NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443562 |
2kep   |
16164 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kep
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 1067
_Distance_constraint_stats_list.Viol_count 2458
_Distance_constraint_stats_list.Viol_total 3039.632
_Distance_constraint_stats_list.Viol_max 1.453
_Distance_constraint_stats_list.Viol_rms 0.0356
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0618
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 18.009 1.453 13 18 "[*** **-*****+ ******]"
1 2 SER 0.441 0.120 8 0 "[ . 1 . 2]"
1 3 ARG 0.494 0.120 8 0 "[ . 1 . 2]"
1 4 PRO 0.053 0.044 2 0 "[ . 1 . 2]"
1 5 ASP 0.163 0.055 16 0 "[ . 1 . 2]"
1 6 GLN 16.742 1.453 13 18 "[*** ***-****+ ******]"
1 7 ALA 0.556 0.073 19 0 "[ . 1 . 2]"
1 8 LYS 1.625 0.185 17 0 "[ . 1 . 2]"
1 9 VAL 3.510 0.582 13 2 "[ . - 1 + . 2]"
1 10 THR 0.942 0.085 1 0 "[ . 1 . 2]"
1 11 VAL 1.643 0.143 6 0 "[ . 1 . 2]"
1 12 ALA 1.481 0.090 1 0 "[ . 1 . 2]"
1 13 LYS 1.757 0.109 10 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 2.315 0.191 2 0 "[ . 1 . 2]"
1 16 ILE 2.082 0.092 9 0 "[ . 1 . 2]"
1 17 LYS 1.333 0.217 1 0 "[ . 1 . 2]"
1 18 ALA 3.116 0.198 19 0 "[ . 1 . 2]"
1 19 ILE 4.949 0.198 19 0 "[ . 1 . 2]"
1 20 ALA 0.463 0.076 13 0 "[ . 1 . 2]"
1 21 ALA 0.037 0.015 2 0 "[ . 1 . 2]"
1 22 ALA 1.286 0.134 6 0 "[ . 1 . 2]"
1 23 LEU 3.505 0.130 17 0 "[ . 1 . 2]"
1 24 ASP 0.237 0.080 19 0 "[ . 1 . 2]"
1 25 MET 1.054 0.130 2 0 "[ . 1 . 2]"
1 26 TYR 15.143 0.298 10 0 "[ . 1 . 2]"
1 27 LYS 4.524 0.198 17 0 "[ . 1 . 2]"
1 28 LEU 0.852 0.110 16 0 "[ . 1 . 2]"
1 29 ASP 2.087 0.154 8 0 "[ . 1 . 2]"
1 30 ASN 11.148 0.263 15 0 "[ . 1 . 2]"
1 31 PHE 14.832 0.263 15 0 "[ . 1 . 2]"
1 32 ALA 4.050 0.179 11 0 "[ . 1 . 2]"
1 33 TYR 6.867 0.198 17 0 "[ . 1 . 2]"
1 34 PRO 0.126 0.025 18 0 "[ . 1 . 2]"
1 35 SER 0.978 0.228 13 0 "[ . 1 . 2]"
1 36 THR 1.736 0.228 13 0 "[ . 1 . 2]"
1 37 GLN 1.711 0.175 5 0 "[ . 1 . 2]"
1 38 GLN 3.222 0.145 20 0 "[ . 1 . 2]"
1 39 GLY 0.701 0.061 7 0 "[ . 1 . 2]"
1 40 LEU 1.257 0.048 17 0 "[ . 1 . 2]"
1 41 GLU 1.769 0.201 9 0 "[ . 1 . 2]"
1 42 ALA 5.974 0.166 16 0 "[ . 1 . 2]"
1 43 LEU 0.911 0.107 17 0 "[ . 1 . 2]"
1 44 VAL 1.350 0.131 1 0 "[ . 1 . 2]"
1 45 LYS 1.132 0.160 5 0 "[ . 1 . 2]"
1 46 LYS 3.387 0.169 8 0 "[ . 1 . 2]"
1 47 PRO 1.214 0.204 16 0 "[ . 1 . 2]"
1 48 THR 0.245 0.066 19 0 "[ . 1 . 2]"
1 49 GLY 0.245 0.066 19 0 "[ . 1 . 2]"
1 50 ASN 0.815 0.455 12 0 "[ . 1 . 2]"
1 51 PRO 5.032 0.298 10 0 "[ . 1 . 2]"
1 52 GLN 0.269 0.269 6 0 "[ . 1 . 2]"
1 53 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 1.048 0.110 16 0 "[ . 1 . 2]"
1 55 ASN 0.525 0.125 17 0 "[ . 1 . 2]"
1 56 TRP 9.364 0.211 9 0 "[ . 1 . 2]"
1 57 ASN 4.807 0.159 2 0 "[ . 1 . 2]"
1 58 LYS 3.824 0.228 9 0 "[ . 1 . 2]"
1 59 ASP 0.600 0.169 5 0 "[ . 1 . 2]"
1 60 GLY 4.703 0.133 13 0 "[ . 1 . 2]"
1 61 TYR 9.218 0.255 8 0 "[ . 1 . 2]"
1 62 LEU 0.648 0.143 2 0 "[ . 1 . 2]"
1 63 LYS 0.815 0.089 6 0 "[ . 1 . 2]"
1 64 LYS 3.399 0.192 19 0 "[ . 1 . 2]"
1 65 LEU 0.375 0.068 8 0 "[ . 1 . 2]"
1 66 PRO 0.001 0.001 12 0 "[ . 1 . 2]"
1 67 VAL 4.486 0.188 2 0 "[ . 1 . 2]"
1 68 ASP 2.670 0.285 6 0 "[ . 1 . 2]"
1 69 PRO 3.345 0.185 17 0 "[ . 1 . 2]"
1 70 TRP 8.871 0.285 6 0 "[ . 1 . 2]"
1 71 GLY 2.000 0.110 20 0 "[ . 1 . 2]"
1 72 ASN 2.457 0.133 6 0 "[ . 1 . 2]"
1 73 PRO 0.979 0.089 11 0 "[ . 1 . 2]"
1 74 TYR 3.191 0.191 2 0 "[ . 1 . 2]"
1 75 GLN 3.682 0.188 2 0 "[ . 1 . 2]"
1 76 TYR 4.742 0.228 9 0 "[ . 1 . 2]"
1 77 LEU 0.814 0.107 17 0 "[ . 1 . 2]"
1 78 ALA 4.225 0.145 20 0 "[ . 1 . 2]"
1 79 PRO 6.181 0.145 20 0 "[ . 1 . 2]"
1 80 GLY 2.024 0.184 12 0 "[ . 1 . 2]"
1 81 THR 2.173 0.138 13 0 "[ . 1 . 2]"
1 82 LYS 1.715 0.138 13 0 "[ . 1 . 2]"
1 83 GLY 5.026 0.184 12 0 "[ . 1 . 2]"
1 84 PRO 0.885 0.065 7 0 "[ . 1 . 2]"
1 85 PHE 1.891 0.076 13 0 "[ . 1 . 2]"
1 86 ASP 0.792 0.087 4 0 "[ . 1 . 2]"
1 87 LEU 1.547 0.104 11 0 "[ . 1 . 2]"
1 88 TYR 3.684 0.166 8 0 "[ . 1 . 2]"
1 89 SER 0.586 0.116 1 0 "[ . 1 . 2]"
1 90 LEU 2.184 0.133 6 0 "[ . 1 . 2]"
1 91 GLY 1.926 0.121 11 0 "[ . 1 . 2]"
1 92 ALA 1.115 0.132 11 0 "[ . 1 . 2]"
1 93 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LYS 0.034 0.020 9 0 "[ . 1 . 2]"
1 96 GLU 0.830 0.089 8 0 "[ . 1 . 2]"
1 97 GLY 0.108 0.040 9 0 "[ . 1 . 2]"
1 98 GLY 1.196 0.086 20 0 "[ . 1 . 2]"
1 99 SER 2.053 0.086 20 0 "[ . 1 . 2]"
1 100 ASP 0.949 0.113 19 0 "[ . 1 . 2]"
1 101 ASN 1.786 0.121 11 0 "[ . 1 . 2]"
1 102 ASP 0.208 0.042 2 0 "[ . 1 . 2]"
1 103 ALA 0.674 0.056 3 0 "[ . 1 . 2]"
1 104 ASP 0.029 0.029 8 0 "[ . 1 . 2]"
1 105 ILE 0.980 0.069 12 0 "[ . 1 . 2]"
1 106 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ASN 1.028 0.092 9 0 "[ . 1 . 2]"
1 108 TRP 1.555 0.087 4 0 "[ . 1 . 2]"
1 109 ASP 0.622 0.068 17 0 "[ . 1 . 2]"
1 110 ASN 0.251 0.040 3 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET H1 1 1 MET QB 3.800 . 3.800 2.544 2.330 2.709 . 0 0 "[ . 1 . 2]" 1
2 1 1 MET H1 1 6 GLN QB 4.100 . 4.100 4.881 4.222 5.553 1.453 13 18 "[*** ***-****+ ******]" 1
3 1 1 MET H1 1 9 VAL QG 5.300 . 5.300 5.263 4.402 5.882 0.582 13 2 "[ . - 1 + . 2]" 1
4 1 1 MET HA 1 1 MET QG 3.800 . 3.800 2.634 2.325 2.934 . 0 0 "[ . 1 . 2]" 1
5 1 1 MET QB 1 6 GLN QB 3.000 . 3.000 2.175 1.778 2.909 0.022 6 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 9 VAL HB 3.500 . 3.500 3.299 2.892 3.534 0.034 8 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 9 VAL QG 4.200 . 4.200 3.572 3.208 3.867 . 0 0 "[ . 1 . 2]" 1
8 1 1 MET QG 1 2 SER H 5.300 . 5.300 4.280 3.589 4.840 . 0 0 "[ . 1 . 2]" 1
9 1 2 SER QB 1 3 ARG H 4.000 . 4.000 3.863 3.662 4.022 0.022 16 0 "[ . 1 . 2]" 1
10 1 2 SER QB 1 3 ARG QG 4.500 . 4.500 4.254 3.819 4.620 0.120 8 0 "[ . 1 . 2]" 1
11 1 3 ARG H 1 4 PRO QD 4.500 . 4.500 4.319 4.240 4.375 . 0 0 "[ . 1 . 2]" 1
12 1 3 ARG HA 1 3 ARG QG 3.600 . 3.600 2.740 2.388 3.364 . 0 0 "[ . 1 . 2]" 1
13 1 3 ARG HA 1 4 PRO QD 3.900 . 3.900 2.185 2.038 2.395 . 0 0 "[ . 1 . 2]" 1
14 1 3 ARG QB 1 4 PRO QD 3.200 . 3.200 2.108 1.915 2.451 . 0 0 "[ . 1 . 2]" 1
15 1 3 ARG QG 1 4 PRO QD 3.700 . 3.700 3.413 3.053 3.744 0.044 2 0 "[ . 1 . 2]" 1
16 1 5 ASP QB 1 9 VAL QG 4.200 . 4.200 4.002 3.590 4.255 0.055 16 0 "[ . 1 . 2]" 1
17 1 6 GLN HA 1 10 THR MG 4.900 . 4.900 4.925 4.816 4.952 0.052 5 0 "[ . 1 . 2]" 1
18 1 6 GLN QB 1 7 ALA H 4.700 . 4.700 2.868 2.590 3.052 . 0 0 "[ . 1 . 2]" 1
19 1 6 GLN QB 1 7 ALA HA 4.100 . 4.100 4.032 3.900 4.138 0.038 2 0 "[ . 1 . 2]" 1
20 1 6 GLN QB 1 10 THR HB 4.500 . 4.500 4.348 4.001 4.585 0.085 1 0 "[ . 1 . 2]" 1
21 1 6 GLN QG 1 7 ALA H 4.200 . 4.200 4.058 3.741 4.252 0.052 14 0 "[ . 1 . 2]" 1
22 1 7 ALA H 1 7 ALA MB 3.200 . 3.200 2.221 2.190 2.244 . 0 0 "[ . 1 . 2]" 1
23 1 7 ALA H 1 8 LYS H 4.000 . 4.000 2.606 2.549 2.655 . 0 0 "[ . 1 . 2]" 1
24 1 7 ALA HA 1 10 THR H 4.100 . 4.100 3.479 3.373 3.701 . 0 0 "[ . 1 . 2]" 1
25 1 7 ALA HA 1 10 THR HB 4.200 . 4.200 3.784 3.527 4.090 . 0 0 "[ . 1 . 2]" 1
26 1 7 ALA HA 1 10 THR MG 4.500 . 4.500 1.990 1.876 2.221 . 0 0 "[ . 1 . 2]" 1
27 1 7 ALA HA 1 11 VAL QG 4.300 . 4.300 4.059 3.743 4.373 0.073 19 0 "[ . 1 . 2]" 1
28 1 7 ALA MB 1 8 LYS H 3.900 . 3.900 2.853 2.551 3.019 . 0 0 "[ . 1 . 2]" 1
29 1 7 ALA MB 1 8 LYS HA 4.100 . 4.100 3.975 3.884 4.048 . 0 0 "[ . 1 . 2]" 1
30 1 7 ALA MB 1 8 LYS QG 3.300 . 3.300 3.217 3.022 3.357 0.057 17 0 "[ . 1 . 2]" 1
31 1 8 LYS H 1 8 LYS QB 3.100 . 3.100 2.425 2.338 2.909 . 0 0 "[ . 1 . 2]" 1
32 1 8 LYS H 1 8 LYS QD 4.500 . 4.500 3.810 3.489 4.075 . 0 0 "[ . 1 . 2]" 1
33 1 8 LYS H 1 8 LYS QE 5.500 . 5.500 4.591 3.539 5.198 . 0 0 "[ . 1 . 2]" 1
34 1 8 LYS H 1 8 LYS QG 4.000 . 4.000 2.309 1.790 2.544 0.010 17 0 "[ . 1 . 2]" 1
35 1 8 LYS H 1 9 VAL H 4.800 . 4.800 2.222 2.136 2.415 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS H 1 9 VAL HB 5.500 . 5.500 4.544 4.381 4.771 . 0 0 "[ . 1 . 2]" 1
37 1 8 LYS H 1 10 THR H 4.900 . 4.900 3.954 3.829 4.051 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS HA 1 69 PRO QB 4.000 . 4.000 3.897 3.601 4.185 0.185 17 0 "[ . 1 . 2]" 1
39 1 8 LYS HA 1 11 VAL H 4.700 . 4.700 3.592 3.295 3.911 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS HA 1 11 VAL QG 3.500 . 3.500 2.422 1.963 3.213 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS QD 1 69 PRO QB 4.200 . 4.200 2.001 1.830 2.420 . 0 0 "[ . 1 . 2]" 1
42 1 8 LYS QD 1 70 TRP H 3.700 . 3.700 3.249 2.937 3.742 0.042 1 0 "[ . 1 . 2]" 1
43 1 8 LYS QE 1 69 PRO HA 4.900 . 4.900 4.909 4.453 4.997 0.097 8 0 "[ . 1 . 2]" 1
44 1 8 LYS QE 1 70 TRP HE1 5.100 . 5.100 4.074 3.488 4.520 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL H 1 9 VAL HB 4.000 . 4.000 2.556 2.451 2.666 . 0 0 "[ . 1 . 2]" 1
46 1 9 VAL H 1 9 VAL QG . . 3.500 2.107 2.003 2.271 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL H 1 10 THR H 3.300 . 3.300 2.407 2.316 2.499 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL HA 1 70 TRP HH2 4.100 . 4.100 2.984 2.366 3.698 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL HA 1 70 TRP HZ2 3.900 . 3.900 3.628 2.999 3.952 0.052 20 0 "[ . 1 . 2]" 1
50 1 9 VAL HA 1 105 ILE QG 5.500 . 5.500 3.727 3.307 4.661 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL HA 1 9 VAL QG . . 3.100 2.173 2.131 2.208 . 0 0 "[ . 1 . 2]" 1
52 1 9 VAL HA 1 12 ALA H 4.700 . 4.700 3.581 3.293 3.852 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL HA 1 12 ALA MB 5.200 . 5.200 2.690 2.411 2.988 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL HB 1 70 TRP HZ2 5.500 . 5.500 4.981 4.521 5.427 . 0 0 "[ . 1 . 2]" 1
55 1 9 VAL HB 1 10 THR H 3.800 . 3.800 2.468 2.352 2.562 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL HB 1 10 THR MG 4.800 . 4.800 4.166 4.010 4.357 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL QG 1 100 ASP HA . . 3.700 3.654 3.279 3.795 0.095 3 0 "[ . 1 . 2]" 1
58 1 9 VAL QG 1 10 THR H . . 4.300 3.166 3.125 3.219 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL QG 1 10 THR HA 3.900 . 3.900 3.372 3.187 3.528 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL QG 1 12 ALA MB 4.200 . 4.200 3.431 3.031 3.721 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL QG 1 70 TRP HH2 3.600 . 3.600 2.897 2.166 3.436 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL QG 1 70 TRP HZ2 3.600 . 3.600 2.393 2.151 2.726 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL QG 1 100 ASP QB 3.600 . 3.600 3.277 2.332 3.713 0.113 19 0 "[ . 1 . 2]" 1
64 1 10 THR H 1 10 THR HB 3.400 . 3.400 2.502 2.382 2.650 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR H 1 10 THR MG 4.200 . 4.200 2.128 2.006 2.242 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR H 1 11 VAL H 4.100 . 4.100 2.709 2.637 2.858 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR HA 1 10 THR MG 3.400 . 3.400 3.217 3.196 3.233 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR HB 1 11 VAL H 4.300 . 4.300 4.113 4.006 4.231 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR HB 1 11 VAL QG 5.200 . 5.200 4.794 4.480 5.229 0.029 11 0 "[ . 1 . 2]" 1
70 1 10 THR MG 1 11 VAL H 4.300 . 4.300 2.404 2.250 2.694 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR MG 1 11 VAL HA 4.000 . 4.000 3.464 3.318 3.656 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR MG 1 11 VAL QG 4.000 . 4.000 2.499 2.037 3.255 . 0 0 "[ . 1 . 2]" 1
73 1 11 VAL H 1 11 VAL HB 3.900 . 3.900 3.259 2.441 3.736 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL H 1 11 VAL MG1 4.200 . 4.200 2.629 1.940 3.798 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL H 1 11 VAL MG2 4.200 . 4.200 2.511 2.104 3.822 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL H 1 11 VAL QG 3.200 . 3.200 2.086 1.934 2.359 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL H 1 12 ALA H 3.600 . 3.600 2.404 2.253 2.538 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL HA 1 11 VAL MG1 3.300 . 3.300 2.561 2.381 3.231 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL HA 1 11 VAL MG2 3.300 . 3.300 2.909 2.314 3.267 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL HA 1 11 VAL QG 2.800 . 2.800 2.315 2.139 2.424 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL HA 1 14 GLY H 4.400 . 4.400 3.502 3.323 3.845 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL HB 1 12 ALA H 4.300 . 4.300 3.605 2.311 4.142 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL MG1 1 12 ALA H 4.500 . 4.500 3.504 2.177 3.971 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL MG2 1 12 ALA H 4.500 . 4.500 2.881 2.218 3.851 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL QG 1 74 TYR HH 4.800 . 4.800 4.859 4.609 4.943 0.143 6 0 "[ . 1 . 2]" 1
86 1 11 VAL QG 1 12 ALA H 3.800 . 3.800 2.496 2.159 3.248 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL QG 1 14 GLY H 5.400 . 5.400 4.377 4.041 4.637 . 0 0 "[ . 1 . 2]" 1
88 1 11 VAL QG 1 15 ASP QB 4.400 . 4.400 3.904 2.675 4.439 0.039 9 0 "[ . 1 . 2]" 1
89 1 12 ALA H 1 12 ALA MB 3.500 . 3.500 2.175 2.131 2.222 . 0 0 "[ . 1 . 2]" 1
90 1 12 ALA H 1 13 LYS H 3.800 . 3.800 2.668 2.568 2.769 . 0 0 "[ . 1 . 2]" 1
91 1 12 ALA H 1 13 LYS QG 4.200 . 4.200 4.188 3.994 4.259 0.059 11 0 "[ . 1 . 2]" 1
92 1 12 ALA HA 1 74 TYR HH 4.100 . 4.100 3.356 2.838 3.989 . 0 0 "[ . 1 . 2]" 1
93 1 12 ALA HA 1 15 ASP H 4.500 . 4.500 3.151 2.890 3.330 . 0 0 "[ . 1 . 2]" 1
94 1 12 ALA MB 1 74 TYR HH 4.300 . 4.300 3.953 3.357 4.347 0.047 16 0 "[ . 1 . 2]" 1
95 1 12 ALA MB 1 13 LYS H 3.700 . 3.700 2.580 2.388 2.837 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA MB 1 13 LYS HA 3.700 . 3.700 3.751 3.704 3.790 0.090 1 0 "[ . 1 . 2]" 1
97 1 12 ALA MB 1 15 ASP H 4.800 . 4.800 4.310 4.108 4.478 . 0 0 "[ . 1 . 2]" 1
98 1 12 ALA MB 1 15 ASP QB 4.200 . 4.200 3.786 3.291 4.237 0.037 11 0 "[ . 1 . 2]" 1
99 1 13 LYS H 1 13 LYS QB 3.900 . 3.900 2.476 2.389 2.594 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS H 1 13 LYS QD 3.700 . 3.700 3.589 3.075 3.809 0.109 10 0 "[ . 1 . 2]" 1
101 1 13 LYS H 1 13 LYS QE 5.500 . 5.500 4.581 4.226 4.871 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS H 1 13 LYS QG 4.700 . 4.700 2.189 2.063 2.309 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS H 1 14 GLY H 4.000 . 4.000 2.607 2.577 2.669 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS H 1 16 ILE QG 5.100 . 5.100 4.239 4.155 4.348 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HA 1 16 ILE MD 4.500 . 4.500 2.048 1.947 2.180 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS HA 1 16 ILE MG 4.000 . 4.000 3.519 3.048 3.818 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS QB 1 13 LYS QD 3.200 . 3.200 2.459 2.094 2.855 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS QB 1 14 GLY H 4.500 . 4.500 2.920 2.824 3.078 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS QG 1 14 GLY H 4.500 . 4.500 4.163 4.022 4.227 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLY H 1 15 ASP H 2.700 . 2.700 2.237 2.170 2.387 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLY H 1 15 ASP HA 5.100 . 5.100 4.887 4.819 5.000 . 0 0 "[ . 1 . 2]" 1
112 1 14 GLY H 1 15 ASP QB 5.500 . 5.500 4.256 3.863 4.507 . 0 0 "[ . 1 . 2]" 1
113 1 15 ASP H 1 74 TYR HH 5.100 . 5.100 4.710 4.340 5.120 0.020 1 0 "[ . 1 . 2]" 1
114 1 15 ASP H 1 16 ILE H 3.800 . 3.800 2.439 2.356 2.552 . 0 0 "[ . 1 . 2]" 1
115 1 15 ASP H 1 16 ILE MD 4.900 . 4.900 4.947 4.920 4.977 0.077 10 0 "[ . 1 . 2]" 1
116 1 15 ASP H 1 16 ILE QG 5.000 . 5.000 3.589 3.507 3.688 . 0 0 "[ . 1 . 2]" 1
117 1 15 ASP HA 1 74 TYR HH 4.800 . 4.800 4.803 4.480 4.991 0.191 2 0 "[ . 1 . 2]" 1
118 1 15 ASP HA 1 18 ALA H 4.500 . 4.500 3.026 2.514 3.243 . 0 0 "[ . 1 . 2]" 1
119 1 15 ASP HA 1 18 ALA MB 3.500 . 3.500 2.401 2.118 2.716 . 0 0 "[ . 1 . 2]" 1
120 1 15 ASP QB 1 74 TYR HH 4.000 . 4.000 2.171 1.914 2.545 . 0 0 "[ . 1 . 2]" 1
121 1 15 ASP QB 1 16 ILE H 4.400 . 4.400 2.780 2.381 3.230 . 0 0 "[ . 1 . 2]" 1
122 1 15 ASP QB 1 19 ILE MD 4.500 . 4.500 3.734 3.186 4.379 . 0 0 "[ . 1 . 2]" 1
123 1 16 ILE H 1 74 TYR HH 5.500 . 5.500 4.385 3.891 5.047 . 0 0 "[ . 1 . 2]" 1
124 1 16 ILE H 1 16 ILE HB 3.800 . 3.800 3.670 3.641 3.695 . 0 0 "[ . 1 . 2]" 1
125 1 16 ILE H 1 16 ILE MD 4.100 . 4.100 3.587 3.505 3.676 . 0 0 "[ . 1 . 2]" 1
126 1 16 ILE H 1 16 ILE MG 3.500 . 3.500 2.340 2.208 2.447 . 0 0 "[ . 1 . 2]" 1
127 1 16 ILE H 1 17 LYS H 4.300 . 4.300 2.614 2.479 2.755 . 0 0 "[ . 1 . 2]" 1
128 1 16 ILE H 1 18 ALA H 4.000 . 4.000 3.939 3.786 4.027 0.027 6 0 "[ . 1 . 2]" 1
129 1 16 ILE HA 1 16 ILE MD 4.200 . 4.200 4.207 4.184 4.223 0.023 8 0 "[ . 1 . 2]" 1
130 1 16 ILE HA 1 16 ILE QG 3.400 . 3.400 3.305 3.273 3.338 . 0 0 "[ . 1 . 2]" 1
131 1 16 ILE HA 1 19 ILE H 4.900 . 4.900 3.127 2.839 3.281 . 0 0 "[ . 1 . 2]" 1
132 1 16 ILE HA 1 19 ILE HB 4.900 . 4.900 2.880 2.551 3.334 . 0 0 "[ . 1 . 2]" 1
133 1 16 ILE HA 1 19 ILE MG 4.800 . 4.800 4.184 3.715 4.391 . 0 0 "[ . 1 . 2]" 1
134 1 16 ILE HA 1 20 ALA H 5.100 . 5.100 4.174 3.839 4.503 . 0 0 "[ . 1 . 2]" 1
135 1 16 ILE HB 1 16 ILE MD 3.200 . 3.200 2.497 2.459 2.532 . 0 0 "[ . 1 . 2]" 1
136 1 16 ILE MD 1 105 ILE MD 4.500 . 4.500 2.968 1.934 4.064 . 0 0 "[ . 1 . 2]" 1
137 1 16 ILE MD 1 105 ILE MG 4.900 . 4.900 3.933 3.448 4.284 . 0 0 "[ . 1 . 2]" 1
138 1 16 ILE MD 1 107 ASN QB 4.200 . 4.200 2.490 2.141 3.258 . 0 0 "[ . 1 . 2]" 1
139 1 16 ILE MD 1 108 TRP H 5.500 . 5.500 5.460 5.165 5.556 0.056 16 0 "[ . 1 . 2]" 1
140 1 16 ILE MD 1 17 LYS H 4.100 . 4.100 3.958 3.833 4.127 0.027 13 0 "[ . 1 . 2]" 1
141 1 16 ILE MG 1 74 TYR HH 5.000 . 5.000 3.871 3.310 4.664 . 0 0 "[ . 1 . 2]" 1
142 1 16 ILE MG 1 107 ASN QB 4.400 . 4.400 4.122 3.142 4.492 0.092 9 0 "[ . 1 . 2]" 1
143 1 16 ILE MD 1 16 ILE MG 2.400 . 2.400 1.926 1.860 1.967 . 0 0 "[ . 1 . 2]" 1
144 1 17 LYS H 1 17 LYS QB 3.200 . 3.200 2.179 2.041 2.390 . 0 0 "[ . 1 . 2]" 1
145 1 17 LYS H 1 17 LYS QD 3.400 . 3.400 3.040 2.464 3.617 0.217 1 0 "[ . 1 . 2]" 1
146 1 17 LYS H 1 18 ALA H 3.800 . 3.800 2.476 2.388 2.551 . 0 0 "[ . 1 . 2]" 1
147 1 17 LYS H 1 20 ALA MB 5.300 . 5.300 4.764 4.579 5.261 . 0 0 "[ . 1 . 2]" 1
148 1 17 LYS HA 1 17 LYS QD 3.600 . 3.600 2.149 1.793 2.574 0.007 1 0 "[ . 1 . 2]" 1
149 1 17 LYS HA 1 17 LYS QG 3.500 . 3.500 2.525 2.400 2.944 . 0 0 "[ . 1 . 2]" 1
150 1 17 LYS HA 1 20 ALA H 4.400 . 4.400 3.277 3.066 3.478 . 0 0 "[ . 1 . 2]" 1
151 1 17 LYS HA 1 20 ALA MB 3.200 . 3.200 2.577 2.401 3.076 . 0 0 "[ . 1 . 2]" 1
152 1 17 LYS QB 1 18 ALA H 3.600 . 3.600 2.838 2.621 2.909 . 0 0 "[ . 1 . 2]" 1
153 1 17 LYS QB 1 18 ALA MB 4.000 . 4.000 3.992 3.784 4.067 0.067 11 0 "[ . 1 . 2]" 1
154 1 17 LYS QG 1 18 ALA H 4.700 . 4.700 4.513 4.207 4.707 0.007 5 0 "[ . 1 . 2]" 1
155 1 18 ALA H 1 18 ALA MB 3.100 . 3.100 2.198 2.161 2.247 . 0 0 "[ . 1 . 2]" 1
156 1 18 ALA H 1 19 ILE H 4.000 . 4.000 2.583 2.422 2.667 . 0 0 "[ . 1 . 2]" 1
157 1 18 ALA H 1 19 ILE HA 5.500 . 5.500 5.221 5.085 5.300 . 0 0 "[ . 1 . 2]" 1
158 1 18 ALA HA 1 20 ALA H 5.000 . 5.000 4.411 4.254 4.581 . 0 0 "[ . 1 . 2]" 1
159 1 18 ALA HA 1 21 ALA MB 3.100 . 3.100 2.988 2.652 3.115 0.015 2 0 "[ . 1 . 2]" 1
160 1 18 ALA MB 1 19 ILE H 3.700 . 3.700 2.346 2.164 2.616 . 0 0 "[ . 1 . 2]" 1
161 1 18 ALA MB 1 19 ILE MD 4.000 . 4.000 4.134 4.091 4.198 0.198 19 0 "[ . 1 . 2]" 1
162 1 18 ALA MB 1 63 LYS QB 3.800 . 3.800 3.084 2.370 3.556 . 0 0 "[ . 1 . 2]" 1
163 1 18 ALA MB 1 63 LYS QG 3.100 . 3.100 2.283 1.839 2.988 . 0 0 "[ . 1 . 2]" 1
164 1 19 ILE H 1 19 ILE HB 3.900 . 3.900 2.621 2.435 2.737 . 0 0 "[ . 1 . 2]" 1
165 1 19 ILE H 1 19 ILE MD 4.200 . 4.200 3.421 3.347 3.579 . 0 0 "[ . 1 . 2]" 1
166 1 19 ILE H 1 19 ILE QG 3.500 . 3.500 1.932 1.791 2.283 0.009 11 0 "[ . 1 . 2]" 1
167 1 19 ILE H 1 19 ILE MG 4.000 . 4.000 3.766 3.736 3.782 . 0 0 "[ . 1 . 2]" 1
168 1 19 ILE H 1 20 ALA H 4.200 . 4.200 2.626 2.542 2.741 . 0 0 "[ . 1 . 2]" 1
169 1 19 ILE HA 1 19 ILE MD 4.000 . 4.000 3.786 2.181 3.933 . 0 0 "[ . 1 . 2]" 1
170 1 19 ILE HA 1 19 ILE MG 3.700 . 3.700 2.341 2.268 2.528 . 0 0 "[ . 1 . 2]" 1
171 1 19 ILE HA 1 22 ALA H 4.400 . 4.400 3.155 2.953 3.447 . 0 0 "[ . 1 . 2]" 1
172 1 19 ILE HA 1 22 ALA MB 3.900 . 3.900 2.555 2.288 3.065 . 0 0 "[ . 1 . 2]" 1
173 1 19 ILE HA 1 62 LEU QD 4.300 . 4.300 3.420 2.432 4.349 0.049 16 0 "[ . 1 . 2]" 1
174 1 19 ILE HA 1 63 LYS QG 5.400 . 5.400 4.218 3.267 5.087 . 0 0 "[ . 1 . 2]" 1
175 1 19 ILE HB 1 20 ALA H 4.100 . 4.100 2.607 2.393 2.787 . 0 0 "[ . 1 . 2]" 1
176 1 19 ILE MD 1 74 TYR HH 5.500 . 5.500 3.907 3.124 5.182 . 0 0 "[ . 1 . 2]" 1
177 1 19 ILE MD 1 87 LEU MD1 4.200 . 4.200 2.061 1.823 2.927 . 0 0 "[ . 1 . 2]" 1
178 1 19 ILE MD 1 87 LEU MD2 4.200 . 4.200 2.753 2.125 4.221 0.021 15 0 "[ . 1 . 2]" 1
179 1 19 ILE MD 1 88 TYR H 4.900 . 4.900 4.998 4.910 5.049 0.149 7 0 "[ . 1 . 2]" 1
180 1 19 ILE MD 1 20 ALA H 5.500 . 5.500 4.462 4.203 4.738 . 0 0 "[ . 1 . 2]" 1
181 1 19 ILE MD 1 62 LEU QD 3.800 . 3.800 2.392 1.838 2.940 . 0 0 "[ . 1 . 2]" 1
182 1 19 ILE MG 1 87 LEU MD1 3.700 . 3.700 2.561 2.093 3.041 . 0 0 "[ . 1 . 2]" 1
183 1 19 ILE MG 1 87 LEU MD2 3.700 . 3.700 2.127 1.909 3.190 . 0 0 "[ . 1 . 2]" 1
184 1 19 ILE MG 1 87 LEU QD 3.100 . 3.100 1.968 1.814 2.366 . 0 0 "[ . 1 . 2]" 1
185 1 19 ILE MD 1 19 ILE MG 3.400 . 3.400 2.011 1.971 2.074 . 0 0 "[ . 1 . 2]" 1
186 1 19 ILE MG 1 20 ALA H 3.600 . 3.600 3.568 3.046 3.634 0.034 15 0 "[ . 1 . 2]" 1
187 1 19 ILE MG 1 23 LEU H 5.500 . 5.500 3.627 3.383 3.839 . 0 0 "[ . 1 . 2]" 1
188 1 19 ILE MG 1 23 LEU HG 4.700 . 4.700 3.925 3.239 4.554 . 0 0 "[ . 1 . 2]" 1
189 1 19 ILE MG 1 23 LEU QD 4.500 . 4.500 3.179 2.569 3.654 . 0 0 "[ . 1 . 2]" 1
190 1 20 ALA H 1 20 ALA MB 3.300 . 3.300 2.242 2.207 2.267 . 0 0 "[ . 1 . 2]" 1
191 1 20 ALA H 1 21 ALA H 3.800 . 3.800 2.693 2.641 2.795 . 0 0 "[ . 1 . 2]" 1
192 1 20 ALA H 1 22 ALA H 5.500 . 5.500 4.080 3.920 4.356 . 0 0 "[ . 1 . 2]" 1
193 1 20 ALA HA 1 85 PHE HZ 4.600 . 4.600 3.291 2.268 4.123 . 0 0 "[ . 1 . 2]" 1
194 1 20 ALA HA 1 85 PHE QE 4.300 . 4.300 3.384 2.605 3.773 . 0 0 "[ . 1 . 2]" 1
195 1 20 ALA HA 1 23 LEU H 3.800 . 3.800 3.489 3.106 3.800 . 0 0 "[ . 1 . 2]" 1
196 1 20 ALA HA 1 23 LEU QD 4.800 . 4.800 4.113 3.690 4.608 . 0 0 "[ . 1 . 2]" 1
197 1 20 ALA MB 1 85 PHE HZ 4.200 . 4.200 2.866 2.229 3.765 . 0 0 "[ . 1 . 2]" 1
198 1 20 ALA MB 1 85 PHE QD 5.500 . 5.500 5.072 4.386 5.576 0.076 13 0 "[ . 1 . 2]" 1
199 1 20 ALA MB 1 85 PHE QE 4.100 . 4.100 3.264 2.567 3.761 . 0 0 "[ . 1 . 2]" 1
200 1 20 ALA MB 1 21 ALA H 3.600 . 3.600 2.787 2.659 2.922 . 0 0 "[ . 1 . 2]" 1
201 1 20 ALA MB 1 21 ALA MB 3.900 . 3.900 3.706 3.587 3.837 . 0 0 "[ . 1 . 2]" 1
202 1 20 ALA MB 1 23 LEU H 4.800 . 4.800 4.645 4.367 4.820 0.020 16 0 "[ . 1 . 2]" 1
203 1 20 ALA MB 1 23 LEU QD 5.400 . 5.400 4.785 4.302 5.320 . 0 0 "[ . 1 . 2]" 1
204 1 21 ALA H 1 21 ALA MB 3.000 . 3.000 2.265 2.238 2.288 . 0 0 "[ . 1 . 2]" 1
205 1 21 ALA H 1 22 ALA H 3.800 . 3.800 2.308 2.208 2.549 . 0 0 "[ . 1 . 2]" 1
206 1 21 ALA H 1 23 LEU H 4.900 . 4.900 3.760 3.602 3.952 . 0 0 "[ . 1 . 2]" 1
207 1 21 ALA HA 1 24 ASP QB 3.400 . 3.400 2.648 2.337 2.932 . 0 0 "[ . 1 . 2]" 1
208 1 21 ALA HA 1 25 MET H 4.900 . 4.900 4.803 4.587 4.905 0.005 13 0 "[ . 1 . 2]" 1
209 1 21 ALA MB 1 24 ASP H 5.200 . 5.200 4.550 4.376 4.783 . 0 0 "[ . 1 . 2]" 1
210 1 22 ALA H 1 22 ALA MB 3.200 . 3.200 2.267 2.218 2.297 . 0 0 "[ . 1 . 2]" 1
211 1 22 ALA H 1 23 LEU H 3.900 . 3.900 2.394 2.265 2.513 . 0 0 "[ . 1 . 2]" 1
212 1 22 ALA H 1 23 LEU QB 4.600 . 4.600 4.030 3.887 4.162 . 0 0 "[ . 1 . 2]" 1
213 1 22 ALA H 1 63 LYS QG 5.500 . 5.500 4.555 3.811 5.472 . 0 0 "[ . 1 . 2]" 1
214 1 22 ALA HA 1 25 MET HA 5.500 . 5.500 4.751 4.573 5.029 . 0 0 "[ . 1 . 2]" 1
215 1 22 ALA HA 1 61 TYR QB 5.000 . 5.000 4.089 3.910 4.295 . 0 0 "[ . 1 . 2]" 1
216 1 22 ALA MB 1 23 LEU H 3.500 . 3.500 2.769 2.697 2.848 . 0 0 "[ . 1 . 2]" 1
217 1 22 ALA MB 1 24 ASP H 5.500 . 5.500 4.370 4.288 4.470 . 0 0 "[ . 1 . 2]" 1
218 1 22 ALA MB 1 25 MET QB 4.400 . 4.400 3.301 3.121 3.636 . 0 0 "[ . 1 . 2]" 1
219 1 22 ALA MB 1 61 TYR HB2 3.900 . 3.900 3.949 3.710 4.034 0.134 6 0 "[ . 1 . 2]" 1
220 1 22 ALA MB 1 61 TYR HB3 3.900 . 3.900 2.485 2.225 2.579 . 0 0 "[ . 1 . 2]" 1
221 1 23 LEU H 1 23 LEU HG 4.400 . 4.400 4.421 4.158 4.447 0.047 16 0 "[ . 1 . 2]" 1
222 1 23 LEU H 1 23 LEU QB 3.900 . 3.900 2.085 2.039 2.125 . 0 0 "[ . 1 . 2]" 1
223 1 23 LEU H 1 23 LEU MD1 4.500 . 4.500 4.271 4.141 4.316 . 0 0 "[ . 1 . 2]" 1
224 1 23 LEU H 1 23 LEU MD2 4.500 . 4.500 3.805 3.453 4.331 . 0 0 "[ . 1 . 2]" 1
225 1 23 LEU H 1 24 ASP H 4.200 . 4.200 2.455 2.361 2.538 . 0 0 "[ . 1 . 2]" 1
226 1 23 LEU H 1 61 TYR QB 5.100 . 5.100 3.707 3.498 4.082 . 0 0 "[ . 1 . 2]" 1
227 1 23 LEU HA 1 23 LEU MD1 4.300 . 4.300 2.861 2.441 3.783 . 0 0 "[ . 1 . 2]" 1
228 1 23 LEU HA 1 23 LEU MD2 4.300 . 4.300 2.014 1.949 2.509 . 0 0 "[ . 1 . 2]" 1
229 1 23 LEU HA 1 23 LEU QD 3.500 . 3.500 1.974 1.881 2.475 . 0 0 "[ . 1 . 2]" 1
230 1 23 LEU HA 1 26 TYR H 3.800 . 3.800 3.046 2.823 3.207 . 0 0 "[ . 1 . 2]" 1
231 1 23 LEU HA 1 33 TYR QD 5.000 . 5.000 5.032 4.885 5.092 0.092 16 0 "[ . 1 . 2]" 1
232 1 23 LEU HA 1 33 TYR QE 5.500 . 5.500 4.612 4.132 4.836 . 0 0 "[ . 1 . 2]" 1
233 1 23 LEU HG 1 43 LEU QD 5.400 . 5.400 4.065 2.833 4.603 . 0 0 "[ . 1 . 2]" 1
234 1 23 LEU QB 1 85 PHE QE 4.100 . 4.100 3.658 2.669 4.070 . 0 0 "[ . 1 . 2]" 1
235 1 23 LEU QB 1 24 ASP H 3.700 . 3.700 2.709 2.602 2.857 . 0 0 "[ . 1 . 2]" 1
236 1 23 LEU QB 1 33 TYR QE 3.800 . 3.800 3.518 2.819 3.835 0.035 19 0 "[ . 1 . 2]" 1
237 1 23 LEU MD1 1 24 ASP H 5.500 . 5.500 3.982 3.706 4.911 . 0 0 "[ . 1 . 2]" 1
238 1 23 LEU MD1 1 33 TYR QD 4.300 . 4.300 2.300 2.043 4.097 . 0 0 "[ . 1 . 2]" 1
239 1 23 LEU MD1 1 33 TYR QE 4.300 . 4.300 2.261 2.007 4.310 0.010 11 0 "[ . 1 . 2]" 1
240 1 23 LEU MD2 1 24 ASP H 5.500 . 5.500 4.612 4.141 4.699 . 0 0 "[ . 1 . 2]" 1
241 1 23 LEU MD2 1 33 TYR QD 4.300 . 4.300 3.925 2.077 4.357 0.057 3 0 "[ . 1 . 2]" 1
242 1 23 LEU MD2 1 33 TYR QE 4.300 . 4.300 4.296 2.642 4.430 0.130 17 0 "[ . 1 . 2]" 1
243 1 23 LEU QD 1 85 PHE HZ 4.700 . 4.700 4.038 3.488 4.384 . 0 0 "[ . 1 . 2]" 1
244 1 23 LEU QD 1 85 PHE QB 4.300 . 4.300 2.642 2.327 2.984 . 0 0 "[ . 1 . 2]" 1
245 1 23 LEU QD 1 85 PHE QD 4.300 . 4.300 2.732 2.319 3.042 . 0 0 "[ . 1 . 2]" 1
246 1 23 LEU QD 1 85 PHE QE 4.000 . 4.000 3.142 2.708 3.497 . 0 0 "[ . 1 . 2]" 1
247 1 23 LEU QD 1 87 LEU QD 5.400 . 5.400 3.346 1.980 3.994 . 0 0 "[ . 1 . 2]" 1
248 1 23 LEU QD 1 27 LYS QB 4.800 . 4.800 3.394 3.219 3.509 . 0 0 "[ . 1 . 2]" 1
249 1 23 LEU QD 1 27 LYS QD 4.400 . 4.400 4.294 3.825 4.430 0.030 9 0 "[ . 1 . 2]" 1
250 1 23 LEU QD 1 33 TYR QD 3.600 . 3.600 2.188 2.040 2.369 . 0 0 "[ . 1 . 2]" 1
251 1 23 LEU QD 1 43 LEU QD 3.600 . 3.600 2.156 1.899 2.543 . 0 0 "[ . 1 . 2]" 1
252 1 24 ASP H 1 24 ASP QB 3.600 . 3.600 2.255 2.199 2.437 . 0 0 "[ . 1 . 2]" 1
253 1 24 ASP H 1 25 MET H 4.000 . 4.000 2.480 2.370 2.576 . 0 0 "[ . 1 . 2]" 1
254 1 24 ASP H 1 25 MET HA 5.300 . 5.300 5.101 5.023 5.172 . 0 0 "[ . 1 . 2]" 1
255 1 24 ASP H 1 25 MET QB 4.700 . 4.700 4.540 4.261 4.724 0.024 2 0 "[ . 1 . 2]" 1
256 1 24 ASP H 1 27 LYS QD 5.500 . 5.500 5.021 4.504 5.580 0.080 19 0 "[ . 1 . 2]" 1
257 1 24 ASP H 1 33 TYR QE 4.400 . 4.400 4.131 3.794 4.350 . 0 0 "[ . 1 . 2]" 1
258 1 24 ASP HA 1 27 LYS H 4.600 . 4.600 3.160 3.028 3.314 . 0 0 "[ . 1 . 2]" 1
259 1 24 ASP HA 1 27 LYS QB 5.000 . 5.000 2.113 1.861 3.218 . 0 0 "[ . 1 . 2]" 1
260 1 24 ASP HA 1 28 LEU H 5.200 . 5.200 4.322 4.135 4.466 . 0 0 "[ . 1 . 2]" 1
261 1 24 ASP HA 1 33 TYR QD 4.800 . 4.800 4.510 3.945 4.863 0.063 17 0 "[ . 1 . 2]" 1
262 1 24 ASP HA 1 33 TYR QE 3.500 . 3.500 2.662 1.998 3.018 . 0 0 "[ . 1 . 2]" 1
263 1 24 ASP QB 1 25 MET H 4.300 . 4.300 2.950 2.689 3.119 . 0 0 "[ . 1 . 2]" 1
264 1 25 MET H 1 25 MET QB 2.900 . 2.900 2.424 2.267 2.545 . 0 0 "[ . 1 . 2]" 1
265 1 25 MET H 1 26 TYR H 4.000 . 4.000 2.418 2.365 2.490 . 0 0 "[ . 1 . 2]" 1
266 1 25 MET H 1 27 LYS H 4.400 . 4.400 3.660 3.483 3.847 . 0 0 "[ . 1 . 2]" 1
267 1 25 MET HA 1 27 LYS H 4.700 . 4.700 4.140 3.911 4.292 . 0 0 "[ . 1 . 2]" 1
268 1 25 MET HA 1 27 LYS QG 5.400 . 5.400 5.339 4.287 5.530 0.130 2 0 "[ . 1 . 2]" 1
269 1 25 MET HA 1 28 LEU H 3.900 . 3.900 2.941 2.679 3.221 . 0 0 "[ . 1 . 2]" 1
270 1 25 MET HA 1 28 LEU HG 5.500 . 5.500 4.310 2.493 5.501 0.001 18 0 "[ . 1 . 2]" 1
271 1 25 MET HA 1 28 LEU QB 3.400 . 3.400 2.514 2.181 2.949 . 0 0 "[ . 1 . 2]" 1
272 1 25 MET HA 1 28 LEU QD 3.500 . 3.500 3.030 2.453 3.514 0.014 11 0 "[ . 1 . 2]" 1
273 1 25 MET HA 1 29 ASP H 4.800 . 4.800 4.130 3.933 4.271 . 0 0 "[ . 1 . 2]" 1
274 1 25 MET HB2 1 26 TYR H 4.300 . 4.300 3.036 2.621 4.037 . 0 0 "[ . 1 . 2]" 1
275 1 25 MET HB3 1 26 TYR H 4.300 . 4.300 3.627 2.702 3.943 . 0 0 "[ . 1 . 2]" 1
276 1 25 MET QB 1 26 TYR H 3.600 . 3.600 2.776 2.568 2.972 . 0 0 "[ . 1 . 2]" 1
277 1 25 MET QB 1 61 TYR HH 5.200 . 5.200 4.544 3.838 5.217 0.017 19 0 "[ . 1 . 2]" 1
278 1 25 MET QB 1 61 TYR QE 5.300 . 5.300 2.451 2.170 2.791 . 0 0 "[ . 1 . 2]" 1
279 1 26 TYR H 1 26 TYR QB 3.900 . 3.900 2.315 2.256 2.366 . 0 0 "[ . 1 . 2]" 1
280 1 26 TYR H 1 26 TYR QD 4.700 . 4.700 4.275 4.226 4.314 . 0 0 "[ . 1 . 2]" 1
281 1 26 TYR H 1 27 LYS H 4.500 . 4.500 2.497 2.431 2.631 . 0 0 "[ . 1 . 2]" 1
282 1 26 TYR H 1 33 TYR QE 5.500 . 5.500 5.343 5.045 5.520 0.020 5 0 "[ . 1 . 2]" 1
283 1 26 TYR H 1 43 LEU QD 5.400 . 5.400 5.067 4.598 5.427 0.027 17 0 "[ . 1 . 2]" 1
284 1 26 TYR H 1 61 TYR QB 5.300 . 5.300 3.695 3.327 4.017 . 0 0 "[ . 1 . 2]" 1
285 1 26 TYR H 1 61 TYR QE 5.500 . 5.500 4.002 3.628 4.479 . 0 0 "[ . 1 . 2]" 1
286 1 26 TYR HA 1 26 TYR QE 4.500 . 4.500 4.531 4.468 4.588 0.088 20 0 "[ . 1 . 2]" 1
287 1 26 TYR HA 1 27 LYS HA 5.000 . 5.000 4.867 4.620 4.955 . 0 0 "[ . 1 . 2]" 1
288 1 26 TYR HA 1 56 TRP HD1 4.600 . 4.600 4.724 4.647 4.811 0.211 9 0 "[ . 1 . 2]" 1
289 1 26 TYR HH 1 34 PRO HA 4.600 . 4.600 4.464 4.174 4.625 0.025 18 0 "[ . 1 . 2]" 1
290 1 26 TYR HH 1 42 ALA MB 5.300 . 5.300 2.124 1.694 2.972 0.106 20 0 "[ . 1 . 2]" 1
291 1 26 TYR HH 1 47 PRO QB 4.800 . 4.800 2.503 2.011 3.323 . 0 0 "[ . 1 . 2]" 1
292 1 26 TYR HH 1 56 TRP HD1 4.900 . 4.900 4.844 4.459 4.988 0.088 1 0 "[ . 1 . 2]" 1
293 1 26 TYR HH 1 56 TRP HE1 5.300 . 5.300 4.290 3.492 5.213 . 0 0 "[ . 1 . 2]" 1
294 1 26 TYR QB 1 30 ASN H 5.500 . 5.500 4.998 4.843 5.216 . 0 0 "[ . 1 . 2]" 1
295 1 26 TYR QB 1 61 TYR QB 4.100 . 4.100 2.763 2.326 3.249 . 0 0 "[ . 1 . 2]" 1
296 1 26 TYR QD 1 30 ASN H 5.300 . 5.300 4.241 3.374 4.446 . 0 0 "[ . 1 . 2]" 1
297 1 26 TYR QD 1 32 ALA H 4.900 . 4.900 4.839 4.254 4.976 0.076 2 0 "[ . 1 . 2]" 1
298 1 26 TYR QD 1 32 ALA MB 5.300 . 5.300 5.285 4.895 5.384 0.084 3 0 "[ . 1 . 2]" 1
299 1 26 TYR QD 1 42 ALA MB 4.600 . 4.600 4.690 4.603 4.766 0.166 16 0 "[ . 1 . 2]" 1
300 1 26 TYR QD 1 43 LEU QD 4.400 . 4.400 2.866 2.155 3.153 . 0 0 "[ . 1 . 2]" 1
301 1 26 TYR QD 1 51 PRO QB 5.400 . 5.400 5.598 5.542 5.698 0.298 10 0 "[ . 1 . 2]" 1
302 1 26 TYR QD 1 56 TRP HD1 4.300 . 4.300 2.878 2.535 3.849 . 0 0 "[ . 1 . 2]" 1
303 1 26 TYR QD 1 56 TRP HE1 3.700 . 3.700 3.410 3.188 3.705 0.005 20 0 "[ . 1 . 2]" 1
304 1 26 TYR QD 1 61 TYR QD 5.400 . 5.400 2.520 2.086 3.032 . 0 0 "[ . 1 . 2]" 1
305 1 26 TYR QE 1 30 ASN H 4.800 . 4.800 4.790 4.389 4.912 0.112 8 0 "[ . 1 . 2]" 1
306 1 26 TYR QE 1 30 ASN QB 4.700 . 4.700 2.911 2.214 3.266 . 0 0 "[ . 1 . 2]" 1
307 1 26 TYR QE 1 56 TRP HE1 3.800 . 3.800 2.331 1.941 2.791 . 0 0 "[ . 1 . 2]" 1
308 1 26 TYR QE 1 61 TYR QB 5.300 . 5.300 5.466 5.371 5.555 0.255 8 0 "[ . 1 . 2]" 1
309 1 27 LYS H 1 27 LYS HB2 3.900 . 3.900 2.668 2.365 3.684 . 0 0 "[ . 1 . 2]" 1
310 1 27 LYS H 1 27 LYS HB3 3.900 . 3.900 2.340 2.162 2.532 . 0 0 "[ . 1 . 2]" 1
311 1 27 LYS H 1 27 LYS QB 3.400 . 3.400 2.182 2.042 2.479 . 0 0 "[ . 1 . 2]" 1
312 1 27 LYS H 1 27 LYS QD 4.800 . 4.800 4.218 3.968 4.593 . 0 0 "[ . 1 . 2]" 1
313 1 27 LYS H 1 27 LYS QG 4.500 . 4.500 3.794 2.674 3.985 . 0 0 "[ . 1 . 2]" 1
314 1 27 LYS H 1 28 LEU H 3.800 . 3.800 2.732 2.480 2.841 . 0 0 "[ . 1 . 2]" 1
315 1 27 LYS H 1 29 ASP H 5.000 . 5.000 3.970 3.874 4.042 . 0 0 "[ . 1 . 2]" 1
316 1 27 LYS H 1 33 TYR QD 4.200 . 4.200 3.939 3.644 4.205 0.005 15 0 "[ . 1 . 2]" 1
317 1 27 LYS H 1 33 TYR QE 3.800 . 3.800 3.762 3.465 3.889 0.089 5 0 "[ . 1 . 2]" 1
318 1 27 LYS HA 1 27 LYS QG 4.000 . 4.000 2.709 2.502 3.366 . 0 0 "[ . 1 . 2]" 1
319 1 27 LYS HA 1 29 ASP H 4.400 . 4.400 4.376 4.203 4.455 0.055 6 0 "[ . 1 . 2]" 1
320 1 27 LYS HA 1 30 ASN H 5.500 . 5.500 3.814 3.508 3.983 . 0 0 "[ . 1 . 2]" 1
321 1 27 LYS HA 1 31 PHE H 4.700 . 4.700 4.565 4.320 4.707 0.007 7 0 "[ . 1 . 2]" 1
322 1 27 LYS HA 1 32 ALA H 3.500 . 3.500 2.677 2.442 2.900 . 0 0 "[ . 1 . 2]" 1
323 1 27 LYS HA 1 33 TYR QD 4.300 . 4.300 3.634 3.359 3.828 . 0 0 "[ . 1 . 2]" 1
324 1 27 LYS HA 1 33 TYR QE 4.300 . 4.300 4.382 4.332 4.498 0.198 17 0 "[ . 1 . 2]" 1
325 1 27 LYS HB2 1 33 TYR QE 4.200 . 4.200 2.466 2.202 3.868 . 0 0 "[ . 1 . 2]" 1
326 1 27 LYS HB3 1 33 TYR QE 4.200 . 4.200 3.330 2.312 3.732 . 0 0 "[ . 1 . 2]" 1
327 1 27 LYS QB 1 27 LYS QD 3.200 . 3.200 2.073 1.978 2.271 . 0 0 "[ . 1 . 2]" 1
328 1 27 LYS QB 1 33 TYR QD 4.100 . 4.100 2.735 2.383 3.083 . 0 0 "[ . 1 . 2]" 1
329 1 27 LYS QB 1 33 TYR QE 3.600 . 3.600 2.289 2.177 2.440 . 0 0 "[ . 1 . 2]" 1
330 1 27 LYS QD 1 85 PHE QD 5.500 . 5.500 5.521 5.374 5.569 0.069 2 0 "[ . 1 . 2]" 1
331 1 27 LYS QD 1 33 TYR QD 3.900 . 3.900 3.742 3.527 3.905 0.005 18 0 "[ . 1 . 2]" 1
332 1 27 LYS QD 1 33 TYR QE 4.300 . 4.300 2.670 2.226 2.851 . 0 0 "[ . 1 . 2]" 1
333 1 27 LYS QG 1 31 PHE H 5.400 . 5.400 5.143 4.901 5.482 0.082 17 0 "[ . 1 . 2]" 1
334 1 27 LYS QG 1 31 PHE HA 5.000 . 5.000 4.157 3.941 4.730 . 0 0 "[ . 1 . 2]" 1
335 1 27 LYS QG 1 32 ALA H 4.500 . 4.500 3.624 3.140 4.516 0.016 17 0 "[ . 1 . 2]" 1
336 1 27 LYS QG 1 32 ALA HA 5.500 . 5.500 3.575 2.832 5.089 . 0 0 "[ . 1 . 2]" 1
337 1 27 LYS QG 1 33 TYR QD 5.000 . 5.000 4.037 3.765 4.573 . 0 0 "[ . 1 . 2]" 1
338 1 27 LYS QG 1 33 TYR QE 5.000 . 5.000 3.804 3.577 3.965 . 0 0 "[ . 1 . 2]" 1
339 1 28 LEU H 1 28 LEU HG 4.500 . 4.500 3.968 2.481 4.465 . 0 0 "[ . 1 . 2]" 1
340 1 28 LEU H 1 28 LEU QB 2.800 . 2.800 2.273 2.188 2.519 . 0 0 "[ . 1 . 2]" 1
341 1 28 LEU H 1 28 LEU QD 4.000 . 4.000 3.268 2.448 3.787 . 0 0 "[ . 1 . 2]" 1
342 1 28 LEU H 1 29 ASP H 3.500 . 3.500 2.446 2.328 2.602 . 0 0 "[ . 1 . 2]" 1
343 1 28 LEU H 1 30 ASN H 5.500 . 5.500 4.071 3.881 4.176 . 0 0 "[ . 1 . 2]" 1
344 1 28 LEU HA 1 28 LEU HG 3.600 . 3.600 3.273 2.504 3.673 0.073 16 0 "[ . 1 . 2]" 1
345 1 28 LEU HA 1 28 LEU QD 3.200 . 3.200 2.095 1.897 2.438 . 0 0 "[ . 1 . 2]" 1
346 1 28 LEU HG 1 54 LYS QE 3.900 . 3.900 3.562 2.031 3.959 0.059 13 0 "[ . 1 . 2]" 1
347 1 28 LEU QB 1 28 LEU HG 2.600 . 2.600 2.303 2.135 2.375 . 0 0 "[ . 1 . 2]" 1
348 1 28 LEU QB 1 29 ASP H 3.600 . 3.600 2.799 2.615 3.093 . 0 0 "[ . 1 . 2]" 1
349 1 28 LEU QB 1 54 LYS QG 4.200 . 4.200 3.735 2.866 4.310 0.110 16 0 "[ . 1 . 2]" 1
350 1 28 LEU QD 1 29 ASP H 4.600 . 4.600 4.056 3.932 4.260 . 0 0 "[ . 1 . 2]" 1
351 1 29 ASP H 1 29 ASP HB2 4.100 . 4.100 2.555 2.294 2.695 . 0 0 "[ . 1 . 2]" 1
352 1 29 ASP H 1 29 ASP HB3 4.100 . 4.100 2.427 2.305 2.576 . 0 0 "[ . 1 . 2]" 1
353 1 29 ASP H 1 29 ASP QB 3.600 . 3.600 2.206 2.116 2.302 . 0 0 "[ . 1 . 2]" 1
354 1 29 ASP H 1 30 ASN H 3.500 . 3.500 2.557 2.479 2.643 . 0 0 "[ . 1 . 2]" 1
355 1 29 ASP H 1 61 TYR HH 5.200 . 5.200 5.128 4.844 5.262 0.062 17 0 "[ . 1 . 2]" 1
356 1 29 ASP H 1 61 TYR QE 5.400 . 5.400 5.225 4.866 5.477 0.077 18 0 "[ . 1 . 2]" 1
357 1 29 ASP HA 1 61 TYR HH 5.300 . 5.300 5.144 4.518 5.454 0.154 8 0 "[ . 1 . 2]" 1
358 1 29 ASP HB2 1 61 TYR HH 5.200 . 5.200 2.960 2.580 3.150 . 0 0 "[ . 1 . 2]" 1
359 1 29 ASP HB3 1 61 TYR HH 5.200 . 5.200 3.668 3.120 4.298 . 0 0 "[ . 1 . 2]" 1
360 1 29 ASP QB 1 52 GLN H 5.300 . 5.300 4.812 4.592 5.090 . 0 0 "[ . 1 . 2]" 1
361 1 29 ASP QB 1 54 LYS QG 3.600 . 3.600 3.246 2.476 3.680 0.080 2 0 "[ . 1 . 2]" 1
362 1 29 ASP QB 1 61 TYR HH 4.400 . 4.400 2.827 2.504 3.053 . 0 0 "[ . 1 . 2]" 1
363 1 29 ASP QB 1 61 TYR QE 5.300 . 5.300 3.548 3.103 3.844 . 0 0 "[ . 1 . 2]" 1
364 1 30 ASN H 1 30 ASN QB 3.300 . 3.300 2.569 2.368 2.746 . 0 0 "[ . 1 . 2]" 1
365 1 30 ASN H 1 30 ASN QD 4.600 . 4.600 3.526 2.548 4.691 0.091 5 0 "[ . 1 . 2]" 1
366 1 30 ASN H 1 32 ALA H 5.300 . 5.300 3.376 3.238 3.478 . 0 0 "[ . 1 . 2]" 1
367 1 30 ASN HA 1 30 ASN QD 4.200 . 4.200 3.022 1.781 3.854 0.019 1 0 "[ . 1 . 2]" 1
368 1 30 ASN HA 1 31 PHE HD1 5.000 . 5.000 5.209 5.105 5.263 0.263 15 0 "[ . 1 . 2]" 1
369 1 30 ASN HA 1 31 PHE HD2 5.100 . 5.100 3.418 3.262 3.528 . 0 0 "[ . 1 . 2]" 1
370 1 30 ASN HA 1 31 PHE QE 4.800 . 4.800 3.698 3.489 3.829 . 0 0 "[ . 1 . 2]" 1
371 1 30 ASN HA 1 32 ALA H 4.700 . 4.700 4.551 4.439 4.643 . 0 0 "[ . 1 . 2]" 1
372 1 30 ASN HA 1 51 PRO QB 3.700 . 3.700 3.168 2.766 3.475 . 0 0 "[ . 1 . 2]" 1
373 1 30 ASN QB 1 30 ASN HD22 3.800 . 3.800 3.383 3.204 3.518 . 0 0 "[ . 1 . 2]" 1
374 1 30 ASN QB 1 31 PHE H 4.000 . 4.000 3.537 3.292 3.636 . 0 0 "[ . 1 . 2]" 1
375 1 30 ASN QB 1 31 PHE HD1 4.800 . 4.800 4.913 4.828 5.007 0.207 15 0 "[ . 1 . 2]" 1
376 1 30 ASN QB 1 31 PHE HD2 4.800 . 4.800 4.940 4.878 5.049 0.249 1 0 "[ . 1 . 2]" 1
377 1 30 ASN QB 1 51 PRO QB 3.700 . 3.700 3.698 3.451 3.803 0.103 19 0 "[ . 1 . 2]" 1
378 1 30 ASN QD 1 51 PRO QB 4.100 . 4.100 2.595 1.868 4.150 0.050 5 0 "[ . 1 . 2]" 1
379 1 31 PHE H 1 31 PHE HD1 4.800 . 4.800 4.832 4.808 4.854 0.054 11 0 "[ . 1 . 2]" 1
380 1 31 PHE H 1 31 PHE HD2 4.800 . 4.800 3.292 3.201 3.411 . 0 0 "[ . 1 . 2]" 1
381 1 31 PHE H 1 31 PHE QB 3.800 . 3.800 2.952 2.917 2.984 . 0 0 "[ . 1 . 2]" 1
382 1 31 PHE H 1 31 PHE QE 4.900 . 4.900 4.963 4.922 5.011 0.111 19 0 "[ . 1 . 2]" 1
383 1 31 PHE H 1 32 ALA H 3.300 . 3.300 2.980 2.911 3.072 . 0 0 "[ . 1 . 2]" 1
384 1 31 PHE HA 1 31 PHE HD1 4.100 . 4.100 4.146 4.112 4.176 0.076 11 0 "[ . 1 . 2]" 1
385 1 31 PHE HA 1 31 PHE HD2 4.100 . 4.100 4.042 3.983 4.090 . 0 0 "[ . 1 . 2]" 1
386 1 31 PHE HA 1 32 ALA H 3.600 . 3.600 2.807 2.728 2.872 . 0 0 "[ . 1 . 2]" 1
387 1 31 PHE HD1 1 32 ALA MB 5.400 . 5.400 2.806 2.593 3.047 . 0 0 "[ . 1 . 2]" 1
388 1 31 PHE HD2 1 32 ALA MB 5.400 . 5.400 5.535 5.482 5.579 0.179 11 0 "[ . 1 . 2]" 1
389 1 31 PHE QB 1 32 ALA H 4.300 . 4.300 4.022 3.994 4.063 . 0 0 "[ . 1 . 2]" 1
390 1 31 PHE QB 1 32 ALA MB 4.500 . 4.500 3.933 3.860 4.018 . 0 0 "[ . 1 . 2]" 1
391 1 32 ALA H 1 32 ALA MB 3.100 . 3.100 2.812 2.767 2.848 . 0 0 "[ . 1 . 2]" 1
392 1 32 ALA HA 1 33 TYR H 3.400 . 3.400 2.322 2.252 2.394 . 0 0 "[ . 1 . 2]" 1
393 1 32 ALA HA 1 33 TYR QD 4.800 . 4.800 4.822 4.720 4.865 0.065 7 0 "[ . 1 . 2]" 1
394 1 32 ALA MB 1 33 TYR H 3.200 . 3.200 2.612 2.518 2.778 . 0 0 "[ . 1 . 2]" 1
395 1 32 ALA MB 1 33 TYR HB2 4.800 . 4.800 4.316 4.212 4.438 . 0 0 "[ . 1 . 2]" 1
396 1 32 ALA MB 1 33 TYR QD 5.200 . 5.200 5.027 4.950 5.129 . 0 0 "[ . 1 . 2]" 1
397 1 33 TYR H 1 33 TYR HB2 4.000 . 4.000 2.296 2.180 2.386 . 0 0 "[ . 1 . 2]" 1
398 1 33 TYR H 1 33 TYR HB3 4.100 . 4.100 3.552 3.482 3.610 . 0 0 "[ . 1 . 2]" 1
399 1 33 TYR H 1 33 TYR QD 3.600 . 3.600 3.342 3.246 3.440 . 0 0 "[ . 1 . 2]" 1
400 1 33 TYR H 1 33 TYR QE 4.900 . 4.900 4.953 4.903 4.990 0.090 17 0 "[ . 1 . 2]" 1
401 1 33 TYR QD 1 84 PRO HB2 4.900 . 4.900 4.160 3.504 4.905 0.005 4 0 "[ . 1 . 2]" 1
402 1 33 TYR QD 1 84 PRO HB3 4.900 . 4.900 2.667 2.004 3.920 . 0 0 "[ . 1 . 2]" 1
403 1 33 TYR QD 1 84 PRO QB 4.900 . 4.900 2.629 1.992 3.761 . 0 0 "[ . 1 . 2]" 1
404 1 33 TYR QD 1 85 PHE QD 5.200 . 5.200 3.761 3.456 4.199 . 0 0 "[ . 1 . 2]" 1
405 1 33 TYR QE 1 84 PRO HA 5.300 . 5.300 5.044 4.570 5.337 0.037 3 0 "[ . 1 . 2]" 1
406 1 33 TYR QE 1 84 PRO QB 4.000 . 4.000 2.898 2.594 3.493 . 0 0 "[ . 1 . 2]" 1
407 1 33 TYR QE 1 85 PHE QD 3.700 . 3.700 3.569 3.221 3.770 0.070 4 0 "[ . 1 . 2]" 1
408 1 34 PRO HA 1 35 SER H 3.300 . 3.300 2.477 2.385 2.548 . 0 0 "[ . 1 . 2]" 1
409 1 34 PRO HA 1 39 GLY H 5.400 . 5.400 4.266 4.081 4.481 . 0 0 "[ . 1 . 2]" 1
410 1 34 PRO QB 1 35 SER H 4.100 . 4.100 2.847 2.685 2.988 . 0 0 "[ . 1 . 2]" 1
411 1 34 PRO QB 1 39 GLY H 4.500 . 4.500 3.749 3.654 3.869 . 0 0 "[ . 1 . 2]" 1
412 1 34 PRO QB 1 39 GLY QA 3.800 . 3.800 1.845 1.784 1.973 0.016 7 0 "[ . 1 . 2]" 1
413 1 35 SER H 1 37 GLN H 5.500 . 5.500 4.571 4.421 4.768 . 0 0 "[ . 1 . 2]" 1
414 1 35 SER H 1 38 GLN HB2 4.100 . 4.100 3.768 3.462 4.120 0.020 2 0 "[ . 1 . 2]" 1
415 1 35 SER H 1 39 GLY QA 5.000 . 5.000 1.767 1.739 1.789 0.061 7 0 "[ . 1 . 2]" 1
416 1 35 SER HA 1 36 THR H 3.400 . 3.400 2.442 2.165 2.487 . 0 0 "[ . 1 . 2]" 1
417 1 35 SER HA 1 36 THR MG 4.800 . 4.800 4.750 4.607 5.028 0.228 13 0 "[ . 1 . 2]" 1
418 1 35 SER QB 1 36 THR H 4.000 . 4.000 2.699 2.613 2.739 . 0 0 "[ . 1 . 2]" 1
419 1 35 SER QB 1 37 GLN H 3.600 . 3.600 2.741 2.608 2.945 . 0 0 "[ . 1 . 2]" 1
420 1 35 SER QB 1 39 GLY H 4.400 . 4.400 3.255 3.178 3.353 . 0 0 "[ . 1 . 2]" 1
421 1 35 SER QB 1 39 GLY QA 4.400 . 4.400 4.112 3.991 4.199 . 0 0 "[ . 1 . 2]" 1
422 1 36 THR H 1 78 ALA H 4.800 . 4.800 4.569 4.239 4.827 0.027 9 0 "[ . 1 . 2]" 1
423 1 36 THR H 1 36 THR HB 3.300 . 3.300 2.345 1.954 2.490 . 0 0 "[ . 1 . 2]" 1
424 1 36 THR H 1 36 THR MG 4.000 . 4.000 2.632 2.447 3.233 . 0 0 "[ . 1 . 2]" 1
425 1 36 THR H 1 37 GLN H 4.100 . 4.100 2.596 2.487 2.697 . 0 0 "[ . 1 . 2]" 1
426 1 36 THR HA 1 36 THR MG 3.200 . 3.200 3.168 2.902 3.213 0.013 7 0 "[ . 1 . 2]" 1
427 1 36 THR HA 1 37 GLN HA 4.600 . 4.600 4.480 4.345 4.558 . 0 0 "[ . 1 . 2]" 1
428 1 36 THR HB 1 78 ALA H 4.300 . 4.300 3.187 2.792 3.900 . 0 0 "[ . 1 . 2]" 1
429 1 36 THR MG 1 37 GLN H 4.000 . 4.000 2.859 2.745 3.128 . 0 0 "[ . 1 . 2]" 1
430 1 36 THR MG 1 37 GLN HA 3.900 . 3.900 3.543 3.365 3.714 . 0 0 "[ . 1 . 2]" 1
431 1 36 THR MG 1 37 GLN HE22 5.500 . 5.500 4.820 2.300 5.675 0.175 5 0 "[ . 1 . 2]" 1
432 1 36 THR MG 1 37 GLN QB 3.700 . 3.700 3.673 2.866 3.833 0.133 8 0 "[ . 1 . 2]" 1
433 1 37 GLN H 1 37 GLN HB2 4.200 . 4.200 2.475 2.260 2.978 . 0 0 "[ . 1 . 2]" 1
434 1 37 GLN H 1 37 GLN HB3 4.200 . 4.200 3.380 2.244 3.695 . 0 0 "[ . 1 . 2]" 1
435 1 37 GLN H 1 37 GLN QB 3.400 . 3.400 2.343 2.146 2.711 . 0 0 "[ . 1 . 2]" 1
436 1 37 GLN H 1 37 GLN QG 4.100 . 4.100 3.093 2.624 4.063 . 0 0 "[ . 1 . 2]" 1
437 1 37 GLN H 1 38 GLN H 4.000 . 4.000 2.548 2.489 2.610 . 0 0 "[ . 1 . 2]" 1
438 1 37 GLN HA 1 37 GLN HE21 5.500 . 5.500 4.338 2.328 5.288 . 0 0 "[ . 1 . 2]" 1
439 1 37 GLN HA 1 37 GLN QG 3.400 . 3.400 2.578 2.344 3.078 . 0 0 "[ . 1 . 2]" 1
440 1 37 GLN HE21 1 38 GLN H 5.500 . 5.500 4.903 3.412 5.614 0.114 19 0 "[ . 1 . 2]" 1
441 1 38 GLN H 1 38 GLN HB2 3.100 . 3.100 2.476 2.402 2.538 . 0 0 "[ . 1 . 2]" 1
442 1 38 GLN H 1 38 GLN HB3 3.600 . 3.600 3.616 3.582 3.644 0.044 20 0 "[ . 1 . 2]" 1
443 1 38 GLN H 1 38 GLN HG2 4.500 . 4.500 3.373 2.473 3.990 . 0 0 "[ . 1 . 2]" 1
444 1 38 GLN H 1 38 GLN HG3 4.500 . 4.500 2.841 2.274 4.065 . 0 0 "[ . 1 . 2]" 1
445 1 38 GLN H 1 38 GLN QG 3.700 . 3.700 2.486 2.245 3.277 . 0 0 "[ . 1 . 2]" 1
446 1 38 GLN H 1 39 GLY H 3.900 . 3.900 2.362 2.261 2.415 . 0 0 "[ . 1 . 2]" 1
447 1 38 GLN H 1 39 GLY QA 4.900 . 4.900 4.284 4.186 4.343 . 0 0 "[ . 1 . 2]" 1
448 1 38 GLN HA 1 38 GLN QG 3.500 . 3.500 2.582 2.383 2.942 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLN HA 1 42 ALA MB 4.200 . 4.200 4.298 4.259 4.345 0.145 20 0 "[ . 1 . 2]" 1
450 1 38 GLN HB2 1 39 GLY H 3.500 . 3.500 2.739 2.449 2.959 . 0 0 "[ . 1 . 2]" 1
451 1 38 GLN HB2 1 42 ALA MB 4.700 . 4.700 4.688 4.590 4.793 0.093 2 0 "[ . 1 . 2]" 1
452 1 38 GLN HB3 1 39 GLY H 4.200 . 4.200 3.720 3.573 3.839 . 0 0 "[ . 1 . 2]" 1
453 1 38 GLN HB3 1 42 ALA MB 4.000 . 4.000 3.956 3.687 4.074 0.074 17 0 "[ . 1 . 2]" 1
454 1 39 GLY H 1 40 LEU H 5.000 . 5.000 2.540 2.400 2.631 . 0 0 "[ . 1 . 2]" 1
455 1 39 GLY H 1 42 ALA MB 4.500 . 4.500 4.177 4.069 4.273 . 0 0 "[ . 1 . 2]" 1
456 1 40 LEU H 1 40 LEU HB2 4.000 . 4.000 2.440 2.324 2.540 . 0 0 "[ . 1 . 2]" 1
457 1 40 LEU H 1 40 LEU HB3 4.000 . 4.000 2.669 2.581 2.740 . 0 0 "[ . 1 . 2]" 1
458 1 40 LEU H 1 40 LEU HG 4.700 . 4.700 4.485 4.378 4.551 . 0 0 "[ . 1 . 2]" 1
459 1 40 LEU H 1 40 LEU QB 3.500 . 3.500 2.258 2.205 2.303 . 0 0 "[ . 1 . 2]" 1
460 1 40 LEU H 1 40 LEU MD1 4.300 . 4.300 4.235 4.192 4.285 . 0 0 "[ . 1 . 2]" 1
461 1 40 LEU H 1 40 LEU MD2 4.300 . 4.300 4.296 4.233 4.315 0.015 20 0 "[ . 1 . 2]" 1
462 1 40 LEU H 1 41 GLU H 3.500 . 3.500 2.529 2.418 2.609 . 0 0 "[ . 1 . 2]" 1
463 1 40 LEU H 1 41 GLU QB 4.800 . 4.800 4.373 4.008 4.845 0.045 3 0 "[ . 1 . 2]" 1
464 1 40 LEU H 1 42 ALA H 5.500 . 5.500 3.507 3.391 3.600 . 0 0 "[ . 1 . 2]" 1
465 1 40 LEU H 1 43 LEU QB 5.500 . 5.500 4.988 4.463 5.400 . 0 0 "[ . 1 . 2]" 1
466 1 40 LEU HA 1 40 LEU MD1 3.800 . 3.800 3.807 3.748 3.839 0.039 2 0 "[ . 1 . 2]" 1
467 1 40 LEU HA 1 40 LEU MD2 3.800 . 3.800 2.982 2.673 3.162 . 0 0 "[ . 1 . 2]" 1
468 1 40 LEU HA 1 40 LEU QD 3.200 . 3.200 2.878 2.626 3.004 . 0 0 "[ . 1 . 2]" 1
469 1 40 LEU HA 1 42 ALA H 4.400 . 4.400 4.001 3.684 4.219 . 0 0 "[ . 1 . 2]" 1
470 1 40 LEU HA 1 42 ALA MB 5.400 . 5.400 4.821 4.687 4.958 . 0 0 "[ . 1 . 2]" 1
471 1 40 LEU HA 1 43 LEU H 5.500 . 5.500 3.324 3.179 3.525 . 0 0 "[ . 1 . 2]" 1
472 1 40 LEU HA 1 43 LEU QD 4.900 . 4.900 2.590 2.313 3.292 . 0 0 "[ . 1 . 2]" 1
473 1 40 LEU HB2 1 40 LEU HG 3.000 . 3.000 2.526 2.456 2.579 . 0 0 "[ . 1 . 2]" 1
474 1 40 LEU HB3 1 40 LEU HG 3.000 . 3.000 3.025 3.019 3.029 0.029 11 0 "[ . 1 . 2]" 1
475 1 40 LEU HG 1 77 LEU HA 4.000 . 4.000 3.360 3.091 3.728 . 0 0 "[ . 1 . 2]" 1
476 1 40 LEU HG 1 77 LEU QD 3.500 . 3.500 3.422 2.791 3.528 0.028 17 0 "[ . 1 . 2]" 1
477 1 40 LEU QB 1 40 LEU QD 2.800 . 2.800 1.930 1.909 1.939 . 0 0 "[ . 1 . 2]" 1
478 1 40 LEU QB 1 41 GLU H 3.100 . 3.100 2.353 2.245 2.461 . 0 0 "[ . 1 . 2]" 1
479 1 40 LEU QD 1 41 GLU H 3.800 . 3.800 3.292 3.085 3.472 . 0 0 "[ . 1 . 2]" 1
480 1 40 LEU QD 1 41 GLU HA 3.600 . 3.600 3.173 2.854 3.505 . 0 0 "[ . 1 . 2]" 1
481 1 40 LEU QD 1 41 GLU QB 4.400 . 4.400 4.164 3.451 4.448 0.048 17 0 "[ . 1 . 2]" 1
482 1 40 LEU QD 1 41 GLU QG 4.200 . 4.200 3.463 2.717 4.230 0.030 3 0 "[ . 1 . 2]" 1
483 1 40 LEU QD 1 43 LEU H 5.400 . 5.400 4.159 4.050 4.264 . 0 0 "[ . 1 . 2]" 1
484 1 40 LEU QD 1 43 LEU QD 4.600 . 4.600 3.809 3.504 4.124 . 0 0 "[ . 1 . 2]" 1
485 1 40 LEU QD 1 44 VAL H 5.400 . 5.400 4.055 3.975 4.194 . 0 0 "[ . 1 . 2]" 1
486 1 40 LEU QD 1 44 VAL HB 4.700 . 4.700 3.910 3.584 4.240 . 0 0 "[ . 1 . 2]" 1
487 1 41 GLU H 1 41 GLU QB 3.200 . 3.200 2.310 2.055 2.565 . 0 0 "[ . 1 . 2]" 1
488 1 41 GLU H 1 41 GLU QG 3.500 . 3.500 2.645 2.039 3.701 0.201 9 0 "[ . 1 . 2]" 1
489 1 41 GLU H 1 42 ALA H 3.800 . 3.800 2.562 2.453 2.635 . 0 0 "[ . 1 . 2]" 1
490 1 41 GLU H 1 42 ALA MB 4.300 . 4.300 4.247 4.105 4.322 0.022 13 0 "[ . 1 . 2]" 1
491 1 41 GLU H 1 44 VAL QG 5.200 . 5.200 4.767 4.286 4.987 . 0 0 "[ . 1 . 2]" 1
492 1 41 GLU HA 1 41 GLU QG 3.800 . 3.800 2.458 2.185 3.331 . 0 0 "[ . 1 . 2]" 1
493 1 41 GLU HA 1 43 LEU H 5.100 . 5.100 3.705 3.526 3.883 . 0 0 "[ . 1 . 2]" 1
494 1 41 GLU HA 1 44 VAL H 3.900 . 3.900 3.279 3.004 3.625 . 0 0 "[ . 1 . 2]" 1
495 1 41 GLU HA 1 44 VAL HB 3.900 . 3.900 3.045 2.706 3.376 . 0 0 "[ . 1 . 2]" 1
496 1 41 GLU HA 1 44 VAL QG 3.900 . 3.900 3.303 2.512 3.710 . 0 0 "[ . 1 . 2]" 1
497 1 41 GLU HA 1 45 LYS H 4.200 . 4.200 3.600 3.162 3.897 . 0 0 "[ . 1 . 2]" 1
498 1 41 GLU QB 1 42 ALA H 3.800 . 3.800 2.944 2.578 3.515 . 0 0 "[ . 1 . 2]" 1
499 1 41 GLU QG 1 42 ALA H 4.800 . 4.800 4.083 2.319 4.622 . 0 0 "[ . 1 . 2]" 1
500 1 41 GLU QG 1 45 LYS QB 4.300 . 4.300 4.160 2.371 4.460 0.160 5 0 "[ . 1 . 2]" 1
501 1 42 ALA H 1 42 ALA MB 3.300 . 3.300 2.247 2.197 2.349 . 0 0 "[ . 1 . 2]" 1
502 1 42 ALA H 1 43 LEU H 3.800 . 3.800 2.450 2.083 2.650 . 0 0 "[ . 1 . 2]" 1
503 1 42 ALA H 1 44 VAL H 4.700 . 4.700 3.922 3.587 4.164 . 0 0 "[ . 1 . 2]" 1
504 1 42 ALA H 1 45 LYS H 4.900 . 4.900 4.483 4.275 4.608 . 0 0 "[ . 1 . 2]" 1
505 1 42 ALA HA 1 56 TRP HE1 5.400 . 5.400 4.120 3.914 4.375 . 0 0 "[ . 1 . 2]" 1
506 1 42 ALA MB 1 47 PRO HB2 4.400 . 4.400 3.516 3.250 3.985 . 0 0 "[ . 1 . 2]" 1
507 1 42 ALA MB 1 47 PRO HB3 4.400 . 4.400 2.192 1.894 2.915 . 0 0 "[ . 1 . 2]" 1
508 1 42 ALA MB 1 48 THR H 4.200 . 4.200 3.120 2.333 3.647 . 0 0 "[ . 1 . 2]" 1
509 1 42 ALA MB 1 56 TRP HD1 4.900 . 4.900 4.926 4.719 5.009 0.109 19 0 "[ . 1 . 2]" 1
510 1 42 ALA MB 1 56 TRP HE1 5.000 . 5.000 3.715 3.616 3.887 . 0 0 "[ . 1 . 2]" 1
511 1 43 LEU H 1 43 LEU HG 4.600 . 4.600 3.443 2.691 4.585 . 0 0 "[ . 1 . 2]" 1
512 1 43 LEU H 1 43 LEU QB 3.600 . 3.600 2.292 2.118 2.439 . 0 0 "[ . 1 . 2]" 1
513 1 43 LEU H 1 43 LEU MD1 4.400 . 4.400 3.688 2.969 4.020 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU H 1 43 LEU MD2 4.400 . 4.400 3.888 3.673 4.277 . 0 0 "[ . 1 . 2]" 1
515 1 43 LEU H 1 43 LEU QD 3.700 . 3.700 3.327 2.894 3.684 . 0 0 "[ . 1 . 2]" 1
516 1 43 LEU H 1 44 VAL QG 4.400 . 4.400 3.514 3.273 3.655 . 0 0 "[ . 1 . 2]" 1
517 1 43 LEU H 1 45 LYS H 4.200 . 4.200 3.611 3.477 3.797 . 0 0 "[ . 1 . 2]" 1
518 1 43 LEU HA 1 43 LEU QD 3.600 . 3.600 2.067 2.013 2.171 . 0 0 "[ . 1 . 2]" 1
519 1 43 LEU HA 1 56 TRP HE1 5.500 . 5.500 2.910 2.622 3.113 . 0 0 "[ . 1 . 2]" 1
520 1 43 LEU QB 1 44 VAL H 3.800 . 3.800 2.886 2.731 3.036 . 0 0 "[ . 1 . 2]" 1
521 1 43 LEU QB 1 60 GLY QA 3.400 . 3.400 2.072 1.782 3.448 0.048 9 0 "[ . 1 . 2]" 1
522 1 43 LEU QD 1 77 LEU HA 4.300 . 4.300 4.301 3.958 4.407 0.107 17 0 "[ . 1 . 2]" 1
523 1 43 LEU QD 1 87 LEU QD 4.100 . 4.100 3.843 2.672 4.144 0.044 18 0 "[ . 1 . 2]" 1
524 1 43 LEU QD 1 56 TRP HE1 5.200 . 5.200 3.653 3.291 3.925 . 0 0 "[ . 1 . 2]" 1
525 1 43 LEU QD 1 60 GLY QA 4.200 . 4.200 2.215 2.000 2.468 . 0 0 "[ . 1 . 2]" 1
526 1 43 LEU QD 1 61 TYR QB 3.900 . 3.900 2.737 2.098 3.514 . 0 0 "[ . 1 . 2]" 1
527 1 44 VAL H 1 44 VAL HB 3.900 . 3.900 2.624 2.560 2.691 . 0 0 "[ . 1 . 2]" 1
528 1 44 VAL H 1 44 VAL QG 3.400 . 3.400 2.337 2.061 2.454 . 0 0 "[ . 1 . 2]" 1
529 1 44 VAL H 1 45 LYS H 3.400 . 3.400 2.154 1.976 2.331 . 0 0 "[ . 1 . 2]" 1
530 1 44 VAL H 1 45 LYS HA 5.500 . 5.500 4.887 4.793 5.021 . 0 0 "[ . 1 . 2]" 1
531 1 44 VAL HB 1 45 LYS H 4.000 . 4.000 2.788 2.386 3.083 . 0 0 "[ . 1 . 2]" 1
532 1 44 VAL HB 1 45 LYS QB 4.000 . 4.000 3.600 2.952 4.002 0.002 5 0 "[ . 1 . 2]" 1
533 1 44 VAL QG 1 76 TYR H 5.500 . 5.500 5.254 4.845 5.538 0.038 5 0 "[ . 1 . 2]" 1
534 1 44 VAL QG 1 76 TYR QD 4.500 . 4.500 3.190 2.187 3.742 . 0 0 "[ . 1 . 2]" 1
535 1 44 VAL QG 1 45 LYS H 3.700 . 3.700 3.327 3.129 3.463 . 0 0 "[ . 1 . 2]" 1
536 1 44 VAL QG 1 60 GLY H 4.400 . 4.400 3.842 3.554 4.160 . 0 0 "[ . 1 . 2]" 1
537 1 44 VAL QG 1 60 GLY QA 3.900 . 3.900 3.963 3.903 4.031 0.131 1 0 "[ . 1 . 2]" 1
538 1 45 LYS H 1 45 LYS QB 3.600 . 3.600 2.418 2.164 2.807 . 0 0 "[ . 1 . 2]" 1
539 1 45 LYS H 1 46 LYS H 5.100 . 5.100 4.393 4.339 4.462 . 0 0 "[ . 1 . 2]" 1
540 1 45 LYS HA 1 45 LYS QG 3.900 . 3.900 2.640 2.323 3.364 . 0 0 "[ . 1 . 2]" 1
541 1 45 LYS HA 1 46 LYS H 3.300 . 3.300 2.367 2.303 2.449 . 0 0 "[ . 1 . 2]" 1
542 1 45 LYS QB 1 45 LYS QD 2.500 . 2.500 2.210 2.023 2.515 0.015 18 0 "[ . 1 . 2]" 1
543 1 45 LYS QB 1 46 LYS H 3.900 . 3.900 3.269 2.649 3.672 . 0 0 "[ . 1 . 2]" 1
544 1 46 LYS H 1 46 LYS QB 3.800 . 3.800 2.347 1.997 2.560 . 0 0 "[ . 1 . 2]" 1
545 1 46 LYS H 1 46 LYS QD 3.900 . 3.900 3.389 1.789 4.069 0.169 8 0 "[ . 1 . 2]" 1
546 1 46 LYS H 1 46 LYS QG 5.100 . 5.100 2.958 1.988 4.020 . 0 0 "[ . 1 . 2]" 1
547 1 46 LYS HA 1 46 LYS QD 4.300 . 4.300 3.665 2.091 4.251 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS HA 1 47 PRO HA 4.500 . 4.500 4.337 4.121 4.459 . 0 0 "[ . 1 . 2]" 1
549 1 46 LYS HA 1 56 TRP HD1 4.500 . 4.500 4.599 4.558 4.653 0.153 17 0 "[ . 1 . 2]" 1
550 1 46 LYS HA 1 56 TRP HE1 5.000 . 5.000 3.766 3.526 4.003 . 0 0 "[ . 1 . 2]" 1
551 1 46 LYS HA 1 56 TRP HZ2 4.900 . 4.900 3.541 3.257 3.836 . 0 0 "[ . 1 . 2]" 1
552 1 46 LYS QB 1 46 LYS QE 3.400 . 3.400 2.655 1.931 3.523 0.123 10 0 "[ . 1 . 2]" 1
553 1 46 LYS QG 1 56 TRP HD1 5.500 . 5.500 5.306 4.873 5.540 0.040 9 0 "[ . 1 . 2]" 1
554 1 47 PRO HA 1 48 THR H 3.000 . 3.000 2.099 2.001 2.233 . 0 0 "[ . 1 . 2]" 1
555 1 47 PRO HA 1 48 THR MG 4.500 . 4.500 3.828 3.557 4.167 . 0 0 "[ . 1 . 2]" 1
556 1 47 PRO HB2 1 48 THR H 4.400 . 4.400 3.462 2.935 3.854 . 0 0 "[ . 1 . 2]" 1
557 1 47 PRO HB3 1 48 THR H 4.400 . 4.400 3.761 3.421 3.983 . 0 0 "[ . 1 . 2]" 1
558 1 47 PRO QB 1 56 TRP HD1 4.200 . 4.200 4.235 3.757 4.404 0.204 16 0 "[ . 1 . 2]" 1
559 1 48 THR H 1 48 THR HB 3.900 . 3.900 3.253 2.586 3.630 . 0 0 "[ . 1 . 2]" 1
560 1 48 THR H 1 48 THR MG 3.500 . 3.500 2.509 1.940 3.022 . 0 0 "[ . 1 . 2]" 1
561 1 48 THR HA 1 48 THR MG 3.300 . 3.300 2.586 2.150 3.246 . 0 0 "[ . 1 . 2]" 1
562 1 48 THR HA 1 49 GLY H 3.500 . 3.500 2.464 2.070 3.407 . 0 0 "[ . 1 . 2]" 1
563 1 48 THR HB 1 49 GLY H 4.200 . 4.200 3.547 2.136 4.255 0.055 14 0 "[ . 1 . 2]" 1
564 1 48 THR MG 1 49 GLY H 3.800 . 3.800 3.494 2.565 3.866 0.066 19 0 "[ . 1 . 2]" 1
565 1 49 GLY QA 1 50 ASN H 3.200 . 3.200 2.172 2.100 2.390 . 0 0 "[ . 1 . 2]" 1
566 1 50 ASN H 1 50 ASN HB2 4.000 . 4.000 3.203 2.537 3.990 . 0 0 "[ . 1 . 2]" 1
567 1 50 ASN H 1 50 ASN HB3 4.000 . 4.000 3.454 2.101 3.910 . 0 0 "[ . 1 . 2]" 1
568 1 50 ASN H 1 50 ASN HD21 4.800 . 4.800 3.448 2.661 4.538 . 0 0 "[ . 1 . 2]" 1
569 1 50 ASN H 1 50 ASN HD22 4.800 . 4.800 4.373 3.398 5.255 0.455 12 0 "[ . 1 . 2]" 1
570 1 50 ASN H 1 50 ASN QB 3.500 . 3.500 2.804 2.035 3.286 . 0 0 "[ . 1 . 2]" 1
571 1 51 PRO HA 1 52 GLN QG 4.600 . 4.600 3.788 3.313 4.869 0.269 6 0 "[ . 1 . 2]" 1
572 1 51 PRO QB 1 52 GLN H 4.100 . 4.100 2.704 2.446 3.055 . 0 0 "[ . 1 . 2]" 1
573 1 52 GLN H 1 52 GLN HG2 4.500 . 4.500 3.494 2.238 4.210 . 0 0 "[ . 1 . 2]" 1
574 1 52 GLN H 1 52 GLN HG3 4.500 . 4.500 3.016 2.225 4.427 . 0 0 "[ . 1 . 2]" 1
575 1 52 GLN H 1 52 GLN QB 3.700 . 3.700 2.413 2.169 2.653 . 0 0 "[ . 1 . 2]" 1
576 1 52 GLN H 1 52 GLN QG 4.700 . 4.700 2.642 2.189 3.839 . 0 0 "[ . 1 . 2]" 1
577 1 52 GLN HE22 1 52 GLN QG 3.800 . 3.800 3.330 3.187 3.525 . 0 0 "[ . 1 . 2]" 1
578 1 53 PRO HA 1 54 LYS H 3.300 . 3.300 2.186 2.150 2.239 . 0 0 "[ . 1 . 2]" 1
579 1 54 LYS H 1 54 LYS QB 3.500 . 3.500 2.662 2.294 2.822 . 0 0 "[ . 1 . 2]" 1
580 1 54 LYS H 1 54 LYS QD 5.200 . 5.200 4.204 2.658 4.932 . 0 0 "[ . 1 . 2]" 1
581 1 54 LYS H 1 54 LYS QG 4.600 . 4.600 3.967 3.263 4.359 . 0 0 "[ . 1 . 2]" 1
582 1 54 LYS H 1 55 ASN H 4.200 . 4.200 4.169 3.453 4.279 0.079 18 0 "[ . 1 . 2]" 1
583 1 54 LYS HA 1 54 LYS QG 3.200 . 3.200 2.519 2.259 2.970 . 0 0 "[ . 1 . 2]" 1
584 1 54 LYS HA 1 55 ASN H 3.400 . 3.400 2.290 2.095 2.413 . 0 0 "[ . 1 . 2]" 1
585 1 54 LYS QB 1 54 LYS QD 2.900 . 2.900 2.227 2.084 2.347 . 0 0 "[ . 1 . 2]" 1
586 1 54 LYS QB 1 54 LYS QE 4.000 . 4.000 3.648 3.302 3.812 . 0 0 "[ . 1 . 2]" 1
587 1 54 LYS QB 1 55 ASN H 4.500 . 4.500 3.219 2.579 3.710 . 0 0 "[ . 1 . 2]" 1
588 1 54 LYS QE 1 54 LYS QG 3.500 . 3.500 2.296 2.118 2.562 . 0 0 "[ . 1 . 2]" 1
589 1 55 ASN H 1 55 ASN HB2 4.100 . 4.100 2.514 2.420 2.751 . 0 0 "[ . 1 . 2]" 1
590 1 55 ASN H 1 55 ASN HB3 4.100 . 4.100 3.529 2.563 3.691 . 0 0 "[ . 1 . 2]" 1
591 1 55 ASN H 1 55 ASN QD 4.300 . 4.300 3.212 2.269 4.366 0.066 2 0 "[ . 1 . 2]" 1
592 1 55 ASN H 1 56 TRP H 4.700 . 4.700 4.118 3.778 4.232 . 0 0 "[ . 1 . 2]" 1
593 1 55 ASN HA 1 55 ASN QD 3.800 . 3.800 3.346 1.888 3.925 0.125 17 0 "[ . 1 . 2]" 1
594 1 55 ASN QB 1 55 ASN QD 2.900 . 2.900 2.225 2.043 2.707 . 0 0 "[ . 1 . 2]" 1
595 1 56 TRP H 1 56 TRP HB2 3.800 . 3.800 2.463 2.418 2.538 . 0 0 "[ . 1 . 2]" 1
596 1 56 TRP H 1 56 TRP HB3 3.800 . 3.800 2.396 2.309 2.552 . 0 0 "[ . 1 . 2]" 1
597 1 56 TRP H 1 56 TRP HD1 4.800 . 4.800 4.898 4.869 4.945 0.145 4 0 "[ . 1 . 2]" 1
598 1 56 TRP H 1 56 TRP HE3 4.900 . 4.900 4.524 4.445 4.728 . 0 0 "[ . 1 . 2]" 1
599 1 56 TRP H 1 57 ASN H 5.300 . 5.300 4.527 4.484 4.554 . 0 0 "[ . 1 . 2]" 1
600 1 56 TRP HA 1 56 TRP HD1 4.200 . 4.200 3.160 2.985 3.295 . 0 0 "[ . 1 . 2]" 1
601 1 56 TRP HA 1 56 TRP HE1 5.300 . 5.300 5.106 5.001 5.201 . 0 0 "[ . 1 . 2]" 1
602 1 56 TRP HA 1 57 ASN H 3.500 . 3.500 2.169 2.117 2.232 . 0 0 "[ . 1 . 2]" 1
603 1 56 TRP HA 1 61 TYR HH 4.700 . 4.700 1.937 1.793 2.157 0.007 1 0 "[ . 1 . 2]" 1
604 1 56 TRP HA 1 61 TYR QD 4.600 . 4.600 4.539 4.352 4.711 0.111 9 0 "[ . 1 . 2]" 1
605 1 56 TRP HA 1 61 TYR QE 5.200 . 5.200 2.572 2.247 2.846 . 0 0 "[ . 1 . 2]" 1
606 1 56 TRP HD1 1 57 ASN H 3.900 . 3.900 3.606 3.457 3.842 . 0 0 "[ . 1 . 2]" 1
607 1 56 TRP HD1 1 61 TYR QD 5.100 . 5.100 4.136 3.788 4.379 . 0 0 "[ . 1 . 2]" 1
608 1 56 TRP HD1 1 61 TYR QE 5.100 . 5.100 2.274 1.951 2.628 . 0 0 "[ . 1 . 2]" 1
609 1 56 TRP QB 1 56 TRP HE3 3.600 . 3.600 2.482 2.428 2.530 . 0 0 "[ . 1 . 2]" 1
610 1 57 ASN H 1 57 ASN HD21 5.200 . 5.200 4.683 4.571 5.143 . 0 0 "[ . 1 . 2]" 1
611 1 57 ASN H 1 61 TYR HH 4.600 . 4.600 3.229 2.965 3.569 . 0 0 "[ . 1 . 2]" 1
612 1 57 ASN H 1 61 TYR QD 5.100 . 5.100 3.278 3.150 3.422 . 0 0 "[ . 1 . 2]" 1
613 1 57 ASN HA 1 57 ASN HD22 4.700 . 4.700 3.705 3.575 3.987 . 0 0 "[ . 1 . 2]" 1
614 1 57 ASN HA 1 58 LYS H 3.100 . 3.100 2.262 2.151 2.337 . 0 0 "[ . 1 . 2]" 1
615 1 57 ASN HA 1 58 LYS QG 4.600 . 4.600 4.205 3.877 4.419 . 0 0 "[ . 1 . 2]" 1
616 1 57 ASN HA 1 61 TYR HH 5.600 . 5.600 5.678 5.454 5.759 0.159 2 0 "[ . 1 . 2]" 1
617 1 57 ASN HB2 1 61 TYR HH 5.200 . 5.200 5.013 4.589 5.271 0.071 3 0 "[ . 1 . 2]" 1
618 1 57 ASN HB3 1 61 TYR HH 5.200 . 5.200 4.702 4.497 4.881 . 0 0 "[ . 1 . 2]" 1
619 1 57 ASN HD22 1 60 GLY H 5.700 . 5.700 5.794 5.775 5.818 0.118 9 0 "[ . 1 . 2]" 1
620 1 57 ASN QB 1 58 LYS H 4.400 . 4.400 3.711 3.625 3.805 . 0 0 "[ . 1 . 2]" 1
621 1 57 ASN QB 1 60 GLY H 5.400 . 5.400 5.439 5.341 5.497 0.097 13 0 "[ . 1 . 2]" 1
622 1 57 ASN QB 1 61 TYR H 4.700 . 4.700 3.792 3.654 4.007 . 0 0 "[ . 1 . 2]" 1
623 1 57 ASN QB 1 61 TYR HH 4.400 . 4.400 4.308 4.067 4.465 0.065 2 0 "[ . 1 . 2]" 1
624 1 58 LYS H 1 58 LYS QB 3.400 . 3.400 2.587 2.489 2.704 . 0 0 "[ . 1 . 2]" 1
625 1 58 LYS H 1 58 LYS QG 3.700 . 3.700 2.245 2.065 2.417 . 0 0 "[ . 1 . 2]" 1
626 1 58 LYS H 1 59 ASP H 4.600 . 4.600 4.441 4.394 4.497 . 0 0 "[ . 1 . 2]" 1
627 1 58 LYS HA 1 58 LYS QD 4.400 . 4.400 4.312 4.219 4.469 0.069 19 0 "[ . 1 . 2]" 1
628 1 58 LYS HA 1 59 ASP HA 4.800 . 4.800 4.615 4.430 4.807 0.007 14 0 "[ . 1 . 2]" 1
629 1 58 LYS HA 1 60 GLY H 4.300 . 4.300 3.185 2.982 3.581 . 0 0 "[ . 1 . 2]" 1
630 1 58 LYS QB 1 76 TYR QE 5.600 . 5.600 5.635 5.268 5.828 0.228 9 0 "[ . 1 . 2]" 1
631 1 58 LYS QB 1 58 LYS QD 2.600 . 2.600 2.155 2.091 2.289 . 0 0 "[ . 1 . 2]" 1
632 1 58 LYS QB 1 59 ASP H 4.100 . 4.100 2.007 1.858 2.223 . 0 0 "[ . 1 . 2]" 1
633 1 58 LYS QG 1 76 TYR QE 5.500 . 5.500 5.608 5.575 5.671 0.171 10 0 "[ . 1 . 2]" 1
634 1 58 LYS QD 1 58 LYS QG 2.500 . 2.500 2.073 2.009 2.100 . 0 0 "[ . 1 . 2]" 1
635 1 58 LYS QG 1 59 ASP H 3.900 . 3.900 2.767 2.306 3.176 . 0 0 "[ . 1 . 2]" 1
636 1 59 ASP H 1 76 TYR QD 5.500 . 5.500 5.269 4.892 5.512 0.012 1 0 "[ . 1 . 2]" 1
637 1 59 ASP H 1 59 ASP HB2 3.800 . 3.800 3.196 2.990 3.587 . 0 0 "[ . 1 . 2]" 1
638 1 59 ASP H 1 59 ASP HB3 3.800 . 3.800 3.764 3.570 3.969 0.169 5 0 "[ . 1 . 2]" 1
639 1 59 ASP H 1 60 GLY H 3.700 . 3.700 2.508 2.377 2.712 . 0 0 "[ . 1 . 2]" 1
640 1 59 ASP QB 1 60 GLY H 4.300 . 4.300 3.672 3.514 3.891 . 0 0 "[ . 1 . 2]" 1
641 1 60 GLY H 1 76 TYR QB 5.200 . 5.200 5.011 4.596 5.235 0.035 7 0 "[ . 1 . 2]" 1
642 1 60 GLY H 1 76 TYR QD 4.200 . 4.200 4.140 3.780 4.333 0.133 13 0 "[ . 1 . 2]" 1
643 1 60 GLY H 1 61 TYR H 3.000 . 3.000 2.197 1.949 2.367 . 0 0 "[ . 1 . 2]" 1
644 1 60 GLY H 1 61 TYR HB2 5.500 . 5.500 4.786 4.574 5.012 . 0 0 "[ . 1 . 2]" 1
645 1 60 GLY QA 1 76 TYR QB 4.400 . 4.400 2.776 2.365 3.238 . 0 0 "[ . 1 . 2]" 1
646 1 60 GLY QA 1 76 TYR QD 3.700 . 3.700 2.412 1.887 3.002 . 0 0 "[ . 1 . 2]" 1
647 1 61 TYR H 1 76 TYR QE 5.600 . 5.600 5.516 5.189 5.655 0.055 4 0 "[ . 1 . 2]" 1
648 1 61 TYR H 1 61 TYR QD 5.100 . 5.100 3.523 3.061 3.664 . 0 0 "[ . 1 . 2]" 1
649 1 61 TYR H 1 61 TYR QE 5.400 . 5.400 5.398 5.077 5.494 0.094 4 0 "[ . 1 . 2]" 1
650 1 61 TYR H 1 62 LEU H 4.400 . 4.400 3.236 2.952 3.375 . 0 0 "[ . 1 . 2]" 1
651 1 61 TYR HA 1 62 LEU QB 4.600 . 4.600 4.032 3.894 4.331 . 0 0 "[ . 1 . 2]" 1
652 1 61 TYR HB2 1 62 LEU H 4.900 . 4.900 4.626 4.570 4.669 . 0 0 "[ . 1 . 2]" 1
653 1 61 TYR HB3 1 62 LEU H 4.900 . 4.900 4.115 4.006 4.212 . 0 0 "[ . 1 . 2]" 1
654 1 61 TYR QB 1 62 LEU H 4.300 . 4.300 3.847 3.771 3.900 . 0 0 "[ . 1 . 2]" 1
655 1 62 LEU H 1 62 LEU HG 4.700 . 4.700 4.441 3.273 4.735 0.035 16 0 "[ . 1 . 2]" 1
656 1 62 LEU H 1 62 LEU QB 3.600 . 3.600 2.471 2.306 2.594 . 0 0 "[ . 1 . 2]" 1
657 1 62 LEU H 1 62 LEU QD 4.800 . 4.800 3.910 3.534 4.018 . 0 0 "[ . 1 . 2]" 1
658 1 62 LEU H 1 63 LYS HA 5.300 . 5.300 4.787 4.534 5.097 . 0 0 "[ . 1 . 2]" 1
659 1 62 LEU HA 1 62 LEU HG 3.200 . 3.200 2.990 2.540 3.248 0.048 15 0 "[ . 1 . 2]" 1
660 1 62 LEU HA 1 62 LEU QD 4.000 . 4.000 2.396 1.939 3.057 . 0 0 "[ . 1 . 2]" 1
661 1 62 LEU HA 1 63 LYS QG 4.200 . 4.200 3.801 3.438 4.170 . 0 0 "[ . 1 . 2]" 1
662 1 62 LEU QD 1 63 LYS QG 3.800 . 3.800 3.436 3.000 3.878 0.078 2 0 "[ . 1 . 2]" 1
663 1 62 LEU QD 1 64 LYS H 5.500 . 5.500 4.863 4.350 5.643 0.143 2 0 "[ . 1 . 2]" 1
664 1 62 LEU QD 1 65 LEU H 4.800 . 4.800 3.073 2.506 3.959 . 0 0 "[ . 1 . 2]" 1
665 1 63 LYS H 1 63 LYS QB 3.800 . 3.800 2.409 2.331 2.478 . 0 0 "[ . 1 . 2]" 1
666 1 63 LYS H 1 63 LYS QD 5.500 . 5.500 3.643 3.350 4.335 . 0 0 "[ . 1 . 2]" 1
667 1 63 LYS H 1 63 LYS QG 4.000 . 4.000 2.381 2.149 2.562 . 0 0 "[ . 1 . 2]" 1
668 1 63 LYS H 1 64 LYS H 4.600 . 4.600 4.473 4.206 4.613 0.013 12 0 "[ . 1 . 2]" 1
669 1 63 LYS QB 1 63 LYS QD 3.300 . 3.300 2.395 2.027 2.701 . 0 0 "[ . 1 . 2]" 1
670 1 63 LYS QB 1 64 LYS H 3.600 . 3.600 2.061 1.816 2.891 . 0 0 "[ . 1 . 2]" 1
671 1 63 LYS QB 1 65 LEU QB 3.600 . 3.600 3.379 2.507 3.640 0.040 7 0 "[ . 1 . 2]" 1
672 1 63 LYS QD 1 64 LYS H 3.700 . 3.700 3.673 3.415 3.789 0.089 6 0 "[ . 1 . 2]" 1
673 1 63 LYS QG 1 64 LYS H 5.000 . 5.000 4.092 3.724 4.510 . 0 0 "[ . 1 . 2]" 1
674 1 64 LYS H 1 64 LYS HD2 4.200 . 4.200 3.061 1.755 4.234 0.045 8 0 "[ . 1 . 2]" 1
675 1 64 LYS H 1 64 LYS HD3 4.200 . 4.200 2.801 1.787 4.247 0.047 16 0 "[ . 1 . 2]" 1
676 1 64 LYS H 1 64 LYS QB 2.900 . 2.900 2.608 2.327 2.941 0.041 8 0 "[ . 1 . 2]" 1
677 1 64 LYS H 1 64 LYS QD 3.200 . 3.200 2.275 1.747 3.212 0.053 8 0 "[ . 1 . 2]" 1
678 1 64 LYS H 1 64 LYS QG 3.700 . 3.700 3.097 1.931 3.732 0.032 11 0 "[ . 1 . 2]" 1
679 1 64 LYS H 1 65 LEU H 5.000 . 5.000 3.575 2.890 3.851 . 0 0 "[ . 1 . 2]" 1
680 1 64 LYS H 1 65 LEU QD 5.400 . 5.400 3.817 2.498 5.042 . 0 0 "[ . 1 . 2]" 1
681 1 64 LYS HA 1 64 LYS QD 3.900 . 3.900 3.330 2.118 3.939 0.039 2 0 "[ . 1 . 2]" 1
682 1 64 LYS HA 1 64 LYS QG 3.500 . 3.500 3.109 2.343 3.545 0.045 2 0 "[ . 1 . 2]" 1
683 1 64 LYS HA 1 65 LEU H 3.400 . 3.400 2.339 2.127 2.905 . 0 0 "[ . 1 . 2]" 1
684 1 64 LYS QB 1 64 LYS QD 3.500 . 3.500 2.491 2.126 2.819 . 0 0 "[ . 1 . 2]" 1
685 1 64 LYS QB 1 64 LYS QE 3.300 . 3.300 2.817 1.975 3.492 0.192 19 0 "[ . 1 . 2]" 1
686 1 64 LYS QB 1 65 LEU H 4.200 . 4.200 3.878 3.716 4.063 . 0 0 "[ . 1 . 2]" 1
687 1 64 LYS QD 1 65 LEU H 4.800 . 4.800 4.449 3.717 4.868 0.068 8 0 "[ . 1 . 2]" 1
688 1 64 LYS QG 1 65 LEU H 4.700 . 4.700 4.467 4.136 4.752 0.052 12 0 "[ . 1 . 2]" 1
689 1 65 LEU H 1 65 LEU HB2 3.900 . 3.900 2.642 2.335 3.817 . 0 0 "[ . 1 . 2]" 1
690 1 65 LEU H 1 65 LEU HB3 3.900 . 3.900 3.602 2.423 3.769 . 0 0 "[ . 1 . 2]" 1
691 1 65 LEU H 1 65 LEU HG 4.400 . 4.400 3.430 2.688 4.467 0.067 7 0 "[ . 1 . 2]" 1
692 1 65 LEU H 1 65 LEU QB 3.300 . 3.300 2.522 2.305 2.814 . 0 0 "[ . 1 . 2]" 1
693 1 65 LEU H 1 65 LEU MD1 5.100 . 5.100 3.817 2.625 4.351 . 0 0 "[ . 1 . 2]" 1
694 1 65 LEU H 1 65 LEU MD2 5.100 . 5.100 3.719 1.793 4.520 0.007 2 0 "[ . 1 . 2]" 1
695 1 65 LEU H 1 65 LEU QD 4.500 . 4.500 3.214 1.791 3.836 0.009 2 0 "[ . 1 . 2]" 1
696 1 65 LEU H 1 66 PRO QD 5.500 . 5.500 4.335 4.293 4.392 . 0 0 "[ . 1 . 2]" 1
697 1 65 LEU HA 1 65 LEU MD1 4.600 . 4.600 3.486 2.039 4.097 . 0 0 "[ . 1 . 2]" 1
698 1 65 LEU HA 1 65 LEU MD2 4.600 . 4.600 2.624 2.041 3.941 . 0 0 "[ . 1 . 2]" 1
699 1 65 LEU HA 1 65 LEU QD 3.700 . 3.700 2.272 2.008 3.398 . 0 0 "[ . 1 . 2]" 1
700 1 65 LEU HA 1 66 PRO QD 4.000 . 4.000 2.023 1.893 2.166 . 0 0 "[ . 1 . 2]" 1
701 1 65 LEU QD 1 66 PRO QB 5.300 . 5.300 5.065 3.919 5.301 0.001 12 0 "[ . 1 . 2]" 1
702 1 65 LEU QD 1 66 PRO QD 3.800 . 3.800 2.820 1.935 3.651 . 0 0 "[ . 1 . 2]" 1
703 1 66 PRO HA 1 67 VAL H 3.000 . 3.000 2.595 2.342 2.738 . 0 0 "[ . 1 . 2]" 1
704 1 66 PRO HA 1 67 VAL HA 4.800 . 4.800 4.335 4.236 4.411 . 0 0 "[ . 1 . 2]" 1
705 1 66 PRO HA 1 67 VAL QG 4.800 . 4.800 4.320 4.097 4.465 . 0 0 "[ . 1 . 2]" 1
706 1 66 PRO HB2 1 67 VAL HA 4.700 . 4.700 4.472 4.324 4.645 . 0 0 "[ . 1 . 2]" 1
707 1 66 PRO QB 1 67 VAL H 3.300 . 3.300 2.275 1.997 2.747 . 0 0 "[ . 1 . 2]" 1
708 1 67 VAL H 1 67 VAL HB 4.100 . 4.100 2.410 2.304 2.623 . 0 0 "[ . 1 . 2]" 1
709 1 67 VAL H 1 67 VAL QG 3.400 . 3.400 2.290 2.202 2.396 . 0 0 "[ . 1 . 2]" 1
710 1 67 VAL HA 1 68 ASP H 3.100 . 3.100 2.725 2.640 2.805 . 0 0 "[ . 1 . 2]" 1
711 1 67 VAL HA 1 68 ASP HA 5.200 . 5.200 4.223 4.122 4.338 . 0 0 "[ . 1 . 2]" 1
712 1 67 VAL HA 1 73 PRO HA 5.000 . 5.000 4.798 4.340 5.010 0.010 10 0 "[ . 1 . 2]" 1
713 1 67 VAL HA 1 67 VAL HB 3.000 . 3.000 2.578 2.541 2.621 . 0 0 "[ . 1 . 2]" 1
714 1 67 VAL HB 1 68 ASP H 4.000 . 4.000 3.958 3.886 4.007 0.007 3 0 "[ . 1 . 2]" 1
715 1 67 VAL HB 1 73 PRO HA 4.400 . 4.400 4.198 4.070 4.290 . 0 0 "[ . 1 . 2]" 1
716 1 67 VAL MG1 1 71 GLY HA2 3.400 . 3.400 3.412 3.243 3.510 0.110 20 0 "[ . 1 . 2]" 1
717 1 67 VAL MG1 1 72 ASN H 4.500 . 4.500 4.167 3.796 4.505 0.005 3 0 "[ . 1 . 2]" 1
718 1 67 VAL MG2 1 71 GLY HA2 5.100 . 5.100 5.041 4.649 5.157 0.057 12 0 "[ . 1 . 2]" 1
719 1 67 VAL QG 1 68 ASP H 3.300 . 3.300 1.811 1.767 1.898 0.033 15 0 "[ . 1 . 2]" 1
720 1 67 VAL QG 1 71 GLY H 5.400 . 5.400 4.367 4.024 4.610 . 0 0 "[ . 1 . 2]" 1
721 1 67 VAL QG 1 71 GLY QA 4.700 . 4.700 3.281 3.136 3.359 . 0 0 "[ . 1 . 2]" 1
722 1 67 VAL QG 1 72 ASN H 4.600 . 4.600 3.894 3.625 4.200 . 0 0 "[ . 1 . 2]" 1
723 1 67 VAL QG 1 72 ASN HA 5.400 . 5.400 4.301 4.162 4.432 . 0 0 "[ . 1 . 2]" 1
724 1 67 VAL QG 1 73 PRO HA 3.600 . 3.600 1.752 1.711 1.795 0.089 11 0 "[ . 1 . 2]" 1
725 1 67 VAL QG 1 73 PRO QB 4.800 . 4.800 2.949 2.778 3.157 . 0 0 "[ . 1 . 2]" 1
726 1 67 VAL QG 1 74 TYR H 4.300 . 4.300 2.316 2.113 2.458 . 0 0 "[ . 1 . 2]" 1
727 1 67 VAL QG 1 74 TYR QD 4.700 . 4.700 2.374 1.980 3.340 . 0 0 "[ . 1 . 2]" 1
728 1 67 VAL QG 1 74 TYR QE 4.900 . 4.900 3.418 2.898 4.333 . 0 0 "[ . 1 . 2]" 1
729 1 67 VAL QG 1 75 GLN H 5.600 . 5.600 5.724 5.653 5.788 0.188 2 0 "[ . 1 . 2]" 1
730 1 68 ASP H 1 69 PRO QD 4.900 . 4.900 4.414 4.298 4.513 . 0 0 "[ . 1 . 2]" 1
731 1 68 ASP H 1 73 PRO HA 4.300 . 4.300 3.838 3.562 4.025 . 0 0 "[ . 1 . 2]" 1
732 1 68 ASP H 1 74 TYR H 5.100 . 5.100 4.028 3.578 4.370 . 0 0 "[ . 1 . 2]" 1
733 1 68 ASP H 1 74 TYR QB 5.200 . 5.200 4.905 4.509 5.224 0.024 17 0 "[ . 1 . 2]" 1
734 1 68 ASP QB 1 70 TRP HH2 5.200 . 5.200 5.325 5.215 5.485 0.285 6 0 "[ . 1 . 2]" 1
735 1 68 ASP QB 1 70 TRP HZ3 4.200 . 4.200 3.711 3.455 4.171 . 0 0 "[ . 1 . 2]" 1
736 1 69 PRO HA 1 70 TRP H 3.300 . 3.300 2.334 2.252 2.401 . 0 0 "[ . 1 . 2]" 1
737 1 69 PRO HA 1 71 GLY H 4.200 . 4.200 2.934 2.641 3.135 . 0 0 "[ . 1 . 2]" 1
738 1 69 PRO QB 1 70 TRP HA 3.900 . 3.900 3.998 3.945 4.066 0.166 17 0 "[ . 1 . 2]" 1
739 1 70 TRP H 1 70 TRP HD1 4.600 . 4.600 3.800 3.618 4.021 . 0 0 "[ . 1 . 2]" 1
740 1 70 TRP H 1 70 TRP QB 3.800 . 3.800 3.480 3.456 3.511 . 0 0 "[ . 1 . 2]" 1
741 1 70 TRP HA 1 70 TRP HD1 3.300 . 3.300 2.867 2.815 2.936 . 0 0 "[ . 1 . 2]" 1
742 1 70 TRP HA 1 70 TRP HE1 5.100 . 5.100 5.133 5.055 5.184 0.084 15 0 "[ . 1 . 2]" 1
743 1 70 TRP HA 1 70 TRP HE3 5.300 . 5.300 4.943 4.887 5.048 . 0 0 "[ . 1 . 2]" 1
744 1 70 TRP HD1 1 71 GLY H 5.500 . 5.500 5.556 5.534 5.575 0.075 15 0 "[ . 1 . 2]" 1
745 1 70 TRP HD1 1 92 ALA HA 4.700 . 4.700 3.518 2.819 4.068 . 0 0 "[ . 1 . 2]" 1
746 1 70 TRP HD1 1 92 ALA MB 3.700 . 3.700 3.042 2.759 3.424 . 0 0 "[ . 1 . 2]" 1
747 1 70 TRP HE1 1 92 ALA MB 3.800 . 3.800 2.675 2.229 2.973 . 0 0 "[ . 1 . 2]" 1
748 1 70 TRP HE3 1 71 GLY H 5.500 . 5.500 5.049 4.876 5.192 . 0 0 "[ . 1 . 2]" 1
749 1 70 TRP HE3 1 72 ASN H 3.800 . 3.800 3.837 3.623 3.932 0.132 10 0 "[ . 1 . 2]" 1
750 1 70 TRP HE3 1 105 ILE QG 5.100 . 5.100 4.781 4.008 5.144 0.044 11 0 "[ . 1 . 2]" 1
751 1 70 TRP HH2 1 91 GLY QA 4.600 . 4.600 3.781 3.122 4.633 0.033 12 0 "[ . 1 . 2]" 1
752 1 70 TRP HH2 1 105 ILE QG 4.000 . 4.000 2.714 2.037 3.451 . 0 0 "[ . 1 . 2]" 1
753 1 70 TRP HH2 1 105 ILE MG 3.900 . 3.900 3.081 2.382 3.614 . 0 0 "[ . 1 . 2]" 1
754 1 70 TRP HZ2 1 92 ALA MB 3.600 . 3.600 3.609 3.339 3.732 0.132 11 0 "[ . 1 . 2]" 1
755 1 70 TRP HZ3 1 91 GLY QA 4.300 . 4.300 3.228 2.514 4.020 . 0 0 "[ . 1 . 2]" 1
756 1 70 TRP HZ3 1 105 ILE MD 4.800 . 4.800 3.256 2.300 4.155 . 0 0 "[ . 1 . 2]" 1
757 1 70 TRP HZ3 1 105 ILE QG 3.800 . 3.800 2.704 2.152 3.046 . 0 0 "[ . 1 . 2]" 1
758 1 70 TRP HZ3 1 105 ILE MG 4.300 . 4.300 4.075 2.794 4.334 0.034 1 0 "[ . 1 . 2]" 1
759 1 70 TRP QB 1 70 TRP HE3 3.700 . 3.700 2.300 2.240 2.374 . 0 0 "[ . 1 . 2]" 1
760 1 70 TRP QB 1 71 GLY H 5.200 . 5.200 3.587 3.536 3.619 . 0 0 "[ . 1 . 2]" 1
761 1 71 GLY H 1 72 ASN H 3.200 . 3.200 2.852 2.677 3.088 . 0 0 "[ . 1 . 2]" 1
762 1 72 ASN H 1 72 ASN QB 3.500 . 3.500 2.465 2.183 2.691 . 0 0 "[ . 1 . 2]" 1
763 1 72 ASN H 1 72 ASN QD 4.900 . 4.900 3.042 2.316 4.058 . 0 0 "[ . 1 . 2]" 1
764 1 72 ASN H 1 90 LEU QB 5.600 . 5.600 5.663 5.582 5.733 0.133 6 0 "[ . 1 . 2]" 1
765 1 72 ASN HA 1 73 PRO HD2 3.900 . 3.900 2.364 2.024 2.896 . 0 0 "[ . 1 . 2]" 1
766 1 72 ASN HA 1 73 PRO HD3 3.900 . 3.900 2.131 1.895 2.506 . 0 0 "[ . 1 . 2]" 1
767 1 72 ASN HA 1 73 PRO QD 3.300 . 3.300 1.947 1.853 2.051 . 0 0 "[ . 1 . 2]" 1
768 1 72 ASN QD 1 90 LEU QB 4.400 . 4.400 3.225 2.664 3.860 . 0 0 "[ . 1 . 2]" 1
769 1 73 PRO HA 1 74 TYR H 3.500 . 3.500 2.252 2.197 2.337 . 0 0 "[ . 1 . 2]" 1
770 1 73 PRO HB2 1 74 TYR H 4.300 . 4.300 3.288 2.975 3.719 . 0 0 "[ . 1 . 2]" 1
771 1 73 PRO HB3 1 74 TYR H 4.300 . 4.300 3.628 3.324 3.940 . 0 0 "[ . 1 . 2]" 1
772 1 73 PRO QB 1 74 TYR H 3.500 . 3.500 3.018 2.866 3.189 . 0 0 "[ . 1 . 2]" 1
773 1 74 TYR H 1 74 TYR QB 3.500 . 3.500 2.332 2.180 2.427 . 0 0 "[ . 1 . 2]" 1
774 1 74 TYR H 1 89 SER QB 5.500 . 5.500 4.850 4.375 5.551 0.051 1 0 "[ . 1 . 2]" 1
775 1 74 TYR HA 1 75 GLN H 3.500 . 3.500 2.169 2.057 2.239 . 0 0 "[ . 1 . 2]" 1
776 1 74 TYR HA 1 75 GLN QG 3.900 . 3.900 3.593 3.279 3.907 0.007 1 0 "[ . 1 . 2]" 1
777 1 74 TYR HA 1 88 TYR H 5.300 . 5.300 5.077 4.823 5.315 0.015 19 0 "[ . 1 . 2]" 1
778 1 74 TYR HA 1 89 SER HA 4.800 . 4.800 2.820 2.495 3.051 . 0 0 "[ . 1 . 2]" 1
779 1 74 TYR QD 1 88 TYR H 4.700 . 4.700 4.217 3.657 4.641 . 0 0 "[ . 1 . 2]" 1
780 1 74 TYR QD 1 88 TYR HA 4.300 . 4.300 4.021 3.503 4.332 0.032 8 0 "[ . 1 . 2]" 1
781 1 74 TYR QD 1 89 SER H 5.500 . 5.500 4.059 3.600 4.565 . 0 0 "[ . 1 . 2]" 1
782 1 74 TYR QE 1 88 TYR HA 5.200 . 5.200 4.799 3.786 5.255 0.055 3 0 "[ . 1 . 2]" 1
783 1 75 GLN H 1 75 GLN HG2 4.000 . 4.000 2.308 2.070 3.822 . 0 0 "[ . 1 . 2]" 1
784 1 75 GLN H 1 75 GLN HG3 4.000 . 4.000 3.699 2.457 3.834 . 0 0 "[ . 1 . 2]" 1
785 1 75 GLN H 1 76 TYR H 5.500 . 5.500 4.257 4.163 4.358 . 0 0 "[ . 1 . 2]" 1
786 1 75 GLN H 1 88 TYR H 4.800 . 4.800 3.354 3.047 3.558 . 0 0 "[ . 1 . 2]" 1
787 1 75 GLN HA 1 75 GLN HE21 5.500 . 5.500 2.818 2.528 4.319 . 0 0 "[ . 1 . 2]" 1
788 1 75 GLN HA 1 75 GLN HE22 5.500 . 5.500 3.942 3.617 5.617 0.117 8 0 "[ . 1 . 2]" 1
789 1 75 GLN HA 1 76 TYR H 3.200 . 3.200 2.131 2.058 2.215 . 0 0 "[ . 1 . 2]" 1
790 1 75 GLN HA 1 76 TYR QD 4.700 . 4.700 4.216 3.365 4.418 . 0 0 "[ . 1 . 2]" 1
791 1 75 GLN HG2 1 88 TYR QE 4.700 . 4.700 3.927 3.616 4.672 . 0 0 "[ . 1 . 2]" 1
792 1 75 GLN HG3 1 88 TYR QE 4.700 . 4.700 2.825 2.404 4.681 . 0 0 "[ . 1 . 2]" 1
793 1 75 GLN QB 1 76 TYR H 4.400 . 4.400 3.337 3.203 3.423 . 0 0 "[ . 1 . 2]" 1
794 1 75 GLN QB 1 88 TYR H 4.800 . 4.800 3.338 3.052 3.635 . 0 0 "[ . 1 . 2]" 1
795 1 75 GLN QB 1 89 SER H 5.500 . 5.500 5.443 4.786 5.616 0.116 1 0 "[ . 1 . 2]" 1
796 1 75 GLN QE 1 90 LEU QB 4.500 . 4.500 4.435 4.110 4.566 0.066 16 0 "[ . 1 . 2]" 1
797 1 75 GLN QE 1 90 LEU QD 4.100 . 4.100 3.013 1.879 3.413 . 0 0 "[ . 1 . 2]" 1
798 1 75 GLN QG 1 88 TYR QD 4.200 . 4.200 3.007 2.807 4.281 0.081 8 0 "[ . 1 . 2]" 1
799 1 75 GLN QG 1 88 TYR QE 4.000 . 4.000 2.750 2.372 4.166 0.166 8 0 "[ . 1 . 2]" 1
800 1 75 GLN QG 1 89 SER H 5.300 . 5.300 4.033 3.816 5.319 0.019 8 0 "[ . 1 . 2]" 1
801 1 75 GLN QG 1 89 SER HA 4.900 . 4.900 2.164 1.861 2.830 . 0 0 "[ . 1 . 2]" 1
802 1 75 GLN QG 1 90 LEU QD 3.700 . 3.700 2.809 2.076 3.561 . 0 0 "[ . 1 . 2]" 1
803 1 76 TYR H 1 76 TYR QB 3.800 . 3.800 2.895 2.612 3.099 . 0 0 "[ . 1 . 2]" 1
804 1 76 TYR H 1 76 TYR QD 4.200 . 4.200 2.827 2.176 3.263 . 0 0 "[ . 1 . 2]" 1
805 1 76 TYR H 1 87 LEU QD 5.400 . 5.400 4.486 3.869 5.504 0.104 11 0 "[ . 1 . 2]" 1
806 1 76 TYR HA 1 77 LEU H 3.500 . 3.500 2.141 2.067 2.254 . 0 0 "[ . 1 . 2]" 1
807 1 76 TYR HA 1 87 LEU HA 4.700 . 4.700 3.199 2.646 3.661 . 0 0 "[ . 1 . 2]" 1
808 1 76 TYR HA 1 87 LEU QD 4.700 . 4.700 2.617 2.011 3.671 . 0 0 "[ . 1 . 2]" 1
809 1 76 TYR HA 1 88 TYR H 5.000 . 5.000 4.005 3.545 4.302 . 0 0 "[ . 1 . 2]" 1
810 1 76 TYR QB 1 77 LEU H 4.500 . 4.500 3.380 3.294 3.480 . 0 0 "[ . 1 . 2]" 1
811 1 76 TYR QB 1 87 LEU QD 5.400 . 5.400 3.035 2.074 3.895 . 0 0 "[ . 1 . 2]" 1
812 1 77 LEU H 1 77 LEU HG 3.500 . 3.500 3.242 2.942 3.408 . 0 0 "[ . 1 . 2]" 1
813 1 77 LEU H 1 77 LEU QD 4.100 . 4.100 3.590 3.422 3.678 . 0 0 "[ . 1 . 2]" 1
814 1 77 LEU H 1 86 ASP H 4.100 . 4.100 3.707 3.414 4.105 0.005 14 0 "[ . 1 . 2]" 1
815 1 77 LEU H 1 86 ASP QB 5.300 . 5.300 3.684 3.101 4.026 . 0 0 "[ . 1 . 2]" 1
816 1 77 LEU H 1 87 LEU HA 5.300 . 5.300 3.167 2.924 3.375 . 0 0 "[ . 1 . 2]" 1
817 1 77 LEU HA 1 77 LEU QD 3.300 . 3.300 2.083 2.027 2.209 . 0 0 "[ . 1 . 2]" 1
818 1 77 LEU HA 1 78 ALA H 3.100 . 3.100 2.340 2.184 2.428 . 0 0 "[ . 1 . 2]" 1
819 1 77 LEU HG 1 78 ALA H 5.300 . 5.300 4.955 4.872 5.119 . 0 0 "[ . 1 . 2]" 1
820 1 77 LEU QB 1 86 ASP H 5.000 . 5.000 3.239 2.938 3.522 . 0 0 "[ . 1 . 2]" 1
821 1 77 LEU QB 1 86 ASP HA 5.300 . 5.300 4.311 4.126 4.515 . 0 0 "[ . 1 . 2]" 1
822 1 77 LEU QD 1 78 ALA H 4.000 . 4.000 3.320 3.179 3.637 . 0 0 "[ . 1 . 2]" 1
823 1 77 LEU QD 1 88 TYR QD 4.500 . 4.500 3.937 3.545 4.517 0.017 11 0 "[ . 1 . 2]" 1
824 1 77 LEU QD 1 88 TYR QE 4.400 . 4.400 2.213 1.929 2.972 . 0 0 "[ . 1 . 2]" 1
825 1 78 ALA H 1 79 PRO QD 4.100 . 4.100 4.220 4.196 4.245 0.145 20 0 "[ . 1 . 2]" 1
826 1 78 ALA HA 1 86 ASP H 5.400 . 5.400 2.939 2.759 3.119 . 0 0 "[ . 1 . 2]" 1
827 1 78 ALA MB 1 79 PRO QD 4.000 . 4.000 1.789 1.775 1.805 0.025 6 0 "[ . 1 . 2]" 1
828 1 78 ALA MB 1 80 GLY H 5.400 . 5.400 5.423 5.308 5.461 0.061 11 0 "[ . 1 . 2]" 1
829 1 78 ALA MB 1 85 PHE HA 4.300 . 4.300 3.903 3.623 4.165 . 0 0 "[ . 1 . 2]" 1
830 1 78 ALA MB 1 85 PHE HB2 4.200 . 4.200 4.159 4.037 4.248 0.048 10 0 "[ . 1 . 2]" 1
831 1 78 ALA MB 1 85 PHE HB3 4.200 . 4.200 3.907 3.705 4.033 . 0 0 "[ . 1 . 2]" 1
832 1 78 ALA MB 1 85 PHE QB 3.600 . 3.600 3.579 3.435 3.638 0.038 14 0 "[ . 1 . 2]" 1
833 1 78 ALA MB 1 85 PHE QD 5.300 . 5.300 5.289 5.139 5.349 0.049 6 0 "[ . 1 . 2]" 1
834 1 78 ALA MB 1 86 ASP H 4.500 . 4.500 4.469 4.337 4.573 0.073 5 0 "[ . 1 . 2]" 1
835 1 79 PRO HA 1 81 THR H 4.700 . 4.700 4.671 4.350 4.776 0.076 13 0 "[ . 1 . 2]" 1
836 1 79 PRO HB2 1 80 GLY H 4.400 . 4.400 3.698 3.339 3.993 . 0 0 "[ . 1 . 2]" 1
837 1 79 PRO HB2 1 83 GLY QA 4.900 . 4.900 4.985 4.905 5.043 0.143 7 0 "[ . 1 . 2]" 1
838 1 79 PRO HB3 1 80 GLY H 4.400 . 4.400 3.886 3.652 4.061 . 0 0 "[ . 1 . 2]" 1
839 1 79 PRO HB3 1 83 GLY QA 4.200 . 4.200 4.254 4.068 4.316 0.116 7 0 "[ . 1 . 2]" 1
840 1 79 PRO QB 1 80 GLY H 3.600 . 3.600 3.369 3.093 3.587 . 0 0 "[ . 1 . 2]" 1
841 1 80 GLY H 1 81 THR H 4.700 . 4.700 2.815 2.309 3.076 . 0 0 "[ . 1 . 2]" 1
842 1 80 GLY H 1 85 PHE H 5.500 . 5.500 4.748 4.221 5.404 . 0 0 "[ . 1 . 2]" 1
843 1 80 GLY HA2 1 82 LYS H 5.500 . 5.500 5.168 4.595 5.510 0.010 1 0 "[ . 1 . 2]" 1
844 1 80 GLY HA3 1 82 LYS H 5.500 . 5.500 5.285 5.036 5.505 0.005 19 0 "[ . 1 . 2]" 1
845 1 80 GLY QA 1 83 GLY H 4.400 . 4.400 4.469 4.405 4.584 0.184 12 0 "[ . 1 . 2]" 1
846 1 81 THR H 1 81 THR HB 3.900 . 3.900 2.844 2.566 3.618 . 0 0 "[ . 1 . 2]" 1
847 1 81 THR H 1 81 THR MG 3.900 . 3.900 3.695 2.648 3.869 . 0 0 "[ . 1 . 2]" 1
848 1 81 THR H 1 82 LYS H 4.400 . 4.400 3.959 3.839 4.090 . 0 0 "[ . 1 . 2]" 1
849 1 81 THR H 1 83 GLY H 4.500 . 4.500 3.496 3.195 3.838 . 0 0 "[ . 1 . 2]" 1
850 1 81 THR HA 1 81 THR MG 3.000 . 3.000 2.251 2.169 2.329 . 0 0 "[ . 1 . 2]" 1
851 1 81 THR HA 1 83 GLY H 4.300 . 4.300 4.030 3.770 4.156 . 0 0 "[ . 1 . 2]" 1
852 1 81 THR HB 1 82 LYS H 4.200 . 4.200 4.177 3.843 4.270 0.070 9 0 "[ . 1 . 2]" 1
853 1 81 THR HB 1 82 LYS QG 3.700 . 3.700 3.702 3.254 3.838 0.138 13 0 "[ . 1 . 2]" 1
854 1 81 THR HB 1 83 GLY H 5.000 . 5.000 4.533 4.155 5.039 0.039 7 0 "[ . 1 . 2]" 1
855 1 81 THR MG 1 82 LYS H 4.600 . 4.600 3.461 3.175 4.139 . 0 0 "[ . 1 . 2]" 1
856 1 82 LYS H 1 82 LYS QB 3.500 . 3.500 3.294 2.894 3.458 . 0 0 "[ . 1 . 2]" 1
857 1 82 LYS H 1 82 LYS QD 5.500 . 5.500 3.352 2.565 5.109 . 0 0 "[ . 1 . 2]" 1
858 1 82 LYS H 1 82 LYS QG 4.400 . 4.400 3.127 2.834 3.720 . 0 0 "[ . 1 . 2]" 1
859 1 82 LYS H 1 83 GLY H 3.400 . 3.400 2.948 2.731 3.275 . 0 0 "[ . 1 . 2]" 1
860 1 82 LYS HA 1 82 LYS QG 3.500 . 3.500 3.139 2.559 3.522 0.022 9 0 "[ . 1 . 2]" 1
861 1 82 LYS HA 1 83 GLY H 3.500 . 3.500 3.247 2.891 3.513 0.013 18 0 "[ . 1 . 2]" 1
862 1 82 LYS HB2 1 83 GLY H 4.700 . 4.700 3.857 3.121 4.449 . 0 0 "[ . 1 . 2]" 1
863 1 82 LYS HB3 1 83 GLY H 4.700 . 4.700 4.412 4.015 4.686 . 0 0 "[ . 1 . 2]" 1
864 1 82 LYS QB 1 82 LYS QD 3.500 . 3.500 2.368 2.043 2.736 . 0 0 "[ . 1 . 2]" 1
865 1 82 LYS QB 1 83 GLY H 4.000 . 4.000 3.612 3.019 4.051 0.051 2 0 "[ . 1 . 2]" 1
866 1 82 LYS QG 1 83 GLY H 4.800 . 4.800 4.234 2.917 4.694 . 0 0 "[ . 1 . 2]" 1
867 1 83 GLY H 1 84 PRO HD2 4.900 . 4.900 4.887 4.672 4.965 0.065 7 0 "[ . 1 . 2]" 1
868 1 83 GLY H 1 84 PRO HD3 4.900 . 4.900 4.444 4.097 4.913 0.013 12 0 "[ . 1 . 2]" 1
869 1 83 GLY H 1 84 PRO QD 4.200 . 4.200 4.111 3.897 4.260 0.060 12 0 "[ . 1 . 2]" 1
870 1 83 GLY QA 1 84 PRO QD 3.300 . 3.300 1.889 1.841 1.954 . 0 0 "[ . 1 . 2]" 1
871 1 83 GLY QA 1 85 PHE H 3.800 . 3.800 3.384 2.990 3.804 0.004 14 0 "[ . 1 . 2]" 1
872 1 83 GLY QA 1 110 ASN QB 5.300 . 5.300 2.645 1.796 3.708 0.004 14 0 "[ . 1 . 2]" 1
873 1 84 PRO HA 1 85 PHE QD 5.500 . 5.500 4.484 4.184 4.922 . 0 0 "[ . 1 . 2]" 1
874 1 84 PRO HB2 1 85 PHE H 4.100 . 4.100 2.886 2.729 3.031 . 0 0 "[ . 1 . 2]" 1
875 1 84 PRO HB3 1 85 PHE H 4.100 . 4.100 4.106 4.019 4.143 0.043 18 0 "[ . 1 . 2]" 1
876 1 84 PRO QB 1 85 PHE QD 5.000 . 5.000 2.731 2.315 3.248 . 0 0 "[ . 1 . 2]" 1
877 1 84 PRO QD 1 85 PHE H 3.900 . 3.900 3.403 2.639 3.702 . 0 0 "[ . 1 . 2]" 1
878 1 84 PRO QG 1 85 PHE H 4.400 . 4.400 4.233 3.822 4.414 0.014 18 0 "[ . 1 . 2]" 1
879 1 85 PHE H 1 85 PHE QD 4.500 . 4.500 3.638 3.407 3.901 . 0 0 "[ . 1 . 2]" 1
880 1 85 PHE H 1 86 ASP H 4.500 . 4.500 4.306 4.218 4.403 . 0 0 "[ . 1 . 2]" 1
881 1 85 PHE HB2 1 86 ASP H 4.700 . 4.700 2.385 2.168 2.709 . 0 0 "[ . 1 . 2]" 1
882 1 85 PHE HB3 1 86 ASP H 4.700 . 4.700 3.685 3.566 3.839 . 0 0 "[ . 1 . 2]" 1
883 1 85 PHE QB 1 86 ASP H 3.900 . 3.900 2.356 2.150 2.657 . 0 0 "[ . 1 . 2]" 1
884 1 85 PHE QD 1 86 ASP H 4.500 . 4.500 3.372 3.064 3.771 . 0 0 "[ . 1 . 2]" 1
885 1 85 PHE QD 1 87 LEU H 4.900 . 4.900 3.331 2.977 4.099 . 0 0 "[ . 1 . 2]" 1
886 1 85 PHE QD 1 87 LEU HG 5.500 . 5.500 4.127 2.301 5.387 . 0 0 "[ . 1 . 2]" 1
887 1 85 PHE QD 1 107 ASN QD 5.200 . 5.200 4.489 3.413 5.237 0.037 19 0 "[ . 1 . 2]" 1
888 1 85 PHE QE 1 87 LEU QD 5.400 . 5.400 3.796 2.698 4.571 . 0 0 "[ . 1 . 2]" 1
889 1 85 PHE QE 1 107 ASN QD 4.300 . 4.300 2.893 1.773 3.905 0.027 10 0 "[ . 1 . 2]" 1
890 1 86 ASP H 1 86 ASP QB 3.300 . 3.300 2.592 2.235 2.797 . 0 0 "[ . 1 . 2]" 1
891 1 86 ASP HA 1 88 TYR QD 5.000 . 5.000 4.305 4.112 4.509 . 0 0 "[ . 1 . 2]" 1
892 1 86 ASP HA 1 88 TYR QE 5.400 . 5.400 5.210 4.850 5.429 0.029 1 0 "[ . 1 . 2]" 1
893 1 86 ASP HA 1 108 TRP HE3 5.100 . 5.100 3.102 2.460 4.272 . 0 0 "[ . 1 . 2]" 1
894 1 86 ASP HA 1 108 TRP HZ3 4.900 . 4.900 4.439 3.803 4.905 0.005 7 0 "[ . 1 . 2]" 1
895 1 86 ASP QB 1 87 LEU H 4.200 . 4.200 3.499 3.235 3.618 . 0 0 "[ . 1 . 2]" 1
896 1 86 ASP QB 1 88 TYR H 5.300 . 5.300 5.158 4.892 5.338 0.038 1 0 "[ . 1 . 2]" 1
897 1 86 ASP QB 1 88 TYR QD 3.600 . 3.600 3.068 2.676 3.510 . 0 0 "[ . 1 . 2]" 1
898 1 86 ASP QB 1 88 TYR QE 4.100 . 4.100 2.874 2.535 3.279 . 0 0 "[ . 1 . 2]" 1
899 1 86 ASP QB 1 108 TRP HZ3 4.000 . 4.000 3.898 2.707 4.087 0.087 4 0 "[ . 1 . 2]" 1
900 1 87 LEU H 1 87 LEU HG 4.800 . 4.800 4.464 2.556 4.880 0.080 14 0 "[ . 1 . 2]" 1
901 1 87 LEU H 1 87 LEU QD 4.900 . 4.900 3.657 3.216 3.902 . 0 0 "[ . 1 . 2]" 1
902 1 87 LEU H 1 88 TYR QD 4.700 . 4.700 3.611 3.413 3.803 . 0 0 "[ . 1 . 2]" 1
903 1 87 LEU H 1 107 ASN H 5.000 . 5.000 3.778 3.544 4.421 . 0 0 "[ . 1 . 2]" 1
904 1 87 LEU H 1 108 TRP HZ3 5.500 . 5.500 4.059 3.254 4.797 . 0 0 "[ . 1 . 2]" 1
905 1 87 LEU HA 1 87 LEU QD 3.700 . 3.700 2.255 1.884 3.409 . 0 0 "[ . 1 . 2]" 1
906 1 87 LEU HA 1 88 TYR QD 5.000 . 5.000 3.396 2.818 3.884 . 0 0 "[ . 1 . 2]" 1
907 1 87 LEU HG 1 107 ASN HD21 5.500 . 5.500 4.044 3.014 5.525 0.025 8 0 "[ . 1 . 2]" 1
908 1 87 LEU HG 1 107 ASN HD22 5.500 . 5.500 4.490 2.829 5.561 0.061 12 0 "[ . 1 . 2]" 1
909 1 87 LEU HG 1 107 ASN QD 4.800 . 4.800 3.639 2.750 4.501 . 0 0 "[ . 1 . 2]" 1
910 1 87 LEU MD1 1 88 TYR H 4.800 . 4.800 2.758 2.371 3.710 . 0 0 "[ . 1 . 2]" 1
911 1 87 LEU MD2 1 88 TYR H 4.800 . 4.800 3.116 2.198 4.827 0.027 1 0 "[ . 1 . 2]" 1
912 1 87 LEU QD 1 88 TYR H 4.000 . 4.000 2.448 2.110 3.595 . 0 0 "[ . 1 . 2]" 1
913 1 87 LEU QD 1 88 TYR HA 4.200 . 4.200 3.020 2.501 4.036 . 0 0 "[ . 1 . 2]" 1
914 1 87 LEU QD 1 89 SER H 5.400 . 5.400 4.590 4.052 5.424 0.024 19 0 "[ . 1 . 2]" 1
915 1 87 LEU QD 1 107 ASN H 4.600 . 4.600 3.094 1.996 4.635 0.035 15 0 "[ . 1 . 2]" 1
916 1 88 TYR H 1 88 TYR QD 4.200 . 4.200 3.150 2.800 3.438 . 0 0 "[ . 1 . 2]" 1
917 1 88 TYR H 1 88 TYR QE 5.100 . 5.100 4.723 4.418 4.887 . 0 0 "[ . 1 . 2]" 1
918 1 88 TYR HA 1 106 GLY QA 4.700 . 4.700 2.045 1.882 2.203 . 0 0 "[ . 1 . 2]" 1
919 1 88 TYR HA 1 107 ASN H 5.200 . 5.200 3.535 3.280 4.156 . 0 0 "[ . 1 . 2]" 1
920 1 88 TYR QB 1 89 SER H 5.100 . 5.100 2.389 2.239 2.533 . 0 0 "[ . 1 . 2]" 1
921 1 88 TYR QB 1 108 TRP HE3 4.200 . 4.200 3.516 3.084 3.991 . 0 0 "[ . 1 . 2]" 1
922 1 88 TYR QB 1 108 TRP HZ3 4.500 . 4.500 2.540 1.852 4.532 0.032 11 0 "[ . 1 . 2]" 1
923 1 88 TYR QD 1 89 SER H 4.500 . 4.500 3.428 3.189 3.625 . 0 0 "[ . 1 . 2]" 1
924 1 88 TYR QD 1 90 LEU HA 4.600 . 4.600 3.485 3.170 3.757 . 0 0 "[ . 1 . 2]" 1
925 1 88 TYR QD 1 90 LEU HG 4.700 . 4.700 4.633 4.294 4.765 0.065 6 0 "[ . 1 . 2]" 1
926 1 88 TYR QD 1 90 LEU QD 3.900 . 3.900 2.950 2.491 3.326 . 0 0 "[ . 1 . 2]" 1
927 1 88 TYR QD 1 96 GLU HA 5.000 . 5.000 4.866 4.548 5.061 0.061 3 0 "[ . 1 . 2]" 1
928 1 88 TYR QD 1 104 ASP HA 5.200 . 5.200 4.088 3.664 4.452 . 0 0 "[ . 1 . 2]" 1
929 1 88 TYR QD 1 108 TRP HH2 5.400 . 5.400 4.345 2.925 5.419 0.019 10 0 "[ . 1 . 2]" 1
930 1 88 TYR QE 1 90 LEU HA 4.600 . 4.600 4.186 3.909 4.565 . 0 0 "[ . 1 . 2]" 1
931 1 88 TYR QE 1 90 LEU HG 5.000 . 5.000 4.144 3.742 4.469 . 0 0 "[ . 1 . 2]" 1
932 1 88 TYR QE 1 90 LEU QD 3.400 . 3.400 2.312 1.955 2.707 . 0 0 "[ . 1 . 2]" 1
933 1 88 TYR QE 1 96 GLU HA 4.700 . 4.700 4.688 4.503 4.789 0.089 8 0 "[ . 1 . 2]" 1
934 1 88 TYR QE 1 96 GLU QG 5.500 . 5.500 3.438 2.478 4.036 . 0 0 "[ . 1 . 2]" 1
935 1 88 TYR QE 1 108 TRP HH2 5.500 . 5.500 4.702 2.678 5.528 0.028 2 0 "[ . 1 . 2]" 1
936 1 89 SER H 1 90 LEU QD 5.400 . 5.400 5.103 4.707 5.421 0.021 16 0 "[ . 1 . 2]" 1
937 1 89 SER H 1 104 ASP HA 5.500 . 5.500 4.435 3.969 4.664 . 0 0 "[ . 1 . 2]" 1
938 1 89 SER H 1 105 ILE H 5.200 . 5.200 3.050 2.843 3.332 . 0 0 "[ . 1 . 2]" 1
939 1 89 SER H 1 106 GLY QA 5.200 . 5.200 3.401 3.120 3.590 . 0 0 "[ . 1 . 2]" 1
940 1 90 LEU H 1 90 LEU HG 4.200 . 4.200 3.004 2.209 4.212 0.012 8 0 "[ . 1 . 2]" 1
941 1 90 LEU H 1 90 LEU MD1 4.700 . 4.700 3.279 2.449 3.784 . 0 0 "[ . 1 . 2]" 1
942 1 90 LEU H 1 90 LEU MD2 4.700 . 4.700 3.509 3.222 3.908 . 0 0 "[ . 1 . 2]" 1
943 1 90 LEU H 1 90 LEU QD 4.800 . 4.800 2.888 2.424 3.146 . 0 0 "[ . 1 . 2]" 1
944 1 90 LEU H 1 91 GLY H 4.700 . 4.700 4.634 4.542 4.687 . 0 0 "[ . 1 . 2]" 1
945 1 90 LEU HA 1 90 LEU HG 3.900 . 3.900 2.932 2.537 3.185 . 0 0 "[ . 1 . 2]" 1
946 1 90 LEU HA 1 90 LEU MD1 4.400 . 4.400 3.270 2.080 3.884 . 0 0 "[ . 1 . 2]" 1
947 1 90 LEU HA 1 90 LEU MD2 4.400 . 4.400 2.646 1.972 3.821 . 0 0 "[ . 1 . 2]" 1
948 1 90 LEU HA 1 90 LEU QD 3.300 . 3.300 2.082 1.965 2.317 . 0 0 "[ . 1 . 2]" 1
949 1 90 LEU HA 1 91 GLY QA 4.600 . 4.600 3.916 3.862 3.980 . 0 0 "[ . 1 . 2]" 1
950 1 90 LEU HA 1 96 GLU QB 4.100 . 4.100 3.776 3.273 4.178 0.078 10 0 "[ . 1 . 2]" 1
951 1 90 LEU HA 1 104 ASP QB 3.600 . 3.600 2.790 2.097 3.629 0.029 8 0 "[ . 1 . 2]" 1
952 1 90 LEU QB 1 91 GLY H 3.600 . 3.600 2.840 2.410 3.199 . 0 0 "[ . 1 . 2]" 1
953 1 90 LEU QB 1 94 GLY H 5.500 . 5.500 3.607 3.426 3.820 . 0 0 "[ . 1 . 2]" 1
954 1 90 LEU MD1 1 96 GLU H 5.500 . 5.500 4.322 3.490 5.184 . 0 0 "[ . 1 . 2]" 1
955 1 90 LEU MD2 1 96 GLU H 5.500 . 5.500 3.105 2.129 3.978 . 0 0 "[ . 1 . 2]" 1
956 1 90 LEU QD 1 94 GLY QA 3.800 . 3.800 2.720 2.210 3.547 . 0 0 "[ . 1 . 2]" 1
957 1 90 LEU QD 1 95 LYS H 4.400 . 4.400 3.533 3.242 3.991 . 0 0 "[ . 1 . 2]" 1
958 1 90 LEU QD 1 95 LYS HA 4.200 . 4.200 2.806 2.002 3.428 . 0 0 "[ . 1 . 2]" 1
959 1 90 LEU QD 1 96 GLU H 4.500 . 4.500 2.989 2.118 3.648 . 0 0 "[ . 1 . 2]" 1
960 1 90 LEU QD 1 96 GLU HA 3.800 . 3.800 3.335 2.886 3.805 0.005 6 0 "[ . 1 . 2]" 1
961 1 90 LEU QD 1 96 GLU QB 4.000 . 4.000 2.424 1.974 3.093 . 0 0 "[ . 1 . 2]" 1
962 1 90 LEU QD 1 96 GLU QG 4.300 . 4.300 3.163 2.022 4.026 . 0 0 "[ . 1 . 2]" 1
963 1 90 LEU QD 1 97 GLY H 5.400 . 5.400 4.931 4.392 5.318 . 0 0 "[ . 1 . 2]" 1
964 1 91 GLY H 1 92 ALA H 4.800 . 4.800 4.447 4.241 4.567 . 0 0 "[ . 1 . 2]" 1
965 1 91 GLY H 1 93 ASP H 5.500 . 5.500 4.492 4.016 4.894 . 0 0 "[ . 1 . 2]" 1
966 1 91 GLY H 1 105 ILE QG 5.500 . 5.500 5.188 4.757 5.514 0.014 5 0 "[ . 1 . 2]" 1
967 1 91 GLY H 1 105 ILE MG 5.500 . 5.500 5.471 5.112 5.569 0.069 12 0 "[ . 1 . 2]" 1
968 1 91 GLY QA 1 93 ASP H 4.400 . 4.400 3.264 3.039 3.495 . 0 0 "[ . 1 . 2]" 1
969 1 91 GLY QA 1 101 ASN HD21 5.100 . 5.100 5.163 5.011 5.221 0.121 11 0 "[ . 1 . 2]" 1
970 1 92 ALA H 1 92 ALA MB 3.500 . 3.500 2.190 2.143 2.219 . 0 0 "[ . 1 . 2]" 1
971 1 92 ALA H 1 93 ASP H 4.200 . 4.200 2.866 2.692 3.117 . 0 0 "[ . 1 . 2]" 1
972 1 92 ALA H 1 101 ASN QB 5.200 . 5.200 4.337 3.224 5.259 0.059 16 0 "[ . 1 . 2]" 1
973 1 92 ALA H 1 102 ASP HA 4.900 . 4.900 2.413 1.800 3.259 . 0 0 "[ . 1 . 2]" 1
974 1 92 ALA MB 1 93 ASP H 3.700 . 3.700 3.001 2.685 3.308 . 0 0 "[ . 1 . 2]" 1
975 1 92 ALA MB 1 101 ASN HD21 4.100 . 4.100 2.070 1.784 2.839 0.016 13 0 "[ . 1 . 2]" 1
976 1 92 ALA MB 1 101 ASN HD22 3.900 . 3.900 2.511 1.844 3.049 . 0 0 "[ . 1 . 2]" 1
977 1 92 ALA MB 1 101 ASN QB 4.000 . 4.000 3.205 2.557 3.942 . 0 0 "[ . 1 . 2]" 1
978 1 92 ALA MB 1 101 ASN QD 3.700 . 3.700 1.872 1.761 2.220 0.039 3 0 "[ . 1 . 2]" 1
979 1 93 ASP H 1 93 ASP QB 3.600 . 3.600 2.423 2.309 2.716 . 0 0 "[ . 1 . 2]" 1
980 1 93 ASP QB 1 94 GLY H 4.300 . 4.300 3.441 3.161 3.863 . 0 0 "[ . 1 . 2]" 1
981 1 95 LYS H 1 95 LYS QB 3.700 . 3.700 2.560 2.240 2.722 . 0 0 "[ . 1 . 2]" 1
982 1 95 LYS H 1 95 LYS QG 4.600 . 4.600 3.722 2.846 4.292 . 0 0 "[ . 1 . 2]" 1
983 1 95 LYS H 1 96 GLU H 5.500 . 5.500 4.337 4.245 4.481 . 0 0 "[ . 1 . 2]" 1
984 1 95 LYS HB2 1 96 GLU H 4.300 . 4.300 4.068 3.810 4.320 0.020 9 0 "[ . 1 . 2]" 1
985 1 95 LYS HB3 1 96 GLU H 4.300 . 4.300 3.572 2.739 4.149 . 0 0 "[ . 1 . 2]" 1
986 1 95 LYS QB 1 95 LYS QE 4.100 . 4.100 3.220 1.909 3.851 . 0 0 "[ . 1 . 2]" 1
987 1 95 LYS QB 1 96 GLU H 3.700 . 3.700 3.313 2.688 3.714 0.014 8 0 "[ . 1 . 2]" 1
988 1 95 LYS QG 1 96 GLU H 5.300 . 5.300 3.155 2.053 4.621 . 0 0 "[ . 1 . 2]" 1
989 1 96 GLU H 1 96 GLU QB 3.600 . 3.600 2.781 2.219 3.018 . 0 0 "[ . 1 . 2]" 1
990 1 96 GLU H 1 96 GLU QG 4.300 . 4.300 2.471 1.888 4.111 . 0 0 "[ . 1 . 2]" 1
991 1 96 GLU HA 1 96 GLU QG 3.900 . 3.900 3.349 2.534 3.578 . 0 0 "[ . 1 . 2]" 1
992 1 96 GLU HA 1 97 GLY H 3.400 . 3.400 2.081 2.003 2.137 . 0 0 "[ . 1 . 2]" 1
993 1 96 GLU QB 1 97 GLY H 4.000 . 4.000 3.456 3.183 3.955 . 0 0 "[ . 1 . 2]" 1
994 1 96 GLU QG 1 97 GLY H 4.900 . 4.900 4.489 3.625 4.940 0.040 9 0 "[ . 1 . 2]" 1
995 1 97 GLY H 1 98 GLY H 4.700 . 4.700 4.333 4.296 4.427 . 0 0 "[ . 1 . 2]" 1
996 1 97 GLY QA 1 98 GLY H 3.000 . 3.000 2.295 2.233 2.342 . 0 0 "[ . 1 . 2]" 1
997 1 98 GLY H 1 99 SER H 4.700 . 4.700 4.352 4.175 4.439 . 0 0 "[ . 1 . 2]" 1
998 1 98 GLY H 1 99 SER QB 4.600 . 4.600 4.623 4.095 4.686 0.086 20 0 "[ . 1 . 2]" 1
999 1 99 SER H 1 99 SER HB2 4.000 . 4.000 3.149 3.003 3.601 . 0 0 "[ . 1 . 2]" 1
1000 1 99 SER H 1 99 SER HB3 4.000 . 4.000 3.914 3.152 4.011 0.011 10 0 "[ . 1 . 2]" 1
1001 1 99 SER H 1 99 SER QB 3.300 . 3.300 2.999 2.914 3.034 . 0 0 "[ . 1 . 2]" 1
1002 1 99 SER H 1 103 ALA HA 5.200 . 5.200 3.798 3.046 4.645 . 0 0 "[ . 1 . 2]" 1
1003 1 99 SER H 1 103 ALA MB 4.900 . 4.900 1.877 1.744 2.167 0.056 3 0 "[ . 1 . 2]" 1
1004 1 99 SER HA 1 101 ASN H 5.300 . 5.300 5.109 4.368 5.324 0.024 14 0 "[ . 1 . 2]" 1
1005 1 99 SER HA 1 102 ASP H 5.200 . 5.200 4.864 4.587 5.224 0.024 20 0 "[ . 1 . 2]" 1
1006 1 99 SER HA 1 103 ALA H 5.200 . 5.200 5.201 4.923 5.249 0.049 4 0 "[ . 1 . 2]" 1
1007 1 99 SER HB2 1 100 ASP H 4.300 . 4.300 3.483 3.324 3.688 . 0 0 "[ . 1 . 2]" 1
1008 1 99 SER HB3 1 100 ASP H 4.300 . 4.300 2.290 2.105 3.349 . 0 0 "[ . 1 . 2]" 1
1009 1 99 SER QB 1 102 ASP H 4.500 . 4.500 2.402 2.046 2.850 . 0 0 "[ . 1 . 2]" 1
1010 1 100 ASP H 1 103 ALA MB 4.800 . 4.800 4.054 3.864 4.700 . 0 0 "[ . 1 . 2]" 1
1011 1 100 ASP HA 1 102 ASP H 4.800 . 4.800 4.667 4.406 4.842 0.042 2 0 "[ . 1 . 2]" 1
1012 1 100 ASP HB2 1 101 ASN H 4.300 . 4.300 2.638 1.954 3.803 . 0 0 "[ . 1 . 2]" 1
1013 1 100 ASP HB3 1 101 ASN H 4.300 . 4.300 2.958 2.255 4.166 . 0 0 "[ . 1 . 2]" 1
1014 1 100 ASP QB 1 101 ASN H 3.700 . 3.700 2.338 1.930 3.522 . 0 0 "[ . 1 . 2]" 1
1015 1 101 ASN H 1 102 ASP H 4.500 . 4.500 2.165 1.841 2.345 . 0 0 "[ . 1 . 2]" 1
1016 1 101 ASN H 1 102 ASP QB 5.000 . 5.000 4.239 3.612 4.563 . 0 0 "[ . 1 . 2]" 1
1017 1 101 ASN HA 1 103 ALA H 3.800 . 3.800 3.536 3.266 3.821 0.021 20 0 "[ . 1 . 2]" 1
1018 1 101 ASN HD21 1 102 ASP HA 4.900 . 4.900 3.824 3.342 4.924 0.024 2 0 "[ . 1 . 2]" 1
1019 1 101 ASN QB 1 102 ASP H 3.800 . 3.800 3.393 2.510 3.810 0.010 8 0 "[ . 1 . 2]" 1
1020 1 102 ASP H 1 102 ASP QB 3.400 . 3.400 2.448 2.217 2.613 . 0 0 "[ . 1 . 2]" 1
1021 1 102 ASP H 1 103 ALA H 3.300 . 3.300 2.446 2.231 2.611 . 0 0 "[ . 1 . 2]" 1
1022 1 102 ASP H 1 103 ALA MB 4.200 . 4.200 3.883 3.735 4.030 . 0 0 "[ . 1 . 2]" 1
1023 1 102 ASP QB 1 103 ALA H 3.800 . 3.800 3.460 2.772 3.635 . 0 0 "[ . 1 . 2]" 1
1024 1 103 ALA H 1 103 ALA MB 3.200 . 3.200 2.276 2.243 2.328 . 0 0 "[ . 1 . 2]" 1
1025 1 103 ALA H 1 104 ASP H 4.800 . 4.800 4.516 4.434 4.588 . 0 0 "[ . 1 . 2]" 1
1026 1 103 ALA HA 1 104 ASP H 3.200 . 3.200 2.281 2.212 2.346 . 0 0 "[ . 1 . 2]" 1
1027 1 103 ALA MB 1 104 ASP H 3.500 . 3.500 2.491 2.285 2.620 . 0 0 "[ . 1 . 2]" 1
1028 1 103 ALA MB 1 104 ASP QB 5.300 . 5.300 4.400 4.025 4.566 . 0 0 "[ . 1 . 2]" 1
1029 1 104 ASP H 1 104 ASP HB2 4.100 . 4.100 3.472 2.581 3.693 . 0 0 "[ . 1 . 2]" 1
1030 1 104 ASP H 1 104 ASP HB3 4.100 . 4.100 2.847 2.551 3.638 . 0 0 "[ . 1 . 2]" 1
1031 1 104 ASP H 1 104 ASP QB 3.300 . 3.300 2.625 2.506 2.756 . 0 0 "[ . 1 . 2]" 1
1032 1 104 ASP HA 1 105 ILE H 3.500 . 3.500 2.108 2.014 2.159 . 0 0 "[ . 1 . 2]" 1
1033 1 105 ILE H 1 105 ILE MD 5.100 . 5.100 3.063 2.629 3.807 . 0 0 "[ . 1 . 2]" 1
1034 1 105 ILE H 1 105 ILE QG 3.800 . 3.800 1.988 1.879 2.112 . 0 0 "[ . 1 . 2]" 1
1035 1 105 ILE H 1 105 ILE MG 4.400 . 4.400 2.850 2.657 3.052 . 0 0 "[ . 1 . 2]" 1
1036 1 105 ILE HA 1 105 ILE MD 4.100 . 4.100 3.756 3.667 4.142 0.042 1 0 "[ . 1 . 2]" 1
1037 1 105 ILE MD 1 106 GLY H 5.300 . 5.300 4.158 3.581 5.228 . 0 0 "[ . 1 . 2]" 1
1038 1 105 ILE QG 1 106 GLY H 5.000 . 5.000 4.721 4.319 4.845 . 0 0 "[ . 1 . 2]" 1
1039 1 105 ILE MD 1 105 ILE MG 3.200 . 3.200 3.126 1.806 3.224 0.024 20 0 "[ . 1 . 2]" 1
1040 1 105 ILE QG 1 105 ILE MG 3.000 . 3.000 2.071 2.037 2.359 . 0 0 "[ . 1 . 2]" 1
1041 1 106 GLY QA 1 107 ASN H 3.100 . 3.100 2.154 2.040 2.250 . 0 0 "[ . 1 . 2]" 1
1042 1 107 ASN H 1 108 TRP H 4.500 . 4.500 4.220 4.000 4.463 . 0 0 "[ . 1 . 2]" 1
1043 1 107 ASN H 1 108 TRP HE3 5.400 . 5.400 3.661 3.062 5.352 . 0 0 "[ . 1 . 2]" 1
1044 1 107 ASN HA 1 108 TRP H 3.300 . 3.300 2.286 2.144 2.478 . 0 0 "[ . 1 . 2]" 1
1045 1 107 ASN HB2 1 108 TRP H 4.600 . 4.600 3.167 2.429 4.245 . 0 0 "[ . 1 . 2]" 1
1046 1 107 ASN HB3 1 108 TRP H 4.600 . 4.600 3.966 3.713 4.311 . 0 0 "[ . 1 . 2]" 1
1047 1 107 ASN QB 1 108 TRP H 3.800 . 3.800 2.979 2.399 3.785 . 0 0 "[ . 1 . 2]" 1
1048 1 108 TRP H 1 108 TRP QB 3.900 . 3.900 3.043 2.482 3.386 . 0 0 "[ . 1 . 2]" 1
1049 1 108 TRP H 1 109 ASP H 4.600 . 4.600 4.229 4.064 4.317 . 0 0 "[ . 1 . 2]" 1
1050 1 108 TRP HA 1 108 TRP HD1 4.500 . 4.500 4.147 3.651 4.433 . 0 0 "[ . 1 . 2]" 1
1051 1 108 TRP HA 1 108 TRP HE3 4.700 . 4.700 4.043 3.266 4.429 . 0 0 "[ . 1 . 2]" 1
1052 1 108 TRP HD1 1 109 ASP H 4.400 . 4.400 3.485 2.782 4.086 . 0 0 "[ . 1 . 2]" 1
1053 1 108 TRP HD1 1 109 ASP QB 5.300 . 5.300 4.923 4.473 5.314 0.014 17 0 "[ . 1 . 2]" 1
1054 1 108 TRP HD1 1 110 ASN H 4.100 . 4.100 3.566 3.073 4.136 0.036 18 0 "[ . 1 . 2]" 1
1055 1 108 TRP HD1 1 110 ASN HA 4.800 . 4.800 4.291 3.792 4.810 0.010 14 0 "[ . 1 . 2]" 1
1056 1 108 TRP HD1 1 110 ASN QB 4.300 . 4.300 2.373 1.875 3.245 . 0 0 "[ . 1 . 2]" 1
1057 1 108 TRP HE3 1 109 ASP H 5.600 . 5.600 5.575 5.214 5.668 0.068 17 0 "[ . 1 . 2]" 1
1058 1 108 TRP QB 1 108 TRP HD1 3.400 . 3.400 2.760 2.559 2.869 . 0 0 "[ . 1 . 2]" 1
1059 1 108 TRP QB 1 108 TRP HE3 3.600 . 3.600 2.347 2.260 2.563 . 0 0 "[ . 1 . 2]" 1
1060 1 109 ASP H 1 109 ASP HB2 4.000 . 4.000 2.916 2.545 3.166 . 0 0 "[ . 1 . 2]" 1
1061 1 109 ASP H 1 109 ASP HB3 4.000 . 4.000 2.846 2.548 3.809 . 0 0 "[ . 1 . 2]" 1
1062 1 109 ASP H 1 109 ASP QB 3.400 . 3.400 2.509 2.355 2.691 . 0 0 "[ . 1 . 2]" 1
1063 1 109 ASP H 1 110 ASN H 4.400 . 4.400 4.131 3.720 4.314 . 0 0 "[ . 1 . 2]" 1
1064 1 110 ASN H 1 110 ASN HB2 3.900 . 3.900 3.558 3.121 3.918 0.018 19 0 "[ . 1 . 2]" 1
1065 1 110 ASN H 1 110 ASN HB3 3.900 . 3.900 3.022 2.551 3.339 . 0 0 "[ . 1 . 2]" 1
1066 1 110 ASN H 1 110 ASN QB 3.100 . 3.100 2.863 2.462 3.140 0.040 3 0 "[ . 1 . 2]" 1
1067 1 110 ASN H 1 110 ASN QD 5.300 . 5.300 4.161 2.565 4.893 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 86
_Distance_constraint_stats_list.Viol_count 725
_Distance_constraint_stats_list.Viol_total 989.410
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0501
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0288
_Distance_constraint_stats_list.Viol_average_violations_only 0.0682
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ARG 0.022 0.010 15 0 "[ . 1 . 2]"
1 5 ASP 2.890 0.140 17 0 "[ . 1 . 2]"
1 7 ALA 0.022 0.010 15 0 "[ . 1 . 2]"
1 8 LYS 0.276 0.049 20 0 "[ . 1 . 2]"
1 9 VAL 2.897 0.140 17 0 "[ . 1 . 2]"
1 11 VAL 0.209 0.075 1 0 "[ . 1 . 2]"
1 12 ALA 0.349 0.049 20 0 "[ . 1 . 2]"
1 13 LYS 4.519 0.219 19 0 "[ . 1 . 2]"
1 14 GLY 0.322 0.048 1 0 "[ . 1 . 2]"
1 15 ASP 0.360 0.075 1 0 "[ . 1 . 2]"
1 16 ILE 0.110 0.032 2 0 "[ . 1 . 2]"
1 17 LYS 6.994 0.219 19 0 "[ . 1 . 2]"
1 18 ALA 0.501 0.054 2 0 "[ . 1 . 2]"
1 19 ILE 0.805 0.065 16 0 "[ . 1 . 2]"
1 20 ALA 0.038 0.032 2 0 "[ . 1 . 2]"
1 21 ALA 3.069 0.136 13 0 "[ . 1 . 2]"
1 22 ALA 0.179 0.054 2 0 "[ . 1 . 2]"
1 23 LEU 0.653 0.065 16 0 "[ . 1 . 2]"
1 24 ASP 0.813 0.080 12 0 "[ . 1 . 2]"
1 25 MET 0.587 0.077 3 0 "[ . 1 . 2]"
1 26 TYR 0.029 0.029 2 0 "[ . 1 . 2]"
1 27 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 0.813 0.080 12 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASN 0.029 0.029 2 0 "[ . 1 . 2]"
1 35 SER 6.524 0.209 7 0 "[ . 1 . 2]"
1 36 THR 1.408 0.115 5 0 "[ . 1 . 2]"
1 37 GLN 1.683 0.110 4 0 "[ . 1 . 2]"
1 38 GLN 1.700 0.108 12 0 "[ . 1 . 2]"
1 39 GLY 5.776 0.209 7 0 "[ . 1 . 2]"
1 40 LEU 3.366 0.138 4 0 "[ . 1 . 2]"
1 41 GLU 0.791 0.077 8 0 "[ . 1 . 2]"
1 42 ALA 0.145 0.021 12 0 "[ . 1 . 2]"
1 43 LEU 0.977 0.074 14 0 "[ . 1 . 2]"
1 44 VAL 1.683 0.138 4 0 "[ . 1 . 2]"
1 45 LYS 0.791 0.077 8 0 "[ . 1 . 2]"
1 56 TRP 0.108 0.021 12 0 "[ . 1 . 2]"
1 57 ASN 0.324 0.065 3 0 "[ . 1 . 2]"
1 60 GLY 0.062 0.020 10 0 "[ . 1 . 2]"
1 62 LEU 0.324 0.065 3 0 "[ . 1 . 2]"
1 63 LYS 0.054 0.018 13 0 "[ . 1 . 2]"
1 65 LEU 0.054 0.018 13 0 "[ . 1 . 2]"
1 68 ASP 2.861 0.216 16 0 "[ . 1 . 2]"
1 69 PRO 6.520 0.260 19 0 "[ . 1 . 2]"
1 72 ASN 9.381 0.260 19 0 "[ . 1 . 2]"
1 75 GLN 2.408 0.156 8 0 "[ . 1 . 2]"
1 77 LEU 0.203 0.047 12 0 "[ . 1 . 2]"
1 78 ALA 1.408 0.115 5 0 "[ . 1 . 2]"
1 80 GLY 2.084 0.175 2 0 "[ . 1 . 2]"
1 83 GLY 2.084 0.175 2 0 "[ . 1 . 2]"
1 85 PHE 5.321 0.242 14 0 "[ . 1 . 2]"
1 86 ASP 0.203 0.047 12 0 "[ . 1 . 2]"
1 87 LEU 3.198 0.157 9 0 "[ . 1 . 2]"
1 88 TYR 0.989 0.080 16 0 "[ . 1 . 2]"
1 89 SER 0.044 0.023 4 0 "[ . 1 . 2]"
1 90 LEU 1.419 0.156 8 0 "[ . 1 . 2]"
1 105 ILE 0.044 0.023 4 0 "[ . 1 . 2]"
1 107 ASN 3.198 0.157 9 0 "[ . 1 . 2]"
1 109 ASP 5.321 0.242 14 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 ARG O 1 7 ALA H 2.000 . 2.300 2.081 1.866 2.310 0.010 15 0 "[ . 1 . 2]" 2
2 1 3 ARG O 1 7 ALA N 3.000 2.700 3.300 2.829 2.696 3.077 0.004 4 0 "[ . 1 . 2]" 2
3 1 5 ASP O 1 9 VAL H 3.000 2.700 3.300 2.644 2.616 2.671 0.084 9 0 "[ . 1 . 2]" 2
4 1 5 ASP O 1 9 VAL N 3.000 2.700 3.300 3.388 3.302 3.440 0.140 17 0 "[ . 1 . 2]" 2
5 1 8 LYS O 1 12 ALA H 2.000 . 2.300 2.298 2.165 2.349 0.049 20 0 "[ . 1 . 2]" 2
6 1 8 LYS O 1 12 ALA N 3.000 2.700 3.300 3.194 3.104 3.299 . 0 0 "[ . 1 . 2]" 2
7 1 9 VAL O 1 13 LYS H 2.000 . 2.300 2.145 1.959 2.306 0.006 12 0 "[ . 1 . 2]" 2
8 1 9 VAL O 1 13 LYS N 3.000 2.700 3.300 3.030 2.892 3.183 . 0 0 "[ . 1 . 2]" 2
9 1 11 VAL O 1 15 ASP H 2.000 . 2.300 2.219 2.063 2.375 0.075 1 0 "[ . 1 . 2]" 2
10 1 11 VAL O 1 15 ASP N 3.000 2.700 3.300 3.023 2.830 3.194 . 0 0 "[ . 1 . 2]" 2
11 1 12 ALA O 1 16 ILE H 2.000 . 2.300 1.869 1.777 2.145 0.023 1 0 "[ . 1 . 2]" 2
12 1 12 ALA O 1 16 ILE N 3.000 2.700 3.300 2.824 2.733 3.034 . 0 0 "[ . 1 . 2]" 2
13 1 13 LYS O 1 17 LYS H 3.000 2.700 3.300 2.641 2.574 2.668 0.126 1 0 "[ . 1 . 2]" 2
14 1 13 LYS O 1 17 LYS N 3.000 2.700 3.300 3.467 3.404 3.519 0.219 19 0 "[ . 1 . 2]" 2
15 1 14 GLY O 1 18 ALA H 2.000 . 2.300 2.297 2.202 2.348 0.048 1 0 "[ . 1 . 2]" 2
16 1 14 GLY O 1 18 ALA N 3.000 2.700 3.300 3.087 3.010 3.199 . 0 0 "[ . 1 . 2]" 2
17 1 15 ASP O 1 19 ILE H 2.000 . 2.300 2.171 1.949 2.351 0.051 11 0 "[ . 1 . 2]" 2
18 1 15 ASP O 1 19 ILE N 3.000 2.700 3.300 3.074 2.886 3.244 . 0 0 "[ . 1 . 2]" 2
19 1 16 ILE O 1 20 ALA H 2.000 . 2.300 2.117 1.901 2.332 0.032 2 0 "[ . 1 . 2]" 2
20 1 16 ILE O 1 20 ALA N 3.000 2.700 3.300 3.026 2.823 3.240 . 0 0 "[ . 1 . 2]" 2
21 1 17 LYS O 1 21 ALA H 3.000 2.700 3.300 2.629 2.602 2.668 0.098 4 0 "[ . 1 . 2]" 2
22 1 17 LYS O 1 21 ALA N 3.000 2.700 3.300 3.352 3.270 3.436 0.136 13 0 "[ . 1 . 2]" 2
23 1 18 ALA O 1 22 ALA H 2.000 . 2.300 2.241 1.978 2.354 0.054 2 0 "[ . 1 . 2]" 2
24 1 18 ALA O 1 22 ALA N 3.000 2.700 3.300 3.077 2.859 3.239 . 0 0 "[ . 1 . 2]" 2
25 1 19 ILE O 1 23 LEU H 2.000 . 2.300 1.778 1.735 1.863 0.065 16 0 "[ . 1 . 2]" 2
26 1 19 ILE O 1 23 LEU N 3.000 2.700 3.300 2.700 2.673 2.740 0.027 17 0 "[ . 1 . 2]" 2
27 1 21 ALA O 1 25 MET H 3.000 2.700 3.300 2.694 2.652 2.767 0.048 17 0 "[ . 1 . 2]" 2
28 1 21 ALA O 1 25 MET N 3.000 2.700 3.300 3.291 3.207 3.377 0.077 3 0 "[ . 1 . 2]" 2
29 1 22 ALA O 1 26 TYR H 2.000 . 2.300 2.068 1.944 2.232 . 0 0 "[ . 1 . 2]" 2
30 1 22 ALA O 1 26 TYR N 3.000 2.700 3.300 2.946 2.839 3.120 . 0 0 "[ . 1 . 2]" 2
31 1 23 LEU O 1 27 LYS H 2.000 . 2.300 1.958 1.833 2.088 . 0 0 "[ . 1 . 2]" 2
32 1 23 LEU O 1 27 LYS N 3.000 2.700 3.300 2.878 2.773 3.010 . 0 0 "[ . 1 . 2]" 2
33 1 24 ASP O 1 28 LEU H 2.000 . 2.300 2.312 2.020 2.380 0.080 12 0 "[ . 1 . 2]" 2
34 1 24 ASP O 1 28 LEU N 3.000 2.700 3.300 3.057 2.850 3.191 . 0 0 "[ . 1 . 2]" 2
35 1 25 MET O 1 29 ASP H 2.000 . 2.300 1.995 1.889 2.220 . 0 0 "[ . 1 . 2]" 2
36 1 25 MET O 1 29 ASP N 3.000 2.700 3.300 2.797 2.706 2.990 . 0 0 "[ . 1 . 2]" 2
37 1 26 TYR O 1 30 ASN H 2.000 . 2.300 1.897 1.771 2.091 0.029 2 0 "[ . 1 . 2]" 2
38 1 26 TYR O 1 30 ASN N 3.000 2.700 3.300 2.797 2.719 2.901 . 0 0 "[ . 1 . 2]" 2
39 1 35 SER H 1 39 GLY N 2.300 . 2.300 2.468 2.422 2.509 0.209 7 0 "[ . 1 . 2]" 2
40 1 35 SER N 1 39 GLY N 3.200 . 3.200 3.271 3.235 3.307 0.107 14 0 "[ . 1 . 2]" 2
41 1 35 SER OG 1 38 GLN H 2.000 . 2.000 2.083 2.037 2.108 0.108 12 0 "[ . 1 . 2]" 2
42 1 35 SER OG 1 38 GLN N 3.200 . 3.200 2.818 2.783 2.854 . 0 0 "[ . 1 . 2]" 2
43 1 35 SER O 1 39 GLY H 2.000 . 2.300 2.257 2.138 2.326 0.026 6 0 "[ . 1 . 2]" 2
44 1 35 SER O 1 39 GLY N 3.000 2.700 3.300 2.800 2.743 2.863 . 0 0 "[ . 1 . 2]" 2
45 1 37 GLN O 1 40 LEU H 3.000 2.700 3.300 2.694 2.667 2.772 0.033 20 0 "[ . 1 . 2]" 2
46 1 37 GLN O 1 40 LEU N 3.000 2.700 3.300 3.371 3.341 3.410 0.110 4 0 "[ . 1 . 2]" 2
47 1 38 GLN O 1 42 ALA H 2.000 . 2.300 2.101 1.852 2.320 0.020 18 0 "[ . 1 . 2]" 2
48 1 38 GLN O 1 42 ALA N 3.000 2.700 3.300 2.834 2.684 3.001 0.016 2 0 "[ . 1 . 2]" 2
49 1 39 GLY O 1 43 LEU H 2.000 . 2.300 2.346 2.318 2.374 0.074 14 0 "[ . 1 . 2]" 2
50 1 39 GLY O 1 43 LEU N 3.000 2.700 3.300 2.837 2.768 2.903 . 0 0 "[ . 1 . 2]" 2
51 1 40 LEU O 1 44 VAL H 2.000 . 2.300 2.384 2.329 2.438 0.138 4 0 "[ . 1 . 2]" 2
52 1 40 LEU O 1 44 VAL N 3.000 2.700 3.300 3.161 3.085 3.226 . 0 0 "[ . 1 . 2]" 2
53 1 41 GLU O 1 45 LYS H 2.000 . 2.300 1.830 1.723 2.317 0.077 8 0 "[ . 1 . 2]" 2
54 1 41 GLU O 1 45 LYS N 3.000 2.700 3.300 2.709 2.645 3.069 0.055 10 0 "[ . 1 . 2]" 2
55 1 42 ALA O 1 56 TRP HE1 2.000 . 2.300 1.822 1.785 1.918 0.015 18 0 "[ . 1 . 2]" 2
56 1 42 ALA O 1 56 TRP NE1 3.000 2.700 3.300 2.738 2.679 2.791 0.021 12 0 "[ . 1 . 2]" 2
57 1 43 LEU O 1 60 GLY H 2.000 . 2.300 2.225 2.001 2.320 0.020 10 0 "[ . 1 . 2]" 2
58 1 43 LEU O 1 60 GLY N 3.000 2.700 3.300 3.107 2.898 3.205 . 0 0 "[ . 1 . 2]" 2
59 1 57 ASN OD1 1 62 LEU H 2.000 . 2.000 1.824 1.735 2.004 0.065 3 0 "[ . 1 . 2]" 2
60 1 57 ASN OD1 1 62 LEU N 3.000 . 3.000 2.773 2.689 2.909 . 0 0 "[ . 1 . 2]" 2
61 1 63 LYS O 1 65 LEU H 2.000 . 2.300 1.978 1.782 2.315 0.018 13 0 "[ . 1 . 2]" 2
62 1 63 LYS O 1 65 LEU N 3.000 2.700 3.300 2.803 2.688 3.121 0.012 20 0 "[ . 1 . 2]" 2
63 1 68 ASP H 1 72 ASN O 3.000 2.700 3.300 2.774 2.667 2.910 0.033 20 0 "[ . 1 . 2]" 2
64 1 68 ASP N 1 72 ASN O 3.000 2.700 3.300 3.440 3.338 3.516 0.216 16 0 "[ . 1 . 2]" 2
65 1 69 PRO O 1 72 ASN H 3.000 2.700 3.300 2.479 2.440 2.558 0.260 19 0 "[ . 1 . 2]" 2
66 1 69 PRO O 1 72 ASN N 3.000 2.700 3.300 3.405 3.354 3.446 0.146 16 0 "[ . 1 . 2]" 2
67 1 75 GLN H 1 88 TYR O 2.000 . 2.300 1.794 1.748 1.847 0.052 4 0 "[ . 1 . 2]" 2
68 1 75 GLN N 1 88 TYR O 3.000 2.700 3.300 2.715 2.679 2.773 0.021 4 0 "[ . 1 . 2]" 2
69 1 77 LEU H 1 86 ASP O 2.000 . 2.300 2.112 1.881 2.324 0.024 4 0 "[ . 1 . 2]" 2
70 1 77 LEU N 1 86 ASP O 3.000 2.700 3.300 2.952 2.768 3.078 . 0 0 "[ . 1 . 2]" 2
71 1 36 THR OG1 1 78 ALA H 2.400 . 2.400 2.354 2.268 2.440 0.040 1 0 "[ . 1 . 2]" 2
72 1 36 THR OG1 1 78 ALA N 3.200 . 3.200 3.265 3.225 3.315 0.115 5 0 "[ . 1 . 2]" 2
73 1 80 GLY H 1 83 GLY O 3.000 2.700 3.300 2.769 2.689 2.893 0.011 20 0 "[ . 1 . 2]" 2
74 1 80 GLY N 1 83 GLY O 3.000 2.700 3.300 3.404 3.316 3.475 0.175 2 0 "[ . 1 . 2]" 2
75 1 85 PHE H 1 109 ASP O 3.000 2.700 3.300 2.608 2.536 2.698 0.164 8 0 "[ . 1 . 2]" 2
76 1 85 PHE N 1 109 ASP O 3.000 2.700 3.300 3.474 3.409 3.542 0.242 14 0 "[ . 1 . 2]" 2
77 1 77 LEU O 1 86 ASP H 2.000 . 2.300 2.109 1.845 2.347 0.047 12 0 "[ . 1 . 2]" 2
78 1 77 LEU O 1 86 ASP N 3.000 2.700 3.300 3.051 2.827 3.283 . 0 0 "[ . 1 . 2]" 2
79 1 87 LEU H 1 107 ASN O 3.000 2.700 3.300 2.647 2.567 2.702 0.133 11 0 "[ . 1 . 2]" 2
80 1 87 LEU N 1 107 ASN O 3.000 2.700 3.300 3.407 3.358 3.457 0.157 9 0 "[ . 1 . 2]" 2
81 1 75 GLN O 1 88 TYR H 2.000 . 2.300 2.285 1.837 2.380 0.080 16 0 "[ . 1 . 2]" 2
82 1 75 GLN O 1 88 TYR N 3.000 2.700 3.300 3.246 2.804 3.356 0.056 16 0 "[ . 1 . 2]" 2
83 1 89 SER H 1 105 ILE O 2.000 . 2.300 1.867 1.777 2.065 0.023 4 0 "[ . 1 . 2]" 2
84 1 89 SER N 1 105 ILE O 3.000 2.700 3.300 2.792 2.715 2.974 . 0 0 "[ . 1 . 2]" 2
85 1 75 GLN OE1 1 90 LEU H 2.000 . 2.000 2.066 2.010 2.156 0.156 8 0 "[ . 1 . 2]" 2
86 1 75 GLN OE1 1 90 LEU N 3.000 . 3.000 2.923 2.803 3.042 0.042 11 0 "[ . 1 . 2]" 2
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