NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
549584 |
2lwx   |
17685 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lwx
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 1417
_Distance_constraint_stats_list.Viol_count 2287
_Distance_constraint_stats_list.Viol_total 2625.358
_Distance_constraint_stats_list.Viol_max 0.368
_Distance_constraint_stats_list.Viol_rms 0.0212
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0574
_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 21 GLY 2.363 0.368 8 0 "[ . 1 . 2]"
1 22 SER 4.907 0.368 8 0 "[ . 1 . 2]"
1 23 LYS 3.781 0.231 12 0 "[ . 1 . 2]"
1 24 ALA 0.081 0.035 1 0 "[ . 1 . 2]"
1 25 ALA 0.329 0.099 11 0 "[ . 1 . 2]"
1 26 LYS 2.571 0.157 16 0 "[ . 1 . 2]"
1 27 LYS 2.128 0.184 17 0 "[ . 1 . 2]"
1 28 LYS 4.310 0.184 17 0 "[ . 1 . 2]"
1 29 ASN 1.937 0.155 11 0 "[ . 1 . 2]"
1 30 LYS 0.791 0.137 9 0 "[ . 1 . 2]"
1 31 ARG 3.330 0.183 8 0 "[ . 1 . 2]"
1 32 ALA 1.942 0.169 8 0 "[ . 1 . 2]"
1 33 ILE 5.000 0.206 1 0 "[ . 1 . 2]"
1 34 ARG 1.833 0.169 8 0 "[ . 1 . 2]"
1 35 ASN 0.639 0.098 15 0 "[ . 1 . 2]"
1 36 SER 3.279 0.190 19 0 "[ . 1 . 2]"
1 37 ALA 1.830 0.104 10 0 "[ . 1 . 2]"
1 38 LYS 5.282 0.227 15 0 "[ . 1 . 2]"
1 39 GLU 0.649 0.113 17 0 "[ . 1 . 2]"
1 40 ALA 0.260 0.058 20 0 "[ . 1 . 2]"
1 41 ASP 2.779 0.194 3 0 "[ . 1 . 2]"
1 42 TYR 6.807 0.243 11 0 "[ . 1 . 2]"
1 43 PHE 5.205 0.194 3 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ASP 0.116 0.068 13 0 "[ . 1 . 2]"
1 46 ALA 2.695 0.143 4 0 "[ . 1 . 2]"
1 47 ASP 0.422 0.071 8 0 "[ . 1 . 2]"
1 48 LYS 6.597 0.216 8 0 "[ . 1 . 2]"
1 49 ALA 6.456 0.243 11 0 "[ . 1 . 2]"
1 50 THR 4.641 0.178 2 0 "[ . 1 . 2]"
1 51 THR 2.031 0.165 3 0 "[ . 1 . 2]"
1 52 ILE 4.595 0.126 8 0 "[ . 1 . 2]"
1 53 ASP 1.900 0.178 2 0 "[ . 1 . 2]"
1 54 GLU 0.432 0.052 10 0 "[ . 1 . 2]"
1 55 GLN 3.076 0.165 3 0 "[ . 1 . 2]"
1 56 VAL 0.465 0.044 20 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.668 0.102 15 0 "[ . 1 . 2]"
1 59 ILE 1.429 0.128 13 0 "[ . 1 . 2]"
1 60 VAL 5.647 0.206 1 0 "[ . 1 . 2]"
1 61 ASP 1.001 0.068 11 0 "[ . 1 . 2]"
1 62 SER 0.487 0.072 20 0 "[ . 1 . 2]"
1 63 LEU 2.112 0.096 8 0 "[ . 1 . 2]"
1 64 ASN 3.756 0.243 7 0 "[ . 1 . 2]"
1 65 ASP 0.412 0.069 18 0 "[ . 1 . 2]"
1 66 GLU 7.107 0.243 7 0 "[ . 1 . 2]"
1 67 GLU 0.684 0.127 1 0 "[ . 1 . 2]"
1 68 LEU 5.940 0.232 3 0 "[ . 1 . 2]"
1 69 VAL 4.057 0.168 6 0 "[ . 1 . 2]"
1 70 SER 2.411 0.168 6 0 "[ . 1 . 2]"
1 71 THR 6.740 0.191 18 0 "[ . 1 . 2]"
1 72 ALA 5.563 0.175 13 0 "[ . 1 . 2]"
1 73 ASP 1.094 0.154 15 0 "[ . 1 . 2]"
1 74 LYS 1.708 0.139 17 0 "[ . 1 . 2]"
1 75 ILE 3.341 0.139 17 0 "[ . 1 . 2]"
1 76 LYS 4.621 0.309 6 0 "[ . 1 . 2]"
1 77 ALA 0.324 0.066 10 0 "[ . 1 . 2]"
1 78 ASN 4.606 0.309 6 0 "[ . 1 . 2]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ALA 0.587 0.073 1 0 "[ . 1 . 2]"
1 81 GLY 4.595 0.170 9 0 "[ . 1 . 2]"
1 82 ALA 2.871 0.190 19 0 "[ . 1 . 2]"
1 83 LYS 5.979 0.200 13 0 "[ . 1 . 2]"
1 84 GLU 3.748 0.170 9 0 "[ . 1 . 2]"
1 85 VAL 0.779 0.124 3 0 "[ . 1 . 2]"
1 86 LEU 5.514 0.187 19 0 "[ . 1 . 2]"
1 87 LYS 4.987 0.239 13 0 "[ . 1 . 2]"
1 88 GLU 4.952 0.191 18 0 "[ . 1 . 2]"
1 89 SER 0.975 0.128 13 0 "[ . 1 . 2]"
1 90 ALA 3.245 0.134 12 0 "[ . 1 . 2]"
1 91 LYS 2.459 0.159 20 0 "[ . 1 . 2]"
1 92 THR 1.938 0.156 9 0 "[ . 1 . 2]"
1 93 ILE 2.875 0.179 20 0 "[ . 1 . 2]"
1 94 VAL 2.647 0.159 20 0 "[ . 1 . 2]"
1 95 ASP 1.816 0.091 10 0 "[ . 1 . 2]"
1 96 SER 0.761 0.139 2 0 "[ . 1 . 2]"
1 97 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 LYS 4.279 0.146 7 0 "[ . 1 . 2]"
1 99 LEU 2.724 0.179 20 0 "[ . 1 . 2]"
1 100 PRO 1.638 0.074 8 0 "[ . 1 . 2]"
1 101 SER 0.188 0.059 13 0 "[ . 1 . 2]"
1 102 SER 0.724 0.057 9 0 "[ . 1 . 2]"
1 103 LEU 4.105 0.128 5 0 "[ . 1 . 2]"
1 104 LEU 3.798 0.154 4 0 "[ . 1 . 2]"
1 105 SER 1.271 0.124 6 0 "[ . 1 . 2]"
1 106 TYR 1.500 0.145 8 0 "[ . 1 . 2]"
1 107 PHE 1.474 0.074 15 0 "[ . 1 . 2]"
1 108 VAL 4.515 0.158 13 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 21 GLY H 1 22 SER H . . 4.220 3.965 2.371 4.588 0.368 8 0 "[ . 1 . 2]" 1
2 1 21 GLY QA 1 22 SER H . . 3.540 2.267 2.103 2.874 . 0 0 "[ . 1 . 2]" 1
3 1 22 SER H 1 22 SER QB . . 3.240 2.570 2.359 2.983 . 0 0 "[ . 1 . 2]" 1
4 1 22 SER H 1 23 LYS H . . 4.810 3.399 2.502 4.587 . 0 0 "[ . 1 . 2]" 1
5 1 22 SER H 1 23 LYS QE . . 4.990 4.493 3.218 5.146 0.156 14 0 "[ . 1 . 2]" 1
6 1 22 SER HA 1 23 LYS QE . . 4.660 4.088 2.278 4.862 0.202 20 0 "[ . 1 . 2]" 1
7 1 22 SER HA 1 25 ALA MB . . 4.340 3.449 2.090 4.389 0.049 8 0 "[ . 1 . 2]" 1
8 1 22 SER QB 1 23 LYS H . . 4.280 2.770 2.074 3.755 . 0 0 "[ . 1 . 2]" 1
9 1 22 SER QB 1 23 LYS QG . . 4.640 4.232 2.610 4.871 0.231 12 0 "[ . 1 . 2]" 1
10 1 22 SER HB2 1 23 LYS H . . 5.110 3.357 2.312 4.410 . 0 0 "[ . 1 . 2]" 1
11 1 22 SER HB3 1 23 LYS H . . 5.110 3.341 2.099 4.282 . 0 0 "[ . 1 . 2]" 1
12 1 23 LYS H 1 23 LYS QB . . 3.890 2.479 2.256 2.869 . 0 0 "[ . 1 . 2]" 1
13 1 23 LYS H 1 23 LYS QD . . 5.120 2.725 1.603 3.851 . 0 0 "[ . 1 . 2]" 1
14 1 23 LYS H 1 23 LYS HG2 . . 4.650 3.093 1.802 4.230 . 0 0 "[ . 1 . 2]" 1
15 1 23 LYS H 1 23 LYS QG . . 4.050 2.770 1.791 3.693 . 0 0 "[ . 1 . 2]" 1
16 1 23 LYS H 1 23 LYS HG3 . . 4.650 3.626 3.122 4.176 . 0 0 "[ . 1 . 2]" 1
17 1 23 LYS H 1 24 ALA H . . 4.090 2.606 2.425 2.945 . 0 0 "[ . 1 . 2]" 1
18 1 23 LYS H 1 25 ALA H . . 5.230 3.965 3.610 4.482 . 0 0 "[ . 1 . 2]" 1
19 1 23 LYS HA 1 23 LYS QD . . 4.020 3.143 1.879 4.243 0.223 2 0 "[ . 1 . 2]" 1
20 1 23 LYS HA 1 23 LYS QE . . 4.510 3.521 2.082 4.034 . 0 0 "[ . 1 . 2]" 1
21 1 23 LYS HA 1 26 LYS QD . . 4.320 2.840 1.963 4.385 0.065 15 0 "[ . 1 . 2]" 1
22 1 23 LYS HA 1 26 LYS QE . . 4.260 3.318 2.152 4.294 0.034 17 0 "[ . 1 . 2]" 1
23 1 23 LYS QB 1 23 LYS QD . . 3.010 2.384 2.100 2.896 . 0 0 "[ . 1 . 2]" 1
24 1 23 LYS QB 1 23 LYS QE . . 3.770 3.096 1.843 3.829 0.059 10 0 "[ . 1 . 2]" 1
25 1 23 LYS QB 1 24 ALA H . . 3.690 2.921 2.394 3.699 0.009 8 0 "[ . 1 . 2]" 1
26 1 23 LYS QD 1 23 LYS HG2 . . 2.760 2.327 2.129 2.443 . 0 0 "[ . 1 . 2]" 1
27 1 23 LYS QD 1 23 LYS HG3 . . 2.760 2.304 2.126 2.478 . 0 0 "[ . 1 . 2]" 1
28 1 23 LYS QD 1 24 ALA H . . 4.700 4.316 3.725 4.724 0.024 18 0 "[ . 1 . 2]" 1
29 1 23 LYS QE 1 23 LYS HG2 . . 3.470 2.636 2.267 3.507 0.037 6 0 "[ . 1 . 2]" 1
30 1 23 LYS QE 1 23 LYS HG3 . . 3.470 2.852 2.263 3.349 . 0 0 "[ . 1 . 2]" 1
31 1 24 ALA H 1 24 ALA MB . . 3.080 2.249 2.220 2.291 . 0 0 "[ . 1 . 2]" 1
32 1 24 ALA H 1 25 ALA H . . 3.590 2.479 2.324 2.654 . 0 0 "[ . 1 . 2]" 1
33 1 24 ALA H 1 26 LYS H . . 5.130 4.054 3.673 4.436 . 0 0 "[ . 1 . 2]" 1
34 1 24 ALA HA 1 27 LYS H . . 4.020 3.668 3.242 4.055 0.035 1 0 "[ . 1 . 2]" 1
35 1 24 ALA MB 1 25 ALA H . . 3.390 2.613 2.405 2.825 . 0 0 "[ . 1 . 2]" 1
36 1 25 ALA H 1 25 ALA MB . . 2.940 2.241 2.203 2.289 . 0 0 "[ . 1 . 2]" 1
37 1 25 ALA H 1 26 LYS H . . 3.500 2.638 2.457 2.846 . 0 0 "[ . 1 . 2]" 1
38 1 25 ALA HA 1 28 LYS H . . 3.910 3.412 3.086 3.624 . 0 0 "[ . 1 . 2]" 1
39 1 25 ALA HA 1 28 LYS QB . . 3.800 2.443 2.075 2.944 . 0 0 "[ . 1 . 2]" 1
40 1 25 ALA HA 1 28 LYS QE . . 5.100 3.843 2.678 5.185 0.085 6 0 "[ . 1 . 2]" 1
41 1 25 ALA MB 1 26 LYS H . . 3.440 2.616 2.391 2.789 . 0 0 "[ . 1 . 2]" 1
42 1 25 ALA MB 1 29 ASN HD21 . . 4.190 3.400 2.694 4.289 0.099 11 0 "[ . 1 . 2]" 1
43 1 25 ALA MB 1 29 ASN HD22 . . 4.100 2.767 2.154 3.252 . 0 0 "[ . 1 . 2]" 1
44 1 25 ALA MB 1 69 VAL QG . . 4.170 3.766 3.314 4.206 0.036 13 0 "[ . 1 . 2]" 1
45 1 26 LYS H 1 26 LYS QB . . 3.170 2.385 2.098 2.599 . 0 0 "[ . 1 . 2]" 1
46 1 26 LYS H 1 26 LYS QD . . 4.190 3.877 1.803 4.347 0.157 16 0 "[ . 1 . 2]" 1
47 1 26 LYS H 1 26 LYS QG . . 4.660 2.869 1.985 3.979 . 0 0 "[ . 1 . 2]" 1
48 1 26 LYS H 1 29 ASN H . . 4.950 4.693 4.548 4.780 . 0 0 "[ . 1 . 2]" 1
49 1 26 LYS HA 1 26 LYS QD . . 4.810 4.074 3.132 4.475 . 0 0 "[ . 1 . 2]" 1
50 1 26 LYS HA 1 26 LYS QE . . 4.810 4.256 3.812 4.900 0.090 4 0 "[ . 1 . 2]" 1
51 1 26 LYS HA 1 28 LYS H . . 4.550 4.537 4.378 4.632 0.082 5 0 "[ . 1 . 2]" 1
52 1 26 LYS HA 1 29 ASN H . . 4.170 3.753 3.464 4.117 . 0 0 "[ . 1 . 2]" 1
53 1 26 LYS HA 1 29 ASN HB2 . . 4.200 3.145 2.659 3.709 . 0 0 "[ . 1 . 2]" 1
54 1 26 LYS HA 1 29 ASN HB3 . . 5.410 4.810 4.129 5.415 0.005 5 0 "[ . 1 . 2]" 1
55 1 26 LYS HA 1 29 ASN HD21 . . 4.690 3.516 2.891 4.707 0.017 11 0 "[ . 1 . 2]" 1
56 1 26 LYS HA 1 29 ASN HD22 . . 4.940 4.656 3.866 4.967 0.027 10 0 "[ . 1 . 2]" 1
57 1 26 LYS HA 1 68 LEU MD1 . . 4.780 2.702 1.983 3.680 . 0 0 "[ . 1 . 2]" 1
58 1 26 LYS QB 1 26 LYS QD . . 3.140 2.240 2.079 2.554 . 0 0 "[ . 1 . 2]" 1
59 1 26 LYS QB 1 26 LYS QE . . 3.520 2.237 1.926 3.562 0.042 3 0 "[ . 1 . 2]" 1
60 1 26 LYS QB 1 27 LYS H . . 3.040 2.347 2.014 3.190 0.150 11 0 "[ . 1 . 2]" 1
61 1 26 LYS QB 1 68 LEU MD1 . . 4.600 3.475 2.484 4.129 . 0 0 "[ . 1 . 2]" 1
62 1 26 LYS QD 1 27 LYS H . . 4.480 4.108 2.995 4.551 0.071 20 0 "[ . 1 . 2]" 1
63 1 26 LYS QE 1 27 LYS H . . 5.230 4.738 3.029 5.364 0.134 10 0 "[ . 1 . 2]" 1
64 1 26 LYS QG 1 27 LYS H . . 4.910 3.629 1.908 4.221 . 0 0 "[ . 1 . 2]" 1
65 1 27 LYS H 1 27 LYS QE . . 4.800 4.059 3.118 4.578 . 0 0 "[ . 1 . 2]" 1
66 1 27 LYS H 1 27 LYS QG . . 3.940 3.483 1.892 3.983 0.043 18 0 "[ . 1 . 2]" 1
67 1 27 LYS H 1 29 ASN H . . 4.760 4.225 3.929 4.360 . 0 0 "[ . 1 . 2]" 1
68 1 27 LYS HA 1 27 LYS QD . . 4.280 3.904 2.110 4.258 . 0 0 "[ . 1 . 2]" 1
69 1 27 LYS HA 1 27 LYS QE . . 4.800 4.216 2.364 4.667 . 0 0 "[ . 1 . 2]" 1
70 1 27 LYS HA 1 30 LYS H . . 4.080 3.791 3.375 4.108 0.028 2 0 "[ . 1 . 2]" 1
71 1 27 LYS QB 1 28 LYS H . . 3.050 2.467 2.357 2.599 . 0 0 "[ . 1 . 2]" 1
72 1 27 LYS QD 1 28 LYS H . . 4.980 4.822 4.278 5.103 0.123 20 0 "[ . 1 . 2]" 1
73 1 27 LYS QE 1 27 LYS QG . . 3.240 2.518 1.991 2.823 . 0 0 "[ . 1 . 2]" 1
74 1 27 LYS QE 1 28 LYS H . . 4.900 4.388 3.621 5.084 0.184 17 0 "[ . 1 . 2]" 1
75 1 27 LYS QG 1 28 LYS H . . 3.960 3.627 3.416 3.997 0.037 12 0 "[ . 1 . 2]" 1
76 1 28 LYS H 1 28 LYS QB . . 3.610 2.209 2.161 2.296 . 0 0 "[ . 1 . 2]" 1
77 1 28 LYS H 1 28 LYS QD . . 4.450 4.472 4.116 4.542 0.092 13 0 "[ . 1 . 2]" 1
78 1 28 LYS H 1 29 ASN H . . 3.540 2.696 2.520 2.855 . 0 0 "[ . 1 . 2]" 1
79 1 28 LYS HA 1 28 LYS QD . . 4.080 3.861 2.052 4.178 0.098 7 0 "[ . 1 . 2]" 1
80 1 28 LYS HA 1 28 LYS QE . . 4.340 3.902 2.885 4.458 0.118 6 0 "[ . 1 . 2]" 1
81 1 28 LYS HA 1 28 LYS QG . . 3.810 2.499 2.400 2.998 . 0 0 "[ . 1 . 2]" 1
82 1 28 LYS QB 1 29 ASN H . . 3.380 2.430 2.233 2.735 . 0 0 "[ . 1 . 2]" 1
83 1 28 LYS QD 1 29 ASN H . . 4.590 4.176 2.701 4.635 0.045 2 0 "[ . 1 . 2]" 1
84 1 28 LYS QE 1 29 ASN H . . 5.380 4.978 3.148 5.316 . 0 0 "[ . 1 . 2]" 1
85 1 28 LYS QG 1 29 ASN H . . 4.050 3.545 3.362 4.205 0.155 11 0 "[ . 1 . 2]" 1
86 1 28 LYS QG 1 31 ARG H . . 5.170 4.993 4.400 5.216 0.046 1 0 "[ . 1 . 2]" 1
87 1 28 LYS QG 1 32 ALA H . . 4.440 4.201 3.396 4.476 0.036 11 0 "[ . 1 . 2]" 1
88 1 29 ASN H 1 29 ASN HB2 . . 3.930 2.524 2.404 2.714 . 0 0 "[ . 1 . 2]" 1
89 1 29 ASN H 1 29 ASN HB3 . . 3.690 3.624 3.573 3.679 . 0 0 "[ . 1 . 2]" 1
90 1 29 ASN H 1 29 ASN HD21 . . 4.420 3.693 2.441 3.971 . 0 0 "[ . 1 . 2]" 1
91 1 29 ASN H 1 29 ASN HD22 . . 4.740 4.209 3.843 4.365 . 0 0 "[ . 1 . 2]" 1
92 1 29 ASN H 1 32 ALA MB . . 4.440 4.347 4.156 4.460 0.020 12 0 "[ . 1 . 2]" 1
93 1 29 ASN H 1 68 LEU MD1 . . 5.060 4.293 3.890 5.041 . 0 0 "[ . 1 . 2]" 1
94 1 29 ASN HA 1 29 ASN HD22 . . 5.300 4.508 3.527 4.690 . 0 0 "[ . 1 . 2]" 1
95 1 29 ASN HA 1 31 ARG H . . 5.130 4.325 4.103 4.548 . 0 0 "[ . 1 . 2]" 1
96 1 29 ASN HA 1 32 ALA H . . 4.060 3.144 2.994 3.400 . 0 0 "[ . 1 . 2]" 1
97 1 29 ASN HA 1 32 ALA MB . . 4.200 2.189 2.060 2.534 . 0 0 "[ . 1 . 2]" 1
98 1 29 ASN HA 1 33 ILE MD . . 5.500 4.427 4.174 4.632 . 0 0 "[ . 1 . 2]" 1
99 1 29 ASN HB2 1 30 LYS H . . 4.380 2.762 2.184 2.995 . 0 0 "[ . 1 . 2]" 1
100 1 29 ASN HB2 1 33 ILE MD . . 5.340 4.707 4.015 5.317 . 0 0 "[ . 1 . 2]" 1
101 1 29 ASN HB2 1 68 LEU HB3 . . 4.940 2.859 2.362 3.165 . 0 0 "[ . 1 . 2]" 1
102 1 29 ASN HB2 1 68 LEU MD2 . . 5.360 4.498 4.160 4.869 . 0 0 "[ . 1 . 2]" 1
103 1 29 ASN HB3 1 32 ALA H . . 4.950 5.002 4.937 5.066 0.116 11 0 "[ . 1 . 2]" 1
104 1 29 ASN HB3 1 33 ILE MD . . 5.500 3.437 2.889 3.877 . 0 0 "[ . 1 . 2]" 1
105 1 29 ASN HB3 1 68 LEU HB3 . . 4.610 2.269 1.900 2.926 . 0 0 "[ . 1 . 2]" 1
106 1 29 ASN HD21 1 69 VAL H . . 5.050 3.871 3.017 5.138 0.088 11 0 "[ . 1 . 2]" 1
107 1 29 ASN HD21 1 69 VAL HA . . 4.730 4.009 3.106 4.727 . 0 0 "[ . 1 . 2]" 1
108 1 29 ASN HD21 1 69 VAL MG1 . . 4.810 4.401 3.822 4.857 0.047 3 0 "[ . 1 . 2]" 1
109 1 29 ASN HD21 1 69 VAL QG . . 3.910 3.044 2.155 3.664 . 0 0 "[ . 1 . 2]" 1
110 1 29 ASN HD21 1 69 VAL MG2 . . 4.810 3.201 2.161 4.097 . 0 0 "[ . 1 . 2]" 1
111 1 29 ASN HD22 1 69 VAL H . . 4.930 4.382 3.416 4.951 0.021 17 0 "[ . 1 . 2]" 1
112 1 29 ASN HD22 1 69 VAL HA . . 4.620 3.731 2.821 4.399 . 0 0 "[ . 1 . 2]" 1
113 1 29 ASN HD22 1 69 VAL MG1 . . 4.670 3.836 2.981 4.209 . 0 0 "[ . 1 . 2]" 1
114 1 29 ASN HD22 1 69 VAL QG . . 3.820 2.351 1.851 2.870 . 0 0 "[ . 1 . 2]" 1
115 1 29 ASN HD22 1 69 VAL MG2 . . 4.670 2.390 1.855 3.015 . 0 0 "[ . 1 . 2]" 1
116 1 30 LYS H 1 30 LYS HB2 . . 3.830 2.488 2.220 2.572 . 0 0 "[ . 1 . 2]" 1
117 1 30 LYS H 1 30 LYS QB . . 3.180 2.416 2.114 2.522 . 0 0 "[ . 1 . 2]" 1
118 1 30 LYS H 1 30 LYS HB3 . . 3.830 3.427 2.468 3.688 . 0 0 "[ . 1 . 2]" 1
119 1 30 LYS H 1 30 LYS QG . . 4.010 2.677 2.100 4.006 . 0 0 "[ . 1 . 2]" 1
120 1 30 LYS H 1 31 ARG H . . 3.760 2.782 2.647 2.896 . 0 0 "[ . 1 . 2]" 1
121 1 30 LYS H 1 32 ALA H . . 4.630 3.988 3.824 4.149 . 0 0 "[ . 1 . 2]" 1
122 1 30 LYS H 1 68 LEU MD1 . . 4.010 3.062 2.687 3.655 . 0 0 "[ . 1 . 2]" 1
123 1 30 LYS H 1 68 LEU MD2 . . 5.210 4.850 4.645 5.101 . 0 0 "[ . 1 . 2]" 1
124 1 30 LYS HA 1 30 LYS HD2 . . 5.320 4.454 2.109 4.864 . 0 0 "[ . 1 . 2]" 1
125 1 30 LYS HA 1 30 LYS QD . . 4.450 3.874 2.077 4.261 . 0 0 "[ . 1 . 2]" 1
126 1 30 LYS HA 1 30 LYS HD3 . . 5.320 4.350 3.117 4.709 . 0 0 "[ . 1 . 2]" 1
127 1 30 LYS HA 1 30 LYS HE2 . . 5.500 4.760 4.253 5.491 . 0 0 "[ . 1 . 2]" 1
128 1 30 LYS HA 1 30 LYS HE3 . . 5.500 5.020 4.503 5.625 0.125 15 0 "[ . 1 . 2]" 1
129 1 30 LYS HA 1 32 ALA H . . 4.800 4.407 4.200 4.590 . 0 0 "[ . 1 . 2]" 1
130 1 30 LYS HA 1 33 ILE H . . 4.560 3.759 3.568 4.261 . 0 0 "[ . 1 . 2]" 1
131 1 30 LYS HA 1 33 ILE HB . . 5.500 3.342 2.951 4.184 . 0 0 "[ . 1 . 2]" 1
132 1 30 LYS HA 1 33 ILE HG12 . . 5.430 4.050 2.960 5.437 0.007 15 0 "[ . 1 . 2]" 1
133 1 30 LYS HA 1 33 ILE HG13 . . 5.430 3.692 3.375 4.140 . 0 0 "[ . 1 . 2]" 1
134 1 30 LYS HA 1 60 VAL MG2 . . 4.630 2.930 2.569 3.535 . 0 0 "[ . 1 . 2]" 1
135 1 30 LYS HA 1 68 LEU HB3 . . 5.300 3.913 3.021 4.406 . 0 0 "[ . 1 . 2]" 1
136 1 30 LYS HA 1 68 LEU MD1 . . 3.790 2.993 2.210 3.829 0.039 14 0 "[ . 1 . 2]" 1
137 1 30 LYS QB 1 30 LYS QD . . 2.730 2.201 1.986 2.350 . 0 0 "[ . 1 . 2]" 1
138 1 30 LYS QB 1 30 LYS QE . . 3.930 3.086 1.947 3.795 . 0 0 "[ . 1 . 2]" 1
139 1 30 LYS HB2 1 30 LYS HE2 . . 5.500 4.054 2.273 4.666 . 0 0 "[ . 1 . 2]" 1
140 1 30 LYS HB2 1 30 LYS HE3 . . 5.500 4.247 3.501 4.665 . 0 0 "[ . 1 . 2]" 1
141 1 30 LYS HB3 1 30 LYS HE2 . . 5.500 3.679 2.034 4.759 . 0 0 "[ . 1 . 2]" 1
142 1 30 LYS HB3 1 30 LYS HE3 . . 5.500 4.203 2.767 5.478 . 0 0 "[ . 1 . 2]" 1
143 1 30 LYS QD 1 60 VAL MG2 . . 4.260 2.988 2.240 4.127 . 0 0 "[ . 1 . 2]" 1
144 1 30 LYS QD 1 68 LEU MD1 . . 3.540 3.182 2.238 3.570 0.030 12 0 "[ . 1 . 2]" 1
145 1 30 LYS HD2 1 68 LEU MD1 . . 4.120 3.498 2.259 4.136 0.016 9 0 "[ . 1 . 2]" 1
146 1 30 LYS HD3 1 68 LEU MD1 . . 4.120 3.880 2.539 4.172 0.052 7 0 "[ . 1 . 2]" 1
147 1 30 LYS QE 1 68 LEU MD2 . . 4.640 3.784 2.798 4.777 0.137 9 0 "[ . 1 . 2]" 1
148 1 30 LYS QG 1 60 VAL HB . . 4.530 2.281 1.931 3.341 . 0 0 "[ . 1 . 2]" 1
149 1 30 LYS QG 1 60 VAL MG1 . . 3.690 3.567 3.183 3.752 0.062 1 0 "[ . 1 . 2]" 1
150 1 30 LYS QG 1 60 VAL MG2 . . 4.140 2.492 1.927 3.016 . 0 0 "[ . 1 . 2]" 1
151 1 30 LYS QG 1 68 LEU MD1 . . 4.090 2.281 1.885 3.889 . 0 0 "[ . 1 . 2]" 1
152 1 30 LYS HG2 1 68 LEU MD1 . . 4.700 2.779 2.063 4.370 . 0 0 "[ . 1 . 2]" 1
153 1 30 LYS HG3 1 68 LEU MD1 . . 4.700 2.463 2.034 4.359 . 0 0 "[ . 1 . 2]" 1
154 1 31 ARG H 1 31 ARG QB . . 3.150 2.349 2.097 2.618 . 0 0 "[ . 1 . 2]" 1
155 1 31 ARG H 1 31 ARG QD . . 4.640 4.209 3.661 4.574 . 0 0 "[ . 1 . 2]" 1
156 1 31 ARG H 1 31 ARG QG . . 3.640 3.119 2.030 3.823 0.183 8 0 "[ . 1 . 2]" 1
157 1 31 ARG H 1 32 ALA H . . 3.580 2.485 2.421 2.627 . 0 0 "[ . 1 . 2]" 1
158 1 31 ARG H 1 60 VAL MG2 . . 4.920 4.903 4.598 5.001 0.081 9 0 "[ . 1 . 2]" 1
159 1 31 ARG HA 1 31 ARG QD . . 4.790 4.194 3.957 4.560 . 0 0 "[ . 1 . 2]" 1
160 1 31 ARG HA 1 34 ARG QD . . 4.640 2.802 2.248 3.308 . 0 0 "[ . 1 . 2]" 1
161 1 31 ARG HA 1 34 ARG HE . . 5.270 4.274 2.671 5.277 0.007 11 0 "[ . 1 . 2]" 1
162 1 31 ARG QB 1 32 ALA H . . 3.520 2.997 2.309 3.587 0.067 15 0 "[ . 1 . 2]" 1
163 1 31 ARG QB 1 35 ASN HD21 . . 4.910 4.109 3.236 4.922 0.012 18 0 "[ . 1 . 2]" 1
164 1 31 ARG QB 1 35 ASN HD22 . . 4.910 3.748 2.625 4.531 . 0 0 "[ . 1 . 2]" 1
165 1 31 ARG QD 1 32 ALA H . . 5.010 4.453 4.270 4.903 . 0 0 "[ . 1 . 2]" 1
166 1 31 ARG QD 1 35 ASN HD21 . . 5.050 4.436 3.819 5.134 0.084 13 0 "[ . 1 . 2]" 1
167 1 31 ARG QD 1 35 ASN HD22 . . 5.050 3.524 3.045 4.239 . 0 0 "[ . 1 . 2]" 1
168 1 31 ARG QG 1 32 ALA H . . 3.800 3.031 2.330 3.797 . 0 0 "[ . 1 . 2]" 1
169 1 31 ARG QG 1 35 ASN H . . 4.750 4.419 3.643 4.848 0.098 15 0 "[ . 1 . 2]" 1
170 1 31 ARG QG 1 35 ASN QD . . 3.900 2.455 1.869 3.434 . 0 0 "[ . 1 . 2]" 1
171 1 32 ALA H 1 32 ALA MB . . 3.150 2.243 2.207 2.287 . 0 0 "[ . 1 . 2]" 1
172 1 32 ALA H 1 33 ILE H . . 3.660 2.659 2.519 2.780 . 0 0 "[ . 1 . 2]" 1
173 1 32 ALA H 1 34 ARG H . . 4.740 4.116 3.863 4.294 . 0 0 "[ . 1 . 2]" 1
174 1 32 ALA H 1 34 ARG QB . . 5.280 5.205 5.035 5.449 0.169 8 0 "[ . 1 . 2]" 1
175 1 32 ALA HA 1 35 ASN H . . 3.750 3.372 3.180 3.741 . 0 0 "[ . 1 . 2]" 1
176 1 32 ALA HA 1 35 ASN HB2 . . 5.160 2.615 2.352 2.969 . 0 0 "[ . 1 . 2]" 1
177 1 32 ALA HA 1 35 ASN QB . . 4.430 2.590 2.335 2.926 . 0 0 "[ . 1 . 2]" 1
178 1 32 ALA HA 1 35 ASN HB3 . . 5.160 4.208 3.950 4.577 . 0 0 "[ . 1 . 2]" 1
179 1 32 ALA HA 1 35 ASN QD . . 4.890 2.518 1.948 3.973 . 0 0 "[ . 1 . 2]" 1
180 1 32 ALA MB 1 33 ILE H . . 3.650 2.545 2.346 2.696 . 0 0 "[ . 1 . 2]" 1
181 1 32 ALA MB 1 35 ASN H . . 4.840 4.529 4.402 4.761 . 0 0 "[ . 1 . 2]" 1
182 1 32 ALA MB 1 72 ALA HA . . 4.950 4.593 4.121 4.969 0.019 15 0 "[ . 1 . 2]" 1
183 1 33 ILE H 1 33 ILE HB . . 3.670 2.508 2.418 2.590 . 0 0 "[ . 1 . 2]" 1
184 1 33 ILE H 1 33 ILE MD . . 3.860 3.299 3.069 3.603 . 0 0 "[ . 1 . 2]" 1
185 1 33 ILE H 1 33 ILE QG . . 3.740 2.113 2.050 2.200 . 0 0 "[ . 1 . 2]" 1
186 1 33 ILE H 1 33 ILE MG . . 3.860 3.758 3.715 3.783 . 0 0 "[ . 1 . 2]" 1
187 1 33 ILE H 1 34 ARG H . . 3.830 2.660 2.573 2.738 . 0 0 "[ . 1 . 2]" 1
188 1 33 ILE H 1 35 ASN H . . 4.770 4.024 3.902 4.135 . 0 0 "[ . 1 . 2]" 1
189 1 33 ILE H 1 60 VAL MG1 . . 4.690 3.843 3.606 4.032 . 0 0 "[ . 1 . 2]" 1
190 1 33 ILE HA 1 33 ILE MD . . 4.260 2.765 2.029 3.839 . 0 0 "[ . 1 . 2]" 1
191 1 33 ILE HA 1 36 SER H . . 4.320 3.775 3.593 3.934 . 0 0 "[ . 1 . 2]" 1
192 1 33 ILE HA 1 36 SER QB . . 5.040 3.708 3.348 4.181 . 0 0 "[ . 1 . 2]" 1
193 1 33 ILE HA 1 71 THR HG1 . . 4.870 4.869 4.722 4.939 0.069 17 0 "[ . 1 . 2]" 1
194 1 33 ILE HA 1 75 ILE MD . . 4.140 2.564 2.244 2.877 . 0 0 "[ . 1 . 2]" 1
195 1 33 ILE HB 1 34 ARG H . . 3.810 2.665 2.483 2.864 . 0 0 "[ . 1 . 2]" 1
196 1 33 ILE HB 1 60 VAL HB . . 5.120 3.913 3.585 4.150 . 0 0 "[ . 1 . 2]" 1
197 1 33 ILE HB 1 60 VAL MG1 . . 3.940 1.937 1.812 2.055 . 0 0 "[ . 1 . 2]" 1
198 1 33 ILE MD 1 33 ILE MG . . 3.420 1.915 1.833 1.976 . 0 0 "[ . 1 . 2]" 1
199 1 33 ILE MD 1 34 ARG H . . 5.210 4.644 4.524 4.805 . 0 0 "[ . 1 . 2]" 1
200 1 33 ILE MD 1 60 VAL HB . . 5.210 4.238 2.756 5.234 0.024 1 0 "[ . 1 . 2]" 1
201 1 33 ILE MD 1 60 VAL MG1 . . 3.550 2.965 2.011 3.606 0.056 7 0 "[ . 1 . 2]" 1
202 1 33 ILE MD 1 68 LEU HB3 . . 4.010 3.004 2.134 3.995 . 0 0 "[ . 1 . 2]" 1
203 1 33 ILE MD 1 71 THR H . . 3.970 3.927 3.735 3.998 0.028 19 0 "[ . 1 . 2]" 1
204 1 33 ILE MD 1 71 THR HB . . 4.470 3.159 2.705 3.774 . 0 0 "[ . 1 . 2]" 1
205 1 33 ILE MD 1 72 ALA H . . 3.750 2.743 2.301 3.300 . 0 0 "[ . 1 . 2]" 1
206 1 33 ILE MD 1 72 ALA HA . . 4.220 3.175 2.285 4.238 0.018 5 0 "[ . 1 . 2]" 1
207 1 33 ILE QG 1 33 ILE MG . . 3.200 2.290 2.241 2.354 . 0 0 "[ . 1 . 2]" 1
208 1 33 ILE QG 1 68 LEU HB3 . . 4.700 3.301 2.578 4.122 . 0 0 "[ . 1 . 2]" 1
209 1 33 ILE QG 1 71 THR MG . . 4.880 4.733 4.511 4.898 0.018 9 0 "[ . 1 . 2]" 1
210 1 33 ILE QG 1 72 ALA H . . 4.740 3.924 3.139 4.584 . 0 0 "[ . 1 . 2]" 1
211 1 33 ILE QG 1 72 ALA MB . . 3.950 2.862 1.983 3.610 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE HG12 1 68 LEU HB3 . . 5.350 3.966 2.983 5.165 . 0 0 "[ . 1 . 2]" 1
213 1 33 ILE HG13 1 68 LEU HB3 . . 5.350 3.557 2.820 4.333 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE MG 1 34 ARG H . . 4.330 3.477 3.210 3.613 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE MG 1 36 SER H . . 4.800 4.543 4.416 4.691 . 0 0 "[ . 1 . 2]" 1
216 1 33 ILE MG 1 36 SER QB . . 5.340 4.142 3.942 4.410 . 0 0 "[ . 1 . 2]" 1
217 1 33 ILE MG 1 60 VAL HA . . 4.360 4.059 3.724 4.325 . 0 0 "[ . 1 . 2]" 1
218 1 33 ILE MG 1 60 VAL HB . . 5.180 4.123 4.027 4.253 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE MG 1 60 VAL MG1 . . 3.570 1.924 1.867 1.993 . 0 0 "[ . 1 . 2]" 1
220 1 33 ILE MG 1 60 VAL MG2 . . 3.890 4.050 4.002 4.096 0.206 1 0 "[ . 1 . 2]" 1
221 1 33 ILE MG 1 71 THR HG1 . . 5.080 3.077 2.805 3.547 . 0 0 "[ . 1 . 2]" 1
222 1 33 ILE MG 1 72 ALA H . . 4.820 4.864 4.732 4.922 0.102 3 0 "[ . 1 . 2]" 1
223 1 34 ARG H 1 34 ARG QB . . 3.270 2.490 2.356 2.564 . 0 0 "[ . 1 . 2]" 1
224 1 34 ARG H 1 34 ARG QD . . 4.590 3.925 3.640 4.493 . 0 0 "[ . 1 . 2]" 1
225 1 34 ARG H 1 34 ARG QG . . 4.030 2.314 2.073 2.568 . 0 0 "[ . 1 . 2]" 1
226 1 34 ARG H 1 35 ASN H . . 3.690 2.531 2.436 2.672 . 0 0 "[ . 1 . 2]" 1
227 1 34 ARG H 1 36 SER H . . 5.170 4.187 3.999 4.330 . 0 0 "[ . 1 . 2]" 1
228 1 34 ARG H 1 56 VAL QG . . 5.040 3.394 3.145 3.537 . 0 0 "[ . 1 . 2]" 1
229 1 34 ARG H 1 60 VAL MG1 . . 3.970 3.522 3.164 3.949 . 0 0 "[ . 1 . 2]" 1
230 1 34 ARG HA 1 34 ARG QD . . 4.280 4.038 3.898 4.313 0.033 8 0 "[ . 1 . 2]" 1
231 1 34 ARG HA 1 35 ASN H . . 3.560 3.465 3.427 3.521 . 0 0 "[ . 1 . 2]" 1
232 1 34 ARG HA 1 56 VAL MG1 . . 4.870 1.886 1.834 1.951 . 0 0 "[ . 1 . 2]" 1
233 1 34 ARG HA 1 56 VAL QG . . 3.720 1.873 1.827 1.938 . 0 0 "[ . 1 . 2]" 1
234 1 34 ARG HA 1 56 VAL MG2 . . 4.870 3.241 2.960 3.436 . 0 0 "[ . 1 . 2]" 1
235 1 34 ARG QB 1 34 ARG QD . . 3.330 2.149 2.026 2.371 . 0 0 "[ . 1 . 2]" 1
236 1 34 ARG QB 1 34 ARG HE . . 4.560 3.494 2.114 3.983 . 0 0 "[ . 1 . 2]" 1
237 1 34 ARG QB 1 35 ASN H . . 3.770 2.722 2.535 3.535 . 0 0 "[ . 1 . 2]" 1
238 1 34 ARG QB 1 36 SER H . . 4.570 4.561 4.458 4.694 0.124 8 0 "[ . 1 . 2]" 1
239 1 34 ARG QB 1 37 ALA H . . 4.910 4.905 4.731 5.014 0.104 10 0 "[ . 1 . 2]" 1
240 1 34 ARG QB 1 56 VAL MG1 . . 4.420 3.423 2.673 3.574 . 0 0 "[ . 1 . 2]" 1
241 1 34 ARG QB 1 56 VAL QG . . 3.370 3.302 2.620 3.410 0.040 4 0 "[ . 1 . 2]" 1
242 1 34 ARG QB 1 56 VAL MG2 . . 4.420 4.353 3.773 4.458 0.038 15 0 "[ . 1 . 2]" 1
243 1 34 ARG QD 1 35 ASN H . . 4.910 4.782 4.418 4.954 0.044 20 0 "[ . 1 . 2]" 1
244 1 34 ARG QD 1 56 VAL QG . . 4.460 3.999 3.765 4.494 0.034 8 0 "[ . 1 . 2]" 1
245 1 34 ARG QD 1 57 GLY H . . 4.900 4.416 4.044 4.836 . 0 0 "[ . 1 . 2]" 1
246 1 34 ARG HE 1 60 VAL MG1 . . 4.960 4.206 3.193 5.051 0.091 11 0 "[ . 1 . 2]" 1
247 1 34 ARG QG 1 56 VAL QG . . 4.750 2.392 2.062 4.084 . 0 0 "[ . 1 . 2]" 1
248 1 35 ASN H 1 35 ASN QB . . 3.380 2.401 2.333 2.501 . 0 0 "[ . 1 . 2]" 1
249 1 35 ASN H 1 35 ASN HD21 . . 4.720 3.068 2.234 3.904 . 0 0 "[ . 1 . 2]" 1
250 1 35 ASN H 1 35 ASN QD . . 4.140 2.940 2.220 3.630 . 0 0 "[ . 1 . 2]" 1
251 1 35 ASN H 1 35 ASN HD22 . . 4.720 4.071 3.758 4.369 . 0 0 "[ . 1 . 2]" 1
252 1 35 ASN H 1 36 SER H . . 3.720 2.812 2.688 2.945 . 0 0 "[ . 1 . 2]" 1
253 1 35 ASN H 1 56 VAL QG . . 5.090 4.502 4.320 4.650 . 0 0 "[ . 1 . 2]" 1
254 1 35 ASN HA 1 37 ALA H . . 4.960 3.973 3.616 4.251 . 0 0 "[ . 1 . 2]" 1
255 1 35 ASN HA 1 38 LYS H . . 4.480 3.134 2.892 3.376 . 0 0 "[ . 1 . 2]" 1
256 1 35 ASN HA 1 38 LYS QB . . 4.900 2.967 2.548 3.500 . 0 0 "[ . 1 . 2]" 1
257 1 35 ASN HA 1 38 LYS QG . . 5.160 2.965 2.008 4.133 . 0 0 "[ . 1 . 2]" 1
258 1 35 ASN QB 1 36 SER H . . 4.280 3.239 3.127 3.357 . 0 0 "[ . 1 . 2]" 1
259 1 35 ASN QB 1 37 ALA H . . 5.070 4.934 4.769 5.081 0.011 5 0 "[ . 1 . 2]" 1
260 1 36 SER H 1 36 SER QB . . 3.510 2.426 2.355 2.484 . 0 0 "[ . 1 . 2]" 1
261 1 36 SER H 1 36 SER HG . . 3.360 2.258 2.096 2.353 . 0 0 "[ . 1 . 2]" 1
262 1 36 SER H 1 37 ALA H . . 3.720 2.732 2.639 2.918 . 0 0 "[ . 1 . 2]" 1
263 1 36 SER H 1 38 LYS H . . 4.890 4.099 3.934 4.224 . 0 0 "[ . 1 . 2]" 1
264 1 36 SER H 1 75 ILE MD . . 5.020 3.894 3.627 4.162 . 0 0 "[ . 1 . 2]" 1
265 1 36 SER H 1 75 ILE MG . . 4.200 4.183 3.886 4.278 0.078 2 0 "[ . 1 . 2]" 1
266 1 36 SER H 1 82 ALA MB . . 4.560 4.671 4.487 4.750 0.190 19 0 "[ . 1 . 2]" 1
267 1 36 SER HA 1 75 ILE MD . . 4.390 4.078 3.454 4.464 0.074 8 0 "[ . 1 . 2]" 1
268 1 36 SER HA 1 75 ILE MG . . 4.120 3.174 2.789 3.448 . 0 0 "[ . 1 . 2]" 1
269 1 36 SER QB 1 75 ILE MD . . 4.460 2.106 1.836 2.708 . 0 0 "[ . 1 . 2]" 1
270 1 36 SER HG 1 37 ALA H . . 3.920 3.232 2.881 3.976 0.056 7 0 "[ . 1 . 2]" 1
271 1 36 SER HG 1 75 ILE MD . . 4.590 2.757 2.167 3.336 . 0 0 "[ . 1 . 2]" 1
272 1 36 SER HG 1 75 ILE MG . . 4.950 3.789 2.703 4.631 . 0 0 "[ . 1 . 2]" 1
273 1 36 SER HG 1 82 ALA MB . . 5.500 3.696 3.363 4.231 . 0 0 "[ . 1 . 2]" 1
274 1 37 ALA H 1 37 ALA MB . . 3.230 2.254 2.236 2.296 . 0 0 "[ . 1 . 2]" 1
275 1 37 ALA H 1 38 LYS H . . 3.490 2.661 2.573 2.842 . 0 0 "[ . 1 . 2]" 1
276 1 37 ALA H 1 39 GLU H . . 4.750 4.363 4.207 4.616 . 0 0 "[ . 1 . 2]" 1
277 1 37 ALA H 1 43 PHE QE . . 5.080 5.036 4.653 5.131 0.051 1 0 "[ . 1 . 2]" 1
278 1 37 ALA HA 1 39 GLU H . . 5.130 4.709 4.565 4.878 . 0 0 "[ . 1 . 2]" 1
279 1 37 ALA HA 1 40 ALA H . . 4.540 3.770 3.619 4.014 . 0 0 "[ . 1 . 2]" 1
280 1 37 ALA HA 1 40 ALA MB . . 4.530 3.539 3.123 3.883 . 0 0 "[ . 1 . 2]" 1
281 1 37 ALA HA 1 42 TYR H . . 5.350 5.161 4.710 5.402 0.052 1 0 "[ . 1 . 2]" 1
282 1 37 ALA HA 1 43 PHE QD . . 5.430 4.745 4.472 4.947 . 0 0 "[ . 1 . 2]" 1
283 1 37 ALA HA 1 43 PHE QE . . 4.140 3.454 3.151 3.651 . 0 0 "[ . 1 . 2]" 1
284 1 37 ALA HA 1 43 PHE HZ . . 4.030 3.207 3.001 3.411 . 0 0 "[ . 1 . 2]" 1
285 1 37 ALA HA 1 52 ILE MG . . 5.160 4.271 3.937 4.615 . 0 0 "[ . 1 . 2]" 1
286 1 37 ALA MB 1 38 LYS H . . 3.410 2.854 2.763 2.981 . 0 0 "[ . 1 . 2]" 1
287 1 37 ALA MB 1 42 TYR H . . 4.910 4.798 4.338 4.951 0.041 1 0 "[ . 1 . 2]" 1
288 1 37 ALA MB 1 42 TYR HA . . 4.680 2.940 2.518 3.178 . 0 0 "[ . 1 . 2]" 1
289 1 37 ALA MB 1 42 TYR QB . . 4.880 4.113 3.695 4.379 . 0 0 "[ . 1 . 2]" 1
290 1 37 ALA MB 1 42 TYR QD . . 4.410 3.303 3.016 3.616 . 0 0 "[ . 1 . 2]" 1
291 1 37 ALA MB 1 42 TYR QE . . 3.840 3.260 3.008 3.660 . 0 0 "[ . 1 . 2]" 1
292 1 37 ALA MB 1 43 PHE QD . . 4.760 4.492 4.181 4.697 . 0 0 "[ . 1 . 2]" 1
293 1 37 ALA MB 1 43 PHE QE . . 3.850 3.359 3.012 3.570 . 0 0 "[ . 1 . 2]" 1
294 1 37 ALA MB 1 43 PHE HZ . . 4.040 4.036 3.624 4.104 0.064 14 0 "[ . 1 . 2]" 1
295 1 37 ALA MB 1 52 ILE MD . . 4.460 3.675 3.321 4.015 . 0 0 "[ . 1 . 2]" 1
296 1 37 ALA MB 1 52 ILE MG . . 3.520 2.420 2.192 2.766 . 0 0 "[ . 1 . 2]" 1
297 1 37 ALA MB 1 107 PHE HZ . . 4.540 4.093 3.547 4.545 0.005 9 0 "[ . 1 . 2]" 1
298 1 38 LYS H 1 38 LYS HB2 . . 3.460 2.397 2.258 2.573 . 0 0 "[ . 1 . 2]" 1
299 1 38 LYS H 1 38 LYS HB3 . . 3.460 3.536 3.497 3.548 0.088 19 0 "[ . 1 . 2]" 1
300 1 38 LYS H 1 38 LYS QD . . 5.000 3.563 2.474 4.499 . 0 0 "[ . 1 . 2]" 1
301 1 38 LYS H 1 38 LYS QE . . 5.170 3.659 1.802 4.749 . 0 0 "[ . 1 . 2]" 1
302 1 38 LYS H 1 38 LYS QG . . 3.770 2.684 2.046 3.709 . 0 0 "[ . 1 . 2]" 1
303 1 38 LYS H 1 39 GLU H . . 3.680 2.513 2.404 2.594 . 0 0 "[ . 1 . 2]" 1
304 1 38 LYS H 1 40 ALA H . . 4.650 3.890 3.779 3.979 . 0 0 "[ . 1 . 2]" 1
305 1 38 LYS HA 1 38 LYS QD . . 4.010 3.204 2.050 4.029 0.019 11 0 "[ . 1 . 2]" 1
306 1 38 LYS HA 1 38 LYS QE . . 2.930 2.717 1.824 3.157 0.227 15 0 "[ . 1 . 2]" 1
307 1 38 LYS HA 1 40 ALA H . . 4.720 4.593 4.434 4.737 0.017 8 0 "[ . 1 . 2]" 1
308 1 38 LYS HA 1 41 ASP HA . . 5.270 4.127 3.847 4.390 . 0 0 "[ . 1 . 2]" 1
309 1 38 LYS HA 1 42 TYR QE . . 3.880 2.658 2.245 2.858 . 0 0 "[ . 1 . 2]" 1
310 1 38 LYS QB 1 38 LYS QD . . 3.210 2.522 2.290 2.894 . 0 0 "[ . 1 . 2]" 1
311 1 38 LYS QB 1 38 LYS QE . . 3.920 2.290 1.768 3.125 . 0 0 "[ . 1 . 2]" 1
312 1 38 LYS QB 1 39 GLU H . . 3.700 2.325 2.226 2.455 . 0 0 "[ . 1 . 2]" 1
313 1 38 LYS QB 1 41 ASP H . . 4.950 4.904 4.766 4.979 0.029 15 0 "[ . 1 . 2]" 1
314 1 38 LYS QB 1 42 TYR QE . . 4.240 4.178 3.625 4.368 0.128 5 0 "[ . 1 . 2]" 1
315 1 38 LYS QD 1 42 TYR QE . . 4.190 3.424 1.893 4.272 0.082 20 0 "[ . 1 . 2]" 1
316 1 38 LYS QE 1 38 LYS QG . . 3.490 2.393 2.125 2.801 . 0 0 "[ . 1 . 2]" 1
317 1 38 LYS QE 1 39 GLU H . . 5.130 4.731 3.764 5.219 0.089 2 0 "[ . 1 . 2]" 1
318 1 38 LYS QE 1 42 TYR QE . . 3.920 2.849 1.813 3.927 0.007 12 0 "[ . 1 . 2]" 1
319 1 38 LYS QG 1 39 GLU H . . 4.220 4.014 3.724 4.333 0.113 17 0 "[ . 1 . 2]" 1
320 1 38 LYS QG 1 42 TYR QE . . 3.890 3.316 2.377 4.034 0.144 10 0 "[ . 1 . 2]" 1
321 1 39 GLU H 1 39 GLU HG2 . . 3.830 2.728 1.841 3.721 . 0 0 "[ . 1 . 2]" 1
322 1 39 GLU H 1 39 GLU QG . . 3.310 2.222 1.826 2.459 . 0 0 "[ . 1 . 2]" 1
323 1 39 GLU H 1 39 GLU HG3 . . 3.830 3.053 2.269 3.777 . 0 0 "[ . 1 . 2]" 1
324 1 39 GLU H 1 40 ALA H . . 3.590 2.591 2.519 2.736 . 0 0 "[ . 1 . 2]" 1
325 1 39 GLU HA 1 39 GLU HG2 . . 4.100 2.959 2.489 3.755 . 0 0 "[ . 1 . 2]" 1
326 1 39 GLU HA 1 39 GLU QG . . 3.590 2.792 2.363 3.349 . 0 0 "[ . 1 . 2]" 1
327 1 39 GLU HA 1 39 GLU HG3 . . 4.100 3.465 2.917 3.828 . 0 0 "[ . 1 . 2]" 1
328 1 39 GLU HA 1 41 ASP H . . 4.160 3.782 3.544 4.052 . 0 0 "[ . 1 . 2]" 1
329 1 39 GLU QB 1 40 ALA H . . 3.760 2.982 2.807 3.651 . 0 0 "[ . 1 . 2]" 1
330 1 39 GLU HB2 1 40 ALA H . . 4.310 3.101 2.878 3.990 . 0 0 "[ . 1 . 2]" 1
331 1 39 GLU HB3 1 40 ALA H . . 4.310 3.946 3.825 4.318 0.008 8 0 "[ . 1 . 2]" 1
332 1 39 GLU HG2 1 40 ALA H . . 5.500 4.514 2.944 5.197 . 0 0 "[ . 1 . 2]" 1
333 1 39 GLU HG3 1 40 ALA H . . 5.500 4.547 2.670 5.279 . 0 0 "[ . 1 . 2]" 1
334 1 40 ALA H 1 40 ALA MB . . 3.240 2.338 2.291 2.415 . 0 0 "[ . 1 . 2]" 1
335 1 40 ALA H 1 41 ASP H . . 3.590 2.276 2.210 2.381 . 0 0 "[ . 1 . 2]" 1
336 1 40 ALA H 1 41 ASP HA . . 5.290 4.429 4.335 4.522 . 0 0 "[ . 1 . 2]" 1
337 1 40 ALA HA 1 43 PHE QE . . 4.620 4.538 4.231 4.678 0.058 20 0 "[ . 1 . 2]" 1
338 1 40 ALA MB 1 41 ASP H . . 4.030 3.362 3.255 3.474 . 0 0 "[ . 1 . 2]" 1
339 1 40 ALA MB 1 43 PHE QE . . 3.500 2.277 2.032 2.446 . 0 0 "[ . 1 . 2]" 1
340 1 40 ALA MB 1 43 PHE HZ . . 4.480 3.034 2.553 3.377 . 0 0 "[ . 1 . 2]" 1
341 1 40 ALA MB 1 82 ALA H . . 4.220 3.194 2.310 3.625 . 0 0 "[ . 1 . 2]" 1
342 1 41 ASP H 1 41 ASP HB3 . . 4.060 3.768 3.657 4.120 0.060 6 0 "[ . 1 . 2]" 1
343 1 41 ASP H 1 43 PHE H . . 4.960 4.961 4.872 5.000 0.040 11 0 "[ . 1 . 2]" 1
344 1 41 ASP HB2 1 42 TYR H . . 5.380 3.931 3.622 4.099 . 0 0 "[ . 1 . 2]" 1
345 1 41 ASP HB2 1 43 PHE QD . . 5.030 5.071 4.281 5.224 0.194 3 0 "[ . 1 . 2]" 1
346 1 41 ASP HB3 1 43 PHE QD . . 5.060 3.746 3.469 5.164 0.104 18 0 "[ . 1 . 2]" 1
347 1 42 TYR H 1 42 TYR QB . . 3.570 2.226 2.185 2.292 . 0 0 "[ . 1 . 2]" 1
348 1 42 TYR H 1 42 TYR QD . . 4.420 2.296 2.099 2.446 . 0 0 "[ . 1 . 2]" 1
349 1 42 TYR H 1 43 PHE H . . 3.760 2.600 2.506 2.693 . 0 0 "[ . 1 . 2]" 1
350 1 42 TYR H 1 46 ALA HA . . 5.100 4.658 4.253 5.101 0.001 3 0 "[ . 1 . 2]" 1
351 1 42 TYR H 1 46 ALA MB . . 4.260 3.739 3.445 4.157 . 0 0 "[ . 1 . 2]" 1
352 1 42 TYR H 1 52 ILE MD . . 5.090 5.158 5.109 5.205 0.115 1 0 "[ . 1 . 2]" 1
353 1 42 TYR HA 1 42 TYR QD . . 4.350 3.036 2.935 3.076 . 0 0 "[ . 1 . 2]" 1
354 1 42 TYR HA 1 42 TYR QE . . 4.680 4.543 4.459 4.588 . 0 0 "[ . 1 . 2]" 1
355 1 42 TYR HA 1 45 ASP H . . 4.910 4.495 4.421 4.606 . 0 0 "[ . 1 . 2]" 1
356 1 42 TYR HA 1 52 ILE MD . . 5.480 3.262 3.086 3.412 . 0 0 "[ . 1 . 2]" 1
357 1 42 TYR QB 1 45 ASP H . . 4.530 3.004 2.861 3.307 . 0 0 "[ . 1 . 2]" 1
358 1 42 TYR QB 1 46 ALA H . . 4.120 3.071 2.979 3.180 . 0 0 "[ . 1 . 2]" 1
359 1 42 TYR QB 1 46 ALA HA . . 4.130 2.139 2.019 2.328 . 0 0 "[ . 1 . 2]" 1
360 1 42 TYR QB 1 46 ALA MB . . 4.080 2.291 2.054 2.470 . 0 0 "[ . 1 . 2]" 1
361 1 42 TYR QB 1 52 ILE MD . . 4.650 2.435 2.285 2.596 . 0 0 "[ . 1 . 2]" 1
362 1 42 TYR HB2 1 46 ALA HA . . 4.750 2.461 2.128 2.894 . 0 0 "[ . 1 . 2]" 1
363 1 42 TYR HB2 1 52 ILE MD . . 5.300 3.921 3.744 4.065 . 0 0 "[ . 1 . 2]" 1
364 1 42 TYR HB3 1 46 ALA HA . . 4.750 2.395 2.069 2.549 . 0 0 "[ . 1 . 2]" 1
365 1 42 TYR HB3 1 52 ILE MD . . 5.300 2.459 2.304 2.627 . 0 0 "[ . 1 . 2]" 1
366 1 42 TYR QD 1 46 ALA H . . 4.920 4.908 4.679 4.962 0.042 4 0 "[ . 1 . 2]" 1
367 1 42 TYR QD 1 46 ALA HA . . 4.820 3.012 2.346 3.184 . 0 0 "[ . 1 . 2]" 1
368 1 42 TYR QD 1 46 ALA MB . . 4.410 3.496 3.105 3.750 . 0 0 "[ . 1 . 2]" 1
369 1 42 TYR QD 1 49 ALA HA . . 5.430 2.139 1.998 2.550 . 0 0 "[ . 1 . 2]" 1
370 1 42 TYR QD 1 49 ALA MB . . 3.950 3.092 2.649 3.534 . 0 0 "[ . 1 . 2]" 1
371 1 42 TYR QD 1 52 ILE HB . . 4.600 2.779 2.316 3.251 . 0 0 "[ . 1 . 2]" 1
372 1 42 TYR QD 1 52 ILE MD . . 4.500 1.902 1.813 1.978 . 0 0 "[ . 1 . 2]" 1
373 1 42 TYR QD 1 52 ILE MG . . 4.400 2.943 2.397 3.422 . 0 0 "[ . 1 . 2]" 1
374 1 42 TYR QE 1 46 ALA MB . . 5.040 4.656 4.304 4.896 . 0 0 "[ . 1 . 2]" 1
375 1 42 TYR QE 1 49 ALA H . . 4.380 4.538 4.443 4.623 0.243 11 0 "[ . 1 . 2]" 1
376 1 42 TYR QE 1 49 ALA HA . . 5.330 2.132 2.002 2.325 . 0 0 "[ . 1 . 2]" 1
377 1 42 TYR QE 1 49 ALA MB . . 3.640 2.330 1.997 2.842 . 0 0 "[ . 1 . 2]" 1
378 1 42 TYR QE 1 52 ILE HB . . 4.280 2.841 2.472 3.392 . 0 0 "[ . 1 . 2]" 1
379 1 42 TYR QE 1 52 ILE MD . . 5.150 3.647 3.417 3.825 . 0 0 "[ . 1 . 2]" 1
380 1 42 TYR QE 1 52 ILE MG . . 4.130 3.451 3.137 3.827 . 0 0 "[ . 1 . 2]" 1
381 1 42 TYR QE 1 53 ASP H . . 4.740 3.538 3.157 4.391 . 0 0 "[ . 1 . 2]" 1
382 1 43 PHE H 1 43 PHE QE . . 4.840 4.582 4.417 4.803 . 0 0 "[ . 1 . 2]" 1
383 1 43 PHE HA 1 43 PHE QD . . 3.500 2.475 2.299 2.753 . 0 0 "[ . 1 . 2]" 1
384 1 43 PHE HA 1 45 ASP H . . 4.950 4.377 4.280 4.466 . 0 0 "[ . 1 . 2]" 1
385 1 43 PHE HA 1 83 LYS QD . . 4.820 4.676 4.334 4.859 0.039 15 0 "[ . 1 . 2]" 1
386 1 43 PHE QB 1 83 LYS QD . . 4.310 2.509 2.108 2.736 . 0 0 "[ . 1 . 2]" 1
387 1 43 PHE HB2 1 83 LYS HD2 . . 5.500 3.238 2.632 4.135 . 0 0 "[ . 1 . 2]" 1
388 1 43 PHE HB2 1 83 LYS HD3 . . 5.500 4.273 2.932 5.092 . 0 0 "[ . 1 . 2]" 1
389 1 43 PHE HB3 1 83 LYS HD2 . . 5.500 2.994 2.263 4.231 . 0 0 "[ . 1 . 2]" 1
390 1 43 PHE HB3 1 83 LYS HD3 . . 5.500 3.533 2.827 4.040 . 0 0 "[ . 1 . 2]" 1
391 1 43 PHE QD 1 45 ASP QB . . 4.570 4.147 3.630 4.619 0.049 8 0 "[ . 1 . 2]" 1
392 1 43 PHE QD 1 52 ILE MD . . 3.720 3.237 2.957 3.666 . 0 0 "[ . 1 . 2]" 1
393 1 43 PHE QD 1 52 ILE MG . . 4.120 3.749 3.533 3.955 . 0 0 "[ . 1 . 2]" 1
394 1 43 PHE QD 1 83 LYS H . . 4.730 4.620 4.307 4.846 0.116 18 0 "[ . 1 . 2]" 1
395 1 43 PHE QD 1 83 LYS HD2 . . 5.500 2.966 2.448 3.622 . 0 0 "[ . 1 . 2]" 1
396 1 43 PHE QD 1 83 LYS HD3 . . 5.500 3.872 2.427 4.651 . 0 0 "[ . 1 . 2]" 1
397 1 43 PHE QD 1 83 LYS QE . . 4.650 3.850 3.200 4.475 . 0 0 "[ . 1 . 2]" 1
398 1 43 PHE QD 1 83 LYS QG . . 4.470 3.444 3.129 3.839 . 0 0 "[ . 1 . 2]" 1
399 1 43 PHE QD 1 106 TYR QE . . 3.670 2.671 2.225 3.494 . 0 0 "[ . 1 . 2]" 1
400 1 43 PHE QE 1 52 ILE MD . . 5.340 4.150 3.738 4.546 . 0 0 "[ . 1 . 2]" 1
401 1 43 PHE QE 1 52 ILE MG . . 3.540 3.424 3.065 3.587 0.047 16 0 "[ . 1 . 2]" 1
402 1 43 PHE QE 1 82 ALA H . . 4.650 3.699 3.338 4.176 . 0 0 "[ . 1 . 2]" 1
403 1 43 PHE QE 1 82 ALA MB . . 3.530 2.753 2.419 3.526 . 0 0 "[ . 1 . 2]" 1
404 1 43 PHE QE 1 83 LYS H . . 4.140 3.228 2.945 3.409 . 0 0 "[ . 1 . 2]" 1
405 1 43 PHE QE 1 83 LYS HA . . 4.600 3.649 3.155 4.472 . 0 0 "[ . 1 . 2]" 1
406 1 43 PHE QE 1 83 LYS HB2 . . 3.970 3.212 2.697 4.085 0.115 3 0 "[ . 1 . 2]" 1
407 1 43 PHE QE 1 106 TYR QE . . 3.990 3.581 3.097 4.022 0.032 8 0 "[ . 1 . 2]" 1
408 1 43 PHE HZ 1 82 ALA MB . . 4.060 2.260 1.874 3.004 . 0 0 "[ . 1 . 2]" 1
409 1 43 PHE HZ 1 83 LYS H . . 5.040 3.279 3.075 3.474 . 0 0 "[ . 1 . 2]" 1
410 1 43 PHE HZ 1 83 LYS HB2 . . 4.540 3.504 2.900 4.592 0.052 18 0 "[ . 1 . 2]" 1
411 1 43 PHE HZ 1 86 LEU QD . . 3.770 3.632 2.936 3.882 0.112 19 0 "[ . 1 . 2]" 1
412 1 44 GLY H 1 45 ASP H . . 3.410 2.376 2.270 2.548 . 0 0 "[ . 1 . 2]" 1
413 1 44 GLY H 1 46 ALA H . . 4.690 3.864 3.634 4.154 . 0 0 "[ . 1 . 2]" 1
414 1 44 GLY H 1 46 ALA MB . . 4.990 4.087 3.843 4.259 . 0 0 "[ . 1 . 2]" 1
415 1 44 GLY HA2 1 46 ALA H . . 5.040 3.629 3.440 3.821 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY HA2 1 46 ALA MB . . 5.450 4.206 3.987 4.311 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLY HA3 1 46 ALA H . . 4.960 4.626 4.351 4.784 . 0 0 "[ . 1 . 2]" 1
418 1 45 ASP H 1 45 ASP QB . . 3.500 2.464 2.370 2.549 . 0 0 "[ . 1 . 2]" 1
419 1 45 ASP H 1 52 ILE MD . . 4.510 3.750 3.615 3.938 . 0 0 "[ . 1 . 2]" 1
420 1 45 ASP HA 1 46 ALA H . . 3.510 2.698 2.514 2.859 . 0 0 "[ . 1 . 2]" 1
421 1 45 ASP HA 1 47 ASP H . . 4.090 3.208 2.948 3.395 . 0 0 "[ . 1 . 2]" 1
422 1 45 ASP QB 1 46 ALA H . . 4.050 3.799 3.731 3.842 . 0 0 "[ . 1 . 2]" 1
423 1 45 ASP QB 1 47 ASP H . . 4.590 4.345 4.139 4.658 0.068 13 0 "[ . 1 . 2]" 1
424 1 45 ASP QB 1 48 LYS QG . . 4.660 2.560 1.845 3.558 . 0 0 "[ . 1 . 2]" 1
425 1 45 ASP QB 1 52 ILE MD . . 3.850 2.019 1.854 2.666 . 0 0 "[ . 1 . 2]" 1
426 1 45 ASP QB 1 106 TYR QE . . 4.240 2.718 2.119 3.104 . 0 0 "[ . 1 . 2]" 1
427 1 46 ALA H 1 46 ALA MB . . 2.990 2.219 2.168 2.261 . 0 0 "[ . 1 . 2]" 1
428 1 46 ALA H 1 47 ASP H . . 3.510 2.621 2.472 2.712 . 0 0 "[ . 1 . 2]" 1
429 1 46 ALA H 1 48 LYS H . . 4.200 4.178 3.964 4.343 0.143 4 0 "[ . 1 . 2]" 1
430 1 46 ALA H 1 49 ALA H . . 5.250 5.326 5.286 5.363 0.113 6 0 "[ . 1 . 2]" 1
431 1 46 ALA H 1 52 ILE MD . . 4.450 4.446 4.339 4.517 0.067 8 0 "[ . 1 . 2]" 1
432 1 46 ALA HA 1 49 ALA H . . 4.410 3.430 3.246 3.676 . 0 0 "[ . 1 . 2]" 1
433 1 46 ALA HA 1 49 ALA MB . . 4.530 2.841 2.582 3.177 . 0 0 "[ . 1 . 2]" 1
434 1 46 ALA MB 1 47 ASP H . . 3.600 2.895 2.716 2.974 . 0 0 "[ . 1 . 2]" 1
435 1 46 ALA MB 1 47 ASP HA . . 4.930 3.927 3.808 3.981 . 0 0 "[ . 1 . 2]" 1
436 1 46 ALA MB 1 49 ALA H . . 4.560 4.347 4.069 4.549 . 0 0 "[ . 1 . 2]" 1
437 1 46 ALA MB 1 49 ALA MB . . 4.680 3.401 3.038 3.852 . 0 0 "[ . 1 . 2]" 1
438 1 47 ASP H 1 47 ASP QB . . 3.330 2.479 2.304 2.809 . 0 0 "[ . 1 . 2]" 1
439 1 47 ASP H 1 48 LYS H . . 3.330 2.550 2.377 2.701 . 0 0 "[ . 1 . 2]" 1
440 1 47 ASP H 1 49 ALA H . . 4.460 4.042 3.892 4.124 . 0 0 "[ . 1 . 2]" 1
441 1 47 ASP H 1 49 ALA MB . . 4.700 4.705 4.629 4.771 0.071 8 0 "[ . 1 . 2]" 1
442 1 47 ASP HA 1 49 ALA H . . 4.930 3.623 3.369 4.077 . 0 0 "[ . 1 . 2]" 1
443 1 47 ASP QB 1 48 LYS H . . 4.340 3.124 2.716 3.336 . 0 0 "[ . 1 . 2]" 1
444 1 47 ASP QB 1 49 ALA H . . 5.070 4.596 4.435 4.712 . 0 0 "[ . 1 . 2]" 1
445 1 48 LYS H 1 48 LYS HB2 . . 3.780 3.482 2.371 3.848 0.068 9 0 "[ . 1 . 2]" 1
446 1 48 LYS H 1 48 LYS QB . . 3.120 2.751 2.098 3.046 . 0 0 "[ . 1 . 2]" 1
447 1 48 LYS H 1 48 LYS HB3 . . 3.780 2.932 2.200 3.601 . 0 0 "[ . 1 . 2]" 1
448 1 48 LYS H 1 48 LYS QE . . 4.030 3.894 3.144 4.146 0.116 4 0 "[ . 1 . 2]" 1
449 1 48 LYS H 1 48 LYS QG . . 3.730 2.632 2.064 3.842 0.112 18 0 "[ . 1 . 2]" 1
450 1 48 LYS H 1 49 ALA H . . 3.330 2.387 2.194 2.586 . 0 0 "[ . 1 . 2]" 1
451 1 48 LYS H 1 50 THR H . . 4.930 4.985 4.943 5.030 0.100 4 0 "[ . 1 . 2]" 1
452 1 48 LYS H 1 52 ILE MD . . 3.700 3.690 3.344 3.755 0.055 18 0 "[ . 1 . 2]" 1
453 1 48 LYS HA 1 48 LYS HD2 . . 5.480 5.140 3.951 5.546 0.066 3 0 "[ . 1 . 2]" 1
454 1 48 LYS HA 1 48 LYS QD . . 4.780 4.367 3.815 4.547 . 0 0 "[ . 1 . 2]" 1
455 1 48 LYS HA 1 48 LYS HD3 . . 5.480 4.837 4.476 5.232 . 0 0 "[ . 1 . 2]" 1
456 1 48 LYS HA 1 48 LYS HE2 . . 5.500 4.586 4.187 5.633 0.133 4 0 "[ . 1 . 2]" 1
457 1 48 LYS HA 1 48 LYS HE3 . . 5.500 4.879 3.925 5.716 0.216 8 0 "[ . 1 . 2]" 1
458 1 48 LYS HA 1 50 THR H . . 4.980 3.572 3.293 4.044 . 0 0 "[ . 1 . 2]" 1
459 1 48 LYS HA 1 51 THR H . . 4.820 3.532 3.427 3.766 . 0 0 "[ . 1 . 2]" 1
460 1 48 LYS QB 1 48 LYS QD . . 2.710 2.366 2.233 2.760 0.050 20 0 "[ . 1 . 2]" 1
461 1 48 LYS QB 1 48 LYS QE . . 3.090 1.922 1.748 2.027 . 0 0 "[ . 1 . 2]" 1
462 1 48 LYS QB 1 51 THR HB . . 5.320 2.608 1.986 4.136 . 0 0 "[ . 1 . 2]" 1
463 1 48 LYS QB 1 51 THR MG . . 4.900 3.588 2.897 4.834 . 0 0 "[ . 1 . 2]" 1
464 1 48 LYS QB 1 52 ILE MD . . 4.440 3.772 2.295 4.428 . 0 0 "[ . 1 . 2]" 1
465 1 48 LYS HB2 1 52 ILE MD . . 5.120 4.333 2.376 4.832 . 0 0 "[ . 1 . 2]" 1
466 1 48 LYS HB3 1 52 ILE MD . . 5.120 4.362 2.600 5.145 0.025 9 0 "[ . 1 . 2]" 1
467 1 48 LYS QD 1 51 THR HB . . 5.220 3.590 2.968 4.575 . 0 0 "[ . 1 . 2]" 1
468 1 48 LYS QD 1 51 THR MG . . 4.770 3.558 2.982 4.784 0.014 9 0 "[ . 1 . 2]" 1
469 1 48 LYS QD 1 52 ILE MD . . 3.920 3.106 2.785 3.956 0.036 8 0 "[ . 1 . 2]" 1
470 1 48 LYS QD 1 52 ILE QG . . 4.670 3.135 2.935 3.687 . 0 0 "[ . 1 . 2]" 1
471 1 48 LYS QD 1 106 TYR QE . . 3.930 2.836 2.374 3.202 . 0 0 "[ . 1 . 2]" 1
472 1 48 LYS HD2 1 106 TYR QE . . 4.770 3.031 2.411 4.749 . 0 0 "[ . 1 . 2]" 1
473 1 48 LYS HD3 1 106 TYR QE . . 4.770 4.136 3.192 4.702 . 0 0 "[ . 1 . 2]" 1
474 1 48 LYS QE 1 48 LYS QG . . 3.140 2.399 2.254 2.816 . 0 0 "[ . 1 . 2]" 1
475 1 48 LYS QE 1 51 THR MG . . 4.590 4.561 4.285 4.656 0.066 20 0 "[ . 1 . 2]" 1
476 1 48 LYS QG 1 49 ALA H . . 4.680 3.890 3.560 4.398 . 0 0 "[ . 1 . 2]" 1
477 1 48 LYS QG 1 50 THR H . . 5.060 5.103 4.896 5.178 0.118 8 0 "[ . 1 . 2]" 1
478 1 48 LYS QG 1 52 ILE MD . . 4.400 2.645 2.262 4.051 . 0 0 "[ . 1 . 2]" 1
479 1 48 LYS QG 1 52 ILE QG . . 4.050 2.126 1.867 4.118 0.068 8 0 "[ . 1 . 2]" 1
480 1 48 LYS QG 1 106 TYR QE . . 4.190 4.168 3.552 4.335 0.145 8 0 "[ . 1 . 2]" 1
481 1 48 LYS HG2 1 52 ILE MD . . 5.100 3.184 2.794 4.786 . 0 0 "[ . 1 . 2]" 1
482 1 48 LYS HG3 1 52 ILE MD . . 5.100 3.124 2.341 4.915 . 0 0 "[ . 1 . 2]" 1
483 1 49 ALA H 1 49 ALA MB . . 3.070 2.120 2.088 2.170 . 0 0 "[ . 1 . 2]" 1
484 1 49 ALA H 1 50 THR H . . 3.940 3.000 2.920 3.075 . 0 0 "[ . 1 . 2]" 1
485 1 49 ALA H 1 51 THR H . . 5.040 4.471 4.390 4.565 . 0 0 "[ . 1 . 2]" 1
486 1 49 ALA H 1 52 ILE HB . . 4.720 4.755 4.661 4.784 0.064 1 0 "[ . 1 . 2]" 1
487 1 49 ALA HA 1 51 THR H . . 4.840 4.575 4.412 4.702 . 0 0 "[ . 1 . 2]" 1
488 1 49 ALA HA 1 52 ILE H . . 4.230 3.566 3.349 3.757 . 0 0 "[ . 1 . 2]" 1
489 1 49 ALA HA 1 52 ILE HB . . 4.840 2.528 2.328 2.710 . 0 0 "[ . 1 . 2]" 1
490 1 49 ALA HA 1 53 ASP H . . 4.540 3.841 3.715 4.004 . 0 0 "[ . 1 . 2]" 1
491 1 49 ALA MB 1 50 THR H . . 3.530 2.442 2.294 2.613 . 0 0 "[ . 1 . 2]" 1
492 1 49 ALA MB 1 51 THR H . . 4.610 4.476 4.352 4.601 . 0 0 "[ . 1 . 2]" 1
493 1 49 ALA MB 1 53 ASP H . . 4.360 4.384 4.256 4.481 0.121 20 0 "[ . 1 . 2]" 1
494 1 50 THR H 1 50 THR HB . . 3.490 2.593 2.491 2.695 . 0 0 "[ . 1 . 2]" 1
495 1 50 THR H 1 50 THR MG . . 3.660 3.555 1.985 3.749 0.089 20 0 "[ . 1 . 2]" 1
496 1 50 THR H 1 51 THR H . . 3.630 2.583 2.431 2.726 . 0 0 "[ . 1 . 2]" 1
497 1 50 THR HA 1 50 THR MG . . 3.580 2.386 2.249 3.171 . 0 0 "[ . 1 . 2]" 1
498 1 50 THR HA 1 53 ASP H . . 4.440 3.551 3.429 3.714 . 0 0 "[ . 1 . 2]" 1
499 1 50 THR HA 1 53 ASP QB . . 4.960 2.875 2.461 3.265 . 0 0 "[ . 1 . 2]" 1
500 1 50 THR HA 1 54 GLU H . . 4.730 4.155 3.892 4.445 . 0 0 "[ . 1 . 2]" 1
501 1 50 THR HB 1 51 THR H . . 4.500 2.719 2.436 4.044 . 0 0 "[ . 1 . 2]" 1
502 1 50 THR MG 1 51 THR H . . 3.750 3.391 2.091 3.690 . 0 0 "[ . 1 . 2]" 1
503 1 50 THR MG 1 53 ASP H . . 4.800 4.862 4.804 4.978 0.178 2 0 "[ . 1 . 2]" 1
504 1 50 THR MG 1 54 GLU QB . . 4.850 4.076 3.218 4.611 . 0 0 "[ . 1 . 2]" 1
505 1 51 THR H 1 51 THR HB . . 3.010 2.484 2.419 2.602 . 0 0 "[ . 1 . 2]" 1
506 1 51 THR H 1 51 THR MG . . 4.230 3.711 3.669 3.782 . 0 0 "[ . 1 . 2]" 1
507 1 51 THR H 1 52 ILE H . . 3.330 2.610 2.435 2.751 . 0 0 "[ . 1 . 2]" 1
508 1 51 THR H 1 53 ASP H . . 4.740 4.220 3.982 4.424 . 0 0 "[ . 1 . 2]" 1
509 1 51 THR H 1 54 GLU H . . 5.250 4.763 4.653 4.885 . 0 0 "[ . 1 . 2]" 1
510 1 51 THR HA 1 51 THR MG . . 3.530 2.396 2.326 2.486 . 0 0 "[ . 1 . 2]" 1
511 1 51 THR HA 1 54 GLU H . . 3.670 3.625 3.394 3.722 0.052 10 0 "[ . 1 . 2]" 1
512 1 51 THR HA 1 54 GLU QB . . 3.610 2.806 2.316 3.118 . 0 0 "[ . 1 . 2]" 1
513 1 51 THR HA 1 55 GLN QG . . 4.490 3.783 3.485 4.093 . 0 0 "[ . 1 . 2]" 1
514 1 51 THR HB 1 52 ILE H . . 4.470 2.415 2.196 2.594 . 0 0 "[ . 1 . 2]" 1
515 1 51 THR HB 1 54 GLU QB . . 5.420 5.319 4.869 5.457 0.037 8 0 "[ . 1 . 2]" 1
516 1 51 THR MG 1 52 ILE H . . 4.360 3.463 3.258 3.609 . 0 0 "[ . 1 . 2]" 1
517 1 51 THR MG 1 52 ILE HA . . 4.200 3.601 3.307 3.788 . 0 0 "[ . 1 . 2]" 1
518 1 51 THR MG 1 54 GLU H . . 4.950 4.814 4.475 4.958 0.008 12 0 "[ . 1 . 2]" 1
519 1 51 THR MG 1 54 GLU QB . . 4.470 3.807 3.424 4.028 . 0 0 "[ . 1 . 2]" 1
520 1 51 THR MG 1 55 GLN HE21 . . 4.140 3.003 1.866 4.305 0.165 3 0 "[ . 1 . 2]" 1
521 1 51 THR MG 1 55 GLN QE . . 3.590 2.699 1.825 3.718 0.128 8 0 "[ . 1 . 2]" 1
522 1 51 THR MG 1 55 GLN HE22 . . 4.140 3.187 2.577 4.132 . 0 0 "[ . 1 . 2]" 1
523 1 51 THR MG 1 106 TYR H . . 4.870 4.716 4.329 4.946 0.076 19 0 "[ . 1 . 2]" 1
524 1 51 THR MG 1 106 TYR QB . . 4.750 3.606 3.281 3.935 . 0 0 "[ . 1 . 2]" 1
525 1 52 ILE H 1 52 ILE HB . . 3.680 2.508 2.460 2.556 . 0 0 "[ . 1 . 2]" 1
526 1 52 ILE H 1 52 ILE MD . . 4.030 3.651 3.516 3.745 . 0 0 "[ . 1 . 2]" 1
527 1 52 ILE H 1 52 ILE HG12 . . 4.190 3.435 3.342 3.519 . 0 0 "[ . 1 . 2]" 1
528 1 52 ILE H 1 52 ILE QG . . 3.560 2.174 2.040 2.291 . 0 0 "[ . 1 . 2]" 1
529 1 52 ILE H 1 52 ILE HG13 . . 4.190 2.198 2.059 2.321 . 0 0 "[ . 1 . 2]" 1
530 1 52 ILE H 1 52 ILE MG . . 4.460 3.789 3.769 3.812 . 0 0 "[ . 1 . 2]" 1
531 1 52 ILE H 1 53 ASP H . . 3.760 2.829 2.674 2.945 . 0 0 "[ . 1 . 2]" 1
532 1 52 ILE HA 1 52 ILE MD . . 4.780 3.837 3.773 3.875 . 0 0 "[ . 1 . 2]" 1
533 1 52 ILE HA 1 54 GLU H . . 4.650 4.393 3.997 4.575 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE HA 1 55 GLN H . . 3.720 3.477 3.018 3.733 0.013 1 0 "[ . 1 . 2]" 1
535 1 52 ILE HA 1 55 GLN QB . . 5.310 2.743 2.109 3.119 . 0 0 "[ . 1 . 2]" 1
536 1 52 ILE HA 1 55 GLN QE . . 4.220 4.173 2.665 4.346 0.126 8 0 "[ . 1 . 2]" 1
537 1 52 ILE HA 1 56 VAL H . . 4.560 4.000 3.743 4.330 . 0 0 "[ . 1 . 2]" 1
538 1 52 ILE HB 1 53 ASP H . . 3.880 2.581 2.430 2.742 . 0 0 "[ . 1 . 2]" 1
539 1 52 ILE HB 1 54 GLU H . . 5.190 5.012 4.813 5.144 . 0 0 "[ . 1 . 2]" 1
540 1 52 ILE MD 1 52 ILE MG . . 3.530 1.912 1.882 1.955 . 0 0 "[ . 1 . 2]" 1
541 1 52 ILE MD 1 53 ASP H . . 5.500 4.630 4.508 4.754 . 0 0 "[ . 1 . 2]" 1
542 1 52 ILE MD 1 106 TYR QE . . 3.950 3.096 2.577 3.581 . 0 0 "[ . 1 . 2]" 1
543 1 52 ILE MD 1 107 PHE HZ . . 4.490 4.397 4.091 4.555 0.065 18 0 "[ . 1 . 2]" 1
544 1 52 ILE QG 1 55 GLN QE . . 5.090 4.653 3.618 5.215 0.125 8 0 "[ . 1 . 2]" 1
545 1 52 ILE MG 1 53 ASP H . . 4.270 3.254 3.074 3.525 . 0 0 "[ . 1 . 2]" 1
546 1 52 ILE MG 1 56 VAL QG . . 3.820 2.433 2.255 2.697 . 0 0 "[ . 1 . 2]" 1
547 1 52 ILE MG 1 106 TYR QE . . 4.720 3.631 3.317 4.016 . 0 0 "[ . 1 . 2]" 1
548 1 52 ILE MG 1 107 PHE HZ . . 3.770 2.416 2.103 2.815 . 0 0 "[ . 1 . 2]" 1
549 1 53 ASP H 1 53 ASP QB . . 3.470 2.303 2.204 2.480 . 0 0 "[ . 1 . 2]" 1
550 1 53 ASP H 1 54 GLU H . . 3.820 2.707 2.551 2.828 . 0 0 "[ . 1 . 2]" 1
551 1 53 ASP HA 1 56 VAL H . . 4.470 3.600 3.345 3.888 . 0 0 "[ . 1 . 2]" 1
552 1 53 ASP HA 1 56 VAL HB . . 4.680 3.052 2.626 3.720 . 0 0 "[ . 1 . 2]" 1
553 1 53 ASP HA 1 56 VAL QG . . 4.610 3.053 2.607 3.505 . 0 0 "[ . 1 . 2]" 1
554 1 53 ASP HA 1 57 GLY H . . 4.960 4.116 3.788 4.522 . 0 0 "[ . 1 . 2]" 1
555 1 53 ASP HB2 1 54 GLU H . . 4.220 3.526 2.674 4.051 . 0 0 "[ . 1 . 2]" 1
556 1 53 ASP HB3 1 54 GLU H . . 4.220 3.019 2.396 3.692 . 0 0 "[ . 1 . 2]" 1
557 1 54 GLU H 1 54 GLU QB . . 3.210 2.353 2.090 2.546 . 0 0 "[ . 1 . 2]" 1
558 1 54 GLU H 1 55 GLN H . . 3.720 2.625 2.402 2.790 . 0 0 "[ . 1 . 2]" 1
559 1 54 GLU H 1 56 VAL H . . 4.900 4.210 4.078 4.350 . 0 0 "[ . 1 . 2]" 1
560 1 54 GLU HA 1 57 GLY H . . 4.150 3.498 3.174 3.977 . 0 0 "[ . 1 . 2]" 1
561 1 54 GLU QB 1 55 GLN H . . 4.480 2.488 2.251 2.704 . 0 0 "[ . 1 . 2]" 1
562 1 55 GLN H 1 55 GLN QB . . 3.470 2.473 2.372 2.596 . 0 0 "[ . 1 . 2]" 1
563 1 55 GLN H 1 55 GLN HG2 . . 5.500 3.108 2.030 3.702 . 0 0 "[ . 1 . 2]" 1
564 1 55 GLN H 1 55 GLN HG3 . . 5.500 2.547 2.007 3.617 . 0 0 "[ . 1 . 2]" 1
565 1 55 GLN H 1 56 VAL H . . 3.840 2.745 2.653 2.828 . 0 0 "[ . 1 . 2]" 1
566 1 55 GLN HA 1 58 LEU QB . . 4.530 2.845 2.452 4.127 . 0 0 "[ . 1 . 2]" 1
567 1 55 GLN HA 1 58 LEU QD . . 3.910 2.429 2.082 3.017 . 0 0 "[ . 1 . 2]" 1
568 1 55 GLN HA 1 58 LEU HG . . 5.090 3.317 2.014 5.133 0.043 15 0 "[ . 1 . 2]" 1
569 1 55 GLN HA 1 104 LEU MD1 . . 5.110 4.260 2.706 5.166 0.056 8 0 "[ . 1 . 2]" 1
570 1 55 GLN HA 1 104 LEU QD . . 4.300 2.840 2.452 4.247 . 0 0 "[ . 1 . 2]" 1
571 1 55 GLN HA 1 104 LEU MD2 . . 5.110 3.620 2.459 5.128 0.018 17 0 "[ . 1 . 2]" 1
572 1 55 GLN QB 1 57 GLY H . . 4.960 4.550 4.355 4.749 . 0 0 "[ . 1 . 2]" 1
573 1 55 GLN QB 1 58 LEU QD . . 4.600 3.934 2.988 4.630 0.030 18 0 "[ . 1 . 2]" 1
574 1 55 GLN QB 1 104 LEU QD . . 4.980 2.634 2.017 3.346 . 0 0 "[ . 1 . 2]" 1
575 1 55 GLN QB 1 107 PHE QD . . 4.410 2.600 2.285 3.303 . 0 0 "[ . 1 . 2]" 1
576 1 55 GLN QB 1 107 PHE QE . . 4.200 2.332 1.861 3.542 . 0 0 "[ . 1 . 2]" 1
577 1 55 GLN QE 1 105 SER QB . . 5.100 3.783 3.107 5.085 . 0 0 "[ . 1 . 2]" 1
578 1 55 GLN QE 1 106 TYR H . . 3.520 2.362 1.815 3.268 . 0 0 "[ . 1 . 2]" 1
579 1 55 GLN QE 1 106 TYR QB . . 4.980 2.214 1.621 3.027 . 0 0 "[ . 1 . 2]" 1
580 1 55 GLN QE 1 107 PHE H . . 5.040 3.873 2.296 5.043 0.003 18 0 "[ . 1 . 2]" 1
581 1 55 GLN HE21 1 105 SER H . . 4.980 4.217 3.115 5.072 0.092 13 0 "[ . 1 . 2]" 1
582 1 55 GLN HE21 1 106 TYR H . . 4.040 3.340 1.856 4.050 0.010 12 0 "[ . 1 . 2]" 1
583 1 55 GLN HE22 1 105 SER H . . 4.980 3.885 2.593 5.104 0.124 6 0 "[ . 1 . 2]" 1
584 1 55 GLN HE22 1 106 TYR H . . 4.040 2.476 2.080 3.589 . 0 0 "[ . 1 . 2]" 1
585 1 56 VAL H 1 56 VAL HB . . 3.490 2.636 2.516 2.709 . 0 0 "[ . 1 . 2]" 1
586 1 56 VAL H 1 56 VAL MG1 . . 3.900 3.787 3.743 3.817 . 0 0 "[ . 1 . 2]" 1
587 1 56 VAL H 1 56 VAL QG . . 3.240 2.044 1.960 2.163 . 0 0 "[ . 1 . 2]" 1
588 1 56 VAL H 1 56 VAL MG2 . . 3.900 2.053 1.967 2.177 . 0 0 "[ . 1 . 2]" 1
589 1 56 VAL H 1 57 GLY H . . 3.680 2.645 2.528 2.762 . 0 0 "[ . 1 . 2]" 1
590 1 56 VAL H 1 58 LEU H . . 5.300 4.145 3.964 4.409 . 0 0 "[ . 1 . 2]" 1
591 1 56 VAL H 1 59 ILE HB . . 5.270 5.150 4.950 5.282 0.012 9 0 "[ . 1 . 2]" 1
592 1 56 VAL H 1 59 ILE MD . . 5.040 4.205 4.062 4.375 . 0 0 "[ . 1 . 2]" 1
593 1 56 VAL H 1 86 LEU QD . . 5.120 4.718 4.365 5.132 0.012 14 0 "[ . 1 . 2]" 1
594 1 56 VAL H 1 107 PHE QE . . 4.510 3.457 3.199 3.809 . 0 0 "[ . 1 . 2]" 1
595 1 56 VAL HA 1 59 ILE H . . 3.990 3.321 3.095 3.509 . 0 0 "[ . 1 . 2]" 1
596 1 56 VAL HA 1 59 ILE HB . . 4.560 2.555 2.302 2.741 . 0 0 "[ . 1 . 2]" 1
597 1 56 VAL HA 1 59 ILE MD . . 4.180 2.161 1.989 2.414 . 0 0 "[ . 1 . 2]" 1
598 1 56 VAL HA 1 59 ILE MG . . 4.300 3.845 3.609 3.997 . 0 0 "[ . 1 . 2]" 1
599 1 56 VAL HB 1 57 GLY H . . 3.900 2.683 2.491 2.860 . 0 0 "[ . 1 . 2]" 1
600 1 56 VAL QG 1 57 GLY H . . 3.750 3.272 3.170 3.370 . 0 0 "[ . 1 . 2]" 1
601 1 56 VAL QG 1 59 ILE HB . . 4.670 3.187 2.939 3.429 . 0 0 "[ . 1 . 2]" 1
602 1 56 VAL QG 1 59 ILE MD . . 3.680 2.751 2.451 3.140 . 0 0 "[ . 1 . 2]" 1
603 1 56 VAL QG 1 59 ILE MG . . 3.840 3.624 3.272 3.884 0.044 20 0 "[ . 1 . 2]" 1
604 1 56 VAL QG 1 60 VAL H . . 5.110 3.755 3.597 3.931 . 0 0 "[ . 1 . 2]" 1
605 1 56 VAL QG 1 86 LEU QD . . 3.060 1.830 1.730 1.963 . 0 0 "[ . 1 . 2]" 1
606 1 56 VAL QG 1 107 PHE QD . . 4.760 3.989 3.626 4.568 . 0 0 "[ . 1 . 2]" 1
607 1 56 VAL QG 1 107 PHE QE . . 4.040 2.518 2.001 3.056 . 0 0 "[ . 1 . 2]" 1
608 1 56 VAL QG 1 107 PHE HZ . . 3.750 2.617 2.207 3.017 . 0 0 "[ . 1 . 2]" 1
609 1 56 VAL MG1 1 57 GLY H . . 4.360 3.581 3.378 3.773 . 0 0 "[ . 1 . 2]" 1
610 1 56 VAL MG1 1 59 ILE MD . . 4.410 3.171 2.797 3.548 . 0 0 "[ . 1 . 2]" 1
611 1 56 VAL MG1 1 59 ILE MG . . 5.370 3.759 3.355 4.031 . 0 0 "[ . 1 . 2]" 1
612 1 56 VAL MG2 1 57 GLY H . . 4.360 3.791 3.669 3.904 . 0 0 "[ . 1 . 2]" 1
613 1 56 VAL MG2 1 59 ILE MD . . 4.410 3.027 2.657 3.502 . 0 0 "[ . 1 . 2]" 1
614 1 56 VAL MG2 1 59 ILE MG . . 5.370 4.763 4.530 5.076 . 0 0 "[ . 1 . 2]" 1
615 1 57 GLY H 1 58 LEU H . . 3.790 2.674 2.574 2.775 . 0 0 "[ . 1 . 2]" 1
616 1 57 GLY HA2 1 60 VAL H . . 4.980 3.328 3.204 3.416 . 0 0 "[ . 1 . 2]" 1
617 1 57 GLY HA2 1 60 VAL MG1 . . 4.380 3.064 2.985 3.136 . 0 0 "[ . 1 . 2]" 1
618 1 57 GLY HA2 1 60 VAL MG2 . . 4.500 1.898 1.820 2.010 . 0 0 "[ . 1 . 2]" 1
619 1 57 GLY HA3 1 60 VAL MG2 . . 5.190 3.275 3.225 3.370 . 0 0 "[ . 1 . 2]" 1
620 1 58 LEU H 1 58 LEU HB2 . . 3.980 2.546 2.341 3.712 . 0 0 "[ . 1 . 2]" 1
621 1 58 LEU H 1 58 LEU QB . . 3.390 2.462 2.311 2.832 . 0 0 "[ . 1 . 2]" 1
622 1 58 LEU H 1 58 LEU HB3 . . 3.980 3.572 2.937 3.625 . 0 0 "[ . 1 . 2]" 1
623 1 58 LEU H 1 58 LEU MD1 . . 4.300 3.416 2.016 3.756 . 0 0 "[ . 1 . 2]" 1
624 1 58 LEU H 1 58 LEU QD . . 3.440 2.922 2.010 3.159 . 0 0 "[ . 1 . 2]" 1
625 1 58 LEU H 1 58 LEU MD2 . . 4.300 3.425 3.087 3.978 . 0 0 "[ . 1 . 2]" 1
626 1 58 LEU H 1 58 LEU HG . . 3.580 2.541 2.190 3.682 0.102 15 0 "[ . 1 . 2]" 1
627 1 58 LEU H 1 59 ILE H . . 3.790 2.590 2.461 2.765 . 0 0 "[ . 1 . 2]" 1
628 1 58 LEU H 1 61 ASP QB . . 4.990 4.762 4.389 5.022 0.032 12 0 "[ . 1 . 2]" 1
629 1 58 LEU HA 1 58 LEU MD1 . . 4.800 3.695 2.731 3.893 . 0 0 "[ . 1 . 2]" 1
630 1 58 LEU HA 1 58 LEU QD . . 3.280 2.229 2.030 3.370 0.090 3 0 "[ . 1 . 2]" 1
631 1 58 LEU HA 1 58 LEU MD2 . . 4.800 2.435 2.037 4.105 . 0 0 "[ . 1 . 2]" 1
632 1 58 LEU HA 1 60 VAL MG2 . . 4.910 4.465 4.220 4.633 . 0 0 "[ . 1 . 2]" 1
633 1 58 LEU HA 1 61 ASP H . . 4.370 3.508 3.111 3.692 . 0 0 "[ . 1 . 2]" 1
634 1 58 LEU HA 1 61 ASP QB . . 4.720 2.678 2.352 3.085 . 0 0 "[ . 1 . 2]" 1
635 1 58 LEU HA 1 99 LEU QD . . 5.110 3.427 3.184 3.974 . 0 0 "[ . 1 . 2]" 1
636 1 58 LEU QB 1 99 LEU QD . . 4.710 1.966 1.785 2.294 . 0 0 "[ . 1 . 2]" 1
637 1 58 LEU QB 1 104 LEU QD . . 4.400 2.339 2.006 4.032 . 0 0 "[ . 1 . 2]" 1
638 1 58 LEU QD 1 61 ASP QB . . 4.900 3.778 3.352 4.554 . 0 0 "[ . 1 . 2]" 1
639 1 58 LEU QD 1 103 LEU H . . 5.200 5.093 4.883 5.241 0.041 13 0 "[ . 1 . 2]" 1
640 1 58 LEU QD 1 103 LEU QB . . 3.640 2.294 2.041 2.715 . 0 0 "[ . 1 . 2]" 1
641 1 58 LEU QD 1 103 LEU HG . . 4.290 3.508 2.945 4.306 0.016 3 0 "[ . 1 . 2]" 1
642 1 59 ILE H 1 59 ILE MD . . 3.920 3.667 3.571 3.727 . 0 0 "[ . 1 . 2]" 1
643 1 59 ILE H 1 59 ILE HG13 . . 5.140 2.212 2.094 2.291 . 0 0 "[ . 1 . 2]" 1
644 1 59 ILE H 1 59 ILE MG . . 4.570 3.787 3.764 3.818 . 0 0 "[ . 1 . 2]" 1
645 1 59 ILE H 1 60 VAL H . . 3.810 2.813 2.744 2.901 . 0 0 "[ . 1 . 2]" 1
646 1 59 ILE H 1 99 LEU QD . . 4.380 4.028 3.680 4.406 0.026 17 0 "[ . 1 . 2]" 1
647 1 59 ILE H 1 104 LEU MD1 . . 5.240 4.010 2.960 5.210 . 0 0 "[ . 1 . 2]" 1
648 1 59 ILE H 1 104 LEU QD . . 3.760 3.160 2.903 3.858 0.098 3 0 "[ . 1 . 2]" 1
649 1 59 ILE H 1 104 LEU MD2 . . 5.240 3.901 2.951 5.196 . 0 0 "[ . 1 . 2]" 1
650 1 59 ILE HA 1 59 ILE MD . . 4.580 3.832 3.809 3.850 . 0 0 "[ . 1 . 2]" 1
651 1 59 ILE HA 1 62 SER H . . 4.680 3.656 3.574 3.782 . 0 0 "[ . 1 . 2]" 1
652 1 59 ILE HA 1 62 SER HB2 . . 5.360 3.576 3.024 5.046 . 0 0 "[ . 1 . 2]" 1
653 1 59 ILE HA 1 62 SER HB3 . . 5.360 4.403 2.871 4.970 . 0 0 "[ . 1 . 2]" 1
654 1 59 ILE HA 1 93 ILE MD . . 4.120 1.940 1.763 2.170 . 0 0 "[ . 1 . 2]" 1
655 1 59 ILE HA 1 104 LEU QD . . 5.030 3.189 2.848 3.854 . 0 0 "[ . 1 . 2]" 1
656 1 59 ILE HB 1 59 ILE MD . . 3.690 2.468 2.448 2.489 . 0 0 "[ . 1 . 2]" 1
657 1 59 ILE HB 1 60 VAL H . . 3.800 2.405 2.343 2.478 . 0 0 "[ . 1 . 2]" 1
658 1 59 ILE HB 1 93 ILE MD . . 4.780 3.899 3.803 4.013 . 0 0 "[ . 1 . 2]" 1
659 1 59 ILE MD 1 59 ILE MG . . 3.390 1.926 1.859 1.942 . 0 0 "[ . 1 . 2]" 1
660 1 59 ILE MD 1 60 VAL H . . 4.640 4.491 4.444 4.558 . 0 0 "[ . 1 . 2]" 1
661 1 59 ILE MD 1 86 LEU HA . . 4.670 3.220 2.947 3.642 . 0 0 "[ . 1 . 2]" 1
662 1 59 ILE MD 1 90 ALA H . . 4.480 3.164 2.921 3.375 . 0 0 "[ . 1 . 2]" 1
663 1 59 ILE MD 1 90 ALA HA . . 5.410 3.375 3.031 3.633 . 0 0 "[ . 1 . 2]" 1
664 1 59 ILE MD 1 90 ALA MB . . 3.950 2.234 1.968 2.658 . 0 0 "[ . 1 . 2]" 1
665 1 59 ILE MD 1 93 ILE MD . . 4.390 3.501 3.351 3.632 . 0 0 "[ . 1 . 2]" 1
666 1 59 ILE MD 1 93 ILE MG . . 5.290 5.305 5.257 5.350 0.060 20 0 "[ . 1 . 2]" 1
667 1 59 ILE MD 1 104 LEU QD . . 4.050 2.538 1.832 2.737 . 0 0 "[ . 1 . 2]" 1
668 1 59 ILE MD 1 107 PHE QB . . 5.070 2.827 2.445 3.281 . 0 0 "[ . 1 . 2]" 1
669 1 59 ILE MD 1 107 PHE QD . . 4.650 2.801 2.401 3.115 . 0 0 "[ . 1 . 2]" 1
670 1 59 ILE HG12 1 59 ILE MG . . 3.650 2.437 2.417 2.458 . 0 0 "[ . 1 . 2]" 1
671 1 59 ILE HG12 1 93 ILE MD . . 4.260 2.408 2.165 2.635 . 0 0 "[ . 1 . 2]" 1
672 1 59 ILE HG12 1 93 ILE MG . . 5.040 4.320 4.247 4.440 . 0 0 "[ . 1 . 2]" 1
673 1 59 ILE HG12 1 104 LEU QD . . 5.170 2.306 1.984 2.828 . 0 0 "[ . 1 . 2]" 1
674 1 59 ILE HG13 1 60 VAL H . . 4.980 4.251 4.178 4.345 . 0 0 "[ . 1 . 2]" 1
675 1 59 ILE HG13 1 93 ILE MD . . 4.840 3.705 3.422 3.929 . 0 0 "[ . 1 . 2]" 1
676 1 59 ILE HG13 1 104 LEU QD . . 4.300 2.203 1.959 2.586 . 0 0 "[ . 1 . 2]" 1
677 1 59 ILE MG 1 60 VAL H . . 4.000 3.111 3.008 3.249 . 0 0 "[ . 1 . 2]" 1
678 1 59 ILE MG 1 61 ASP H . . 5.180 4.755 4.670 4.846 . 0 0 "[ . 1 . 2]" 1
679 1 59 ILE MG 1 63 LEU HG . . 4.590 2.798 2.572 2.972 . 0 0 "[ . 1 . 2]" 1
680 1 59 ILE MG 1 86 LEU HA . . 4.030 3.368 3.069 3.756 . 0 0 "[ . 1 . 2]" 1
681 1 59 ILE MG 1 89 SER H . . 4.380 4.415 4.337 4.508 0.128 13 0 "[ . 1 . 2]" 1
682 1 59 ILE MG 1 89 SER HA . . 4.440 4.326 3.903 4.481 0.041 6 0 "[ . 1 . 2]" 1
683 1 59 ILE MG 1 90 ALA H . . 4.410 3.511 3.265 3.775 . 0 0 "[ . 1 . 2]" 1
684 1 59 ILE MG 1 90 ALA MB . . 4.810 3.650 3.194 4.092 . 0 0 "[ . 1 . 2]" 1
685 1 59 ILE MG 1 93 ILE MD . . 3.510 1.978 1.906 2.176 . 0 0 "[ . 1 . 2]" 1
686 1 60 VAL H 1 60 VAL HB . . 3.740 3.663 3.639 3.701 . 0 0 "[ . 1 . 2]" 1
687 1 60 VAL H 1 60 VAL MG1 . . 3.340 2.009 1.952 2.095 . 0 0 "[ . 1 . 2]" 1
688 1 60 VAL H 1 60 VAL MG2 . . 4.230 2.255 2.170 2.350 . 0 0 "[ . 1 . 2]" 1
689 1 60 VAL H 1 61 ASP H . . 3.690 2.643 2.555 2.718 . 0 0 "[ . 1 . 2]" 1
690 1 60 VAL HA 1 62 SER H . . 4.790 4.252 4.080 4.533 . 0 0 "[ . 1 . 2]" 1
691 1 60 VAL HA 1 63 LEU H . . 4.540 3.426 3.166 3.721 . 0 0 "[ . 1 . 2]" 1
692 1 60 VAL HA 1 63 LEU MD1 . . 4.550 2.390 2.163 2.737 . 0 0 "[ . 1 . 2]" 1
693 1 60 VAL HA 1 63 LEU MD2 . . 5.150 4.640 4.361 5.015 . 0 0 "[ . 1 . 2]" 1
694 1 60 VAL HB 1 61 ASP H . . 3.980 4.003 3.989 4.025 0.045 3 0 "[ . 1 . 2]" 1
695 1 60 VAL HB 1 68 LEU HA . . 5.070 5.054 4.856 5.137 0.067 1 0 "[ . 1 . 2]" 1
696 1 60 VAL MG1 1 61 ASP H . . 4.790 3.841 3.752 3.903 . 0 0 "[ . 1 . 2]" 1
697 1 60 VAL MG1 1 68 LEU HB3 . . 4.560 4.460 4.035 4.619 0.059 11 0 "[ . 1 . 2]" 1
698 1 60 VAL MG2 1 61 ASP H . . 3.680 2.410 2.362 2.454 . 0 0 "[ . 1 . 2]" 1
699 1 61 ASP H 1 61 ASP QB . . 3.280 2.308 2.217 2.391 . 0 0 "[ . 1 . 2]" 1
700 1 61 ASP H 1 62 SER H . . 3.580 2.504 2.386 2.611 . 0 0 "[ . 1 . 2]" 1
701 1 61 ASP H 1 63 LEU H . . 4.870 3.797 3.699 3.979 . 0 0 "[ . 1 . 2]" 1
702 1 61 ASP HA 1 63 LEU H . . 3.930 3.921 3.736 3.998 0.068 11 0 "[ . 1 . 2]" 1
703 1 61 ASP QB 1 62 SER H . . 4.240 2.814 2.606 3.116 . 0 0 "[ . 1 . 2]" 1
704 1 62 SER H 1 62 SER HB2 . . 4.000 2.588 2.411 3.626 . 0 0 "[ . 1 . 2]" 1
705 1 62 SER H 1 62 SER QB . . 3.460 2.404 2.222 2.769 . 0 0 "[ . 1 . 2]" 1
706 1 62 SER H 1 62 SER HB3 . . 4.000 3.242 2.497 3.612 . 0 0 "[ . 1 . 2]" 1
707 1 62 SER H 1 63 LEU H . . 3.420 2.387 2.238 2.510 . 0 0 "[ . 1 . 2]" 1
708 1 62 SER H 1 63 LEU HB2 . . 4.740 4.539 4.357 4.724 . 0 0 "[ . 1 . 2]" 1
709 1 62 SER H 1 63 LEU HG . . 4.530 4.111 3.754 4.468 . 0 0 "[ . 1 . 2]" 1
710 1 62 SER H 1 93 ILE MD . . 4.360 3.684 3.522 4.026 . 0 0 "[ . 1 . 2]" 1
711 1 62 SER H 1 99 LEU QD . . 4.750 3.991 3.760 4.189 . 0 0 "[ . 1 . 2]" 1
712 1 62 SER H 1 99 LEU HG . . 5.370 5.359 4.998 5.442 0.072 20 0 "[ . 1 . 2]" 1
713 1 62 SER QB 1 63 LEU H . . 3.980 3.133 2.865 3.697 . 0 0 "[ . 1 . 2]" 1
714 1 62 SER QB 1 93 ILE MD . . 3.670 2.182 1.942 3.380 . 0 0 "[ . 1 . 2]" 1
715 1 62 SER QB 1 93 ILE MG . . 4.350 2.439 2.126 2.856 . 0 0 "[ . 1 . 2]" 1
716 1 62 SER QB 1 98 LYS QB . . 5.330 2.614 2.042 3.671 . 0 0 "[ . 1 . 2]" 1
717 1 62 SER QB 1 99 LEU QD . . 3.650 2.907 2.146 3.349 . 0 0 "[ . 1 . 2]" 1
718 1 62 SER HB2 1 63 LEU H . . 4.620 3.523 2.966 4.108 . 0 0 "[ . 1 . 2]" 1
719 1 62 SER HB2 1 93 ILE MD . . 4.390 2.523 1.964 3.656 . 0 0 "[ . 1 . 2]" 1
720 1 62 SER HB2 1 99 LEU MD1 . . 5.890 3.332 2.234 4.946 . 0 0 "[ . 1 . 2]" 1
721 1 62 SER HB2 1 99 LEU MD2 . . 5.890 4.531 3.318 5.486 . 0 0 "[ . 1 . 2]" 1
722 1 62 SER HB3 1 63 LEU H . . 4.620 3.873 2.931 4.353 . 0 0 "[ . 1 . 2]" 1
723 1 62 SER HB3 1 93 ILE MD . . 4.390 3.016 1.960 3.980 . 0 0 "[ . 1 . 2]" 1
724 1 62 SER HB3 1 99 LEU MD1 . . 5.890 3.680 2.619 5.083 . 0 0 "[ . 1 . 2]" 1
725 1 62 SER HB3 1 99 LEU MD2 . . 5.890 4.551 3.042 5.277 . 0 0 "[ . 1 . 2]" 1
726 1 63 LEU H 1 63 LEU HB2 . . 3.800 2.422 2.376 2.463 . 0 0 "[ . 1 . 2]" 1
727 1 63 LEU H 1 63 LEU MD1 . . 5.310 3.782 3.676 3.920 . 0 0 "[ . 1 . 2]" 1
728 1 63 LEU H 1 63 LEU MD2 . . 3.760 3.638 3.481 3.762 0.002 6 0 "[ . 1 . 2]" 1
729 1 63 LEU H 1 63 LEU HG . . 3.680 2.683 2.550 2.852 . 0 0 "[ . 1 . 2]" 1
730 1 63 LEU H 1 64 ASN H . . 4.880 4.490 4.344 4.591 . 0 0 "[ . 1 . 2]" 1
731 1 63 LEU HA 1 63 LEU MD1 . . 4.650 3.888 3.848 3.916 . 0 0 "[ . 1 . 2]" 1
732 1 63 LEU HA 1 63 LEU MD2 . . 3.740 2.130 2.070 2.231 . 0 0 "[ . 1 . 2]" 1
733 1 63 LEU HA 1 64 ASN H . . 3.370 2.421 2.207 2.685 . 0 0 "[ . 1 . 2]" 1
734 1 63 LEU HB2 1 64 ASN H . . 4.400 3.479 2.990 3.833 . 0 0 "[ . 1 . 2]" 1
735 1 63 LEU HB3 1 64 ASN H . . 4.420 2.276 1.831 2.708 . 0 0 "[ . 1 . 2]" 1
736 1 63 LEU HB3 1 67 GLU H . . 4.740 4.188 4.004 4.368 . 0 0 "[ . 1 . 2]" 1
737 1 63 LEU HB3 1 68 LEU H . . 4.660 3.717 3.488 3.941 . 0 0 "[ . 1 . 2]" 1
738 1 63 LEU HB3 1 68 LEU MD2 . . 3.880 2.385 2.238 2.514 . 0 0 "[ . 1 . 2]" 1
739 1 63 LEU MD1 1 67 GLU HB3 . . 4.980 2.684 2.390 3.116 . 0 0 "[ . 1 . 2]" 1
740 1 63 LEU MD1 1 68 LEU H . . 4.350 4.025 3.822 4.209 . 0 0 "[ . 1 . 2]" 1
741 1 63 LEU MD1 1 68 LEU HA . . 4.320 3.095 2.911 3.414 . 0 0 "[ . 1 . 2]" 1
742 1 63 LEU MD1 1 68 LEU MD2 . . 3.700 2.369 2.125 2.632 . 0 0 "[ . 1 . 2]" 1
743 1 63 LEU MD1 1 71 THR H . . 4.740 4.374 4.110 4.625 . 0 0 "[ . 1 . 2]" 1
744 1 63 LEU MD1 1 71 THR HB . . 5.150 4.286 4.016 4.460 . 0 0 "[ . 1 . 2]" 1
745 1 63 LEU MD1 1 89 SER HA . . 5.230 4.089 3.146 4.522 . 0 0 "[ . 1 . 2]" 1
746 1 63 LEU MD2 1 64 ASN H . . 3.770 3.362 3.148 3.519 . 0 0 "[ . 1 . 2]" 1
747 1 63 LEU MD2 1 67 GLU H . . 5.280 4.954 4.750 5.094 . 0 0 "[ . 1 . 2]" 1
748 1 63 LEU MD2 1 67 GLU HA . . 5.040 4.661 4.301 5.066 0.026 12 0 "[ . 1 . 2]" 1
749 1 63 LEU MD2 1 67 GLU HB2 . . 5.200 2.888 2.690 3.043 . 0 0 "[ . 1 . 2]" 1
750 1 63 LEU MD2 1 67 GLU HB3 . . 4.030 2.406 2.020 2.857 . 0 0 "[ . 1 . 2]" 1
751 1 63 LEU MD2 1 68 LEU MD2 . . 3.790 3.816 3.750 3.866 0.076 15 0 "[ . 1 . 2]" 1
752 1 63 LEU MD2 1 71 THR MG . . 3.650 3.693 3.532 3.746 0.096 8 0 "[ . 1 . 2]" 1
753 1 63 LEU MD2 1 89 SER QB . . 4.530 2.721 2.053 4.064 . 0 0 "[ . 1 . 2]" 1
754 1 63 LEU HG 1 68 LEU MD2 . . 5.270 3.796 3.630 3.916 . 0 0 "[ . 1 . 2]" 1
755 1 63 LEU HG 1 93 ILE MD . . 4.790 2.340 2.026 2.936 . 0 0 "[ . 1 . 2]" 1
756 1 64 ASN H 1 64 ASN HD21 . . 5.300 4.062 2.117 4.638 . 0 0 "[ . 1 . 2]" 1
757 1 64 ASN H 1 64 ASN QD . . 4.570 3.625 2.105 4.045 . 0 0 "[ . 1 . 2]" 1
758 1 64 ASN H 1 64 ASN HD22 . . 5.300 4.174 3.745 4.557 . 0 0 "[ . 1 . 2]" 1
759 1 64 ASN H 1 65 ASP H . . 4.790 4.469 4.365 4.566 . 0 0 "[ . 1 . 2]" 1
760 1 64 ASN H 1 67 GLU H . . 4.570 3.487 3.193 3.766 . 0 0 "[ . 1 . 2]" 1
761 1 64 ASN H 1 67 GLU HB2 . . 3.790 2.396 1.740 2.765 . 0 0 "[ . 1 . 2]" 1
762 1 64 ASN H 1 67 GLU HB3 . . 4.320 3.912 3.248 4.326 0.006 12 0 "[ . 1 . 2]" 1
763 1 64 ASN H 1 67 GLU QG . . 4.580 2.941 2.340 3.916 . 0 0 "[ . 1 . 2]" 1
764 1 64 ASN H 1 68 LEU H . . 4.980 4.189 3.659 4.618 . 0 0 "[ . 1 . 2]" 1
765 1 64 ASN H 1 68 LEU MD1 . . 5.120 5.096 4.617 5.205 0.085 14 0 "[ . 1 . 2]" 1
766 1 64 ASN HA 1 65 ASP H . . 3.520 2.414 2.326 2.598 . 0 0 "[ . 1 . 2]" 1
767 1 64 ASN HA 1 66 GLU H . . 5.110 4.238 4.101 4.559 . 0 0 "[ . 1 . 2]" 1
768 1 64 ASN QB 1 66 GLU H . . 4.240 2.858 2.557 2.997 . 0 0 "[ . 1 . 2]" 1
769 1 64 ASN QB 1 66 GLU HA . . 5.340 5.429 4.798 5.583 0.243 7 0 "[ . 1 . 2]" 1
770 1 64 ASN HB2 1 65 ASP H . . 3.730 2.457 1.888 3.586 . 0 0 "[ . 1 . 2]" 1
771 1 64 ASN HB2 1 66 GLU H . . 4.900 2.918 2.842 3.055 . 0 0 "[ . 1 . 2]" 1
772 1 64 ASN HB3 1 65 ASP H . . 3.730 3.538 2.016 3.755 0.025 3 0 "[ . 1 . 2]" 1
773 1 64 ASN HB3 1 66 GLU H . . 4.900 4.340 2.829 4.577 . 0 0 "[ . 1 . 2]" 1
774 1 64 ASN QD 1 65 ASP H . . 4.740 3.808 2.646 4.784 0.044 17 0 "[ . 1 . 2]" 1
775 1 64 ASN QD 1 66 GLU QB . . 5.200 2.272 1.670 5.200 0.000 15 0 "[ . 1 . 2]" 1
776 1 64 ASN QD 1 67 GLU H . . 5.110 2.942 2.364 4.634 . 0 0 "[ . 1 . 2]" 1
777 1 64 ASN QD 1 67 GLU HB2 . . 4.510 3.975 3.644 4.448 . 0 0 "[ . 1 . 2]" 1
778 1 64 ASN QD 1 67 GLU QG . . 4.320 2.540 1.976 3.525 . 0 0 "[ . 1 . 2]" 1
779 1 64 ASN HD21 1 67 GLU HB2 . . 5.150 4.733 3.743 5.256 0.106 20 0 "[ . 1 . 2]" 1
780 1 64 ASN HD21 1 67 GLU QG . . 5.000 3.662 3.322 4.579 . 0 0 "[ . 1 . 2]" 1
781 1 64 ASN HD22 1 67 GLU HB2 . . 5.150 4.383 3.877 5.277 0.127 1 0 "[ . 1 . 2]" 1
782 1 64 ASN HD22 1 67 GLU QG . . 5.000 2.688 1.991 4.853 . 0 0 "[ . 1 . 2]" 1
783 1 65 ASP H 1 65 ASP QB . . 3.410 2.511 2.241 2.672 . 0 0 "[ . 1 . 2]" 1
784 1 65 ASP H 1 66 GLU H . . 3.770 2.742 2.660 2.832 . 0 0 "[ . 1 . 2]" 1
785 1 65 ASP H 1 68 LEU MD2 . . 5.000 4.583 4.437 4.795 . 0 0 "[ . 1 . 2]" 1
786 1 65 ASP HA 1 68 LEU H . . 4.270 3.373 3.001 3.922 . 0 0 "[ . 1 . 2]" 1
787 1 65 ASP HA 1 68 LEU HB2 . . 5.230 2.830 2.306 3.603 . 0 0 "[ . 1 . 2]" 1
788 1 65 ASP HA 1 68 LEU HB3 . . 5.020 4.061 3.653 4.920 . 0 0 "[ . 1 . 2]" 1
789 1 65 ASP HA 1 68 LEU MD2 . . 4.270 3.605 3.387 4.099 . 0 0 "[ . 1 . 2]" 1
790 1 65 ASP HA 1 69 VAL H . . 4.510 4.234 3.781 4.536 0.026 11 0 "[ . 1 . 2]" 1
791 1 65 ASP QB 1 66 GLU H . . 3.570 3.211 2.263 3.639 0.069 18 0 "[ . 1 . 2]" 1
792 1 66 GLU H 1 66 GLU QB . . 3.420 2.392 2.095 2.525 . 0 0 "[ . 1 . 2]" 1
793 1 66 GLU H 1 66 GLU QG . . 3.660 2.794 2.167 3.872 0.212 18 0 "[ . 1 . 2]" 1
794 1 66 GLU H 1 67 GLU H . . 3.410 2.495 2.364 2.619 . 0 0 "[ . 1 . 2]" 1
795 1 66 GLU H 1 68 LEU H . . 4.420 3.689 3.531 3.858 . 0 0 "[ . 1 . 2]" 1
796 1 66 GLU H 1 68 LEU MD2 . . 4.890 5.071 5.008 5.122 0.232 3 0 "[ . 1 . 2]" 1
797 1 66 GLU H 1 69 VAL QG . . 5.020 4.509 4.289 4.648 . 0 0 "[ . 1 . 2]" 1
798 1 66 GLU HA 1 69 VAL H . . 3.930 3.637 3.283 3.946 0.016 12 0 "[ . 1 . 2]" 1
799 1 66 GLU QB 1 67 GLU H . . 3.820 2.580 2.253 2.966 . 0 0 "[ . 1 . 2]" 1
800 1 67 GLU H 1 67 GLU HB2 . . 3.420 2.383 2.184 2.521 . 0 0 "[ . 1 . 2]" 1
801 1 67 GLU H 1 67 GLU QG . . 3.730 2.431 2.195 3.336 . 0 0 "[ . 1 . 2]" 1
802 1 67 GLU H 1 68 LEU H . . 3.770 2.458 2.332 2.628 . 0 0 "[ . 1 . 2]" 1
803 1 67 GLU HA 1 70 SER H . . 4.150 3.260 2.979 3.590 . 0 0 "[ . 1 . 2]" 1
804 1 67 GLU HA 1 70 SER QB . . 4.320 2.335 2.097 2.574 . 0 0 "[ . 1 . 2]" 1
805 1 67 GLU HB2 1 68 LEU H . . 3.970 2.833 2.556 3.105 . 0 0 "[ . 1 . 2]" 1
806 1 67 GLU HB3 1 70 SER QB . . 4.590 3.891 3.616 4.209 . 0 0 "[ . 1 . 2]" 1
807 1 67 GLU HB3 1 71 THR H . . 5.130 4.553 4.171 5.008 . 0 0 "[ . 1 . 2]" 1
808 1 67 GLU QG 1 68 LEU H . . 4.810 4.175 3.957 4.631 . 0 0 "[ . 1 . 2]" 1
809 1 68 LEU H 1 68 LEU HB2 . . 3.590 2.724 2.651 2.838 . 0 0 "[ . 1 . 2]" 1
810 1 68 LEU H 1 68 LEU HB3 . . 3.710 3.610 3.557 3.667 . 0 0 "[ . 1 . 2]" 1
811 1 68 LEU H 1 68 LEU MD1 . . 4.040 3.714 3.614 3.825 . 0 0 "[ . 1 . 2]" 1
812 1 68 LEU H 1 68 LEU MD2 . . 5.280 2.613 2.395 2.796 . 0 0 "[ . 1 . 2]" 1
813 1 68 LEU H 1 68 LEU HG . . 3.830 2.121 1.990 2.254 . 0 0 "[ . 1 . 2]" 1
814 1 68 LEU H 1 69 VAL H . . 3.890 2.759 2.598 2.850 . 0 0 "[ . 1 . 2]" 1
815 1 68 LEU H 1 70 SER H . . 5.020 3.898 3.740 4.062 . 0 0 "[ . 1 . 2]" 1
816 1 68 LEU H 1 71 THR H . . 5.300 4.773 4.648 4.912 . 0 0 "[ . 1 . 2]" 1
817 1 68 LEU HA 1 68 LEU MD1 . . 3.980 3.837 3.809 3.858 . 0 0 "[ . 1 . 2]" 1
818 1 68 LEU HA 1 68 LEU MD2 . . 4.450 2.176 2.096 2.318 . 0 0 "[ . 1 . 2]" 1
819 1 68 LEU HA 1 71 THR H . . 5.500 3.630 3.429 3.960 . 0 0 "[ . 1 . 2]" 1
820 1 68 LEU HB2 1 69 VAL H . . 5.320 2.366 2.147 2.559 . 0 0 "[ . 1 . 2]" 1
821 1 68 LEU HB3 1 69 VAL H . . 4.770 3.620 3.472 3.817 . 0 0 "[ . 1 . 2]" 1
822 1 69 VAL H 1 69 VAL HB . . 3.440 2.441 2.264 2.586 . 0 0 "[ . 1 . 2]" 1
823 1 69 VAL H 1 69 VAL MG1 . . 3.570 3.019 2.099 3.693 0.123 2 0 "[ . 1 . 2]" 1
824 1 69 VAL H 1 69 VAL QG . . 3.050 2.059 1.821 2.254 . 0 0 "[ . 1 . 2]" 1
825 1 69 VAL H 1 69 VAL MG2 . . 3.570 2.734 1.825 3.690 0.120 1 0 "[ . 1 . 2]" 1
826 1 69 VAL H 1 70 SER H . . 3.580 2.549 2.389 2.780 . 0 0 "[ . 1 . 2]" 1
827 1 69 VAL H 1 71 THR H . . 4.770 4.428 4.266 4.612 . 0 0 "[ . 1 . 2]" 1
828 1 69 VAL HA 1 72 ALA H . . 4.530 3.631 3.364 4.172 . 0 0 "[ . 1 . 2]" 1
829 1 69 VAL HA 1 72 ALA MB . . 4.840 2.442 2.101 3.006 . 0 0 "[ . 1 . 2]" 1
830 1 69 VAL HA 1 73 ASP H . . 4.770 3.786 3.382 4.063 . 0 0 "[ . 1 . 2]" 1
831 1 69 VAL HB 1 70 SER H . . 3.590 3.138 2.339 3.758 0.168 6 0 "[ . 1 . 2]" 1
832 1 69 VAL QG 1 70 SER H . . 3.580 2.785 2.110 3.345 . 0 0 "[ . 1 . 2]" 1
833 1 69 VAL QG 1 72 ALA H . . 5.280 4.500 4.348 4.801 . 0 0 "[ . 1 . 2]" 1
834 1 69 VAL QG 1 72 ALA MB . . 4.660 3.335 3.003 3.845 . 0 0 "[ . 1 . 2]" 1
835 1 69 VAL QG 1 73 ASP H . . 4.050 3.765 3.477 3.999 . 0 0 "[ . 1 . 2]" 1
836 1 69 VAL MG1 1 70 SER H . . 4.200 2.957 2.123 3.646 . 0 0 "[ . 1 . 2]" 1
837 1 69 VAL MG2 1 70 SER H . . 4.200 3.791 3.602 3.916 . 0 0 "[ . 1 . 2]" 1
838 1 70 SER H 1 70 SER QB . . 3.400 2.367 2.248 2.575 . 0 0 "[ . 1 . 2]" 1
839 1 70 SER H 1 71 THR H . . 3.570 2.841 2.688 2.964 . 0 0 "[ . 1 . 2]" 1
840 1 70 SER H 1 72 ALA H . . 4.570 4.015 3.890 4.202 . 0 0 "[ . 1 . 2]" 1
841 1 70 SER H 1 72 ALA MB . . 4.800 4.575 4.345 4.801 0.001 11 0 "[ . 1 . 2]" 1
842 1 70 SER HA 1 72 ALA H . . 4.450 4.499 4.443 4.536 0.086 1 0 "[ . 1 . 2]" 1
843 1 70 SER HA 1 73 ASP H . . 4.010 3.599 3.181 4.002 . 0 0 "[ . 1 . 2]" 1
844 1 70 SER HA 1 73 ASP HB2 . . 4.660 3.530 2.848 4.275 . 0 0 "[ . 1 . 2]" 1
845 1 70 SER HA 1 73 ASP HB3 . . 4.660 3.113 2.286 4.691 0.031 4 0 "[ . 1 . 2]" 1
846 1 70 SER QB 1 71 THR H . . 3.600 2.523 2.411 2.666 . 0 0 "[ . 1 . 2]" 1
847 1 71 THR H 1 71 THR HB . . 3.530 3.546 3.507 3.561 0.031 17 0 "[ . 1 . 2]" 1
848 1 71 THR H 1 71 THR HG1 . . 3.420 3.183 2.583 3.425 0.005 10 0 "[ . 1 . 2]" 1
849 1 71 THR H 1 71 THR MG . . 3.780 2.384 2.264 2.509 . 0 0 "[ . 1 . 2]" 1
850 1 71 THR H 1 72 ALA H . . 3.550 2.512 2.389 2.588 . 0 0 "[ . 1 . 2]" 1
851 1 71 THR HA 1 74 LYS H . . 4.360 3.476 3.273 3.801 . 0 0 "[ . 1 . 2]" 1
852 1 71 THR HA 1 74 LYS HB2 . . 5.380 2.982 2.585 3.431 . 0 0 "[ . 1 . 2]" 1
853 1 71 THR HA 1 74 LYS HB3 . . 5.380 4.533 4.136 5.132 . 0 0 "[ . 1 . 2]" 1
854 1 71 THR HA 1 74 LYS QD . . 5.060 3.898 2.457 4.921 . 0 0 "[ . 1 . 2]" 1
855 1 71 THR HB 1 72 ALA H . . 3.870 3.498 3.366 3.601 . 0 0 "[ . 1 . 2]" 1
856 1 71 THR HG1 1 72 ALA H . . 4.480 2.769 2.020 3.342 . 0 0 "[ . 1 . 2]" 1
857 1 71 THR HG1 1 86 LEU QD . . 5.080 4.210 3.423 4.857 . 0 0 "[ . 1 . 2]" 1
858 1 71 THR MG 1 72 ALA H . . 3.820 3.932 3.886 3.995 0.175 13 0 "[ . 1 . 2]" 1
859 1 71 THR MG 1 88 GLU H . . 5.080 5.216 5.128 5.271 0.191 18 0 "[ . 1 . 2]" 1
860 1 72 ALA H 1 72 ALA MB . . 3.340 2.297 2.275 2.318 . 0 0 "[ . 1 . 2]" 1
861 1 72 ALA H 1 73 ASP H . . 3.500 2.758 2.595 2.962 . 0 0 "[ . 1 . 2]" 1
862 1 72 ALA H 1 74 LYS H . . 4.160 4.122 3.984 4.191 0.031 20 0 "[ . 1 . 2]" 1
863 1 72 ALA H 1 75 ILE MD . . 5.070 4.190 3.969 4.472 . 0 0 "[ . 1 . 2]" 1
864 1 72 ALA H 1 75 ILE HG13 . . 4.900 4.637 4.347 4.820 . 0 0 "[ . 1 . 2]" 1
865 1 72 ALA HA 1 75 ILE H . . 4.090 3.285 3.104 3.418 . 0 0 "[ . 1 . 2]" 1
866 1 72 ALA HA 1 75 ILE HB . . 4.520 2.727 2.380 3.097 . 0 0 "[ . 1 . 2]" 1
867 1 72 ALA HA 1 75 ILE MD . . 4.050 2.295 2.043 2.763 . 0 0 "[ . 1 . 2]" 1
868 1 72 ALA MB 1 73 ASP H . . 3.510 2.449 2.289 2.643 . 0 0 "[ . 1 . 2]" 1
869 1 72 ALA MB 1 75 ILE H . . 4.370 4.419 4.386 4.454 0.084 16 0 "[ . 1 . 2]" 1
870 1 72 ALA MB 1 75 ILE MD . . 4.600 3.495 3.194 3.753 . 0 0 "[ . 1 . 2]" 1
871 1 72 ALA MB 1 76 LYS QE . . 4.290 3.091 2.072 4.373 0.083 10 0 "[ . 1 . 2]" 1
872 1 73 ASP H 1 73 ASP HB2 . . 3.630 2.508 2.443 2.619 . 0 0 "[ . 1 . 2]" 1
873 1 73 ASP H 1 73 ASP QB . . 3.110 2.267 2.195 2.511 . 0 0 "[ . 1 . 2]" 1
874 1 73 ASP H 1 73 ASP HB3 . . 3.630 2.649 2.443 3.655 0.025 20 0 "[ . 1 . 2]" 1
875 1 73 ASP H 1 74 LYS H . . 3.550 2.701 2.584 2.804 . 0 0 "[ . 1 . 2]" 1
876 1 73 ASP H 1 75 ILE H . . 4.860 4.089 3.944 4.191 . 0 0 "[ . 1 . 2]" 1
877 1 73 ASP H 1 76 LYS QD . . 5.120 4.546 4.081 5.274 0.154 15 0 "[ . 1 . 2]" 1
878 1 73 ASP H 1 76 LYS QE . . 5.380 4.807 3.819 5.430 0.050 17 0 "[ . 1 . 2]" 1
879 1 73 ASP HA 1 75 ILE H . . 4.770 4.293 3.968 4.740 . 0 0 "[ . 1 . 2]" 1
880 1 73 ASP HA 1 76 LYS H . . 4.140 3.445 3.127 3.845 . 0 0 "[ . 1 . 2]" 1
881 1 73 ASP HA 1 76 LYS QB . . 4.180 3.059 2.151 4.276 0.096 10 0 "[ . 1 . 2]" 1
882 1 73 ASP HA 1 76 LYS QD . . 4.980 2.725 2.082 4.101 . 0 0 "[ . 1 . 2]" 1
883 1 73 ASP HA 1 76 LYS QE . . 4.300 3.573 1.917 4.369 0.069 1 0 "[ . 1 . 2]" 1
884 1 73 ASP HA 1 77 ALA H . . 4.610 4.445 4.010 4.644 0.034 7 0 "[ . 1 . 2]" 1
885 1 73 ASP QB 1 74 LYS H . . 3.470 2.641 2.380 2.807 . 0 0 "[ . 1 . 2]" 1
886 1 73 ASP QB 1 76 LYS H . . 5.340 4.996 4.716 5.319 . 0 0 "[ . 1 . 2]" 1
887 1 73 ASP HB2 1 74 LYS H . . 4.020 3.797 2.732 4.007 . 0 0 "[ . 1 . 2]" 1
888 1 73 ASP HB3 1 74 LYS H . . 4.020 2.774 2.406 3.683 . 0 0 "[ . 1 . 2]" 1
889 1 74 LYS H 1 74 LYS QD . . 4.530 3.762 2.570 4.326 . 0 0 "[ . 1 . 2]" 1
890 1 74 LYS H 1 74 LYS QE . . 5.080 3.387 2.000 4.763 . 0 0 "[ . 1 . 2]" 1
891 1 74 LYS H 1 74 LYS QG . . 3.630 2.581 2.177 3.688 0.058 2 0 "[ . 1 . 2]" 1
892 1 74 LYS H 1 75 ILE H . . 3.540 2.564 2.469 2.659 . 0 0 "[ . 1 . 2]" 1
893 1 74 LYS H 1 76 LYS H . . 4.360 4.071 3.906 4.202 . 0 0 "[ . 1 . 2]" 1
894 1 74 LYS HA 1 74 LYS HD2 . . 4.540 4.177 3.621 4.629 0.089 6 0 "[ . 1 . 2]" 1
895 1 74 LYS HA 1 74 LYS HD3 . . 4.540 3.819 2.936 4.631 0.091 14 0 "[ . 1 . 2]" 1
896 1 74 LYS HA 1 74 LYS QE . . 5.080 2.678 1.798 4.454 . 0 0 "[ . 1 . 2]" 1
897 1 74 LYS HA 1 74 LYS QG . . 3.690 2.708 2.260 3.192 . 0 0 "[ . 1 . 2]" 1
898 1 74 LYS HA 1 77 ALA H . . 3.830 3.338 2.931 3.861 0.031 7 0 "[ . 1 . 2]" 1
899 1 74 LYS HA 1 78 ASN H . . 4.450 4.219 3.892 4.469 0.019 8 0 "[ . 1 . 2]" 1
900 1 74 LYS HA 1 85 VAL QG . . 4.200 3.890 3.613 4.276 0.076 10 0 "[ . 1 . 2]" 1
901 1 74 LYS QB 1 74 LYS QD . . 2.820 2.420 2.320 2.497 . 0 0 "[ . 1 . 2]" 1
902 1 74 LYS QB 1 74 LYS QE . . 4.160 2.682 1.813 3.176 . 0 0 "[ . 1 . 2]" 1
903 1 74 LYS QB 1 85 VAL QG . . 4.290 1.900 1.723 2.224 . 0 0 "[ . 1 . 2]" 1
904 1 74 LYS QD 1 85 VAL QG . . 3.780 3.269 2.257 3.796 0.016 19 0 "[ . 1 . 2]" 1
905 1 74 LYS QE 1 74 LYS HG2 . . 3.680 2.787 2.324 3.538 . 0 0 "[ . 1 . 2]" 1
906 1 74 LYS QE 1 74 LYS HG3 . . 3.680 3.125 2.299 3.589 . 0 0 "[ . 1 . 2]" 1
907 1 74 LYS QE 1 75 ILE H . . 4.850 4.696 4.288 4.989 0.139 17 0 "[ . 1 . 2]" 1
908 1 74 LYS QG 1 85 VAL QG . . 3.770 2.845 2.049 3.699 . 0 0 "[ . 1 . 2]" 1
909 1 75 ILE H 1 75 ILE HB . . 3.140 2.560 2.496 2.613 . 0 0 "[ . 1 . 2]" 1
910 1 75 ILE H 1 75 ILE MD . . 4.410 3.593 3.501 3.685 . 0 0 "[ . 1 . 2]" 1
911 1 75 ILE H 1 75 ILE HG12 . . 3.460 3.389 3.277 3.471 0.011 19 0 "[ . 1 . 2]" 1
912 1 75 ILE H 1 75 ILE HG13 . . 4.430 2.122 2.003 2.210 . 0 0 "[ . 1 . 2]" 1
913 1 75 ILE H 1 75 ILE MG . . 4.630 3.784 3.765 3.815 . 0 0 "[ . 1 . 2]" 1
914 1 75 ILE H 1 76 LYS H . . 3.340 2.612 2.472 2.761 . 0 0 "[ . 1 . 2]" 1
915 1 75 ILE H 1 77 ALA H . . 4.790 3.987 3.779 4.381 . 0 0 "[ . 1 . 2]" 1
916 1 75 ILE H 1 78 ASN H . . 5.190 4.611 4.443 4.798 . 0 0 "[ . 1 . 2]" 1
917 1 75 ILE HA 1 75 ILE MD . . 4.310 3.852 3.825 3.877 . 0 0 "[ . 1 . 2]" 1
918 1 75 ILE HA 1 75 ILE HG12 . . 4.110 2.554 2.511 2.610 . 0 0 "[ . 1 . 2]" 1
919 1 75 ILE HA 1 77 ALA H . . 5.120 4.127 3.889 4.315 . 0 0 "[ . 1 . 2]" 1
920 1 75 ILE HA 1 78 ASN H . . 4.450 3.236 2.907 3.489 . 0 0 "[ . 1 . 2]" 1
921 1 75 ILE HA 1 79 ALA HA . . 5.290 3.672 3.150 4.142 . 0 0 "[ . 1 . 2]" 1
922 1 75 ILE HA 1 79 ALA MB . . 5.500 4.962 4.495 5.373 . 0 0 "[ . 1 . 2]" 1
923 1 75 ILE HB 1 75 ILE MD . . 3.430 2.440 2.418 2.484 . 0 0 "[ . 1 . 2]" 1
924 1 75 ILE HB 1 76 LYS H . . 4.590 2.765 2.472 2.894 . 0 0 "[ . 1 . 2]" 1
925 1 75 ILE MD 1 75 ILE MG . . 2.450 1.968 1.871 2.010 . 0 0 "[ . 1 . 2]" 1
926 1 75 ILE MD 1 82 ALA HA . . 4.610 3.546 3.175 4.150 . 0 0 "[ . 1 . 2]" 1
927 1 75 ILE MD 1 82 ALA MB . . 3.780 2.876 2.554 3.668 . 0 0 "[ . 1 . 2]" 1
928 1 75 ILE MD 1 85 VAL H . . 5.500 5.208 4.928 5.510 0.010 3 0 "[ . 1 . 2]" 1
929 1 75 ILE MD 1 86 LEU H . . 5.170 4.342 4.043 4.631 . 0 0 "[ . 1 . 2]" 1
930 1 75 ILE MD 1 86 LEU QD . . 3.430 2.185 1.979 2.655 . 0 0 "[ . 1 . 2]" 1
931 1 75 ILE HG12 1 76 LYS H . . 5.500 5.015 4.837 5.105 . 0 0 "[ . 1 . 2]" 1
932 1 75 ILE HG12 1 82 ALA HA . . 5.040 2.347 1.993 2.987 . 0 0 "[ . 1 . 2]" 1
933 1 75 ILE HG12 1 82 ALA MB . . 4.940 3.052 2.634 3.872 . 0 0 "[ . 1 . 2]" 1
934 1 75 ILE HG12 1 85 VAL HB . . 3.530 2.867 2.439 3.606 0.076 10 0 "[ . 1 . 2]" 1
935 1 75 ILE HG13 1 82 ALA HA . . 4.980 4.011 3.584 4.702 . 0 0 "[ . 1 . 2]" 1
936 1 75 ILE HG13 1 85 VAL QG . . 3.980 2.306 2.051 2.856 . 0 0 "[ . 1 . 2]" 1
937 1 75 ILE MG 1 76 LYS H . . 4.010 3.551 3.444 3.633 . 0 0 "[ . 1 . 2]" 1
938 1 75 ILE MG 1 76 LYS QB . . 4.790 4.664 3.955 4.892 0.102 15 0 "[ . 1 . 2]" 1
939 1 75 ILE MG 1 77 ALA H . . 4.970 4.910 4.744 5.009 0.039 16 0 "[ . 1 . 2]" 1
940 1 75 ILE MG 1 78 ASN H . . 4.750 4.444 4.060 4.651 . 0 0 "[ . 1 . 2]" 1
941 1 75 ILE MG 1 79 ALA H . . 5.290 4.752 4.439 5.210 . 0 0 "[ . 1 . 2]" 1
942 1 75 ILE MG 1 79 ALA HA . . 3.910 2.714 2.264 3.117 . 0 0 "[ . 1 . 2]" 1
943 1 75 ILE MG 1 80 ALA H . . 5.500 5.500 5.212 5.573 0.073 1 0 "[ . 1 . 2]" 1
944 1 75 ILE MG 1 81 GLY H . . 4.980 4.957 4.614 5.102 0.122 13 0 "[ . 1 . 2]" 1
945 1 75 ILE MG 1 82 ALA MB . . 3.660 2.174 1.848 2.889 . 0 0 "[ . 1 . 2]" 1
946 1 76 LYS H 1 76 LYS QB . . 3.100 2.409 2.024 2.836 . 0 0 "[ . 1 . 2]" 1
947 1 76 LYS H 1 76 LYS QD . . 4.700 2.700 2.065 4.157 . 0 0 "[ . 1 . 2]" 1
948 1 76 LYS H 1 76 LYS QE . . 4.780 4.055 3.739 4.308 . 0 0 "[ . 1 . 2]" 1
949 1 76 LYS H 1 76 LYS QG . . 3.800 3.214 1.991 3.847 0.047 5 0 "[ . 1 . 2]" 1
950 1 76 LYS H 1 77 ALA H . . 3.600 2.536 2.398 2.796 . 0 0 "[ . 1 . 2]" 1
951 1 76 LYS H 1 78 ASN H . . 4.690 3.861 3.717 3.950 . 0 0 "[ . 1 . 2]" 1
952 1 76 LYS HA 1 76 LYS QD . . 4.660 3.110 2.170 4.422 . 0 0 "[ . 1 . 2]" 1
953 1 76 LYS HA 1 76 LYS QE . . 5.500 4.461 4.095 5.370 . 0 0 "[ . 1 . 2]" 1
954 1 76 LYS QB 1 77 ALA H . . 3.620 2.917 2.192 3.686 0.066 10 0 "[ . 1 . 2]" 1
955 1 76 LYS QB 1 77 ALA HA . . 5.470 4.045 3.815 4.495 . 0 0 "[ . 1 . 2]" 1
956 1 76 LYS QB 1 78 ASN H . . 4.640 4.614 4.029 4.737 0.097 10 0 "[ . 1 . 2]" 1
957 1 76 LYS QD 1 77 ALA H . . 4.770 3.897 2.616 4.465 . 0 0 "[ . 1 . 2]" 1
958 1 76 LYS QD 1 78 ASN H . . 5.200 5.294 4.665 5.509 0.309 6 0 "[ . 1 . 2]" 1
959 1 76 LYS QE 1 76 LYS QG . . 3.240 2.319 2.072 2.730 . 0 0 "[ . 1 . 2]" 1
960 1 77 ALA H 1 77 ALA MB . . 3.170 2.261 2.228 2.337 . 0 0 "[ . 1 . 2]" 1
961 1 77 ALA H 1 78 ASN H . . 3.330 2.332 2.048 2.560 . 0 0 "[ . 1 . 2]" 1
962 1 77 ALA MB 1 78 ASN H . . 3.520 2.777 2.503 3.134 . 0 0 "[ . 1 . 2]" 1
963 1 78 ASN H 1 78 ASN QB . . 3.700 2.750 2.501 3.343 . 0 0 "[ . 1 . 2]" 1
964 1 78 ASN H 1 79 ALA H . . 4.090 3.481 2.648 3.711 . 0 0 "[ . 1 . 2]" 1
965 1 78 ASN H 1 81 GLY H . . 5.080 5.120 4.989 5.223 0.143 7 0 "[ . 1 . 2]" 1
966 1 78 ASN HA 1 80 ALA H . . 4.760 3.448 3.157 3.711 . 0 0 "[ . 1 . 2]" 1
967 1 78 ASN QB 1 79 ALA H . . 4.450 3.938 3.714 4.043 . 0 0 "[ . 1 . 2]" 1
968 1 78 ASN QB 1 80 ALA H . . 5.050 4.366 3.672 4.967 . 0 0 "[ . 1 . 2]" 1
969 1 78 ASN QB 1 81 GLY H . . 4.650 3.332 2.023 4.046 . 0 0 "[ . 1 . 2]" 1
970 1 78 ASN QD 1 80 ALA MB . . 4.820 3.697 2.654 4.851 0.031 3 0 "[ . 1 . 2]" 1
971 1 78 ASN QD 1 81 GLY H . . 4.150 3.083 2.683 3.958 . 0 0 "[ . 1 . 2]" 1
972 1 78 ASN QD 1 81 GLY QA . . 4.650 2.374 1.824 4.159 . 0 0 "[ . 1 . 2]" 1
973 1 78 ASN HD21 1 81 GLY H . . 4.820 3.593 2.707 4.843 0.023 2 0 "[ . 1 . 2]" 1
974 1 78 ASN HD22 1 81 GLY H . . 4.820 3.600 3.013 4.938 0.118 13 0 "[ . 1 . 2]" 1
975 1 79 ALA H 1 79 ALA MB . . 3.100 2.238 2.211 2.256 . 0 0 "[ . 1 . 2]" 1
976 1 79 ALA H 1 80 ALA H . . 3.580 2.561 2.424 2.823 . 0 0 "[ . 1 . 2]" 1
977 1 79 ALA H 1 81 GLY H . . 4.880 4.003 3.672 4.191 . 0 0 "[ . 1 . 2]" 1
978 1 79 ALA HA 1 81 GLY H . . 4.610 3.830 3.534 4.255 . 0 0 "[ . 1 . 2]" 1
979 1 79 ALA HA 1 82 ALA MB . . 4.520 3.307 2.921 4.245 . 0 0 "[ . 1 . 2]" 1
980 1 79 ALA MB 1 80 ALA H . . 3.540 2.623 2.309 2.797 . 0 0 "[ . 1 . 2]" 1
981 1 80 ALA H 1 80 ALA MB . . 2.780 2.254 2.218 2.304 . 0 0 "[ . 1 . 2]" 1
982 1 80 ALA H 1 81 GLY H . . 3.380 2.617 2.438 2.701 . 0 0 "[ . 1 . 2]" 1
983 1 80 ALA H 1 81 GLY QA . . 4.670 4.454 4.285 4.532 . 0 0 "[ . 1 . 2]" 1
984 1 80 ALA H 1 82 ALA H . . 4.590 4.472 4.213 4.618 0.028 19 0 "[ . 1 . 2]" 1
985 1 80 ALA HA 1 82 ALA H . . 4.610 3.797 3.449 4.155 . 0 0 "[ . 1 . 2]" 1
986 1 80 ALA MB 1 81 GLY H . . 3.610 3.021 2.884 3.266 . 0 0 "[ . 1 . 2]" 1
987 1 81 GLY H 1 82 ALA H . . 3.400 2.725 2.396 2.998 . 0 0 "[ . 1 . 2]" 1
988 1 81 GLY H 1 82 ALA MB . . 4.530 4.228 3.933 4.405 . 0 0 "[ . 1 . 2]" 1
989 1 81 GLY H 1 83 LYS H . . 5.040 4.981 4.687 5.172 0.132 18 0 "[ . 1 . 2]" 1
990 1 81 GLY H 1 84 GLU QB . . 5.500 5.615 5.570 5.670 0.170 9 0 "[ . 1 . 2]" 1
991 1 81 GLY H 1 84 GLU QG . . 4.930 4.346 4.117 4.790 . 0 0 "[ . 1 . 2]" 1
992 1 81 GLY QA 1 83 LYS H . . 4.880 3.333 3.060 3.578 . 0 0 "[ . 1 . 2]" 1
993 1 81 GLY QA 1 85 VAL H . . 5.340 4.192 3.831 5.319 . 0 0 "[ . 1 . 2]" 1
994 1 82 ALA H 1 82 ALA MB . . 3.200 2.276 2.200 2.315 . 0 0 "[ . 1 . 2]" 1
995 1 82 ALA H 1 83 LYS H . . 3.830 2.633 2.487 2.732 . 0 0 "[ . 1 . 2]" 1
996 1 82 ALA H 1 84 GLU QG . . 4.900 4.472 4.167 4.884 . 0 0 "[ . 1 . 2]" 1
997 1 82 ALA HA 1 84 GLU QG . . 4.300 4.221 3.339 4.346 0.046 12 0 "[ . 1 . 2]" 1
998 1 82 ALA HA 1 85 VAL H . . 4.010 3.567 3.310 3.746 . 0 0 "[ . 1 . 2]" 1
999 1 82 ALA HA 1 85 VAL HB . . 4.000 3.280 2.731 3.681 . 0 0 "[ . 1 . 2]" 1
1000 1 82 ALA HA 1 85 VAL QG . . 4.020 2.849 2.372 3.317 . 0 0 "[ . 1 . 2]" 1
1001 1 82 ALA HA 1 86 LEU H . . 4.460 4.296 3.997 4.496 0.036 1 0 "[ . 1 . 2]" 1
1002 1 82 ALA MB 1 83 LYS H . . 3.720 2.580 2.432 2.771 . 0 0 "[ . 1 . 2]" 1
1003 1 82 ALA MB 1 84 GLU H . . 4.670 4.470 4.395 4.560 . 0 0 "[ . 1 . 2]" 1
1004 1 82 ALA MB 1 85 VAL HB . . 5.050 4.332 3.876 5.121 0.071 10 0 "[ . 1 . 2]" 1
1005 1 82 ALA MB 1 86 LEU H . . 5.500 4.562 4.251 4.838 . 0 0 "[ . 1 . 2]" 1
1006 1 82 ALA MB 1 86 LEU QD . . 4.960 2.861 2.451 3.256 . 0 0 "[ . 1 . 2]" 1
1007 1 83 LYS H 1 83 LYS HB2 . . 3.540 2.319 2.176 2.454 . 0 0 "[ . 1 . 2]" 1
1008 1 83 LYS H 1 83 LYS HB3 . . 3.470 2.724 2.477 3.549 0.079 19 0 "[ . 1 . 2]" 1
1009 1 83 LYS H 1 83 LYS HD2 . . 5.500 4.944 4.615 5.694 0.194 15 0 "[ . 1 . 2]" 1
1010 1 83 LYS H 1 83 LYS HD3 . . 5.500 4.698 4.033 4.965 . 0 0 "[ . 1 . 2]" 1
1011 1 83 LYS H 1 83 LYS QG . . 4.430 3.744 2.590 3.978 . 0 0 "[ . 1 . 2]" 1
1012 1 83 LYS H 1 84 GLU H . . 3.590 2.620 2.528 2.738 . 0 0 "[ . 1 . 2]" 1
1013 1 83 LYS H 1 84 GLU QB . . 4.580 4.610 4.588 4.632 0.052 11 0 "[ . 1 . 2]" 1
1014 1 83 LYS H 1 84 GLU QG . . 5.050 4.408 4.191 4.632 . 0 0 "[ . 1 . 2]" 1
1015 1 83 LYS H 1 85 VAL H . . 4.900 4.133 4.019 4.280 . 0 0 "[ . 1 . 2]" 1
1016 1 83 LYS H 1 86 LEU HB2 . . 4.960 4.969 4.813 5.046 0.086 5 0 "[ . 1 . 2]" 1
1017 1 83 LYS H 1 86 LEU QD . . 4.450 4.131 3.767 4.395 . 0 0 "[ . 1 . 2]" 1
1018 1 83 LYS HA 1 83 LYS HD2 . . 5.330 4.415 4.217 4.742 . 0 0 "[ . 1 . 2]" 1
1019 1 83 LYS HA 1 83 LYS QD . . 4.510 3.987 3.912 4.152 . 0 0 "[ . 1 . 2]" 1
1020 1 83 LYS HA 1 83 LYS HD3 . . 5.330 4.579 4.211 4.668 . 0 0 "[ . 1 . 2]" 1
1021 1 83 LYS HA 1 83 LYS QE . . 5.500 4.538 3.933 5.120 . 0 0 "[ . 1 . 2]" 1
1022 1 83 LYS HA 1 86 LEU H . . 4.600 3.385 3.164 3.623 . 0 0 "[ . 1 . 2]" 1
1023 1 83 LYS HA 1 86 LEU HB2 . . 5.290 2.487 2.324 2.653 . 0 0 "[ . 1 . 2]" 1
1024 1 83 LYS HA 1 86 LEU QD . . 4.800 2.816 2.456 3.302 . 0 0 "[ . 1 . 2]" 1
1025 1 83 LYS HA 1 87 LYS H . . 4.830 3.822 3.443 4.085 . 0 0 "[ . 1 . 2]" 1
1026 1 83 LYS HA 1 107 PHE QD . . 5.120 3.737 3.195 4.067 . 0 0 "[ . 1 . 2]" 1
1027 1 83 LYS HB2 1 83 LYS QE . . 4.830 3.649 2.708 4.133 . 0 0 "[ . 1 . 2]" 1
1028 1 83 LYS HB2 1 84 GLU H . . 4.260 3.633 2.917 3.889 . 0 0 "[ . 1 . 2]" 1
1029 1 83 LYS HB3 1 83 LYS QD . . 3.330 2.614 2.419 3.009 . 0 0 "[ . 1 . 2]" 1
1030 1 83 LYS HB3 1 83 LYS QE . . 4.330 3.425 1.970 4.297 . 0 0 "[ . 1 . 2]" 1
1031 1 83 LYS HB3 1 84 GLU H . . 4.000 2.651 2.355 3.596 . 0 0 "[ . 1 . 2]" 1
1032 1 83 LYS HB3 1 85 VAL H . . 5.140 4.795 4.561 5.204 0.064 18 0 "[ . 1 . 2]" 1
1033 1 83 LYS HB3 1 87 LYS H . . 4.870 4.949 4.280 5.070 0.200 13 0 "[ . 1 . 2]" 1
1034 1 83 LYS QD 1 107 PHE QE . . 4.220 3.991 3.651 4.243 0.023 4 0 "[ . 1 . 2]" 1
1035 1 83 LYS QE 1 106 TYR QE . . 4.040 2.869 2.172 4.116 0.076 9 0 "[ . 1 . 2]" 1
1036 1 83 LYS QE 1 107 PHE QD . . 5.500 3.950 3.183 5.139 . 0 0 "[ . 1 . 2]" 1
1037 1 83 LYS QG 1 84 GLU H . . 4.910 3.973 3.797 4.380 . 0 0 "[ . 1 . 2]" 1
1038 1 83 LYS QG 1 107 PHE QD . . 5.340 2.866 2.590 3.611 . 0 0 "[ . 1 . 2]" 1
1039 1 83 LYS QG 1 107 PHE QE . . 4.720 2.057 1.936 2.237 . 0 0 "[ . 1 . 2]" 1
1040 1 84 GLU H 1 84 GLU QB . . 3.370 2.328 2.216 2.425 . 0 0 "[ . 1 . 2]" 1
1041 1 84 GLU H 1 84 GLU QG . . 3.720 2.502 2.335 2.648 . 0 0 "[ . 1 . 2]" 1
1042 1 84 GLU H 1 85 VAL H . . 3.640 2.535 2.380 2.690 . 0 0 "[ . 1 . 2]" 1
1043 1 84 GLU H 1 86 LEU H . . 5.020 4.126 3.842 4.336 . 0 0 "[ . 1 . 2]" 1
1044 1 84 GLU HA 1 87 LYS H . . 4.220 3.398 2.957 3.815 . 0 0 "[ . 1 . 2]" 1
1045 1 84 GLU QB 1 85 VAL H . . 4.520 3.512 3.407 3.606 . 0 0 "[ . 1 . 2]" 1
1046 1 84 GLU QB 1 85 VAL QG . . 4.770 4.058 3.721 4.775 0.005 10 0 "[ . 1 . 2]" 1
1047 1 84 GLU QG 1 85 VAL H . . 4.480 2.353 2.231 2.518 . 0 0 "[ . 1 . 2]" 1
1048 1 84 GLU QG 1 86 LEU H . . 4.700 4.632 4.325 4.796 0.096 14 0 "[ . 1 . 2]" 1
1049 1 85 VAL H 1 85 VAL HB . . 3.330 2.560 2.438 2.642 . 0 0 "[ . 1 . 2]" 1
1050 1 85 VAL H 1 85 VAL MG1 . . 4.720 3.695 2.454 3.803 . 0 0 "[ . 1 . 2]" 1
1051 1 85 VAL H 1 85 VAL QG . . 3.240 2.091 1.947 2.423 . 0 0 "[ . 1 . 2]" 1
1052 1 85 VAL H 1 85 VAL MG2 . . 4.720 2.166 1.954 3.738 . 0 0 "[ . 1 . 2]" 1
1053 1 85 VAL H 1 86 LEU H . . 3.790 2.550 2.385 2.723 . 0 0 "[ . 1 . 2]" 1
1054 1 85 VAL H 1 87 LYS H . . 4.830 3.949 3.855 4.049 . 0 0 "[ . 1 . 2]" 1
1055 1 85 VAL HA 1 85 VAL MG1 . . 3.670 2.403 2.267 3.233 . 0 0 "[ . 1 . 2]" 1
1056 1 85 VAL HA 1 85 VAL MG2 . . 3.670 2.428 2.258 2.501 . 0 0 "[ . 1 . 2]" 1
1057 1 85 VAL HA 1 88 GLU H . . 4.020 3.355 3.088 3.673 . 0 0 "[ . 1 . 2]" 1
1058 1 85 VAL HA 1 88 GLU QB . . 4.630 2.717 2.149 3.277 . 0 0 "[ . 1 . 2]" 1
1059 1 85 VAL HB 1 86 LEU H . . 3.730 2.499 2.233 3.751 0.021 10 0 "[ . 1 . 2]" 1
1060 1 85 VAL QG 1 86 LEU H . . 3.490 3.097 2.279 3.302 . 0 0 "[ . 1 . 2]" 1
1061 1 85 VAL QG 1 88 GLU QB . . 5.180 3.341 2.952 3.650 . 0 0 "[ . 1 . 2]" 1
1062 1 85 VAL QG 1 88 GLU QG . . 4.420 4.131 3.532 4.544 0.124 3 0 "[ . 1 . 2]" 1
1063 1 85 VAL MG1 1 86 LEU H . . 4.640 3.354 2.292 3.595 . 0 0 "[ . 1 . 2]" 1
1064 1 85 VAL MG2 1 86 LEU H . . 4.640 3.696 3.486 3.997 . 0 0 "[ . 1 . 2]" 1
1065 1 86 LEU H 1 86 LEU HB2 . . 3.850 2.333 2.184 2.499 . 0 0 "[ . 1 . 2]" 1
1066 1 86 LEU H 1 86 LEU MD1 . . 4.750 3.038 2.045 3.743 . 0 0 "[ . 1 . 2]" 1
1067 1 86 LEU H 1 86 LEU QD . . 3.710 2.366 1.991 3.069 . 0 0 "[ . 1 . 2]" 1
1068 1 86 LEU H 1 86 LEU MD2 . . 4.750 3.081 2.002 3.822 . 0 0 "[ . 1 . 2]" 1
1069 1 86 LEU H 1 86 LEU HG . . 3.710 3.386 2.235 3.897 0.187 19 0 "[ . 1 . 2]" 1
1070 1 86 LEU H 1 87 LYS H . . 3.790 2.771 2.623 2.878 . 0 0 "[ . 1 . 2]" 1
1071 1 86 LEU H 1 88 GLU H . . 4.940 4.010 3.716 4.241 . 0 0 "[ . 1 . 2]" 1
1072 1 86 LEU HA 1 86 LEU MD1 . . 4.290 2.748 1.983 3.837 . 0 0 "[ . 1 . 2]" 1
1073 1 86 LEU HA 1 86 LEU QD . . 3.490 2.162 1.927 2.588 . 0 0 "[ . 1 . 2]" 1
1074 1 86 LEU HA 1 86 LEU MD2 . . 4.290 2.940 1.932 3.838 . 0 0 "[ . 1 . 2]" 1
1075 1 86 LEU HA 1 89 SER H . . 3.460 3.302 3.042 3.498 0.038 5 0 "[ . 1 . 2]" 1
1076 1 86 LEU HA 1 90 ALA H . . 3.710 3.748 3.700 3.784 0.074 11 0 "[ . 1 . 2]" 1
1077 1 86 LEU HB2 1 87 LYS H . . 3.770 2.808 2.624 3.082 . 0 0 "[ . 1 . 2]" 1
1078 1 86 LEU HB2 1 107 PHE QE . . 4.200 2.830 2.616 3.046 . 0 0 "[ . 1 . 2]" 1
1079 1 86 LEU HB3 1 86 LEU MD1 . . 3.460 2.709 2.320 3.235 . 0 0 "[ . 1 . 2]" 1
1080 1 86 LEU HB3 1 86 LEU QD . . 2.390 2.248 2.104 2.352 . 0 0 "[ . 1 . 2]" 1
1081 1 86 LEU HB3 1 86 LEU MD2 . . 3.460 2.624 2.309 3.238 . 0 0 "[ . 1 . 2]" 1
1082 1 86 LEU HB3 1 87 LYS H . . 4.270 3.548 3.383 3.756 . 0 0 "[ . 1 . 2]" 1
1083 1 86 LEU HB3 1 107 PHE QE . . 4.360 3.344 3.125 3.535 . 0 0 "[ . 1 . 2]" 1
1084 1 86 LEU QD 1 87 LYS H . . 4.160 3.996 3.854 4.182 0.022 8 0 "[ . 1 . 2]" 1
1085 1 86 LEU QD 1 88 GLU H . . 4.870 4.914 4.767 4.995 0.125 10 0 "[ . 1 . 2]" 1
1086 1 86 LEU QD 1 107 PHE QD . . 4.040 3.914 3.732 4.114 0.074 15 0 "[ . 1 . 2]" 1
1087 1 86 LEU QD 1 107 PHE QE . . 3.920 2.958 2.436 3.609 . 0 0 "[ . 1 . 2]" 1
1088 1 86 LEU MD1 1 87 LYS H . . 5.360 4.511 4.106 4.862 . 0 0 "[ . 1 . 2]" 1
1089 1 86 LEU MD1 1 107 PHE QD . . 5.500 4.571 3.872 5.339 . 0 0 "[ . 1 . 2]" 1
1090 1 86 LEU MD2 1 87 LYS H . . 5.360 4.539 4.151 4.935 . 0 0 "[ . 1 . 2]" 1
1091 1 86 LEU MD2 1 107 PHE QD . . 5.500 4.548 3.864 5.060 . 0 0 "[ . 1 . 2]" 1
1092 1 87 LYS H 1 87 LYS QD . . 4.290 4.157 3.786 4.312 0.022 14 0 "[ . 1 . 2]" 1
1093 1 87 LYS H 1 87 LYS HE2 . . 5.500 4.487 3.902 5.554 0.054 13 0 "[ . 1 . 2]" 1
1094 1 87 LYS H 1 87 LYS QE . . 4.700 4.041 3.595 4.742 0.042 3 0 "[ . 1 . 2]" 1
1095 1 87 LYS H 1 87 LYS HE3 . . 5.500 4.632 4.041 5.525 0.025 18 0 "[ . 1 . 2]" 1
1096 1 87 LYS H 1 87 LYS HG2 . . 3.390 3.324 2.985 3.437 0.047 18 0 "[ . 1 . 2]" 1
1097 1 87 LYS H 1 87 LYS HG3 . . 5.340 2.296 2.168 2.371 . 0 0 "[ . 1 . 2]" 1
1098 1 87 LYS H 1 88 GLU H . . 3.650 2.727 2.599 2.880 . 0 0 "[ . 1 . 2]" 1
1099 1 87 LYS H 1 107 PHE QB . . 5.340 3.887 3.714 4.138 . 0 0 "[ . 1 . 2]" 1
1100 1 87 LYS H 1 107 PHE QD . . 4.480 3.251 3.086 3.444 . 0 0 "[ . 1 . 2]" 1
1101 1 87 LYS HA 1 87 LYS HD2 . . 5.500 4.418 3.965 4.847 . 0 0 "[ . 1 . 2]" 1
1102 1 87 LYS HA 1 87 LYS QD . . 4.760 4.049 3.742 4.244 . 0 0 "[ . 1 . 2]" 1
1103 1 87 LYS HA 1 87 LYS HD3 . . 5.500 4.750 4.588 4.854 . 0 0 "[ . 1 . 2]" 1
1104 1 87 LYS HA 1 87 LYS HE2 . . 5.500 4.984 4.151 5.739 0.239 13 0 "[ . 1 . 2]" 1
1105 1 87 LYS HA 1 87 LYS QE . . 4.770 4.252 3.702 4.831 0.061 13 0 "[ . 1 . 2]" 1
1106 1 87 LYS HA 1 87 LYS HE3 . . 5.500 4.627 4.140 5.199 . 0 0 "[ . 1 . 2]" 1
1107 1 87 LYS HA 1 90 ALA H . . 3.910 3.460 3.263 3.817 . 0 0 "[ . 1 . 2]" 1
1108 1 87 LYS HA 1 90 ALA MB . . 4.050 2.439 2.280 2.758 . 0 0 "[ . 1 . 2]" 1
1109 1 87 LYS HA 1 107 PHE HB2 . . 5.340 3.639 3.391 4.006 . 0 0 "[ . 1 . 2]" 1
1110 1 87 LYS HA 1 107 PHE QB . . 4.540 2.054 1.862 2.363 . 0 0 "[ . 1 . 2]" 1
1111 1 87 LYS HA 1 107 PHE HB3 . . 5.340 2.065 1.870 2.380 . 0 0 "[ . 1 . 2]" 1
1112 1 87 LYS HA 1 107 PHE QD . . 4.460 3.303 3.002 3.458 . 0 0 "[ . 1 . 2]" 1
1113 1 87 LYS HB2 1 87 LYS HD2 . . 3.650 3.317 3.081 3.709 0.059 3 0 "[ . 1 . 2]" 1
1114 1 87 LYS HB2 1 87 LYS HD3 . . 3.650 3.337 2.471 3.705 0.055 4 0 "[ . 1 . 2]" 1
1115 1 87 LYS HB2 1 87 LYS HE2 . . 4.780 2.943 2.777 3.775 . 0 0 "[ . 1 . 2]" 1
1116 1 87 LYS HB2 1 87 LYS QE . . 4.140 2.307 1.947 2.997 . 0 0 "[ . 1 . 2]" 1
1117 1 87 LYS HB2 1 87 LYS HE3 . . 4.780 2.661 1.973 4.035 . 0 0 "[ . 1 . 2]" 1
1118 1 87 LYS HB2 1 87 LYS HG3 . . 2.750 2.350 2.240 2.386 . 0 0 "[ . 1 . 2]" 1
1119 1 87 LYS HB3 1 87 LYS HD2 . . 4.030 2.822 2.378 3.698 . 0 0 "[ . 1 . 2]" 1
1120 1 87 LYS HB3 1 87 LYS HD3 . . 4.030 3.442 2.915 3.671 . 0 0 "[ . 1 . 2]" 1
1121 1 87 LYS HB3 1 87 LYS HE2 . . 4.220 3.294 1.919 4.002 . 0 0 "[ . 1 . 2]" 1
1122 1 87 LYS HB3 1 87 LYS HE3 . . 4.220 2.805 2.596 3.644 . 0 0 "[ . 1 . 2]" 1
1123 1 87 LYS HB3 1 107 PHE QB . . 5.340 3.878 3.532 4.325 . 0 0 "[ . 1 . 2]" 1
1124 1 87 LYS QE 1 87 LYS HG2 . . 3.710 3.067 2.363 3.507 . 0 0 "[ . 1 . 2]" 1
1125 1 87 LYS HG2 1 90 ALA MB . . 5.300 4.225 3.965 4.656 . 0 0 "[ . 1 . 2]" 1
1126 1 87 LYS HG2 1 107 PHE HA . . 4.980 2.373 1.907 3.174 . 0 0 "[ . 1 . 2]" 1
1127 1 87 LYS HG2 1 107 PHE QD . . 4.310 2.298 2.106 2.579 . 0 0 "[ . 1 . 2]" 1
1128 1 87 LYS HG2 1 107 PHE QE . . 4.470 4.500 4.326 4.530 0.060 18 0 "[ . 1 . 2]" 1
1129 1 87 LYS HG3 1 107 PHE HA . . 4.860 3.894 3.441 4.756 . 0 0 "[ . 1 . 2]" 1
1130 1 87 LYS HG3 1 107 PHE QB . . 5.340 3.719 3.374 4.438 . 0 0 "[ . 1 . 2]" 1
1131 1 87 LYS HG3 1 107 PHE QD . . 4.350 2.502 2.168 3.256 . 0 0 "[ . 1 . 2]" 1
1132 1 88 GLU H 1 88 GLU QB . . 3.140 2.225 2.107 2.419 . 0 0 "[ . 1 . 2]" 1
1133 1 88 GLU H 1 88 GLU QG . . 3.880 3.511 2.367 3.950 0.070 11 0 "[ . 1 . 2]" 1
1134 1 88 GLU H 1 89 SER H . . 3.370 2.462 2.292 2.617 . 0 0 "[ . 1 . 2]" 1
1135 1 88 GLU H 1 90 ALA H . . 4.620 3.905 3.789 4.087 . 0 0 "[ . 1 . 2]" 1
1136 1 88 GLU HA 1 88 GLU QG . . 3.690 2.659 2.435 3.055 . 0 0 "[ . 1 . 2]" 1
1137 1 88 GLU HA 1 91 LYS H . . 4.080 3.739 3.355 4.103 0.023 19 0 "[ . 1 . 2]" 1
1138 1 88 GLU QB 1 89 SER H . . 3.500 2.460 2.285 2.765 . 0 0 "[ . 1 . 2]" 1
1139 1 88 GLU QB 1 90 ALA H . . 4.680 4.664 4.522 4.720 0.040 14 0 "[ . 1 . 2]" 1
1140 1 88 GLU QG 1 89 SER H . . 4.540 3.946 3.233 4.597 0.057 13 0 "[ . 1 . 2]" 1
1141 1 89 SER H 1 90 ALA H . . 3.480 2.627 2.502 2.681 . 0 0 "[ . 1 . 2]" 1
1142 1 90 ALA H 1 90 ALA MB . . 3.350 2.221 2.182 2.266 . 0 0 "[ . 1 . 2]" 1
1143 1 90 ALA H 1 91 LYS H . . 3.780 2.852 2.638 2.982 . 0 0 "[ . 1 . 2]" 1
1144 1 90 ALA H 1 93 ILE MD . . 4.300 4.065 3.770 4.321 0.021 20 0 "[ . 1 . 2]" 1
1145 1 90 ALA H 1 93 ILE HG13 . . 4.960 4.652 4.420 4.865 . 0 0 "[ . 1 . 2]" 1
1146 1 90 ALA H 1 108 VAL QG . . 5.440 4.818 4.430 5.354 . 0 0 "[ . 1 . 2]" 1
1147 1 90 ALA HA 1 93 ILE H . . 4.380 3.484 3.321 3.714 . 0 0 "[ . 1 . 2]" 1
1148 1 90 ALA HA 1 93 ILE HB . . 4.530 2.703 2.481 2.940 . 0 0 "[ . 1 . 2]" 1
1149 1 90 ALA HA 1 93 ILE MD . . 3.950 2.322 2.124 2.509 . 0 0 "[ . 1 . 2]" 1
1150 1 90 ALA HA 1 93 ILE HG12 . . 4.840 4.649 4.402 4.855 0.015 1 0 "[ . 1 . 2]" 1
1151 1 90 ALA HA 1 94 VAL H . . 4.640 4.197 3.962 4.417 . 0 0 "[ . 1 . 2]" 1
1152 1 90 ALA HA 1 104 LEU MD1 . . 5.500 3.208 2.036 4.680 . 0 0 "[ . 1 . 2]" 1
1153 1 90 ALA HA 1 104 LEU QD . . 4.200 2.878 2.030 4.082 . 0 0 "[ . 1 . 2]" 1
1154 1 90 ALA HA 1 104 LEU MD2 . . 5.500 4.078 2.594 4.588 . 0 0 "[ . 1 . 2]" 1
1155 1 90 ALA HA 1 108 VAL QG . . 4.170 3.791 3.371 4.194 0.024 17 0 "[ . 1 . 2]" 1
1156 1 90 ALA MB 1 91 LYS H . . 3.590 2.296 2.201 2.461 . 0 0 "[ . 1 . 2]" 1
1157 1 90 ALA MB 1 92 THR H . . 4.280 4.337 4.290 4.398 0.118 9 0 "[ . 1 . 2]" 1
1158 1 90 ALA MB 1 93 ILE H . . 4.950 4.524 4.401 4.650 . 0 0 "[ . 1 . 2]" 1
1159 1 90 ALA MB 1 93 ILE MD . . 4.530 3.638 3.461 3.809 . 0 0 "[ . 1 . 2]" 1
1160 1 90 ALA MB 1 94 VAL H . . 4.770 4.610 4.447 4.780 0.010 4 0 "[ . 1 . 2]" 1
1161 1 90 ALA MB 1 104 LEU HA . . 5.500 4.895 4.367 5.532 0.032 13 0 "[ . 1 . 2]" 1
1162 1 90 ALA MB 1 104 LEU HB3 . . 4.350 2.794 2.201 3.583 . 0 0 "[ . 1 . 2]" 1
1163 1 90 ALA MB 1 104 LEU MD1 . . 4.360 2.844 1.888 4.003 . 0 0 "[ . 1 . 2]" 1
1164 1 90 ALA MB 1 104 LEU QD . . 3.310 2.557 1.876 3.310 . 0 0 "[ . 1 . 2]" 1
1165 1 90 ALA MB 1 104 LEU MD2 . . 4.360 3.499 1.881 4.037 . 0 0 "[ . 1 . 2]" 1
1166 1 90 ALA MB 1 107 PHE H . . 4.540 4.183 3.913 4.387 . 0 0 "[ . 1 . 2]" 1
1167 1 90 ALA MB 1 107 PHE HB2 . . 4.590 2.397 2.181 2.578 . 0 0 "[ . 1 . 2]" 1
1168 1 90 ALA MB 1 107 PHE HB3 . . 4.590 2.466 2.278 2.694 . 0 0 "[ . 1 . 2]" 1
1169 1 90 ALA MB 1 108 VAL H . . 4.420 3.879 3.354 4.423 0.003 4 0 "[ . 1 . 2]" 1
1170 1 90 ALA MB 1 108 VAL HA . . 5.240 3.879 3.216 4.401 . 0 0 "[ . 1 . 2]" 1
1171 1 90 ALA MB 1 108 VAL HB . . 5.100 3.531 2.428 4.658 . 0 0 "[ . 1 . 2]" 1
1172 1 90 ALA MB 1 108 VAL MG1 . . 3.750 3.006 2.028 3.884 0.134 12 0 "[ . 1 . 2]" 1
1173 1 90 ALA MB 1 108 VAL QG . . 3.280 2.117 1.847 2.601 . 0 0 "[ . 1 . 2]" 1
1174 1 90 ALA MB 1 108 VAL MG2 . . 3.750 2.883 1.850 3.780 0.030 9 0 "[ . 1 . 2]" 1
1175 1 91 LYS H 1 91 LYS HB2 . . 3.570 2.514 2.309 2.746 . 0 0 "[ . 1 . 2]" 1
1176 1 91 LYS H 1 91 LYS HB3 . . 3.570 2.870 2.296 3.613 0.043 20 0 "[ . 1 . 2]" 1
1177 1 91 LYS H 1 91 LYS QG . . 5.110 3.362 2.003 4.046 . 0 0 "[ . 1 . 2]" 1
1178 1 91 LYS H 1 92 THR H . . 3.550 2.651 2.507 2.781 . 0 0 "[ . 1 . 2]" 1
1179 1 91 LYS H 1 108 VAL MG1 . . 5.280 4.500 2.869 4.889 . 0 0 "[ . 1 . 2]" 1
1180 1 91 LYS H 1 108 VAL QG . . 4.150 3.681 2.857 4.175 0.025 16 0 "[ . 1 . 2]" 1
1181 1 91 LYS H 1 108 VAL MG2 . . 5.280 4.183 3.213 5.316 0.036 13 0 "[ . 1 . 2]" 1
1182 1 91 LYS HA 1 91 LYS QD . . 4.370 2.165 2.000 2.838 . 0 0 "[ . 1 . 2]" 1
1183 1 91 LYS HA 1 91 LYS QE . . 5.500 3.464 2.435 4.301 . 0 0 "[ . 1 . 2]" 1
1184 1 91 LYS HA 1 94 VAL H . . 4.150 3.589 3.400 3.715 . 0 0 "[ . 1 . 2]" 1
1185 1 91 LYS HA 1 94 VAL QG . . 3.530 2.761 1.976 3.194 . 0 0 "[ . 1 . 2]" 1
1186 1 91 LYS HA 1 95 ASP H . . 4.390 4.069 3.815 4.316 . 0 0 "[ . 1 . 2]" 1
1187 1 91 LYS HA 1 108 VAL HB . . 5.410 4.380 3.201 5.478 0.068 5 0 "[ . 1 . 2]" 1
1188 1 91 LYS HA 1 108 VAL MG1 . . 4.060 3.347 2.119 4.111 0.051 17 0 "[ . 1 . 2]" 1
1189 1 91 LYS HA 1 108 VAL QG . . 3.470 2.719 2.113 3.245 . 0 0 "[ . 1 . 2]" 1
1190 1 91 LYS HA 1 108 VAL MG2 . . 4.060 3.111 2.808 4.218 0.158 13 0 "[ . 1 . 2]" 1
1191 1 91 LYS QB 1 91 LYS QD . . 3.090 2.602 2.341 2.888 . 0 0 "[ . 1 . 2]" 1
1192 1 91 LYS QB 1 92 THR H . . 3.470 2.563 2.288 2.775 . 0 0 "[ . 1 . 2]" 1
1193 1 91 LYS QB 1 94 VAL QG . . 4.480 4.242 3.597 4.542 0.062 14 0 "[ . 1 . 2]" 1
1194 1 91 LYS HB2 1 92 THR H . . 4.030 3.424 2.315 3.977 . 0 0 "[ . 1 . 2]" 1
1195 1 91 LYS HB3 1 92 THR H . . 4.030 2.971 2.426 3.854 . 0 0 "[ . 1 . 2]" 1
1196 1 91 LYS QD 1 92 THR H . . 4.950 4.674 4.178 4.974 0.024 9 0 "[ . 1 . 2]" 1
1197 1 91 LYS QD 1 94 VAL QG . . 3.550 3.287 2.235 3.709 0.159 20 0 "[ . 1 . 2]" 1
1198 1 91 LYS QE 1 92 THR H . . 5.330 5.224 3.356 5.440 0.110 20 0 "[ . 1 . 2]" 1
1199 1 91 LYS QG 1 92 THR H . . 4.740 3.757 3.373 4.509 . 0 0 "[ . 1 . 2]" 1
1200 1 92 THR H 1 92 THR HB . . 3.360 2.598 2.458 3.516 0.156 9 0 "[ . 1 . 2]" 1
1201 1 92 THR H 1 92 THR MG . . 3.860 3.705 2.436 3.788 . 0 0 "[ . 1 . 2]" 1
1202 1 92 THR H 1 94 VAL H . . 5.080 4.245 4.113 4.376 . 0 0 "[ . 1 . 2]" 1
1203 1 92 THR H 1 94 VAL QG . . 5.110 4.668 4.152 4.999 . 0 0 "[ . 1 . 2]" 1
1204 1 92 THR HA 1 95 ASP H . . 4.060 3.492 3.290 3.852 . 0 0 "[ . 1 . 2]" 1
1205 1 92 THR HA 1 95 ASP HB2 . . 4.690 3.373 2.802 3.944 . 0 0 "[ . 1 . 2]" 1
1206 1 92 THR HA 1 95 ASP HB3 . . 4.690 2.464 2.212 2.880 . 0 0 "[ . 1 . 2]" 1
1207 1 92 THR HB 1 93 ILE H . . 3.960 2.740 2.526 3.839 . 0 0 "[ . 1 . 2]" 1
1208 1 92 THR MG 1 93 ILE H . . 4.560 3.606 3.426 4.198 . 0 0 "[ . 1 . 2]" 1
1209 1 93 ILE H 1 93 ILE HB . . 3.600 2.377 2.321 2.445 . 0 0 "[ . 1 . 2]" 1
1210 1 93 ILE H 1 93 ILE MD . . 4.440 3.572 3.477 3.752 . 0 0 "[ . 1 . 2]" 1
1211 1 93 ILE H 1 93 ILE HG12 . . 3.910 3.478 3.386 3.605 . 0 0 "[ . 1 . 2]" 1
1212 1 93 ILE H 1 93 ILE MG . . 3.710 3.701 3.670 3.716 0.006 19 0 "[ . 1 . 2]" 1
1213 1 93 ILE H 1 94 VAL H . . 3.810 2.672 2.559 2.792 . 0 0 "[ . 1 . 2]" 1
1214 1 93 ILE H 1 94 VAL HB . . 4.840 4.852 4.626 4.911 0.071 2 0 "[ . 1 . 2]" 1
1215 1 93 ILE HA 1 93 ILE MD . . 4.610 3.783 3.753 3.815 . 0 0 "[ . 1 . 2]" 1
1216 1 93 ILE HA 1 95 ASP H . . 5.270 4.348 4.093 4.596 . 0 0 "[ . 1 . 2]" 1
1217 1 93 ILE HA 1 96 SER H . . 4.470 3.592 3.360 3.784 . 0 0 "[ . 1 . 2]" 1
1218 1 93 ILE HA 1 98 LYS QB . . 5.270 3.037 2.617 3.334 . 0 0 "[ . 1 . 2]" 1
1219 1 93 ILE HA 1 98 LYS HD2 . . 4.900 3.373 2.308 5.021 0.121 15 0 "[ . 1 . 2]" 1
1220 1 93 ILE HB 1 94 VAL H . . 3.910 2.463 2.304 2.650 . 0 0 "[ . 1 . 2]" 1
1221 1 93 ILE MD 1 93 ILE MG . . 2.700 1.939 1.806 1.993 . 0 0 "[ . 1 . 2]" 1
1222 1 93 ILE MD 1 94 VAL H . . 5.500 4.485 4.356 4.622 . 0 0 "[ . 1 . 2]" 1
1223 1 93 ILE MD 1 99 LEU QB . . 4.210 3.989 3.780 4.389 0.179 20 0 "[ . 1 . 2]" 1
1224 1 93 ILE HG12 1 93 ILE MG . . 3.430 2.368 2.306 2.436 . 0 0 "[ . 1 . 2]" 1
1225 1 93 ILE HG13 1 94 VAL H . . 5.250 4.259 4.158 4.340 . 0 0 "[ . 1 . 2]" 1
1226 1 93 ILE MG 1 94 VAL H . . 3.800 3.106 2.918 3.340 . 0 0 "[ . 1 . 2]" 1
1227 1 93 ILE MG 1 95 ASP H . . 4.670 4.738 4.703 4.761 0.091 10 0 "[ . 1 . 2]" 1
1228 1 93 ILE MG 1 96 SER H . . 5.170 4.657 4.429 4.878 . 0 0 "[ . 1 . 2]" 1
1229 1 93 ILE MG 1 98 LYS H . . 4.140 3.317 3.153 3.481 . 0 0 "[ . 1 . 2]" 1
1230 1 93 ILE MG 1 98 LYS HA . . 4.590 4.253 4.154 4.361 . 0 0 "[ . 1 . 2]" 1
1231 1 93 ILE MG 1 98 LYS QB . . 3.920 1.816 1.734 1.880 . 0 0 "[ . 1 . 2]" 1
1232 1 93 ILE MG 1 98 LYS QE . . 4.900 4.495 4.222 4.858 . 0 0 "[ . 1 . 2]" 1
1233 1 93 ILE MG 1 98 LYS QG . . 3.880 3.313 2.474 3.708 . 0 0 "[ . 1 . 2]" 1
1234 1 93 ILE MG 1 99 LEU H . . 3.630 2.253 2.117 2.409 . 0 0 "[ . 1 . 2]" 1
1235 1 93 ILE MG 1 99 LEU QB . . 3.870 2.154 1.987 3.356 . 0 0 "[ . 1 . 2]" 1
1236 1 93 ILE MG 1 99 LEU QD . . 3.150 2.210 1.979 2.637 . 0 0 "[ . 1 . 2]" 1
1237 1 94 VAL H 1 94 VAL HB . . 3.450 2.471 2.369 2.548 . 0 0 "[ . 1 . 2]" 1
1238 1 94 VAL H 1 94 VAL MG1 . . 4.460 3.284 2.141 3.783 . 0 0 "[ . 1 . 2]" 1
1239 1 94 VAL H 1 94 VAL QG . . 3.230 2.083 2.006 2.206 . 0 0 "[ . 1 . 2]" 1
1240 1 94 VAL H 1 94 VAL MG2 . . 4.460 2.569 2.014 3.768 . 0 0 "[ . 1 . 2]" 1
1241 1 94 VAL H 1 95 ASP H . . 3.690 2.504 2.371 2.649 . 0 0 "[ . 1 . 2]" 1
1242 1 94 VAL H 1 96 SER H . . 4.960 4.025 3.766 4.282 . 0 0 "[ . 1 . 2]" 1
1243 1 94 VAL H 1 108 VAL MG1 . . 5.500 4.492 4.045 5.050 . 0 0 "[ . 1 . 2]" 1
1244 1 94 VAL H 1 108 VAL MG2 . . 5.500 4.421 3.717 5.405 . 0 0 "[ . 1 . 2]" 1
1245 1 94 VAL HA 1 98 LYS H . . 4.880 3.644 3.308 3.908 . 0 0 "[ . 1 . 2]" 1
1246 1 94 VAL HA 1 99 LEU H . . 3.900 3.005 2.675 3.708 . 0 0 "[ . 1 . 2]" 1
1247 1 94 VAL HB 1 95 ASP H . . 3.670 2.954 2.472 3.757 0.087 5 0 "[ . 1 . 2]" 1
1248 1 94 VAL HB 1 96 SER H . . 5.120 5.080 4.879 5.259 0.139 2 0 "[ . 1 . 2]" 1
1249 1 94 VAL QG 1 95 ASP H . . 3.640 2.919 2.169 3.303 . 0 0 "[ . 1 . 2]" 1
1250 1 94 VAL QG 1 95 ASP HA . . 4.960 3.342 3.079 3.624 . 0 0 "[ . 1 . 2]" 1
1251 1 94 VAL QG 1 96 SER H . . 5.020 4.397 3.890 4.719 . 0 0 "[ . 1 . 2]" 1
1252 1 94 VAL QG 1 97 GLY H . . 4.790 4.095 3.878 4.294 . 0 0 "[ . 1 . 2]" 1
1253 1 94 VAL QG 1 100 PRO HA . . 5.350 2.943 2.480 3.689 . 0 0 "[ . 1 . 2]" 1
1254 1 94 VAL QG 1 101 SER H . . 3.700 2.573 2.342 2.868 . 0 0 "[ . 1 . 2]" 1
1255 1 94 VAL QG 1 101 SER HA . . 3.260 2.295 1.929 2.792 . 0 0 "[ . 1 . 2]" 1
1256 1 94 VAL QG 1 101 SER QB . . 3.610 2.145 1.863 3.197 . 0 0 "[ . 1 . 2]" 1
1257 1 94 VAL QG 1 104 LEU HB2 . . 4.810 3.652 2.870 4.764 . 0 0 "[ . 1 . 2]" 1
1258 1 94 VAL QG 1 108 VAL QG . . 2.760 1.799 1.693 1.994 . 0 0 "[ . 1 . 2]" 1
1259 1 94 VAL MG1 1 95 ASP H . . 4.690 3.121 2.182 3.649 . 0 0 "[ . 1 . 2]" 1
1260 1 94 VAL MG1 1 101 SER H . . 4.830 3.345 2.384 4.865 0.035 5 0 "[ . 1 . 2]" 1
1261 1 94 VAL MG1 1 101 SER HA . . 4.360 3.341 2.730 4.078 . 0 0 "[ . 1 . 2]" 1
1262 1 94 VAL MG1 1 101 SER QB . . 4.360 2.626 1.901 4.276 . 0 0 "[ . 1 . 2]" 1
1263 1 94 VAL MG2 1 95 ASP H . . 4.690 3.786 3.672 3.889 . 0 0 "[ . 1 . 2]" 1
1264 1 94 VAL MG2 1 101 SER H . . 4.830 3.164 2.445 3.639 . 0 0 "[ . 1 . 2]" 1
1265 1 94 VAL MG2 1 101 SER HA . . 4.360 2.342 1.973 2.843 . 0 0 "[ . 1 . 2]" 1
1266 1 94 VAL MG2 1 101 SER QB . . 4.360 2.649 1.910 3.694 . 0 0 "[ . 1 . 2]" 1
1267 1 95 ASP H 1 95 ASP HB2 . . 3.750 2.607 2.454 2.681 . 0 0 "[ . 1 . 2]" 1
1268 1 95 ASP H 1 95 ASP QB . . 3.240 2.281 2.222 2.352 . 0 0 "[ . 1 . 2]" 1
1269 1 95 ASP H 1 95 ASP HB3 . . 3.750 2.522 2.453 2.612 . 0 0 "[ . 1 . 2]" 1
1270 1 95 ASP H 1 96 SER H . . 3.610 2.564 2.456 2.736 . 0 0 "[ . 1 . 2]" 1
1271 1 95 ASP H 1 97 GLY H . . 4.690 3.834 3.679 4.030 . 0 0 "[ . 1 . 2]" 1
1272 1 95 ASP QB 1 96 SER H . . 3.670 2.773 2.503 3.115 . 0 0 "[ . 1 . 2]" 1
1273 1 95 ASP HB2 1 96 SER H . . 4.210 3.994 3.820 4.161 . 0 0 "[ . 1 . 2]" 1
1274 1 95 ASP HB3 1 96 SER H . . 4.210 2.831 2.537 3.217 . 0 0 "[ . 1 . 2]" 1
1275 1 96 SER H 1 96 SER QB . . 3.320 2.456 2.257 2.673 . 0 0 "[ . 1 . 2]" 1
1276 1 96 SER H 1 97 GLY H . . 3.470 2.416 2.194 2.631 . 0 0 "[ . 1 . 2]" 1
1277 1 96 SER QB 1 97 GLY H . . 5.500 3.363 3.161 3.730 . 0 0 "[ . 1 . 2]" 1
1278 1 97 GLY H 1 99 LEU H . . 4.900 4.202 3.961 4.576 . 0 0 "[ . 1 . 2]" 1
1279 1 98 LYS H 1 98 LYS QB . . 3.180 2.346 2.210 2.660 . 0 0 "[ . 1 . 2]" 1
1280 1 98 LYS H 1 98 LYS HD2 . . 4.520 3.940 2.900 4.577 0.057 14 0 "[ . 1 . 2]" 1
1281 1 98 LYS H 1 98 LYS HE2 . . 5.500 5.218 4.238 5.538 0.038 6 0 "[ . 1 . 2]" 1
1282 1 98 LYS H 1 98 LYS HE3 . . 5.500 4.873 4.590 5.484 . 0 0 "[ . 1 . 2]" 1
1283 1 98 LYS H 1 98 LYS QG . . 3.570 2.364 2.019 2.511 . 0 0 "[ . 1 . 2]" 1
1284 1 98 LYS H 1 99 LEU H . . 3.440 2.439 2.305 2.667 . 0 0 "[ . 1 . 2]" 1
1285 1 98 LYS HA 1 98 LYS HD2 . . 4.290 3.942 2.267 4.436 0.146 7 0 "[ . 1 . 2]" 1
1286 1 98 LYS HA 1 98 LYS HD3 . . 4.550 3.784 2.024 4.302 . 0 0 "[ . 1 . 2]" 1
1287 1 98 LYS HA 1 98 LYS HE2 . . 4.970 4.598 2.875 4.905 . 0 0 "[ . 1 . 2]" 1
1288 1 98 LYS HA 1 98 LYS HE3 . . 4.970 4.826 2.660 5.055 0.085 1 0 "[ . 1 . 2]" 1
1289 1 98 LYS QB 1 98 LYS HD2 . . 2.990 2.342 2.214 2.938 . 0 0 "[ . 1 . 2]" 1
1290 1 98 LYS QB 1 98 LYS HD3 . . 3.850 2.547 2.265 3.519 . 0 0 "[ . 1 . 2]" 1
1291 1 98 LYS QB 1 98 LYS HE2 . . 3.960 3.787 2.116 4.058 0.098 14 0 "[ . 1 . 2]" 1
1292 1 98 LYS QB 1 98 LYS QE . . 3.480 3.332 2.088 3.530 0.050 15 0 "[ . 1 . 2]" 1
1293 1 98 LYS QB 1 98 LYS HE3 . . 3.960 3.770 2.130 3.900 . 0 0 "[ . 1 . 2]" 1
1294 1 98 LYS QB 1 99 LEU H . . 3.750 2.418 2.085 2.561 . 0 0 "[ . 1 . 2]" 1
1295 1 98 LYS HD2 1 99 LEU H . . 5.500 4.954 4.615 5.504 0.004 14 0 "[ . 1 . 2]" 1
1296 1 98 LYS HD3 1 98 LYS QG . . 2.540 2.315 2.115 2.361 . 0 0 "[ . 1 . 2]" 1
1297 1 98 LYS HD3 1 99 LEU H . . 5.500 5.392 5.057 5.621 0.121 11 0 "[ . 1 . 2]" 1
1298 1 98 LYS QE 1 98 LYS QG . . 3.140 2.117 2.021 2.775 . 0 0 "[ . 1 . 2]" 1
1299 1 98 LYS QG 1 99 LEU H . . 4.140 3.947 3.402 4.134 . 0 0 "[ . 1 . 2]" 1
1300 1 99 LEU H 1 99 LEU MD1 . . 5.260 4.233 3.020 4.360 . 0 0 "[ . 1 . 2]" 1
1301 1 99 LEU H 1 99 LEU QD . . 3.890 3.646 2.967 3.725 . 0 0 "[ . 1 . 2]" 1
1302 1 99 LEU H 1 99 LEU MD2 . . 5.260 4.022 3.954 4.342 . 0 0 "[ . 1 . 2]" 1
1303 1 99 LEU H 1 100 PRO QD . . 4.580 4.232 4.051 4.352 . 0 0 "[ . 1 . 2]" 1
1304 1 99 LEU HA 1 99 LEU QD . . 3.710 2.106 1.988 3.390 . 0 0 "[ . 1 . 2]" 1
1305 1 99 LEU HA 1 100 PRO QG . . 4.970 3.785 3.722 3.879 . 0 0 "[ . 1 . 2]" 1
1306 1 99 LEU QB 1 100 PRO QD . . 4.500 2.532 2.124 2.922 . 0 0 "[ . 1 . 2]" 1
1307 1 99 LEU QD 1 100 PRO QD . . 3.670 2.588 2.404 2.861 . 0 0 "[ . 1 . 2]" 1
1308 1 99 LEU QD 1 103 LEU H . . 4.600 4.633 3.490 4.728 0.128 5 0 "[ . 1 . 2]" 1
1309 1 99 LEU MD1 1 100 PRO HD2 . . 5.420 4.166 3.090 4.656 . 0 0 "[ . 1 . 2]" 1
1310 1 99 LEU MD1 1 100 PRO HD3 . . 5.420 4.843 4.007 5.330 . 0 0 "[ . 1 . 2]" 1
1311 1 99 LEU MD1 1 103 LEU H . . 5.500 5.154 3.550 5.501 0.001 19 0 "[ . 1 . 2]" 1
1312 1 99 LEU MD2 1 100 PRO HD2 . . 5.420 2.939 2.754 3.802 . 0 0 "[ . 1 . 2]" 1
1313 1 99 LEU MD2 1 100 PRO HD3 . . 5.420 3.056 2.691 4.650 . 0 0 "[ . 1 . 2]" 1
1314 1 99 LEU MD2 1 103 LEU H . . 5.500 5.311 5.128 5.478 . 0 0 "[ . 1 . 2]" 1
1315 1 100 PRO HA 1 101 SER H . . 2.990 2.262 2.206 2.336 . 0 0 "[ . 1 . 2]" 1
1316 1 100 PRO HA 1 102 SER H . . 4.490 4.038 3.858 4.226 . 0 0 "[ . 1 . 2]" 1
1317 1 100 PRO HA 1 102 SER QB . . 5.500 5.326 5.056 5.535 0.035 13 0 "[ . 1 . 2]" 1
1318 1 100 PRO HA 1 103 LEU H . . 5.010 4.787 4.710 4.853 . 0 0 "[ . 1 . 2]" 1
1319 1 100 PRO HB2 1 101 SER H . . 3.860 3.331 3.030 3.480 . 0 0 "[ . 1 . 2]" 1
1320 1 100 PRO HB2 1 102 SER H . . 3.620 2.599 2.225 2.873 . 0 0 "[ . 1 . 2]" 1
1321 1 100 PRO HB2 1 103 LEU H . . 3.980 3.013 2.813 3.172 . 0 0 "[ . 1 . 2]" 1
1322 1 100 PRO HB2 1 103 LEU QB . . 4.810 3.822 3.702 4.018 . 0 0 "[ . 1 . 2]" 1
1323 1 100 PRO HB2 1 103 LEU QD . . 3.710 2.301 2.027 2.809 . 0 0 "[ . 1 . 2]" 1
1324 1 100 PRO HB3 1 101 SER H . . 4.020 3.297 3.107 3.410 . 0 0 "[ . 1 . 2]" 1
1325 1 100 PRO HB3 1 102 SER H . . 4.230 3.624 3.358 3.770 . 0 0 "[ . 1 . 2]" 1
1326 1 100 PRO HB3 1 103 LEU H . . 5.500 4.689 4.500 4.833 . 0 0 "[ . 1 . 2]" 1
1327 1 100 PRO HB3 1 103 LEU QB . . 5.220 5.239 5.169 5.292 0.072 16 0 "[ . 1 . 2]" 1
1328 1 100 PRO HB3 1 103 LEU QD . . 5.020 3.572 3.409 3.955 . 0 0 "[ . 1 . 2]" 1
1329 1 100 PRO HD2 1 103 LEU QB . . 5.250 2.600 2.286 2.983 . 0 0 "[ . 1 . 2]" 1
1330 1 100 PRO HD3 1 103 LEU QB . . 5.250 4.219 3.897 4.608 . 0 0 "[ . 1 . 2]" 1
1331 1 100 PRO QG 1 101 SER H . . 5.500 4.659 4.530 4.732 . 0 0 "[ . 1 . 2]" 1
1332 1 100 PRO QG 1 102 SER H . . 5.210 4.510 4.118 4.768 . 0 0 "[ . 1 . 2]" 1
1333 1 100 PRO QG 1 103 LEU H . . 4.920 4.189 4.071 4.399 . 0 0 "[ . 1 . 2]" 1
1334 1 100 PRO QG 1 103 LEU HA . . 5.500 5.555 5.520 5.574 0.074 8 0 "[ . 1 . 2]" 1
1335 1 100 PRO QG 1 103 LEU QB . . 4.130 3.856 3.643 4.103 . 0 0 "[ . 1 . 2]" 1
1336 1 100 PRO QG 1 103 LEU QD . . 4.050 1.928 1.859 2.042 . 0 0 "[ . 1 . 2]" 1
1337 1 100 PRO QG 1 103 LEU HG . . 4.870 4.205 3.476 4.642 . 0 0 "[ . 1 . 2]" 1
1338 1 101 SER H 1 101 SER QB . . 3.310 2.514 2.218 2.622 . 0 0 "[ . 1 . 2]" 1
1339 1 101 SER H 1 102 SER H . . 3.610 2.704 2.613 2.827 . 0 0 "[ . 1 . 2]" 1
1340 1 101 SER H 1 103 LEU H . . 4.910 4.325 4.239 4.416 . 0 0 "[ . 1 . 2]" 1
1341 1 101 SER H 1 108 VAL MG1 . . 5.500 4.668 4.119 5.559 0.059 13 0 "[ . 1 . 2]" 1
1342 1 101 SER H 1 108 VAL QG . . 4.580 4.220 3.886 4.471 . 0 0 "[ . 1 . 2]" 1
1343 1 101 SER H 1 108 VAL MG2 . . 5.500 4.975 4.242 5.460 . 0 0 "[ . 1 . 2]" 1
1344 1 101 SER HA 1 103 LEU H . . 5.410 3.851 3.658 4.090 . 0 0 "[ . 1 . 2]" 1
1345 1 101 SER HA 1 104 LEU H . . 4.540 3.529 3.337 3.861 . 0 0 "[ . 1 . 2]" 1
1346 1 101 SER HA 1 108 VAL MG1 . . 4.600 2.631 2.124 3.675 . 0 0 "[ . 1 . 2]" 1
1347 1 101 SER HA 1 108 VAL QG . . 4.000 2.365 2.008 2.685 . 0 0 "[ . 1 . 2]" 1
1348 1 101 SER HA 1 108 VAL MG2 . . 4.600 2.966 2.017 3.379 . 0 0 "[ . 1 . 2]" 1
1349 1 101 SER QB 1 102 SER H . . 4.540 3.380 2.654 3.568 . 0 0 "[ . 1 . 2]" 1
1350 1 101 SER QB 1 104 LEU HB2 . . 5.500 4.802 4.494 5.423 . 0 0 "[ . 1 . 2]" 1
1351 1 101 SER QB 1 108 VAL QG . . 4.960 2.286 2.105 2.733 . 0 0 "[ . 1 . 2]" 1
1352 1 102 SER H 1 102 SER QB . . 3.110 2.452 2.243 2.506 . 0 0 "[ . 1 . 2]" 1
1353 1 102 SER H 1 103 LEU H . . 3.580 2.759 2.722 2.795 . 0 0 "[ . 1 . 2]" 1
1354 1 102 SER H 1 103 LEU QB . . 4.600 4.632 4.607 4.657 0.057 9 0 "[ . 1 . 2]" 1
1355 1 102 SER H 1 104 LEU H . . 4.900 4.190 4.110 4.318 . 0 0 "[ . 1 . 2]" 1
1356 1 102 SER QB 1 103 LEU H . . 4.330 3.000 2.740 3.264 . 0 0 "[ . 1 . 2]" 1
1357 1 102 SER QB 1 103 LEU QD . . 4.310 2.430 2.150 2.830 . 0 0 "[ . 1 . 2]" 1
1358 1 103 LEU H 1 103 LEU QB . . 3.350 2.220 2.159 2.307 . 0 0 "[ . 1 . 2]" 1
1359 1 103 LEU H 1 103 LEU MD1 . . 4.350 3.030 2.303 4.016 . 0 0 "[ . 1 . 2]" 1
1360 1 103 LEU H 1 103 LEU QD . . 3.660 2.410 2.288 2.593 . 0 0 "[ . 1 . 2]" 1
1361 1 103 LEU H 1 103 LEU MD2 . . 4.350 3.401 2.326 4.113 . 0 0 "[ . 1 . 2]" 1
1362 1 103 LEU H 1 103 LEU HG . . 5.000 4.062 3.945 4.280 . 0 0 "[ . 1 . 2]" 1
1363 1 103 LEU H 1 105 SER H . . 5.060 4.275 3.839 4.812 . 0 0 "[ . 1 . 2]" 1
1364 1 103 LEU HA 1 103 LEU MD1 . . 4.490 2.383 2.003 2.694 . 0 0 "[ . 1 . 2]" 1
1365 1 103 LEU HA 1 103 LEU QD . . 3.290 2.323 1.927 2.641 . 0 0 "[ . 1 . 2]" 1
1366 1 103 LEU HA 1 103 LEU MD2 . . 4.490 3.283 2.397 3.806 . 0 0 "[ . 1 . 2]" 1
1367 1 103 LEU QB 1 103 LEU MD1 . . 3.240 2.304 2.278 2.351 . 0 0 "[ . 1 . 2]" 1
1368 1 103 LEU QB 1 103 LEU MD2 . . 3.240 2.191 2.102 2.343 . 0 0 "[ . 1 . 2]" 1
1369 1 103 LEU QB 1 104 LEU H . . 3.970 3.243 2.991 3.494 . 0 0 "[ . 1 . 2]" 1
1370 1 104 LEU H 1 104 LEU HB2 . . 3.700 2.574 2.461 2.737 . 0 0 "[ . 1 . 2]" 1
1371 1 104 LEU H 1 104 LEU HB3 . . 4.140 3.698 2.983 3.808 . 0 0 "[ . 1 . 2]" 1
1372 1 104 LEU H 1 104 LEU MD1 . . 4.710 3.833 2.311 4.339 . 0 0 "[ . 1 . 2]" 1
1373 1 104 LEU H 1 104 LEU QD . . 3.900 3.064 2.302 3.735 . 0 0 "[ . 1 . 2]" 1
1374 1 104 LEU H 1 104 LEU MD2 . . 4.710 3.431 2.405 4.405 . 0 0 "[ . 1 . 2]" 1
1375 1 104 LEU H 1 104 LEU HG . . 5.500 3.764 2.847 4.925 . 0 0 "[ . 1 . 2]" 1
1376 1 104 LEU H 1 105 SER H . . 3.640 2.386 2.036 2.690 . 0 0 "[ . 1 . 2]" 1
1377 1 104 LEU H 1 105 SER QB . . 4.050 3.961 3.663 4.163 0.113 8 0 "[ . 1 . 2]" 1
1378 1 104 LEU H 1 108 VAL MG1 . . 5.040 4.242 3.111 5.194 0.154 4 0 "[ . 1 . 2]" 1
1379 1 104 LEU H 1 108 VAL QG . . 4.290 3.546 3.085 4.119 . 0 0 "[ . 1 . 2]" 1
1380 1 104 LEU H 1 108 VAL MG2 . . 5.040 4.498 3.418 5.191 0.151 16 0 "[ . 1 . 2]" 1
1381 1 104 LEU HA 1 104 LEU QD . . 3.900 2.161 1.985 2.990 . 0 0 "[ . 1 . 2]" 1
1382 1 104 LEU HA 1 106 TYR H . . 5.190 3.650 3.377 4.111 . 0 0 "[ . 1 . 2]" 1
1383 1 104 LEU HB3 1 107 PHE H . . 4.830 3.524 2.747 4.467 . 0 0 "[ . 1 . 2]" 1
1384 1 104 LEU HB3 1 107 PHE QB . . 5.340 3.028 2.681 4.427 . 0 0 "[ . 1 . 2]" 1
1385 1 104 LEU HB3 1 108 VAL H . . 4.890 3.729 3.396 4.468 . 0 0 "[ . 1 . 2]" 1
1386 1 104 LEU HB3 1 108 VAL MG1 . . 4.670 3.462 1.880 4.758 0.088 3 0 "[ . 1 . 2]" 1
1387 1 104 LEU HB3 1 108 VAL QG . . 4.100 2.261 1.877 3.335 . 0 0 "[ . 1 . 2]" 1
1388 1 104 LEU HB3 1 108 VAL MG2 . . 4.670 3.437 2.086 4.787 0.117 20 0 "[ . 1 . 2]" 1
1389 1 104 LEU QD 1 105 SER H . . 5.040 3.971 3.381 4.354 . 0 0 "[ . 1 . 2]" 1
1390 1 104 LEU QD 1 106 TYR H . . 5.180 4.752 3.435 5.206 0.026 3 0 "[ . 1 . 2]" 1
1391 1 104 LEU QD 1 107 PHE H . . 4.600 4.302 2.728 4.644 0.044 9 0 "[ . 1 . 2]" 1
1392 1 105 SER H 1 105 SER QB . . 3.890 2.555 2.221 3.353 . 0 0 "[ . 1 . 2]" 1
1393 1 105 SER H 1 106 TYR H . . 4.210 3.097 2.734 3.743 . 0 0 "[ . 1 . 2]" 1
1394 1 105 SER H 1 108 VAL QG . . 5.040 3.687 1.778 4.627 . 0 0 "[ . 1 . 2]" 1
1395 1 105 SER HA 1 108 VAL QG . . 4.020 3.206 2.297 4.030 0.010 11 0 "[ . 1 . 2]" 1
1396 1 105 SER QB 1 106 TYR H . . 3.770 3.130 2.393 3.736 . 0 0 "[ . 1 . 2]" 1
1397 1 106 TYR H 1 106 TYR HB2 . . 3.810 2.667 2.384 2.907 . 0 0 "[ . 1 . 2]" 1
1398 1 106 TYR H 1 106 TYR HB3 . . 3.810 2.542 2.433 2.654 . 0 0 "[ . 1 . 2]" 1
1399 1 106 TYR H 1 106 TYR QD . . 5.050 4.233 4.162 4.299 . 0 0 "[ . 1 . 2]" 1
1400 1 106 TYR H 1 107 PHE H . . 3.570 2.561 2.223 2.826 . 0 0 "[ . 1 . 2]" 1
1401 1 106 TYR H 1 108 VAL H . . 4.260 3.776 3.601 4.090 . 0 0 "[ . 1 . 2]" 1
1402 1 106 TYR HB2 1 107 PHE H . . 4.440 4.031 3.768 4.172 . 0 0 "[ . 1 . 2]" 1
1403 1 106 TYR HB3 1 107 PHE H . . 4.440 2.844 2.373 3.075 . 0 0 "[ . 1 . 2]" 1
1404 1 107 PHE H 1 107 PHE HB2 . . 4.140 2.507 2.461 2.567 . 0 0 "[ . 1 . 2]" 1
1405 1 107 PHE H 1 107 PHE QB . . 3.510 2.467 2.424 2.524 . 0 0 "[ . 1 . 2]" 1
1406 1 107 PHE H 1 107 PHE HB3 . . 4.140 3.684 3.638 3.734 . 0 0 "[ . 1 . 2]" 1
1407 1 107 PHE H 1 108 VAL H . . 3.210 2.183 2.012 2.535 . 0 0 "[ . 1 . 2]" 1
1408 1 107 PHE H 1 108 VAL QG . . 4.490 3.430 3.150 3.624 . 0 0 "[ . 1 . 2]" 1
1409 1 107 PHE HA 1 107 PHE QD . . 4.210 2.709 2.551 2.826 . 0 0 "[ . 1 . 2]" 1
1410 1 107 PHE HA 1 107 PHE QE . . 4.560 4.524 4.411 4.598 0.038 20 0 "[ . 1 . 2]" 1
1411 1 107 PHE QB 1 108 VAL H . . 3.960 3.113 2.713 3.643 . 0 0 "[ . 1 . 2]" 1
1412 1 107 PHE HB2 1 108 VAL H . . 4.620 3.243 2.782 3.900 . 0 0 "[ . 1 . 2]" 1
1413 1 107 PHE HB3 1 108 VAL H . . 4.620 4.048 3.752 4.370 . 0 0 "[ . 1 . 2]" 1
1414 1 108 VAL H 1 108 VAL HB . . 4.000 3.086 2.499 3.944 . 0 0 "[ . 1 . 2]" 1
1415 1 108 VAL H 1 108 VAL MG1 . . 4.290 3.037 2.035 3.908 . 0 0 "[ . 1 . 2]" 1
1416 1 108 VAL H 1 108 VAL QG . . 3.320 2.368 2.027 2.877 . 0 0 "[ . 1 . 2]" 1
1417 1 108 VAL H 1 108 VAL MG2 . . 4.290 3.117 2.219 3.875 . 0 0 "[ . 1 . 2]" 1
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