . 1 . 2]" 1
998 1 84 ILE MD 1 89 MET HB3 . . 4.780 2.963 2.500 3.270 . 0 0 "[ . 1 . 2]" 1
999 1 84 ILE MD 1 89 MET HG2 . . 4.790 3.463 3.303 3.707 . 0 0 "[ . 1 . 2]" 1
1000 1 84 ILE MD 1 89 MET HG3 . . 4.490 2.074 1.925 2.427 . 0 0 "[ . 1 . 2]" 1
1001 1 84 ILE MD 1 90 VAL HA . . 5.050 4.967 4.744 5.114 0.064 3 0 "[ . 1 . 2]" 1
1002 1 84 ILE MD 1 91 TYR QE . . 3.830 3.105 2.372 3.688 . 0 0 "[ . 1 . 2]" 1
1003 1 84 ILE MG 1 85 ASN HA . . 4.480 4.059 3.890 4.137 . 0 0 "[ . 1 . 2]" 1
1004 1 84 ILE MG 1 85 ASN HB2 . . 4.510 2.757 2.540 3.785 . 0 0 "[ . 1 . 2]" 1
1005 1 84 ILE MG 1 85 ASN HB3 . . 3.910 3.191 3.054 4.092 0.182 4 0 "[ . 1 . 2]" 1
1006 1 84 ILE MG 1 85 ASN HD21 . . 4.960 4.749 2.862 4.967 0.007 5 0 "[ . 1 . 2]" 1
1007 1 84 ILE MG 1 86 GLY H . . 4.850 4.475 4.386 4.511 . 0 0 "[ . 1 . 2]" 1
1008 1 84 ILE MG 1 89 MET ME . . 4.920 2.608 2.362 2.786 . 0 0 "[ . 1 . 2]" 1
1009 1 85 ASN H 1 86 GLY H . . 4.170 2.651 2.610 2.732 . 0 0 "[ . 1 . 2]" 1
1010 1 85 ASN HB3 1 85 ASN HD21 . . 3.500 2.268 2.142 3.257 . 0 0 "[ . 1 . 2]" 1
1011 1 85 ASN HD21 1 86 GLY H . . 5.120 5.130 5.121 5.150 0.030 8 0 "[ . 1 . 2]" 1
1012 1 85 ASN HD21 1 87 GLU HG2 . . 5.070 4.834 4.626 5.124 0.054 8 0 "[ . 1 . 2]" 1
1013 1 86 GLY H 1 87 GLU H . . 3.440 2.275 2.219 2.389 . 0 0 "[ . 1 . 2]" 1
1014 1 86 GLY HA2 1 87 GLU HG3 . . 4.710 4.745 4.718 4.779 0.069 3 0 "[ . 1 . 2]" 1
1015 1 87 GLU H 1 87 GLU QB . . 3.200 2.622 2.565 2.655 . 0 0 "[ . 1 . 2]" 1
1016 1 87 GLU H 1 87 GLU HG2 . . 3.960 3.947 3.730 3.979 0.019 10 0 "[ . 1 . 2]" 1
1017 1 87 GLU H 1 88 ASP H . . 4.650 4.246 4.164 4.378 . 0 0 "[ . 1 . 2]" 1
1018 1 87 GLU HA 1 87 GLU QB . . 2.770 2.342 2.301 2.350 . 0 0 "[ . 1 . 2]" 1
1019 1 87 GLU HA 1 87 GLU HG2 . . 3.510 2.641 2.585 2.734 . 0 0 "[ . 1 . 2]" 1
1020 1 87 GLU HA 1 87 GLU HG3 . . 3.320 3.090 2.977 3.169 . 0 0 "[ . 1 . 2]" 1
1021 1 87 GLU HA 1 88 ASP H . . 2.930 2.140 2.138 2.149 . 0 0 "[ . 1 . 2]" 1
1022 1 87 GLU QB 1 88 ASP H . . 3.440 3.341 3.181 3.417 . 0 0 "[ . 1 . 2]" 1
1023 1 87 GLU HG2 1 88 ASP H . . 4.550 4.592 4.559 4.655 0.105 8 0 "[ . 1 . 2]" 1
1024 1 88 ASP H 1 88 ASP HB2 . . 3.430 2.549 2.153 3.564 0.134 6 0 "[ . 1 . 2]" 1
1025 1 88 ASP H 1 88 ASP HB3 . . 3.550 3.526 2.774 3.593 0.043 11 0 "[ . 1 . 2]" 1
1026 1 88 ASP HA 1 89 MET H . . 3.040 2.168 2.142 2.189 . 0 0 "[ . 1 . 2]" 1
1027 1 89 MET H 1 89 MET HG2 . . 4.740 3.023 2.912 3.248 . 0 0 "[ . 1 . 2]" 1
1028 1 89 MET HA 1 89 MET HG2 . . 3.890 2.597 2.466 2.674 . 0 0 "[ . 1 . 2]" 1
1029 1 89 MET HA 1 90 VAL H . . 3.320 2.481 2.395 2.592 . 0 0 "[ . 1 . 2]" 1
1030 1 89 MET HA 1 90 VAL MG2 . . 4.430 3.972 3.554 4.165 . 0 0 "[ . 1 . 2]" 1
1031 1 89 MET HB3 1 89 MET ME . . 3.170 2.932 2.587 3.139 . 0 0 "[ . 1 . 2]" 1
1032 1 89 MET HB3 1 90 VAL H . . 3.960 2.349 2.137 2.550 . 0 0 "[ . 1 . 2]" 1
1033 1 89 MET HB3 1 90 VAL HA . . 4.870 4.646 4.372 4.839 . 0 0 "[ . 1 . 2]" 1
1034 1 89 MET HB3 1 90 VAL MG2 . . 4.930 4.109 3.833 4.342 . 0 0 "[ . 1 . 2]" 1
1035 1 89 MET ME 1 89 MET HG2 . . 3.500 3.305 3.216 3.373 . 0 0 "[ . 1 . 2]" 1
1036 1 89 MET HG2 1 90 VAL H . . 4.990 4.506 4.356 4.602 . 0 0 "[ . 1 . 2]" 1
1037 1 90 VAL H 1 90 VAL MG2 . . 3.820 2.208 2.081 2.425 . 0 0 "[ . 1 . 2]" 1
1038 1 90 VAL HA 1 90 VAL MG1 . . 3.480 2.415 2.092 2.484 . 0 0 "[ . 1 . 2]" 1
1039 1 90 VAL HA 1 91 TYR H . . 3.570 2.306 2.225 2.410 . 0 0 "[ . 1 . 2]" 1
1040 1 90 VAL HB 1 91 TYR H . . 4.880 2.653 2.368 2.896 . 0 0 "[ . 1 . 2]" 1
1041 1 90 VAL MG1 1 91 TYR H . . 4.080 3.820 3.436 3.991 . 0 0 "[ . 1 . 2]" 1
1042 1 90 VAL MG2 1 91 TYR H . . 4.760 3.529 3.242 3.678 . 0 0 "[ . 1 . 2]" 1
1043 1 90 VAL MG2 1 91 TYR HA . . 4.630 3.892 3.717 4.222 . 0 0 "[ . 1 . 2]" 1
1044 1 91 TYR H 1 91 TYR HB2 . . 4.010 2.382 2.340 2.422 . 0 0 "[ . 1 . 2]" 1
1045 1 91 TYR H 1 91 TYR HB3 . . 4.060 3.588 3.524 3.624 . 0 0 "[ . 1 . 2]" 1
1046 1 91 TYR H 1 91 TYR QD . . 3.950 3.479 2.966 3.883 . 0 0 "[ . 1 . 2]" 1
1047 1 91 TYR HA 1 91 TYR QD . . 3.990 2.472 2.035 2.962 . 0 0 "[ . 1 . 2]" 1
1048 1 91 TYR HA 1 92 LEU QB . . 4.420 4.424 4.187 4.614 0.194 15 0 "[ . 1 . 2]" 1
1049 1 91 TYR HA 1 92 LEU MD1 . . 4.410 3.463 2.543 4.079 . 0 0 "[ . 1 . 2]" 1
1050 1 91 TYR HB3 1 92 LEU H . . 4.760 3.349 2.910 3.934 . 0 0 "[ . 1 . 2]" 1
1051 1 91 TYR QD 1 92 LEU MD1 . . 4.650 4.187 3.263 4.703 0.053 18 0 "[ . 1 . 2]" 1
1052 1 92 LEU H 1 92 LEU QB . . 3.300 2.703 2.245 3.083 . 0 0 "[ . 1 . 2]" 1
1053 1 92 LEU H 1 92 LEU MD1 . . 3.710 2.158 1.774 2.949 . 0 0 "[ . 1 . 2]" 1
1054 1 92 LEU HA 1 93 PRO HD2 . . 4.070 2.471 2.387 2.532 . 0 0 "[ . 1 . 2]" 1
1055 1 92 LEU QB 1 92 LEU MD1 . . 2.840 2.168 1.921 2.374 . 0 0 "[ . 1 . 2]" 1
1056 1 92 LEU QB 1 92 LEU MD2 . . 2.770 2.067 1.916 2.383 . 0 0 "[ . 1 . 2]" 1
1057 1 93 PRO HA 1 94 SER H . . 3.250 2.233 2.151 2.494 . 0 0 "[ . 1 . 2]" 1
1058 1 93 PRO HB2 1 94 SER H . . 4.440 3.170 2.387 3.641 . 0 0 "[ . 1 . 2]" 1
1059 1 94 SER H 1 94 SER HB3 . . 3.960 3.601 3.386 3.728 . 0 0 "[ . 1 . 2]" 1
1060 1 94 SER H 1 97 MET QG . . 5.200 3.177 2.552 4.357 . 0 0 "[ . 1 . 2]" 1
1061 1 94 SER HA 1 95 TYR QD . . 4.190 3.967 3.649 4.221 0.031 4 0 "[ . 1 . 2]" 1
1062 1 94 SER HA 1 126 PRO HB3 . . 4.750 4.498 3.516 4.818 0.068 19 0 "[ . 1 . 2]" 1
1063 1 94 SER HB2 1 96 GLU H . . 4.560 3.112 2.643 3.677 . 0 0 "[ . 1 . 2]" 1
1064 1 94 SER HB3 1 95 TYR QE . . 3.920 3.796 3.648 3.979 0.059 1 0 "[ . 1 . 2]" 1
1065 1 94 SER HB3 1 96 GLU H . . 4.140 2.805 2.417 3.309 . 0 0 "[ . 1 . 2]" 1
1066 1 94 SER HB3 1 96 GLU HB2 . . 4.250 3.736 2.991 4.113 . 0 0 "[ . 1 . 2]" 1
1067 1 94 SER HB3 1 127 THR MG . . 5.060 4.802 4.209 5.118 0.058 4 0 "[ . 1 . 2]" 1
1068 1 95 TYR H 1 95 TYR HB3 . . 3.910 2.325 2.271 2.374 . 0 0 "[ . 1 . 2]" 1
1069 1 95 TYR H 1 95 TYR QD . . 4.940 1.970 1.903 2.099 . 0 0 "[ . 1 . 2]" 1
1070 1 95 TYR H 1 97 MET H . . 4.890 4.705 4.565 4.784 . 0 0 "[ . 1 . 2]" 1
1071 1 95 TYR H 1 127 THR HA . . 4.390 3.610 2.172 4.419 0.029 18 0 "[ . 1 . 2]" 1
1072 1 95 TYR H 1 127 THR MG . . 5.380 3.786 3.268 4.136 . 0 0 "[ . 1 . 2]" 1
1073 1 95 TYR HA 1 95 TYR QD . . 3.830 3.713 3.689 3.729 . 0 0 "[ . 1 . 2]" 1
1074 1 95 TYR HA 1 127 THR MG . . 4.920 4.751 4.102 4.957 0.037 18 0 "[ . 1 . 2]" 1
1075 1 95 TYR HB2 1 96 GLU H . . 4.630 4.003 3.937 4.095 . 0 0 "[ . 1 . 2]" 1
1076 1 95 TYR HB3 1 96 GLU H . . 4.380 3.874 3.799 3.951 . 0 0 "[ . 1 . 2]" 1
1077 1 95 TYR HB3 1 127 THR HA . . 3.560 3.467 2.247 3.642 0.082 4 0 "[ . 1 . 2]" 1
1078 1 95 TYR HB3 1 127 THR MG . . 3.890 2.613 1.974 2.944 . 0 0 "[ . 1 . 2]" 1
1079 1 95 TYR QD 1 96 GLU HB2 . . 4.860 3.873 3.444 4.251 . 0 0 "[ . 1 . 2]" 1
1080 1 95 TYR QD 1 127 THR MG . . 3.830 2.674 2.414 3.177 . 0 0 "[ . 1 . 2]" 1
1081 1 96 GLU H 1 96 GLU HB2 . . 3.730 2.154 2.075 2.247 . 0 0 "[ . 1 . 2]" 1
1082 1 96 GLU H 1 96 GLU HB3 . . 4.040 3.142 2.852 3.492 . 0 0 "[ . 1 . 2]" 1
1083 1 96 GLU H 1 97 MET H . . 3.850 2.805 2.742 2.855 . 0 0 "[ . 1 . 2]" 1
1084 1 96 GLU H 1 99 ARG H . . 4.600 4.444 4.391 4.505 . 0 0 "[ . 1 . 2]" 1
1085 1 96 GLU HA 1 96 GLU QG . . 3.590 2.100 2.010 2.232 . 0 0 "[ . 1 . 2]" 1
1086 1 96 GLU HA 1 99 ARG HB2 . . 3.510 2.895 2.046 3.579 0.069 6 0 "[ . 1 . 2]" 1
1087 1 96 GLU HA 1 99 ARG HB3 . . 4.360 2.700 2.081 4.033 . 0 0 "[ . 1 . 2]" 1
1088 1 96 GLU HA 1 99 ARG QG . . 4.340 3.639 3.011 3.932 . 0 0 "[ . 1 . 2]" 1
1089 1 96 GLU HA 1 100 ILE MD . . 5.120 3.982 3.754 4.241 . 0 0 "[ . 1 . 2]" 1
1090 1 96 GLU HB2 1 97 MET H . . 3.460 3.064 2.539 3.423 . 0 0 "[ . 1 . 2]" 1
1091 1 96 GLU HB3 1 97 MET H . . 4.140 2.477 2.227 2.945 . 0 0 "[ . 1 . 2]" 1
1092 1 96 GLU QG 1 99 ARG QG . . 4.190 4.165 4.054 4.337 0.147 8 0 "[ . 1 . 2]" 1
1093 1 97 MET H 1 97 MET QB . . 3.490 2.322 2.085 2.568 . 0 0 "[ . 1 . 2]" 1
1094 1 97 MET H 1 98 CYS H . . 3.480 2.808 2.745 2.884 . 0 0 "[ . 1 . 2]" 1
1095 1 97 MET H 1 100 ILE MD . . 4.840 4.818 4.460 4.921 0.081 15 0 "[ . 1 . 2]" 1
1096 1 97 MET HA 1 97 MET QG . . 3.730 2.562 2.068 2.999 . 0 0 "[ . 1 . 2]" 1
1097 1 97 MET HA 1 100 ILE MD . . 4.150 3.562 3.179 3.758 . 0 0 "[ . 1 . 2]" 1
1098 1 97 MET ME 1 97 MET QG . . 3.060 2.057 1.968 2.202 . 0 0 "[ . 1 . 2]" 1
1099 1 98 CYS H 1 99 ARG H . . 3.770 2.452 2.388 2.549 . 0 0 "[ . 1 . 2]" 1
1100 1 98 CYS HB2 1 99 ARG H . . 4.340 3.703 2.708 4.173 . 0 0 "[ . 1 . 2]" 1
1101 1 98 CYS HB3 1 99 ARG HA . . 4.410 4.186 4.014 4.463 0.053 8 0 "[ . 1 . 2]" 1
1102 1 99 ARG H 1 99 ARG HB2 . . 3.760 2.541 2.105 2.795 . 0 0 "[ . 1 . 2]" 1
1103 1 99 ARG H 1 99 ARG HB3 . . 4.080 2.697 2.316 3.531 . 0 0 "[ . 1 . 2]" 1
1104 1 99 ARG H 1 100 ILE H . . 4.200 2.501 2.470 2.589 . 0 0 "[ . 1 . 2]" 1
1105 1 99 ARG H 1 102 MET ME . . 5.240 3.657 2.899 5.320 0.080 15 0 "[ . 1 . 2]" 1
1106 1 99 ARG HA 1 99 ARG QD . . 4.940 3.171 2.100 4.006 . 0 0 "[ . 1 . 2]" 1
1107 1 99 ARG HA 1 99 ARG QG . . 3.210 2.469 2.067 3.096 . 0 0 "[ . 1 . 2]" 1
1108 1 99 ARG HA 1 100 ILE HA . . 4.920 4.889 4.844 4.914 . 0 0 "[ . 1 . 2]" 1
1109 1 99 ARG HA 1 102 MET H . . 4.660 3.071 2.794 4.306 . 0 0 "[ . 1 . 2]" 1
1110 1 99 ARG HA 1 102 MET QB . . 4.300 2.410 1.943 3.127 . 0 0 "[ . 1 . 2]" 1
1111 1 99 ARG HA 1 102 MET ME . . 4.530 2.211 1.885 3.847 . 0 0 "[ . 1 . 2]" 1
1112 1 99 ARG HB3 1 100 ILE H . . 3.380 3.063 2.719 3.556 0.176 8 0 "[ . 1 . 2]" 1
1113 1 99 ARG QD 1 102 MET ME . . 4.640 3.130 1.963 4.654 0.014 13 0 "[ . 1 . 2]" 1
1114 1 99 ARG QG 1 102 MET ME . . 3.660 2.836 1.823 3.684 0.024 4 0 "[ . 1 . 2]" 1
1115 1 100 ILE H 1 100 ILE HB . . 3.600 2.638 2.098 2.773 . 0 0 "[ . 1 . 2]" 1
1116 1 100 ILE H 1 100 ILE HG12 . . 4.390 2.174 1.857 4.328 . 0 0 "[ . 1 . 2]" 1
1117 1 100 ILE HA 1 100 ILE HG12 . . 4.230 3.264 3.095 3.513 . 0 0 "[ . 1 . 2]" 1
1118 1 100 ILE HA 1 100 ILE HG13 . . 3.990 3.596 2.442 3.764 . 0 0 "[ . 1 . 2]" 1
1119 1 100 ILE HA 1 100 ILE MG . . 2.930 2.404 2.254 2.990 0.060 8 0 "[ . 1 . 2]" 1
1120 1 100 ILE HB 1 101 THR H . . 4.400 2.910 2.518 3.468 . 0 0 "[ . 1 . 2]" 1
1121 1 100 ILE HG13 1 100 ILE MG . . 3.360 2.316 2.232 2.389 . 0 0 "[ . 1 . 2]" 1
1122 1 100 ILE MG 1 101 THR H . . 4.950 3.624 2.349 3.958 . 0 0 "[ . 1 . 2]" 1
1123 1 101 THR H 1 101 THR MG . . 3.670 2.312 2.087 2.731 . 0 0 "[ . 1 . 2]" 1
1124 1 101 THR H 1 102 MET H . . 4.080 2.366 2.198 3.243 . 0 0 "[ . 1 . 2]" 1
1125 1 101 THR H 1 102 MET QG . . 4.430 4.243 3.837 4.515 0.085 15 0 "[ . 1 . 2]" 1
1126 1 101 THR HA 1 101 THR MG . . 3.410 2.451 2.191 3.195 . 0 0 "[ . 1 . 2]" 1
1127 1 101 THR HA 1 104 PRO HG3 . . 3.910 3.186 2.897 3.969 0.059 15 0 "[ . 1 . 2]" 1
1128 1 101 THR HB 1 102 MET H . . 4.640 4.105 3.809 4.658 0.018 15 0 "[ . 1 . 2]" 1
1129 1 101 THR MG 1 102 MET H . . 4.780 3.903 3.740 4.235 . 0 0 "[ . 1 . 2]" 1
1130 1 102 MET H 1 102 MET ME . . 3.650 3.569 3.212 3.699 0.049 1 0 "[ . 1 . 2]" 1
1131 1 102 MET H 1 102 MET QG . . 3.670 2.608 1.853 2.964 . 0 0 "[ . 1 . 2]" 1
1132 1 102 MET H 1 103 GLU H . . 3.850 2.538 2.389 2.646 . 0 0 "[ . 1 . 2]" 1
1133 1 102 MET QB 1 102 MET ME . . 2.820 2.495 1.877 2.934 0.114 17 0 "[ . 1 . 2]" 1
1134 1 103 GLU H 1 103 GLU HB2 . . 3.160 2.179 2.073 2.917 . 0 0 "[ . 1 . 2]" 1
1135 1 103 GLU H 1 104 PRO HD3 . . 3.810 3.253 2.751 3.428 . 0 0 "[ . 1 . 2]" 1
1136 1 103 GLU HA 1 103 GLU HB3 . . 2.960 2.784 2.427 2.966 0.006 18 0 "[ . 1 . 2]" 1
1137 1 103 GLU HA 1 103 GLU QG . . 3.380 2.222 2.004 2.755 . 0 0 "[ . 1 . 2]" 1
1138 1 103 GLU QG 1 104 PRO HD3 . . 4.570 3.810 1.965 4.579 0.009 15 0 "[ . 1 . 2]" 1
1139 1 104 PRO HB3 1 105 CYS H . . 4.860 3.755 3.178 3.911 . 0 0 "[ . 1 . 2]" 1
1140 1 104 PRO HG2 1 105 CYS H . . 3.630 1.992 1.759 3.877 0.247 9 0 "[ . 1 . 2]" 1
1141 1 105 CYS H 1 105 CYS HB2 . . 3.640 2.663 2.373 3.331 . 0 0 "[ . 1 . 2]" 1
1142 1 105 CYS H 1 106 ARG H . . 4.470 3.852 3.516 4.290 . 0 0 "[ . 1 . 2]" 1
1143 1 105 CYS HA 1 106 ARG HB3 . . 4.450 4.549 4.486 4.604 0.154 7 0 "[ . 1 . 2]" 1
1144 1 106 ARG H 1 106 ARG HB2 . . 3.220 2.792 2.527 2.942 . 0 0 "[ . 1 . 2]" 1
1145 1 106 ARG H 1 106 ARG HB3 . . 3.630 2.332 2.266 2.525 . 0 0 "[ . 1 . 2]" 1
1146 1 106 ARG H 1 107 ILE H . . 3.850 2.516 2.359 2.875 . 0 0 "[ . 1 . 2]" 1
1147 1 106 ARG H 1 107 ILE MD . . 5.080 4.495 4.221 5.081 0.001 9 0 "[ . 1 . 2]" 1
1148 1 106 ARG HA 1 109 TYR QD . . 4.870 4.612 4.078 4.929 0.059 12 0 "[ . 1 . 2]" 1
1149 1 106 ARG HB2 1 106 ARG QD . . 3.280 2.629 2.150 3.279 . 0 0 "[ . 1 . 2]" 1
1150 1 106 ARG HB3 1 107 ILE H . . 3.900 3.044 2.473 3.249 . 0 0 "[ . 1 . 2]" 1
1151 1 106 ARG HB3 1 107 ILE MD . . 5.020 3.622 3.135 3.957 . 0 0 "[ . 1 . 2]" 1
1152 1 106 ARG QD 1 107 ILE MD . . 4.770 3.672 1.975 4.798 0.028 1 0 "[ . 1 . 2]" 1
1153 1 107 ILE H 1 107 ILE HB . . 3.220 2.607 2.547 2.654 . 0 0 "[ . 1 . 2]" 1
1154 1 107 ILE H 1 107 ILE MG . . 3.770 3.767 3.762 3.802 0.032 15 0 "[ . 1 . 2]" 1
1155 1 107 ILE HA 1 107 ILE MD . . 3.420 2.040 1.949 2.124 . 0 0 "[ . 1 . 2]" 1
1156 1 107 ILE HA 1 107 ILE HG12 . . 3.560 3.161 3.087 3.269 . 0 0 "[ . 1 . 2]" 1
1157 1 107 ILE HA 1 107 ILE HG13 . . 3.670 3.717 3.695 3.753 0.083 12 0 "[ . 1 . 2]" 1
1158 1 107 ILE HA 1 107 ILE MG . . 3.370 2.285 2.195 2.383 . 0 0 "[ . 1 . 2]" 1
1159 1 107 ILE HB 1 107 ILE MD . . 3.380 3.222 3.215 3.229 . 0 0 "[ . 1 . 2]" 1
1160 1 107 ILE HB 1 108 LEU HA . . 4.550 4.437 4.363 4.557 0.007 15 0 "[ . 1 . 2]" 1
1161 1 107 ILE HB 1 113 PHE QD . . 4.750 4.227 2.798 4.813 0.063 14 0 "[ . 1 . 2]" 1
1162 1 107 ILE MD 1 109 TYR QE . . 4.270 3.621 2.870 4.317 0.047 9 0 "[ . 1 . 2]" 1
1163 1 107 ILE MG 1 109 TYR QD . . 5.080 4.498 3.951 4.941 . 0 0 "[ . 1 . 2]" 1
1164 1 107 ILE MG 1 113 PHE QD . . 5.130 3.062 2.199 4.347 . 0 0 "[ . 1 . 2]" 1
1165 1 108 LEU HA 1 108 LEU MD2 . . 3.280 2.518 2.001 3.153 . 0 0 "[ . 1 . 2]" 1
1166 1 108 LEU HA 1 108 LEU HG . . 4.040 3.294 2.316 3.707 . 0 0 "[ . 1 . 2]" 1
1167 1 108 LEU HB2 1 109 TYR H . . 4.920 4.143 4.054 4.341 . 0 0 "[ . 1 . 2]" 1
1168 1 108 LEU QD 1 113 PHE QD . . 3.600 2.673 1.753 3.622 0.022 10 0 "[ . 1 . 2]" 1
1169 1 108 LEU MD1 1 113 PHE H . . 4.970 3.678 2.094 4.989 0.019 4 0 "[ . 1 . 2]" 1
1170 1 108 LEU MD1 1 113 PHE QD . . 3.910 3.501 1.976 3.952 0.042 15 0 "[ . 1 . 2]" 1
1171 1 108 LEU MD2 1 113 PHE H . . 4.880 3.745 2.546 4.886 0.006 20 0 "[ . 1 . 2]" 1
1172 1 108 LEU MD2 1 113 PHE QD . . 4.690 3.009 1.935 4.363 . 0 0 "[ . 1 . 2]" 1
1173 1 109 TYR H 1 109 TYR HB2 . . 3.440 3.290 2.249 3.601 0.161 2 0 "[ . 1 . 2]" 1
1174 1 109 TYR H 1 109 TYR QD . . 4.450 2.660 1.935 3.264 . 0 0 "[ . 1 . 2]" 1
1175 1 109 TYR H 1 110 ASN H . . 4.850 2.825 2.535 3.010 . 0 0 "[ . 1 . 2]" 1
1176 1 109 TYR HA 1 109 TYR QD . . 3.680 3.397 2.149 3.737 0.057 3 0 "[ . 1 . 2]" 1
1177 1 109 TYR HA 1 111 THR H . . 5.470 5.174 4.488 5.621 0.151 12 0 "[ . 1 . 2]" 1
1178 1 110 ASN H 1 110 ASN HD21 . . 4.750 3.456 2.490 4.005 . 0 0 "[ . 1 . 2]" 1
1179 1 110 ASN H 1 110 ASN HD22 . . 4.070 4.108 3.798 4.220 0.150 20 0 "[ . 1 . 2]" 1
1180 1 110 ASN H 1 111 THR H . . 3.870 1.948 1.834 2.310 . 0 0 "[ . 1 . 2]" 1
1181 1 110 ASN HA 1 110 ASN HB2 . . 2.850 2.490 2.238 2.648 . 0 0 "[ . 1 . 2]" 1
1182 1 110 ASN HA 1 123 THR H . . 4.840 4.489 3.518 4.919 0.079 15 0 "[ . 1 . 2]" 1
1183 1 110 ASN HB2 1 111 THR H . . 4.130 3.793 3.125 4.414 0.284 15 0 "[ . 1 . 2]" 1
1184 1 110 ASN HB2 1 123 THR H . . 4.730 4.499 3.300 4.758 0.028 9 0 "[ . 1 . 2]" 1
1185 1 110 ASN HB2 1 123 THR MG . . 4.510 2.332 1.924 2.999 . 0 0 "[ . 1 . 2]" 1
1186 1 110 ASN HD21 1 111 THR HA . . 4.730 3.564 2.778 4.801 0.071 20 0 "[ . 1 . 2]" 1
1187 1 110 ASN HD21 1 111 THR HB . . 4.430 3.704 2.593 4.733 0.303 15 0 "[ . 1 . 2]" 1
1188 1 110 ASN HD22 1 111 THR MG . . 5.100 4.632 3.947 5.331 0.231 7 0 "[ . 1 . 2]" 1
1189 1 110 ASN HD22 1 123 THR MG . . 5.060 4.884 3.793 5.086 0.026 20 0 "[ . 1 . 2]" 1
1190 1 111 THR H 1 111 THR MG . . 3.930 2.814 2.012 4.019 0.089 12 0 "[ . 1 . 2]" 1
1191 1 111 THR HA 1 111 THR MG . . 3.320 2.878 2.171 3.207 . 0 0 "[ . 1 . 2]" 1
1192 1 111 THR HA 1 112 THR HA . . 4.530 4.366 4.309 4.523 . 0 0 "[ . 1 . 2]" 1
1193 1 111 THR HB 1 112 THR H . . 4.620 3.925 3.603 4.351 . 0 0 "[ . 1 . 2]" 1
1194 1 111 THR MG 1 112 THR H . . 5.500 3.114 1.906 3.908 . 0 0 "[ . 1 . 2]" 1
1195 1 111 THR MG 1 112 THR HA . . 4.450 4.025 3.292 4.462 0.012 1 0 "[ . 1 . 2]" 1
1196 1 111 THR MG 1 113 PHE QB . . 4.190 2.889 1.901 4.520 0.330 12 0 "[ . 1 . 2]" 1
1197 1 112 THR H 1 112 THR MG . . 4.670 2.764 1.933 3.772 . 0 0 "[ . 1 . 2]" 1
1198 1 112 THR H 1 113 PHE H . . 4.710 3.339 1.852 4.303 . 0 0 "[ . 1 . 2]" 1
1199 1 112 THR HA 1 112 THR MG . . 3.270 2.565 2.021 3.207 . 0 0 "[ . 1 . 2]" 1
1200 1 113 PHE H 1 113 PHE QB . . 3.750 2.343 2.120 2.607 . 0 0 "[ . 1 . 2]" 1
1201 1 113 PHE H 1 113 PHE QD . . 4.490 3.951 3.032 4.328 . 0 0 "[ . 1 . 2]" 1
1202 1 113 PHE HA 1 113 PHE QD . . 3.840 2.371 2.023 2.994 . 0 0 "[ . 1 . 2]" 1
1203 1 114 PHE H 1 114 PHE HB2 . . 3.850 2.687 2.181 3.200 . 0 0 "[ . 1 . 2]" 1
1204 1 114 PHE HA 1 115 PRO HD3 . . 3.240 2.741 2.255 3.065 . 0 0 "[ . 1 . 2]" 1
1205 1 114 PHE HB2 1 117 PHE QD . . 3.760 2.983 2.162 3.765 0.005 15 0 "[ . 1 . 2]" 1
1206 1 114 PHE HB2 1 117 PHE QE . . 3.920 3.826 2.826 4.119 0.199 8 0 "[ . 1 . 2]" 1
1207 1 114 PHE HB2 1 118 LEU QD . . 5.220 3.568 2.165 5.238 0.018 5 0 "[ . 1 . 2]" 1
1208 1 114 PHE HB3 1 117 PHE QD . . 4.500 2.157 1.855 2.687 . 0 0 "[ . 1 . 2]" 1
1209 1 114 PHE HB3 1 117 PHE QE . . 4.360 3.822 1.980 4.465 0.105 10 0 "[ . 1 . 2]" 1
1210 1 114 PHE HB3 1 118 LEU H . . 5.070 3.912 3.330 5.087 0.017 15 0 "[ . 1 . 2]" 1
1211 1 114 PHE HB3 1 118 LEU QD . . 5.090 3.871 2.848 4.834 . 0 0 "[ . 1 . 2]" 1
1212 1 114 PHE HB3 1 118 LEU HG . . 4.740 4.259 3.467 4.924 0.184 2 0 "[ . 1 . 2]" 1
1213 1 115 PRO HA 1 116 LYS H . . 3.570 3.287 2.720 3.572 0.002 12 0 "[ . 1 . 2]" 1
1214 1 115 PRO HB2 1 116 LYS H . . 3.930 2.764 1.842 3.828 . 0 0 "[ . 1 . 2]" 1
1215 1 116 LYS H 1 116 LYS QB . . 3.020 2.380 2.118 2.731 . 0 0 "[ . 1 . 2]" 1
1216 1 116 LYS H 1 117 PHE H . . 3.860 2.736 2.534 3.660 . 0 0 "[ . 1 . 2]" 1
1217 1 116 LYS H 1 118 LEU H . . 4.670 4.216 3.514 4.753 0.083 20 0 "[ . 1 . 2]" 1
1218 1 116 LYS HA 1 116 LYS QB . . 2.780 2.202 2.160 2.475 . 0 0 "[ . 1 . 2]" 1
1219 1 116 LYS HA 1 116 LYS QE . . 4.550 4.181 3.911 4.570 0.020 4 0 "[ . 1 . 2]" 1
1220 1 116 LYS HA 1 116 LYS HG2 . . 3.910 3.593 2.159 4.042 0.132 10 0 "[ . 1 . 2]" 1
1221 1 116 LYS HA 1 118 LEU H . . 4.770 4.079 3.500 4.776 0.006 1 0 "[ . 1 . 2]" 1
1222 1 116 LYS HA 1 119 ARG H . . 4.650 4.206 2.960 4.768 0.118 5 0 "[ . 1 . 2]" 1
1223 1 116 LYS HA 1 119 ARG QD . . 3.820 3.129 1.984 3.853 0.033 11 0 "[ . 1 . 2]" 1
1224 1 116 LYS HA 1 119 ARG QG . . 4.390 3.517 2.192 4.461 0.071 13 0 "[ . 1 . 2]" 1
1225 1 116 LYS QB 1 117 PHE H . . 3.820 3.441 2.156 3.988 0.168 5 0 "[ . 1 . 2]" 1
1226 1 116 LYS QD 1 117 PHE HA . . 4.590 3.892 3.237 4.608 0.018 7 0 "[ . 1 . 2]" 1
1227 1 116 LYS QD 1 117 PHE HB2 . . 4.380 4.046 3.348 4.584 0.204 15 0 "[ . 1 . 2]" 1
1228 1 116 LYS HG2 1 117 PHE H . . 4.270 3.401 2.557 4.328 0.058 5 0 "[ . 1 . 2]" 1
1229 1 117 PHE H 1 117 PHE HB2 . . 3.950 3.236 2.936 3.938 . 0 0 "[ . 1 . 2]" 1
1230 1 117 PHE H 1 117 PHE HB3 . . 4.000 2.253 2.070 3.164 . 0 0 "[ . 1 . 2]" 1
1231 1 117 PHE H 1 118 LEU H . . 3.940 2.519 1.898 2.910 . 0 0 "[ . 1 . 2]" 1
1232 1 117 PHE HB3 1 118 LEU H . . 4.350 3.233 2.815 4.252 . 0 0 "[ . 1 . 2]" 1
1233 1 117 PHE QD 1 118 LEU QD . . 3.430 2.980 1.938 3.457 0.027 20 0 "[ . 1 . 2]" 1
1234 1 117 PHE QE 1 118 LEU QD . . 3.370 2.330 1.937 2.824 . 0 0 "[ . 1 . 2]" 1
1235 1 117 PHE HZ 1 118 LEU QD . . 3.270 3.138 2.344 3.377 0.107 19 0 "[ . 1 . 2]" 1
1236 1 117 PHE HZ 1 118 LEU MD2 . . 3.920 3.183 2.426 3.627 . 0 0 "[ . 1 . 2]" 1
1237 1 118 LEU H 1 118 LEU HB2 . . 3.990 2.532 2.098 3.785 . 0 0 "[ . 1 . 2]" 1
1238 1 118 LEU H 1 118 LEU HB3 . . 3.960 3.348 2.825 3.791 . 0 0 "[ . 1 . 2]" 1
1239 1 118 LEU H 1 118 LEU MD1 . . 4.460 3.836 2.420 4.438 . 0 0 "[ . 1 . 2]" 1
1240 1 118 LEU HA 1 118 LEU QD . . 3.540 2.301 1.896 3.425 . 0 0 "[ . 1 . 2]" 1
1241 1 118 LEU HA 1 120 CYS H . . 4.840 4.398 3.786 4.981 0.141 15 0 "[ . 1 . 2]" 1
1242 1 118 LEU MD1 1 119 ARG H . . 5.070 4.214 3.538 5.267 0.197 15 0 "[ . 1 . 2]" 1
1243 1 119 ARG H 1 119 ARG QB . . 3.370 2.646 2.043 3.325 . 0 0 "[ . 1 . 2]" 1
1244 1 119 ARG H 1 120 CYS H . . 4.770 3.358 2.608 4.196 . 0 0 "[ . 1 . 2]" 1
1245 1 119 ARG HA 1 119 ARG QD . . 4.010 2.837 1.972 3.982 . 0 0 "[ . 1 . 2]" 1
1246 1 119 ARG HA 1 120 CYS H . . 3.380 2.628 2.231 3.070 . 0 0 "[ . 1 . 2]" 1
1247 1 119 ARG QB 1 119 ARG QD . . 3.310 2.239 1.948 2.893 . 0 0 "[ . 1 . 2]" 1
1248 1 119 ARG QB 1 120 CYS H . . 4.330 3.815 3.643 3.992 . 0 0 "[ . 1 . 2]" 1
1249 1 119 ARG QG 1 120 CYS H . . 5.080 4.470 3.770 4.881 . 0 0 "[ . 1 . 2]" 1
1250 1 120 CYS H 1 120 CYS HB2 . . 4.200 3.320 2.408 4.012 . 0 0 "[ . 1 . 2]" 1
1251 1 120 CYS HA 1 121 ASN HD21 . . 4.970 4.670 4.000 5.021 0.051 17 0 "[ . 1 . 2]" 1
1252 1 120 CYS HB2 1 121 ASN H . . 4.060 3.575 2.270 4.076 0.016 11 0 "[ . 1 . 2]" 1
1253 1 121 ASN H 1 121 ASN HD21 . . 4.140 2.973 2.335 3.856 . 0 0 "[ . 1 . 2]" 1
1254 1 121 ASN H 1 122 GLU H . . 4.480 4.472 4.340 4.641 0.161 17 0 "[ . 1 . 2]" 1
1255 1 121 ASN HA 1 124 LEU MD2 . . 4.620 3.969 2.001 4.660 0.040 19 0 "[ . 1 . 2]" 1
1256 1 121 ASN HB2 1 124 LEU HB3 . . 4.190 4.137 3.556 4.428 0.238 6 0 "[ . 1 . 2]" 1
1257 1 121 ASN HB2 1 124 LEU MD1 . . 4.940 3.130 2.023 4.979 0.039 18 0 "[ . 1 . 2]" 1
1258 1 121 ASN HB2 1 124 LEU HG . . 4.570 3.349 2.007 4.493 . 0 0 "[ . 1 . 2]" 1
1259 1 121 ASN HB3 1 124 LEU MD1 . . 4.290 2.673 1.953 4.319 0.029 10 0 "[ . 1 . 2]" 1
1260 1 121 ASN HD22 1 124 LEU MD1 . . 4.930 4.416 3.237 5.057 0.127 17 0 "[ . 1 . 2]" 1
1261 1 122 GLU H 1 122 GLU QG . . 4.910 3.292 1.886 4.262 . 0 0 "[ . 1 . 2]" 1
1262 1 122 GLU H 1 123 THR H . . 3.930 2.601 1.860 4.247 0.317 17 0 "[ . 1 . 2]" 1
1263 1 122 GLU H 1 124 LEU H . . 4.590 3.252 2.691 3.829 . 0 0 "[ . 1 . 2]" 1
1264 1 122 GLU H 1 124 LEU HG . . 4.360 3.490 2.300 4.697 0.337 17 0 "[ . 1 . 2]" 1
1265 1 122 GLU HA 1 122 GLU QG . . 3.400 2.806 2.082 3.416 0.016 18 0 "[ . 1 . 2]" 1
1266 1 122 GLU HA 1 124 LEU H . . 4.360 4.043 3.374 4.372 0.012 6 0 "[ . 1 . 2]" 1
1267 1 122 GLU QB 1 123 THR H . . 4.240 2.692 1.921 3.920 . 0 0 "[ . 1 . 2]" 1
1268 1 122 GLU QB 1 123 THR MG . . 4.050 3.215 2.281 4.097 0.047 20 0 "[ . 1 . 2]" 1
1269 1 122 GLU QG 1 123 THR MG . . 4.180 3.666 2.364 4.264 0.084 9 0 "[ . 1 . 2]" 1
1270 1 123 THR H 1 123 THR MG . . 3.960 2.423 1.893 3.736 . 0 0 "[ . 1 . 2]" 1
1271 1 123 THR H 1 124 LEU H . . 3.410 2.643 2.054 3.149 . 0 0 "[ . 1 . 2]" 1
1272 1 123 THR HA 1 123 THR MG . . 3.350 2.483 2.137 3.207 . 0 0 "[ . 1 . 2]" 1
1273 1 124 LEU H 1 124 LEU HB3 . . 3.890 3.350 2.610 3.732 . 0 0 "[ . 1 . 2]" 1
1274 1 124 LEU HA 1 124 LEU HB3 . . 2.920 2.466 2.348 2.703 . 0 0 "[ . 1 . 2]" 1
1275 1 124 LEU HA 1 124 LEU MD1 . . 4.550 3.638 1.987 4.131 . 0 0 "[ . 1 . 2]" 1
1276 1 124 LEU HA 1 124 LEU MD2 . . 4.230 2.725 1.935 4.068 . 0 0 "[ . 1 . 2]" 1
1277 1 124 LEU HA 1 124 LEU HG . . 3.870 3.421 2.876 3.711 . 0 0 "[ . 1 . 2]" 1
1278 1 124 LEU HB2 1 125 PHE QD . . 4.830 4.757 3.698 4.983 0.153 18 0 "[ . 1 . 2]" 1
1279 1 124 LEU HB3 1 125 PHE H . . 4.280 2.928 1.896 4.339 0.059 17 0 "[ . 1 . 2]" 1
1280 1 125 PHE HA 1 125 PHE QD . . 3.990 2.790 2.292 3.672 . 0 0 "[ . 1 . 2]" 1
1281 1 125 PHE HA 1 126 PRO HD2 . . 3.900 2.086 1.926 2.195 . 0 0 "[ . 1 . 2]" 1
1282 1 125 PHE HA 1 126 PRO HD3 . . 3.730 2.905 2.599 3.066 . 0 0 "[ . 1 . 2]" 1
1283 1 125 PHE HA 1 126 PRO HG2 . . 4.680 4.217 4.118 4.291 . 0 0 "[ . 1 . 2]" 1
1284 1 126 PRO HB2 1 127 THR H . . 4.240 2.816 1.992 2.977 . 0 0 "[ . 1 . 2]" 1
1285 1 126 PRO HB3 1 127 THR H . . 3.840 3.808 3.178 3.933 0.093 18 0 "[ . 1 . 2]" 1
1286 1 126 PRO HD3 1 127 THR H . . 5.380 4.103 3.859 5.548 0.168 15 0 "[ . 1 . 2]" 1
1287 1 127 THR H 1 127 THR HB . . 4.050 3.569 3.143 4.003 . 0 0 "[ . 1 . 2]" 1
1288 1 127 THR H 1 127 THR MG . . 4.050 2.968 2.085 3.838 . 0 0 "[ . 1 . 2]" 1
1289 1 127 THR H 1 128 LYS H . . 3.690 3.120 1.981 4.339 0.649 18 1 "[ . 1 . + 2]" 1
1290 1 127 THR HA 1 127 THR HB . . 2.820 2.678 2.303 2.904 0.084 18 0 "[ . 1 . 2]" 1
1291 1 127 THR HA 1 127 THR MG . . 3.270 2.146 1.922 3.183 . 0 0 "[ . 1 . 2]" 1
1292 1 127 THR HA 1 128 LYS H . . 3.520 3.240 2.141 3.568 0.048 10 0 "[ . 1 . 2]" 1
1293 1 127 THR HA 1 128 LYS HB3 . . 4.560 4.551 4.292 5.301 0.741 18 1 "[ . 1 . + 2]" 1
1294 1 127 THR HA 1 128 LYS QG . . 4.440 4.283 3.902 4.785 0.345 18 0 "[ . 1 . 2]" 1
1295 1 127 THR HB 1 128 LYS H . . 3.920 2.886 2.044 4.029 0.109 3 0 "[ . 1 . 2]" 1
1296 1 128 LYS HA 1 128 LYS HB2 . . 2.920 2.448 2.243 2.874 . 0 0 "[ . 1 . 2]" 1
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