NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
517995 |
2l1k   |
17087 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l1k
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 2482
_Distance_constraint_stats_list.Viol_count 5052
_Distance_constraint_stats_list.Viol_total 7735.959
_Distance_constraint_stats_list.Viol_max 0.967
_Distance_constraint_stats_list.Viol_rms 0.0331
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0766
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.533 0.084 5 0 "[ . 1 . 2]"
1 2 SER 0.842 0.084 5 0 "[ . 1 . 2]"
1 3 VAL 3.142 0.094 15 0 "[ . 1 . 2]"
1 4 VAL 1.042 0.083 15 0 "[ . 1 . 2]"
1 5 GLY 1.438 0.094 15 0 "[ . 1 . 2]"
1 6 GLY 1.593 0.118 8 0 "[ . 1 . 2]"
1 7 LEU 6.209 0.118 8 0 "[ . 1 . 2]"
1 8 GLY 7.156 0.280 19 0 "[ . 1 . 2]"
1 9 GLY 6.457 0.280 19 0 "[ . 1 . 2]"
1 10 TYR 16.937 0.967 4 4 "[ * +. 1 .* -]"
1 11 MET 8.105 0.127 7 0 "[ . 1 . 2]"
1 12 LEU 6.768 0.129 15 0 "[ . 1 . 2]"
1 13 GLY 0.396 0.086 15 0 "[ . 1 . 2]"
1 14 SER 6.442 0.176 15 0 "[ . 1 . 2]"
1 15 ALA 5.560 0.176 15 0 "[ . 1 . 2]"
1 16 MET 17.909 0.798 14 2 "[ . 1 +- 2]"
1 17 SER 5.914 0.634 15 1 "[ . 1 + 2]"
1 18 ARG 4.052 0.560 15 1 "[ . 1 + 2]"
1 19 PRO 6.589 0.109 5 0 "[ . 1 . 2]"
1 20 MET 12.369 0.847 17 6 "[ - . 1 **.*+ *2]"
1 21 ILE 14.312 0.847 17 6 "[ - . 1 **.*+ *2]"
1 22 HIS 4.680 0.115 2 0 "[ . 1 . 2]"
1 23 PHE 12.237 0.280 3 0 "[ . 1 . 2]"
1 24 GLY 2.335 0.095 11 0 "[ . 1 . 2]"
1 25 ASN 8.213 0.271 11 0 "[ . 1 . 2]"
1 26 ASP 1.951 0.467 14 0 "[ . 1 . 2]"
1 27 TRP 7.818 0.332 6 0 "[ . 1 . 2]"
1 28 GLU 4.349 0.112 11 0 "[ . 1 . 2]"
1 29 ASP 7.926 0.535 4 1 "[ +. 1 . 2]"
1 30 ARG 7.906 0.560 6 1 "[ .+ 1 . 2]"
1 31 TYR 6.232 0.109 9 0 "[ . 1 . 2]"
1 32 TYR 9.045 0.457 3 0 "[ . 1 . 2]"
1 33 ARG 11.990 0.688 3 3 "[ +-. * . 2]"
1 34 GLU 4.858 0.252 12 0 "[ . 1 . 2]"
1 35 ASN 4.897 0.494 20 0 "[ . 1 . 2]"
1 36 MET 5.673 0.688 3 2 "[ + . - . 2]"
1 37 TYR 3.482 0.130 19 0 "[ . 1 . 2]"
1 38 ARG 3.453 0.494 20 0 "[ . 1 . 2]"
1 39 TYR 5.278 0.465 11 0 "[ . 1 . 2]"
1 40 PRO 1.886 0.077 14 0 "[ . 1 . 2]"
1 41 ASN 6.810 0.251 16 0 "[ . 1 . 2]"
1 42 GLN 8.783 0.798 14 1 "[ . 1 +. 2]"
1 43 VAL 7.174 0.129 15 0 "[ . 1 . 2]"
1 44 TYR 10.332 0.116 13 0 "[ . 1 . 2]"
1 45 TYR 6.867 0.905 10 1 "[ . + . 2]"
1 46 ARG 9.743 0.967 4 4 "[ * +. 1 .* -]"
1 47 PRO 2.665 0.091 7 0 "[ . 1 . 2]"
1 48 VAL 1.986 0.101 18 0 "[ . 1 . 2]"
1 49 ASP 3.941 0.827 2 1 "[ + . 1 . 2]"
1 50 GLN 6.102 0.827 2 1 "[ + . 1 . 2]"
1 51 ALA 5.280 0.122 10 0 "[ . 1 . 2]"
1 52 SER 3.646 0.112 14 0 "[ . 1 . 2]"
1 53 ASN 3.037 0.739 4 1 "[ +. 1 . 2]"
1 54 GLN 7.986 0.926 14 1 "[ . 1 +. 2]"
1 55 ASN 2.583 0.739 4 1 "[ +. 1 . 2]"
1 56 ASN 5.235 0.101 3 0 "[ . 1 . 2]"
1 57 PHE 7.300 0.120 16 0 "[ . 1 . 2]"
1 58 VAL 6.024 0.926 14 2 "[ .- 1 +. 2]"
1 59 HIS 3.166 0.108 14 0 "[ . 1 . 2]"
1 60 ASP 7.363 0.274 20 0 "[ . 1 . 2]"
1 61 CYS 6.004 0.858 6 1 "[ .+ 1 . 2]"
1 62 VAL 5.389 0.109 19 0 "[ . 1 . 2]"
1 63 ASN 9.205 0.108 11 0 "[ . 1 . 2]"
1 64 ILE 8.750 0.130 20 0 "[ . 1 . 2]"
1 65 THR 4.169 0.105 16 0 "[ . 1 . 2]"
1 66 ILE 14.352 0.421 16 0 "[ . 1 . 2]"
1 67 LYS 3.859 0.115 9 0 "[ . 1 . 2]"
1 68 GLN 7.200 0.313 3 0 "[ . 1 . 2]"
1 69 HIS 7.389 0.313 3 0 "[ . 1 . 2]"
1 70 THR 6.229 0.125 17 0 "[ . 1 . 2]"
1 71 VAL 3.252 0.108 9 0 "[ . 1 . 2]"
1 72 THR 8.322 0.107 16 0 "[ . 1 . 2]"
1 73 THR 5.619 0.196 12 0 "[ . 1 . 2]"
1 74 THR 5.928 0.124 16 0 "[ . 1 . 2]"
1 75 THR 4.901 0.205 9 0 "[ . 1 . 2]"
1 76 LYS 4.754 0.262 17 0 "[ . 1 . 2]"
1 77 GLY 2.181 0.103 12 0 "[ . 1 . 2]"
1 78 GLU 8.149 0.124 16 0 "[ . 1 . 2]"
1 79 ASN 6.058 0.101 1 0 "[ . 1 . 2]"
1 80 PHE 11.660 0.369 16 0 "[ . 1 . 2]"
1 81 THR 7.683 0.131 15 0 "[ . 1 . 2]"
1 82 GLU 5.802 0.461 3 0 "[ . 1 . 2]"
1 83 THR 7.134 0.140 9 0 "[ . 1 . 2]"
1 84 ASP 2.578 0.096 9 0 "[ . 1 . 2]"
1 85 VAL 7.727 0.461 3 0 "[ . 1 . 2]"
1 86 LYS 4.026 0.109 3 0 "[ . 1 . 2]"
1 87 MET 6.960 0.140 9 0 "[ . 1 . 2]"
1 88 MET 23.112 0.865 20 6 "[ **-* 1 . *+]"
1 89 GLU 5.302 0.117 5 0 "[ . 1 . 2]"
1 90 ARG 12.887 0.865 20 4 "[ ** 1- . +]"
1 91 VAL 3.597 0.350 13 0 "[ . 1 . 2]"
1 92 VAL 9.012 0.822 5 6 "[ *+-* 1 . **]"
1 93 GLU 10.886 0.599 11 1 "[ . 1+ . 2]"
1 94 GLN 5.683 0.124 13 0 "[ . 1 . 2]"
1 95 MET 9.025 0.135 6 0 "[ . 1 . 2]"
1 96 CYS 1.168 0.455 13 0 "[ . 1 . 2]"
1 97 VAL 0.814 0.096 13 0 "[ . 1 . 2]"
1 98 THR 6.661 0.115 16 0 "[ . 1 . 2]"
1 99 GLN 4.454 0.119 10 0 "[ . 1 . 2]"
1 100 TYR 4.324 0.855 10 1 "[ . + . 2]"
1 101 GLN 4.910 0.095 9 0 "[ . 1 . 2]"
1 102 LYS 12.488 0.515 9 2 "[ - . +1 . 2]"
1 103 GLU 2.355 0.905 10 1 "[ . + . 2]"
1 104 SER 2.866 0.097 16 0 "[ . 1 . 2]"
1 105 GLN 17.896 0.728 5 3 "[ - + *1 . 2]"
1 106 ALA 10.800 0.131 4 0 "[ . 1 . 2]"
1 107 ALA 1.734 0.088 16 0 "[ . 1 . 2]"
1 108 ALA 2.126 0.081 7 0 "[ . 1 . 2]"
1 109 ASP 10.048 0.728 5 3 "[ * + -1 . 2]"
1 110 GLY 3.485 0.134 17 0 "[ . 1 . 2]"
1 111 ARG 6.574 0.131 20 0 "[ . 1 . 2]"
1 112 ARG 3.973 0.418 20 0 "[ . 1 . 2]"
1 113 SER 3.322 0.369 20 0 "[ . 1 . 2]"
1 114 SER 0.900 0.102 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 SER H . . 3.030 2.256 2.143 2.496 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 2 SER HA . . 4.030 4.030 3.909 4.114 0.084 5 0 "[ . 1 . 2]" 1
3 1 1 GLY QA 1 3 VAL QG . . 4.990 4.352 3.537 4.891 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 2 SER QB . . 3.490 2.851 2.332 3.469 . 0 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 3 VAL QG . . 5.330 4.325 3.388 5.153 . 0 0 "[ . 1 . 2]" 1
6 1 2 SER HA 1 3 VAL H . . 2.780 2.308 2.199 2.477 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER HA 1 3 VAL HA . . 4.760 4.492 4.385 4.551 . 0 0 "[ . 1 . 2]" 1
8 1 2 SER HA 1 3 VAL HB . . 5.000 4.507 4.069 5.070 0.070 3 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 3 VAL QG . . 4.780 3.404 2.908 3.680 . 0 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 6 GLY H . . 5.260 5.079 4.514 5.326 0.066 14 0 "[ . 1 . 2]" 1
11 1 2 SER QB 1 3 VAL H . . 3.660 3.161 2.524 3.724 0.064 2 0 "[ . 1 . 2]" 1
12 1 2 SER QB 1 3 VAL QG . . 4.690 4.375 4.040 4.581 . 0 0 "[ . 1 . 2]" 1
13 1 3 VAL H 1 3 VAL HB . . 3.230 3.073 2.486 3.311 0.081 8 0 "[ . 1 . 2]" 1
14 1 3 VAL H 1 3 VAL QG . . 3.450 2.411 1.807 2.987 . 0 0 "[ . 1 . 2]" 1
15 1 3 VAL H 1 4 VAL HA . . 5.500 4.901 4.588 5.418 . 0 0 "[ . 1 . 2]" 1
16 1 3 VAL H 1 6 GLY H . . 3.070 3.109 2.619 3.160 0.090 15 0 "[ . 1 . 2]" 1
17 1 3 VAL H 1 6 GLY QA . . 5.010 3.713 2.220 4.387 . 0 0 "[ . 1 . 2]" 1
18 1 3 VAL HA 1 3 VAL QG . . 3.240 2.284 2.083 2.472 . 0 0 "[ . 1 . 2]" 1
19 1 3 VAL HA 1 4 VAL H . . 2.610 2.345 2.196 2.645 0.035 18 0 "[ . 1 . 2]" 1
20 1 3 VAL HA 1 5 GLY H . . 4.530 4.548 4.117 4.624 0.094 15 0 "[ . 1 . 2]" 1
21 1 3 VAL HB 1 6 GLY H . . 5.500 4.178 2.098 5.371 . 0 0 "[ . 1 . 2]" 1
22 1 3 VAL QG 1 4 VAL H . . 3.880 2.939 1.832 3.673 . 0 0 "[ . 1 . 2]" 1
23 1 3 VAL QG 1 5 GLY H . . 5.300 4.013 3.218 4.748 . 0 0 "[ . 1 . 2]" 1
24 1 3 VAL QG 1 6 GLY H . . 4.730 2.853 2.003 3.844 . 0 0 "[ . 1 . 2]" 1
25 1 3 VAL QG 1 6 GLY QA . . 4.230 2.512 2.033 3.856 . 0 0 "[ . 1 . 2]" 1
26 1 3 VAL QG 1 7 LEU H . . 5.010 3.184 2.318 4.346 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL QG 1 7 LEU HB2 . . 4.560 3.577 2.149 4.270 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL QG 1 7 LEU QD . . 3.480 2.100 1.813 2.650 . 0 0 "[ . 1 . 2]" 1
29 1 3 VAL QG 1 7 LEU HG . . 3.960 2.318 1.897 3.536 . 0 0 "[ . 1 . 2]" 1
30 1 3 VAL QG 1 72 THR MG . . 4.020 3.516 2.731 4.069 0.049 4 0 "[ . 1 . 2]" 1
31 1 4 VAL H 1 4 VAL QG . . 3.230 2.273 1.745 3.105 . 0 0 "[ . 1 . 2]" 1
32 1 4 VAL H 1 72 THR HB . . 4.760 4.670 3.981 4.843 0.083 15 0 "[ . 1 . 2]" 1
33 1 4 VAL HA 1 4 VAL QG . . 3.060 2.225 2.113 2.350 . 0 0 "[ . 1 . 2]" 1
34 1 4 VAL HA 1 5 GLY H . . 2.670 2.480 2.109 2.742 0.072 4 0 "[ . 1 . 2]" 1
35 1 4 VAL HB 1 5 GLY H . . 4.530 4.437 4.069 4.584 0.054 9 0 "[ . 1 . 2]" 1
36 1 4 VAL QG 1 5 GLY H . . 4.460 3.729 3.637 3.822 . 0 0 "[ . 1 . 2]" 1
37 1 4 VAL QG 1 67 LYS QB . . 4.780 3.863 2.064 4.807 0.027 13 0 "[ . 1 . 2]" 1
38 1 4 VAL QG 1 67 LYS QG . . 3.940 2.671 1.920 3.587 . 0 0 "[ . 1 . 2]" 1
39 1 4 VAL QG 1 68 GLN HA . . 4.300 3.587 2.659 4.219 . 0 0 "[ . 1 . 2]" 1
40 1 4 VAL QG 1 68 GLN QE . . 4.460 1.924 1.659 3.121 . 0 0 "[ . 1 . 2]" 1
41 1 4 VAL QG 1 71 VAL HB . . 4.680 3.609 2.255 4.447 . 0 0 "[ . 1 . 2]" 1
42 1 5 GLY H 1 5 GLY QA . . 2.770 2.282 2.205 2.481 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLY H 1 6 GLY H . . 3.520 2.538 1.959 2.913 . 0 0 "[ . 1 . 2]" 1
44 1 6 GLY H 1 6 GLY QA . . 2.520 2.270 2.187 2.339 . 0 0 "[ . 1 . 2]" 1
45 1 6 GLY H 1 7 LEU HG . . 5.500 4.448 3.651 5.269 . 0 0 "[ . 1 . 2]" 1
46 1 6 GLY QA 1 7 LEU H . . 2.880 2.316 2.109 2.840 . 0 0 "[ . 1 . 2]" 1
47 1 6 GLY QA 1 7 LEU HA . . 4.290 4.098 3.981 4.408 0.118 8 0 "[ . 1 . 2]" 1
48 1 6 GLY QA 1 7 LEU QD . . 5.360 3.927 3.161 4.351 . 0 0 "[ . 1 . 2]" 1
49 1 6 GLY QA 1 7 LEU HG . . 4.620 3.960 3.453 4.334 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU H 1 7 LEU HB2 . . 3.480 2.746 2.358 3.547 0.067 19 0 "[ . 1 . 2]" 1
51 1 7 LEU H 1 7 LEU QD . . 4.670 3.215 2.223 3.862 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU H 1 7 LEU HG . . 3.820 3.079 2.180 3.792 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU H 1 9 GLY H . . 4.170 4.023 2.744 4.268 0.098 20 0 "[ . 1 . 2]" 1
54 1 7 LEU H 1 10 TYR H . . 5.270 4.556 2.799 5.286 0.016 13 0 "[ . 1 . 2]" 1
55 1 7 LEU HA 1 7 LEU QD . . 3.850 2.412 2.033 3.296 . 0 0 "[ . 1 . 2]" 1
56 1 7 LEU HA 1 7 LEU HG . . 4.130 2.999 2.363 3.564 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HA 1 8 GLY H . . 3.000 2.501 2.135 3.081 0.081 10 0 "[ . 1 . 2]" 1
58 1 7 LEU HA 1 8 GLY HA2 . . 5.110 4.464 4.270 4.872 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU HA 1 9 GLY H . . 5.070 4.444 3.024 5.033 . 0 0 "[ . 1 . 2]" 1
60 1 7 LEU HA 1 10 TYR H . . 4.890 4.834 3.937 4.974 0.084 10 0 "[ . 1 . 2]" 1
61 1 7 LEU HA 1 10 TYR HB2 . . 4.760 4.799 3.983 4.860 0.100 19 0 "[ . 1 . 2]" 1
62 1 7 LEU HA 1 10 TYR QE . . 4.990 4.302 2.415 5.062 0.072 8 0 "[ . 1 . 2]" 1
63 1 7 LEU HB2 1 7 LEU HG . . 2.850 2.583 2.327 2.933 0.083 7 0 "[ . 1 . 2]" 1
64 1 7 LEU HB2 1 8 GLY H . . 4.080 3.622 2.576 4.142 0.062 4 0 "[ . 1 . 2]" 1
65 1 7 LEU HB2 1 10 TYR H . . 4.900 2.985 2.449 4.457 . 0 0 "[ . 1 . 2]" 1
66 1 7 LEU HB2 1 10 TYR HB3 . . 4.870 4.138 3.470 4.944 0.074 4 0 "[ . 1 . 2]" 1
67 1 7 LEU HB2 1 10 TYR QD . . 3.830 3.218 2.618 3.864 0.034 20 0 "[ . 1 . 2]" 1
68 1 7 LEU HB3 1 8 GLY H . . 4.070 2.834 1.871 4.144 0.074 20 0 "[ . 1 . 2]" 1
69 1 7 LEU HB3 1 9 GLY H . . 5.450 4.295 3.684 5.501 0.051 10 0 "[ . 1 . 2]" 1
70 1 7 LEU HB3 1 10 TYR H . . 5.090 3.464 2.667 4.728 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU HB3 1 10 TYR QD . . 3.730 2.559 2.052 3.432 . 0 0 "[ . 1 . 2]" 1
72 1 7 LEU HB3 1 10 TYR QE . . 3.570 3.474 3.115 3.671 0.101 2 0 "[ . 1 . 2]" 1
73 1 7 LEU QD 1 8 GLY H . . 5.060 3.683 3.218 4.488 . 0 0 "[ . 1 . 2]" 1
74 1 7 LEU QD 1 10 TYR H . . 5.500 3.880 2.992 4.694 . 0 0 "[ . 1 . 2]" 1
75 1 7 LEU QD 1 10 TYR HB2 . . 4.550 2.388 2.169 3.522 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU QD 1 10 TYR HB3 . . 5.110 3.012 2.722 4.059 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU QD 1 10 TYR QD . . 4.010 2.974 2.710 3.293 . 0 0 "[ . 1 . 2]" 1
78 1 7 LEU QD 1 10 TYR QE . . 4.380 3.387 2.616 3.818 . 0 0 "[ . 1 . 2]" 1
79 1 7 LEU QD 1 44 TYR HB2 . . 5.500 3.504 3.113 4.065 . 0 0 "[ . 1 . 2]" 1
80 1 7 LEU QD 1 44 TYR QD . . 4.920 2.922 2.103 3.613 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU QD 1 44 TYR QE . . 3.970 3.349 2.456 4.017 0.047 3 0 "[ . 1 . 2]" 1
82 1 7 LEU QD 1 64 ILE MD . . 3.600 2.100 1.760 2.592 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU QD 1 64 ILE HG12 . . 3.400 3.391 3.112 3.505 0.105 16 0 "[ . 1 . 2]" 1
84 1 7 LEU QD 1 64 ILE HG13 . . 3.660 2.067 1.942 2.182 . 0 0 "[ . 1 . 2]" 1
85 1 7 LEU QD 1 64 ILE MG . . 4.090 1.837 1.757 1.926 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU QD 1 67 LYS QB . . 4.990 4.302 3.642 4.853 . 0 0 "[ . 1 . 2]" 1
87 1 7 LEU QD 1 68 GLN HB2 . . 5.500 4.831 3.776 5.316 . 0 0 "[ . 1 . 2]" 1
88 1 7 LEU QD 1 68 GLN QE . . 4.080 3.044 2.145 3.896 . 0 0 "[ . 1 . 2]" 1
89 1 7 LEU QD 1 68 GLN QG . . 4.670 3.000 1.926 3.703 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU HG 1 8 GLY H . . 5.340 4.788 4.347 5.355 0.015 13 0 "[ . 1 . 2]" 1
91 1 7 LEU HG 1 10 TYR HB2 . . 5.400 4.258 3.644 5.437 0.037 20 0 "[ . 1 . 2]" 1
92 1 7 LEU HG 1 10 TYR QD . . 5.200 4.937 4.770 5.175 . 0 0 "[ . 1 . 2]" 1
93 1 8 GLY H 1 8 GLY HA3 . . 2.900 2.364 2.227 2.994 0.094 1 0 "[ . 1 . 2]" 1
94 1 8 GLY H 1 9 GLY H . . 3.490 3.328 1.856 3.580 0.090 2 0 "[ . 1 . 2]" 1
95 1 8 GLY H 1 10 TYR QD . . 4.430 2.749 2.101 3.744 . 0 0 "[ . 1 . 2]" 1
96 1 8 GLY H 1 10 TYR QE . . 4.460 2.878 2.064 4.574 0.114 20 0 "[ . 1 . 2]" 1
97 1 8 GLY HA2 1 10 TYR H . . 4.880 4.626 3.182 4.835 . 0 0 "[ . 1 . 2]" 1
98 1 8 GLY HA2 1 10 TYR QD . . 4.410 4.188 3.906 4.545 0.135 1 0 "[ . 1 . 2]" 1
99 1 8 GLY HA3 1 9 GLY H . . 3.360 3.546 3.397 3.640 0.280 19 0 "[ . 1 . 2]" 1
100 1 8 GLY HA3 1 10 TYR H . . 4.740 4.660 4.098 4.953 0.213 14 0 "[ . 1 . 2]" 1
101 1 9 GLY H 1 9 GLY HA2 . . 2.840 2.367 2.289 2.928 0.088 20 0 "[ . 1 . 2]" 1
102 1 9 GLY H 1 10 TYR H . . 3.300 2.544 1.986 2.823 . 0 0 "[ . 1 . 2]" 1
103 1 9 GLY H 1 10 TYR HB2 . . 5.160 4.516 3.879 4.767 . 0 0 "[ . 1 . 2]" 1
104 1 9 GLY H 1 10 TYR QD . . 4.190 3.404 2.231 3.809 . 0 0 "[ . 1 . 2]" 1
105 1 9 GLY HA2 1 10 TYR H . . 3.590 2.887 2.625 3.297 . 0 0 "[ . 1 . 2]" 1
106 1 9 GLY HA2 1 10 TYR QD . . 5.480 4.605 4.263 4.932 . 0 0 "[ . 1 . 2]" 1
107 1 9 GLY HA2 1 11 MET ME . . 4.680 4.546 4.157 4.773 0.093 8 0 "[ . 1 . 2]" 1
108 1 9 GLY HA3 1 10 TYR QD . . 5.240 4.538 3.660 5.253 0.013 13 0 "[ . 1 . 2]" 1
109 1 10 TYR H 1 10 TYR HB2 . . 3.270 2.266 2.049 2.448 . 0 0 "[ . 1 . 2]" 1
110 1 10 TYR H 1 10 TYR HB3 . . 3.700 3.525 3.360 3.652 . 0 0 "[ . 1 . 2]" 1
111 1 10 TYR H 1 10 TYR QD . . 2.960 2.340 1.891 2.639 . 0 0 "[ . 1 . 2]" 1
112 1 10 TYR H 1 10 TYR QE . . 4.770 4.640 4.094 4.842 0.072 17 0 "[ . 1 . 2]" 1
113 1 10 TYR H 1 11 MET H . . 4.850 4.520 4.379 4.623 . 0 0 "[ . 1 . 2]" 1
114 1 10 TYR H 1 44 TYR QD . . 5.340 5.345 4.845 5.456 0.116 13 0 "[ . 1 . 2]" 1
115 1 10 TYR HA 1 10 TYR QD . . 3.320 3.043 2.716 3.189 . 0 0 "[ . 1 . 2]" 1
116 1 10 TYR HA 1 11 MET H . . 3.180 2.256 2.014 2.591 . 0 0 "[ . 1 . 2]" 1
117 1 10 TYR HA 1 11 MET HB2 . . 4.930 4.563 4.143 4.776 . 0 0 "[ . 1 . 2]" 1
118 1 10 TYR HA 1 11 MET ME . . 5.500 4.162 3.644 4.871 . 0 0 "[ . 1 . 2]" 1
119 1 10 TYR HA 1 11 MET QG . . 5.090 3.694 2.992 5.168 0.078 12 0 "[ . 1 . 2]" 1
120 1 10 TYR HA 1 46 ARG HA . . 3.220 2.630 2.096 3.179 . 0 0 "[ . 1 . 2]" 1
121 1 10 TYR HA 1 46 ARG HB3 . . 4.940 4.679 4.163 5.012 0.072 13 0 "[ . 1 . 2]" 1
122 1 10 TYR HA 1 46 ARG HG2 . . 5.140 3.058 2.494 3.798 . 0 0 "[ . 1 . 2]" 1
123 1 10 TYR HA 1 46 ARG HG3 . . 4.630 4.002 3.063 4.697 0.067 3 0 "[ . 1 . 2]" 1
124 1 10 TYR HA 1 47 PRO HD2 . . 5.050 4.296 3.655 4.996 . 0 0 "[ . 1 . 2]" 1
125 1 10 TYR HA 1 47 PRO HD3 . . 5.300 3.377 2.773 4.356 . 0 0 "[ . 1 . 2]" 1
126 1 10 TYR HB2 1 11 MET H . . 4.280 3.881 3.579 4.162 . 0 0 "[ . 1 . 2]" 1
127 1 10 TYR HB2 1 44 TYR HB2 . . 5.360 5.176 4.492 5.428 0.068 18 0 "[ . 1 . 2]" 1
128 1 10 TYR HB2 1 44 TYR HB3 . . 5.110 3.665 2.976 3.947 . 0 0 "[ . 1 . 2]" 1
129 1 10 TYR HB2 1 44 TYR QD . . 4.070 3.480 2.733 3.842 . 0 0 "[ . 1 . 2]" 1
130 1 10 TYR HB2 1 64 ILE MG . . 5.040 4.197 2.906 4.569 . 0 0 "[ . 1 . 2]" 1
131 1 10 TYR HB3 1 11 MET H . . 3.980 2.625 2.322 3.017 . 0 0 "[ . 1 . 2]" 1
132 1 10 TYR HB3 1 44 TYR HA . . 5.190 4.085 3.477 4.480 . 0 0 "[ . 1 . 2]" 1
133 1 10 TYR HB3 1 44 TYR HB2 . . 4.450 4.168 3.727 4.410 . 0 0 "[ . 1 . 2]" 1
134 1 10 TYR HB3 1 44 TYR HB3 . . 3.700 2.490 2.046 2.737 . 0 0 "[ . 1 . 2]" 1
135 1 10 TYR HB3 1 44 TYR QD . . 3.760 2.934 2.310 3.848 0.088 13 0 "[ . 1 . 2]" 1
136 1 10 TYR HB3 1 45 TYR H . . 5.440 3.230 2.929 3.472 . 0 0 "[ . 1 . 2]" 1
137 1 10 TYR HB3 1 46 ARG HG2 . . 5.500 4.596 3.748 5.691 0.191 2 0 "[ . 1 . 2]" 1
138 1 10 TYR HB3 1 64 ILE MG . . 4.870 3.941 3.285 4.252 . 0 0 "[ . 1 . 2]" 1
139 1 10 TYR QD 1 11 MET H . . 3.790 3.850 3.399 3.893 0.103 3 0 "[ . 1 . 2]" 1
140 1 10 TYR QD 1 44 TYR HB2 . . 3.880 3.455 3.049 3.954 0.074 12 0 "[ . 1 . 2]" 1
141 1 10 TYR QD 1 45 TYR H . . 3.820 3.381 2.707 3.883 0.063 7 0 "[ . 1 . 2]" 1
142 1 10 TYR QD 1 45 TYR HA . . 4.700 3.208 2.606 3.595 . 0 0 "[ . 1 . 2]" 1
143 1 10 TYR QD 1 46 ARG H . . 4.190 4.028 3.222 4.286 0.096 7 0 "[ . 1 . 2]" 1
144 1 10 TYR QD 1 46 ARG HA . . 4.970 4.128 3.877 4.463 . 0 0 "[ . 1 . 2]" 1
145 1 10 TYR QD 1 46 ARG HD2 . . 5.210 4.076 3.099 5.074 . 0 0 "[ . 1 . 2]" 1
146 1 10 TYR QD 1 46 ARG HG2 . . 3.870 3.224 2.420 3.986 0.116 2 0 "[ . 1 . 2]" 1
147 1 10 TYR QD 1 46 ARG HG3 . . 5.070 3.447 2.880 4.348 . 0 0 "[ . 1 . 2]" 1
148 1 10 TYR QD 1 64 ILE MD . . 4.590 4.659 4.490 4.720 0.130 20 0 "[ . 1 . 2]" 1
149 1 10 TYR QD 1 64 ILE HG12 . . 4.780 4.468 4.101 4.823 0.043 17 0 "[ . 1 . 2]" 1
150 1 10 TYR QD 1 64 ILE MG . . 3.960 3.106 2.576 3.608 . 0 0 "[ . 1 . 2]" 1
151 1 10 TYR QE 1 45 TYR HA . . 4.890 4.035 3.051 4.904 0.014 7 0 "[ . 1 . 2]" 1
152 1 10 TYR QE 1 46 ARG HB2 . . 5.340 4.850 4.370 5.185 . 0 0 "[ . 1 . 2]" 1
153 1 10 TYR QE 1 46 ARG HD2 . . 4.400 3.419 2.387 4.964 0.564 20 1 "[ . 1 . +]" 1
154 1 10 TYR QE 1 46 ARG HD3 . . 4.900 3.766 2.517 4.490 . 0 0 "[ . 1 . 2]" 1
155 1 10 TYR QE 1 46 ARG HG2 . . 3.380 3.556 3.134 4.347 0.967 4 3 "[ * +. 1 .- 2]" 1
156 1 10 TYR QE 1 46 ARG HG3 . . 4.770 3.161 2.640 3.762 . 0 0 "[ . 1 . 2]" 1
157 1 10 TYR QE 1 60 ASP HB2 . . 5.190 4.938 4.290 5.291 0.101 8 0 "[ . 1 . 2]" 1
158 1 10 TYR QE 1 60 ASP HB3 . . 5.200 3.765 2.634 4.525 . 0 0 "[ . 1 . 2]" 1
159 1 10 TYR QE 1 64 ILE HB . . 4.620 3.433 2.562 4.218 . 0 0 "[ . 1 . 2]" 1
160 1 10 TYR QE 1 64 ILE MD . . 4.440 3.802 3.502 4.084 . 0 0 "[ . 1 . 2]" 1
161 1 10 TYR QE 1 64 ILE HG12 . . 5.270 2.915 2.439 3.522 . 0 0 "[ . 1 . 2]" 1
162 1 10 TYR QE 1 64 ILE HG13 . . 3.660 2.819 2.334 3.223 . 0 0 "[ . 1 . 2]" 1
163 1 10 TYR QE 1 64 ILE MG . . 4.130 3.556 3.019 4.207 0.077 12 0 "[ . 1 . 2]" 1
164 1 11 MET H 1 11 MET HB2 . . 3.870 2.519 2.168 2.701 . 0 0 "[ . 1 . 2]" 1
165 1 11 MET H 1 11 MET ME . . 5.290 3.559 3.186 4.006 . 0 0 "[ . 1 . 2]" 1
166 1 11 MET H 1 11 MET QG . . 3.670 2.761 2.347 3.752 0.082 12 0 "[ . 1 . 2]" 1
167 1 11 MET H 1 12 LEU H . . 5.050 4.428 4.258 4.557 . 0 0 "[ . 1 . 2]" 1
168 1 11 MET H 1 44 TYR HA . . 5.110 4.450 3.658 4.790 . 0 0 "[ . 1 . 2]" 1
169 1 11 MET H 1 45 TYR H . . 3.970 2.725 2.352 2.950 . 0 0 "[ . 1 . 2]" 1
170 1 11 MET H 1 45 TYR HA . . 4.760 4.661 4.271 4.821 0.061 9 0 "[ . 1 . 2]" 1
171 1 11 MET H 1 45 TYR QD . . 5.500 4.336 4.075 4.514 . 0 0 "[ . 1 . 2]" 1
172 1 11 MET H 1 46 ARG HA . . 4.470 3.272 2.977 3.512 . 0 0 "[ . 1 . 2]" 1
173 1 11 MET H 1 47 PRO HD3 . . 5.230 3.766 3.142 4.400 . 0 0 "[ . 1 . 2]" 1
174 1 11 MET HA 1 11 MET ME . . 3.950 1.873 1.772 1.970 . 0 0 "[ . 1 . 2]" 1
175 1 11 MET HA 1 11 MET QG . . 3.400 3.048 2.742 3.434 0.034 17 0 "[ . 1 . 2]" 1
176 1 11 MET HA 1 12 LEU H . . 2.860 2.348 2.144 2.556 . 0 0 "[ . 1 . 2]" 1
177 1 11 MET HA 1 12 LEU HB2 . . 4.820 4.555 4.122 4.833 0.013 20 0 "[ . 1 . 2]" 1
178 1 11 MET HA 1 12 LEU HB3 . . 4.730 4.478 4.103 4.754 0.024 16 0 "[ . 1 . 2]" 1
179 1 11 MET HA 1 44 TYR HA . . 5.360 5.249 4.902 5.403 0.043 8 0 "[ . 1 . 2]" 1
180 1 11 MET HB2 1 11 MET ME . . 3.550 3.603 3.450 3.648 0.098 20 0 "[ . 1 . 2]" 1
181 1 11 MET HB2 1 12 LEU H . . 4.390 3.746 3.066 4.331 . 0 0 "[ . 1 . 2]" 1
182 1 11 MET HB2 1 45 TYR H . . 5.390 3.307 2.957 3.942 . 0 0 "[ . 1 . 2]" 1
183 1 11 MET HB2 1 45 TYR QD . . 4.000 3.363 3.142 3.748 . 0 0 "[ . 1 . 2]" 1
184 1 11 MET HB2 1 45 TYR QE . . 3.660 3.061 2.738 3.360 . 0 0 "[ . 1 . 2]" 1
185 1 11 MET HB3 1 11 MET ME . . 3.420 2.852 2.225 3.502 0.082 19 0 "[ . 1 . 2]" 1
186 1 11 MET HB3 1 12 LEU H . . 3.770 2.809 2.248 3.736 . 0 0 "[ . 1 . 2]" 1
187 1 11 MET HB3 1 45 TYR QE . . 3.670 3.357 3.000 3.738 0.068 6 0 "[ . 1 . 2]" 1
188 1 11 MET ME 1 11 MET QG . . 3.030 2.411 2.130 2.681 . 0 0 "[ . 1 . 2]" 1
189 1 11 MET ME 1 12 LEU H . . 4.360 3.310 2.558 3.610 . 0 0 "[ . 1 . 2]" 1
190 1 11 MET ME 1 12 LEU HA . . 5.500 5.540 5.056 5.615 0.115 19 0 "[ . 1 . 2]" 1
191 1 11 MET ME 1 45 TYR H . . 5.380 5.482 5.436 5.507 0.127 7 0 "[ . 1 . 2]" 1
192 1 11 MET ME 1 47 PRO HD3 . . 5.110 4.352 3.629 5.201 0.091 7 0 "[ . 1 . 2]" 1
193 1 11 MET QG 1 12 LEU H . . 4.930 4.481 3.469 4.934 0.004 20 0 "[ . 1 . 2]" 1
194 1 11 MET QG 1 45 TYR H . . 5.320 4.635 4.245 5.088 . 0 0 "[ . 1 . 2]" 1
195 1 11 MET QG 1 45 TYR QE . . 4.840 2.842 2.374 3.762 . 0 0 "[ . 1 . 2]" 1
196 1 11 MET QG 1 47 PRO HA . . 5.180 3.659 2.930 4.765 . 0 0 "[ . 1 . 2]" 1
197 1 11 MET QG 1 47 PRO HD2 . . 4.990 4.222 3.720 5.070 0.080 7 0 "[ . 1 . 2]" 1
198 1 11 MET QG 1 47 PRO HD3 . . 4.040 2.671 2.130 3.609 . 0 0 "[ . 1 . 2]" 1
199 1 11 MET QG 1 47 PRO HG3 . . 4.220 3.249 2.143 4.308 0.088 2 0 "[ . 1 . 2]" 1
200 1 12 LEU H 1 12 LEU HB2 . . 3.300 3.134 2.710 3.366 0.066 17 0 "[ . 1 . 2]" 1
201 1 12 LEU H 1 12 LEU HB3 . . 3.110 2.580 2.327 2.733 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU H 1 12 LEU QD . . 4.510 3.875 3.543 4.049 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU H 1 12 LEU HG . . 4.730 4.465 4.275 4.815 0.085 3 0 "[ . 1 . 2]" 1
204 1 12 LEU H 1 13 GLY H . . 5.000 4.289 4.067 4.560 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU H 1 44 TYR QE . . 5.370 4.948 3.937 5.396 0.026 3 0 "[ . 1 . 2]" 1
206 1 12 LEU HA 1 12 LEU QD . . 3.530 2.389 2.160 2.878 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU HA 1 13 GLY H . . 3.240 2.138 2.048 2.214 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU HA 1 43 VAL H . . 5.500 4.460 4.037 5.086 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU HA 1 44 TYR HA . . 3.720 2.094 1.989 2.319 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU HA 1 45 TYR H . . 4.710 3.515 3.156 3.796 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU HA 1 45 TYR QD . . 3.920 3.757 3.321 4.006 0.086 5 0 "[ . 1 . 2]" 1
212 1 12 LEU HB2 1 13 GLY H . . 5.010 4.176 4.041 4.347 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU HB2 1 44 TYR HA . . 5.110 3.601 2.980 4.108 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU HB2 1 44 TYR QD . . 3.870 2.776 2.563 3.049 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU HB2 1 44 TYR QE . . 4.650 2.500 2.310 2.867 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU HB3 1 13 GLY H . . 5.140 4.267 4.067 4.468 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU HB3 1 44 TYR QD . . 4.260 4.259 4.077 4.347 0.087 20 0 "[ . 1 . 2]" 1
218 1 12 LEU HB3 1 44 TYR QE . . 3.670 3.762 3.741 3.780 0.110 13 0 "[ . 1 . 2]" 1
219 1 12 LEU QD 1 13 GLY H . . 3.900 2.638 2.042 3.499 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU QD 1 13 GLY HA3 . . 5.500 4.086 2.957 4.795 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU QD 1 42 GLN HA . . 5.500 3.789 2.772 4.367 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU QD 1 42 GLN HB2 . . 4.460 2.485 2.133 3.189 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU QD 1 42 GLN HB3 . . 4.150 2.162 1.912 2.695 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU QD 1 42 GLN HE21 . . 4.350 2.798 1.891 3.701 . 0 0 "[ . 1 . 2]" 1
225 1 12 LEU QD 1 42 GLN HE22 . . 4.070 2.468 2.223 2.973 . 0 0 "[ . 1 . 2]" 1
226 1 12 LEU QD 1 42 GLN QG . . 5.110 3.353 2.843 3.579 . 0 0 "[ . 1 . 2]" 1
227 1 12 LEU QD 1 43 VAL H . . 5.020 2.910 1.712 3.697 . 0 0 "[ . 1 . 2]" 1
228 1 12 LEU QD 1 43 VAL MG2 . . 5.500 3.971 2.900 4.434 . 0 0 "[ . 1 . 2]" 1
229 1 12 LEU QD 1 44 TYR HA . . 4.680 2.887 2.485 4.292 . 0 0 "[ . 1 . 2]" 1
230 1 12 LEU QD 1 44 TYR QD . . 3.820 2.979 2.815 3.238 . 0 0 "[ . 1 . 2]" 1
231 1 12 LEU QD 1 44 TYR QE . . 3.220 2.689 2.154 3.172 . 0 0 "[ . 1 . 2]" 1
232 1 12 LEU QD 1 45 TYR H . . 5.500 4.734 4.208 5.326 . 0 0 "[ . 1 . 2]" 1
233 1 12 LEU HG 1 13 GLY H . . 5.250 3.175 2.571 4.755 . 0 0 "[ . 1 . 2]" 1
234 1 12 LEU HG 1 42 GLN HB2 . . 5.360 4.023 3.372 4.994 . 0 0 "[ . 1 . 2]" 1
235 1 12 LEU HG 1 42 GLN HE21 . . 4.700 3.341 2.313 4.781 0.081 15 0 "[ . 1 . 2]" 1
236 1 12 LEU HG 1 42 GLN HE22 . . 4.450 3.699 3.145 4.539 0.089 19 0 "[ . 1 . 2]" 1
237 1 12 LEU HG 1 43 VAL MG2 . . 5.500 5.438 5.042 5.629 0.129 15 0 "[ . 1 . 2]" 1
238 1 13 GLY H 1 14 SER H . . 4.650 4.267 3.207 4.608 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLY H 1 43 VAL H . . 4.620 3.008 2.674 3.411 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLY H 1 43 VAL MG2 . . 5.010 3.272 2.447 3.654 . 0 0 "[ . 1 . 2]" 1
241 1 13 GLY H 1 44 TYR HA . . 4.710 3.331 3.079 3.724 . 0 0 "[ . 1 . 2]" 1
242 1 13 GLY H 1 45 TYR QD . . 3.990 3.239 2.591 3.727 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLY H 1 45 TYR QE . . 3.470 3.102 2.358 3.520 0.050 7 0 "[ . 1 . 2]" 1
244 1 13 GLY HA2 1 14 SER H . . 3.020 2.642 2.371 3.106 0.086 15 0 "[ . 1 . 2]" 1
245 1 13 GLY HA2 1 43 VAL H . . 5.420 4.916 4.442 5.487 0.067 15 0 "[ . 1 . 2]" 1
246 1 13 GLY HA2 1 45 TYR QE . . 3.220 2.471 2.176 2.905 . 0 0 "[ . 1 . 2]" 1
247 1 13 GLY HA2 1 99 GLN QE . . 5.460 3.210 2.134 4.021 . 0 0 "[ . 1 . 2]" 1
248 1 13 GLY HA3 1 14 SER H . . 3.440 2.644 2.064 3.483 0.043 9 0 "[ . 1 . 2]" 1
249 1 13 GLY HA3 1 43 VAL H . . 5.050 3.407 2.811 4.447 . 0 0 "[ . 1 . 2]" 1
250 1 13 GLY HA3 1 43 VAL MG2 . . 5.370 3.054 2.445 3.463 . 0 0 "[ . 1 . 2]" 1
251 1 13 GLY HA3 1 45 TYR QE . . 3.380 2.932 2.453 3.377 . 0 0 "[ . 1 . 2]" 1
252 1 13 GLY HA3 1 99 GLN QE . . 5.500 3.382 2.236 4.116 . 0 0 "[ . 1 . 2]" 1
253 1 14 SER H 1 14 SER HB2 . . 3.390 3.242 2.721 3.486 0.096 15 0 "[ . 1 . 2]" 1
254 1 14 SER H 1 14 SER HB3 . . 3.450 3.319 2.560 3.553 0.103 6 0 "[ . 1 . 2]" 1
255 1 14 SER H 1 15 ALA H . . 4.610 4.553 4.265 4.662 0.052 6 0 "[ . 1 . 2]" 1
256 1 14 SER H 1 16 MET ME . . 5.500 4.469 3.348 5.604 0.104 6 0 "[ . 1 . 2]" 1
257 1 14 SER H 1 43 VAL H . . 4.870 4.828 3.972 4.958 0.088 1 0 "[ . 1 . 2]" 1
258 1 14 SER H 1 45 TYR QE . . 4.990 4.716 4.259 5.071 0.081 18 0 "[ . 1 . 2]" 1
259 1 14 SER H 1 99 GLN QE . . 4.970 4.126 3.368 4.697 . 0 0 "[ . 1 . 2]" 1
260 1 14 SER H 1 99 GLN HG3 . . 5.500 4.852 3.618 5.529 0.029 6 0 "[ . 1 . 2]" 1
261 1 14 SER HA 1 15 ALA H . . 2.710 2.427 2.268 2.785 0.075 6 0 "[ . 1 . 2]" 1
262 1 14 SER HA 1 15 ALA MB . . 4.100 4.073 3.887 4.198 0.098 6 0 "[ . 1 . 2]" 1
263 1 14 SER HA 1 42 GLN HE21 . . 3.870 2.954 2.419 3.626 . 0 0 "[ . 1 . 2]" 1
264 1 14 SER HA 1 42 GLN HE22 . . 4.260 4.019 3.268 4.338 0.078 3 0 "[ . 1 . 2]" 1
265 1 14 SER HA 1 42 GLN QG . . 4.870 3.417 2.936 4.200 . 0 0 "[ . 1 . 2]" 1
266 1 14 SER HB2 1 15 ALA H . . 3.340 2.927 2.472 3.464 0.124 15 0 "[ . 1 . 2]" 1
267 1 14 SER HB2 1 15 ALA MB . . 4.710 4.342 3.715 4.886 0.176 15 0 "[ . 1 . 2]" 1
268 1 14 SER HB3 1 15 ALA H . . 3.390 2.998 2.141 3.451 0.061 2 0 "[ . 1 . 2]" 1
269 1 14 SER HB3 1 15 ALA MB . . 4.770 4.571 4.020 4.877 0.107 2 0 "[ . 1 . 2]" 1
270 1 15 ALA H 1 15 ALA MB . . 2.880 2.208 2.063 2.421 . 0 0 "[ . 1 . 2]" 1
271 1 15 ALA H 1 42 GLN HE21 . . 4.530 3.689 2.753 4.494 . 0 0 "[ . 1 . 2]" 1
272 1 15 ALA H 1 42 GLN HE22 . . 4.840 4.694 3.812 4.915 0.075 1 0 "[ . 1 . 2]" 1
273 1 15 ALA H 1 42 GLN QG . . 4.610 3.169 2.827 3.709 . 0 0 "[ . 1 . 2]" 1
274 1 15 ALA HA 1 16 MET H . . 2.850 2.148 2.065 2.269 . 0 0 "[ . 1 . 2]" 1
275 1 15 ALA HA 1 16 MET HB2 . . 4.670 4.628 4.204 4.734 0.064 5 0 "[ . 1 . 2]" 1
276 1 15 ALA HA 1 16 MET HG3 . . 4.920 4.080 3.115 4.507 . 0 0 "[ . 1 . 2]" 1
277 1 15 ALA HA 1 41 ASN HB3 . . 5.030 3.166 2.184 4.390 . 0 0 "[ . 1 . 2]" 1
278 1 15 ALA HA 1 41 ASN HD21 . . 5.500 3.866 2.794 5.129 . 0 0 "[ . 1 . 2]" 1
279 1 15 ALA HA 1 42 GLN HA . . 3.990 3.247 2.604 3.772 . 0 0 "[ . 1 . 2]" 1
280 1 15 ALA HA 1 42 GLN HB2 . . 4.820 4.632 4.287 4.873 0.053 13 0 "[ . 1 . 2]" 1
281 1 15 ALA HA 1 42 GLN HB3 . . 4.660 4.407 3.787 4.712 0.052 14 0 "[ . 1 . 2]" 1
282 1 15 ALA HA 1 42 GLN QG . . 3.610 2.136 1.956 2.452 . 0 0 "[ . 1 . 2]" 1
283 1 15 ALA MB 1 16 MET H . . 3.780 3.334 2.649 3.585 . 0 0 "[ . 1 . 2]" 1
284 1 15 ALA MB 1 16 MET HA . . 4.890 4.379 4.165 4.578 . 0 0 "[ . 1 . 2]" 1
285 1 15 ALA MB 1 16 MET HB2 . . 5.500 5.351 4.921 5.566 0.066 5 0 "[ . 1 . 2]" 1
286 1 15 ALA MB 1 16 MET HG2 . . 5.500 5.298 4.740 5.606 0.106 12 0 "[ . 1 . 2]" 1
287 1 15 ALA MB 1 16 MET HG3 . . 5.500 5.165 4.307 5.473 . 0 0 "[ . 1 . 2]" 1
288 1 15 ALA MB 1 41 ASN HB2 . . 5.500 2.867 2.188 3.395 . 0 0 "[ . 1 . 2]" 1
289 1 15 ALA MB 1 41 ASN HB3 . . 4.990 3.213 2.199 4.573 . 0 0 "[ . 1 . 2]" 1
290 1 15 ALA MB 1 41 ASN HD21 . . 3.810 3.296 2.677 3.882 0.072 13 0 "[ . 1 . 2]" 1
291 1 15 ALA MB 1 41 ASN HD22 . . 4.070 3.901 2.957 4.175 0.105 14 0 "[ . 1 . 2]" 1
292 1 15 ALA MB 1 42 GLN H . . 5.500 4.865 4.263 5.546 0.046 13 0 "[ . 1 . 2]" 1
293 1 15 ALA MB 1 42 GLN HB2 . . 5.500 5.091 4.401 5.562 0.062 5 0 "[ . 1 . 2]" 1
294 1 15 ALA MB 1 42 GLN HE21 . . 5.020 3.891 2.364 4.841 . 0 0 "[ . 1 . 2]" 1
295 1 15 ALA MB 1 42 GLN HE22 . . 5.160 4.449 3.643 5.043 . 0 0 "[ . 1 . 2]" 1
296 1 15 ALA MB 1 42 GLN QG . . 4.250 2.670 2.089 3.032 . 0 0 "[ . 1 . 2]" 1
297 1 16 MET H 1 16 MET HB2 . . 4.100 2.554 2.419 2.726 . 0 0 "[ . 1 . 2]" 1
298 1 16 MET H 1 16 MET HB3 . . 3.770 3.677 3.597 3.805 0.035 9 0 "[ . 1 . 2]" 1
299 1 16 MET H 1 16 MET HG2 . . 4.000 3.361 3.041 3.999 . 0 0 "[ . 1 . 2]" 1
300 1 16 MET H 1 16 MET HG3 . . 3.990 2.660 2.029 2.995 . 0 0 "[ . 1 . 2]" 1
301 1 16 MET H 1 17 SER H . . 4.500 4.442 4.085 4.570 0.070 10 0 "[ . 1 . 2]" 1
302 1 16 MET H 1 41 ASN HA . . 4.390 3.429 3.169 3.832 . 0 0 "[ . 1 . 2]" 1
303 1 16 MET H 1 41 ASN HB2 . . 4.910 2.899 1.875 3.901 . 0 0 "[ . 1 . 2]" 1
304 1 16 MET H 1 41 ASN HB3 . . 4.200 2.620 1.881 3.398 . 0 0 "[ . 1 . 2]" 1
305 1 16 MET H 1 41 ASN HD21 . . 5.430 3.903 3.426 4.495 . 0 0 "[ . 1 . 2]" 1
306 1 16 MET H 1 41 ASN HD22 . . 5.260 5.330 5.093 5.511 0.251 16 0 "[ . 1 . 2]" 1
307 1 16 MET H 1 42 GLN HA . . 4.520 3.496 3.122 3.797 . 0 0 "[ . 1 . 2]" 1
308 1 16 MET H 1 42 GLN HB3 . . 5.500 5.519 5.221 5.932 0.432 9 0 "[ . 1 . 2]" 1
309 1 16 MET H 1 42 GLN QG . . 4.830 3.650 3.280 4.021 . 0 0 "[ . 1 . 2]" 1
310 1 16 MET H 1 43 VAL MG1 . . 5.500 5.291 4.982 5.582 0.082 6 0 "[ . 1 . 2]" 1
311 1 16 MET H 1 95 MET ME . . 4.890 4.418 3.714 4.981 0.091 4 0 "[ . 1 . 2]" 1
312 1 16 MET HA 1 16 MET ME . . 4.890 4.628 4.476 4.803 . 0 0 "[ . 1 . 2]" 1
313 1 16 MET HA 1 16 MET HG2 . . 4.160 2.495 2.274 2.987 . 0 0 "[ . 1 . 2]" 1
314 1 16 MET HA 1 16 MET HG3 . . 4.080 3.359 2.884 3.553 . 0 0 "[ . 1 . 2]" 1
315 1 16 MET HA 1 17 SER H . . 2.850 2.649 2.321 2.920 0.070 13 0 "[ . 1 . 2]" 1
316 1 16 MET HA 1 17 SER HA . . 4.720 4.491 4.213 4.606 . 0 0 "[ . 1 . 2]" 1
317 1 16 MET HA 1 17 SER HB2 . . 4.810 4.357 3.887 5.444 0.634 15 1 "[ . 1 + 2]" 1
318 1 16 MET HA 1 17 SER HB3 . . 5.370 5.010 4.595 5.453 0.083 6 0 "[ . 1 . 2]" 1
319 1 16 MET HA 1 41 ASN HB3 . . 4.510 4.568 4.452 4.607 0.097 5 0 "[ . 1 . 2]" 1
320 1 16 MET HB2 1 16 MET ME . . 4.370 3.437 2.507 3.952 . 0 0 "[ . 1 . 2]" 1
321 1 16 MET HB2 1 17 SER H . . 3.790 3.102 2.607 3.528 . 0 0 "[ . 1 . 2]" 1
322 1 16 MET HB2 1 17 SER HA . . 5.500 4.685 4.407 5.114 . 0 0 "[ . 1 . 2]" 1
323 1 16 MET HB2 1 41 ASN HA . . 4.600 3.557 2.846 4.135 . 0 0 "[ . 1 . 2]" 1
324 1 16 MET HB2 1 41 ASN HB3 . . 5.290 3.935 3.173 4.344 . 0 0 "[ . 1 . 2]" 1
325 1 16 MET HB3 1 16 MET ME . . 4.420 3.532 2.621 4.019 . 0 0 "[ . 1 . 2]" 1
326 1 16 MET HB3 1 17 SER H . . 3.420 2.091 1.900 2.467 . 0 0 "[ . 1 . 2]" 1
327 1 16 MET HB3 1 17 SER HA . . 5.300 4.609 4.360 4.775 . 0 0 "[ . 1 . 2]" 1
328 1 16 MET HB3 1 17 SER HB3 . . 5.030 4.709 4.286 5.341 0.311 15 0 "[ . 1 . 2]" 1
329 1 16 MET HB3 1 98 THR MG . . 5.370 5.117 4.591 5.472 0.102 18 0 "[ . 1 . 2]" 1
330 1 16 MET ME 1 16 MET HG2 . . 3.560 2.790 2.169 3.397 . 0 0 "[ . 1 . 2]" 1
331 1 16 MET ME 1 16 MET HG3 . . 3.100 2.388 2.133 3.152 0.052 6 0 "[ . 1 . 2]" 1
332 1 16 MET ME 1 17 SER H . . 5.500 5.160 4.083 5.608 0.108 8 0 "[ . 1 . 2]" 1
333 1 16 MET ME 1 42 GLN HA . . 4.270 4.245 3.562 4.377 0.107 15 0 "[ . 1 . 2]" 1
334 1 16 MET ME 1 43 VAL H . . 4.920 4.239 3.672 4.802 . 0 0 "[ . 1 . 2]" 1
335 1 16 MET ME 1 43 VAL MG1 . . 3.940 3.088 2.545 3.405 . 0 0 "[ . 1 . 2]" 1
336 1 16 MET ME 1 43 VAL MG2 . . 3.730 2.448 1.917 2.984 . 0 0 "[ . 1 . 2]" 1
337 1 16 MET ME 1 95 MET HA . . 3.840 2.939 2.449 3.341 . 0 0 "[ . 1 . 2]" 1
338 1 16 MET ME 1 95 MET ME . . 4.070 3.858 3.298 4.205 0.135 6 0 "[ . 1 . 2]" 1
339 1 16 MET ME 1 95 MET HG2 . . 3.280 3.267 2.554 3.396 0.116 12 0 "[ . 1 . 2]" 1
340 1 16 MET ME 1 96 CYS H . . 5.390 4.400 4.050 4.620 . 0 0 "[ . 1 . 2]" 1
341 1 16 MET ME 1 96 CYS HA . . 5.300 3.634 2.935 4.221 . 0 0 "[ . 1 . 2]" 1
342 1 16 MET ME 1 98 THR H . . 4.530 4.227 3.829 4.494 . 0 0 "[ . 1 . 2]" 1
343 1 16 MET ME 1 98 THR HA . . 5.500 5.174 4.818 5.566 0.066 6 0 "[ . 1 . 2]" 1
344 1 16 MET ME 1 98 THR HB . . 3.470 2.958 2.485 3.381 . 0 0 "[ . 1 . 2]" 1
345 1 16 MET ME 1 98 THR MG . . 3.310 3.048 2.178 3.422 0.112 9 0 "[ . 1 . 2]" 1
346 1 16 MET ME 1 99 GLN H . . 3.570 2.757 2.362 3.218 . 0 0 "[ . 1 . 2]" 1
347 1 16 MET ME 1 99 GLN HA . . 3.790 3.477 3.119 3.897 0.107 6 0 "[ . 1 . 2]" 1
348 1 16 MET ME 1 99 GLN HB2 . . 2.880 2.697 2.040 2.999 0.119 10 0 "[ . 1 . 2]" 1
349 1 16 MET ME 1 99 GLN QE . . 5.020 4.186 3.459 4.665 . 0 0 "[ . 1 . 2]" 1
350 1 16 MET ME 1 99 GLN HG2 . . 5.100 2.315 1.825 3.242 . 0 0 "[ . 1 . 2]" 1
351 1 16 MET ME 1 102 LYS QD . . 4.070 3.693 3.325 4.191 0.121 11 0 "[ . 1 . 2]" 1
352 1 16 MET ME 1 102 LYS QE . . 4.040 3.918 2.861 4.157 0.117 14 0 "[ . 1 . 2]" 1
353 1 16 MET HG2 1 17 SER H . . 4.870 4.209 4.005 4.496 . 0 0 "[ . 1 . 2]" 1
354 1 16 MET HG2 1 42 GLN HA . . 5.000 5.066 4.734 5.798 0.798 14 1 "[ . 1 +. 2]" 1
355 1 16 MET HG3 1 17 SER H . . 4.880 4.754 4.588 4.940 0.060 12 0 "[ . 1 . 2]" 1
356 1 17 SER H 1 17 SER HB2 . . 3.370 2.867 2.537 3.205 . 0 0 "[ . 1 . 2]" 1
357 1 17 SER H 1 17 SER HB3 . . 3.120 2.793 2.373 3.191 0.071 15 0 "[ . 1 . 2]" 1
358 1 17 SER H 1 18 ARG H . . 4.580 4.394 4.159 4.617 0.037 5 0 "[ . 1 . 2]" 1
359 1 17 SER H 1 19 PRO HD3 . . 5.500 5.132 4.510 5.562 0.062 15 0 "[ . 1 . 2]" 1
360 1 17 SER HA 1 18 ARG H . . 2.830 2.570 2.290 2.810 . 0 0 "[ . 1 . 2]" 1
361 1 17 SER HA 1 18 ARG QG . . 5.050 4.505 3.490 5.050 0.000 8 0 "[ . 1 . 2]" 1
362 1 17 SER HA 1 19 PRO HD3 . . 5.500 5.567 5.475 5.587 0.087 16 0 "[ . 1 . 2]" 1
363 1 17 SER HA 1 41 ASN HA . . 5.170 5.031 4.208 5.256 0.086 5 0 "[ . 1 . 2]" 1
364 1 17 SER HB2 1 18 ARG H . . 3.970 3.707 2.394 4.019 0.049 6 0 "[ . 1 . 2]" 1
365 1 17 SER HB3 1 18 ARG H . . 4.120 3.082 2.603 3.866 . 0 0 "[ . 1 . 2]" 1
366 1 17 SER HB3 1 18 ARG HA . . 5.090 5.006 4.694 5.650 0.560 15 1 "[ . 1 + 2]" 1
367 1 18 ARG H 1 18 ARG HB2 . . 3.600 3.302 2.138 3.761 0.161 10 0 "[ . 1 . 2]" 1
368 1 18 ARG H 1 18 ARG QD . . 4.930 3.533 2.726 4.224 . 0 0 "[ . 1 . 2]" 1
369 1 18 ARG H 1 18 ARG QG . . 3.700 2.558 1.947 3.492 . 0 0 "[ . 1 . 2]" 1
370 1 18 ARG H 1 19 PRO HA . . 5.240 5.292 5.059 5.328 0.088 16 0 "[ . 1 . 2]" 1
371 1 18 ARG H 1 19 PRO HD2 . . 5.400 4.884 4.798 4.987 . 0 0 "[ . 1 . 2]" 1
372 1 18 ARG H 1 19 PRO HD3 . . 5.390 4.691 4.376 4.830 . 0 0 "[ . 1 . 2]" 1
373 1 18 ARG HA 1 18 ARG QD . . 5.090 4.174 2.250 4.682 . 0 0 "[ . 1 . 2]" 1
374 1 18 ARG HA 1 19 PRO HD2 . . 3.490 2.163 2.051 2.297 . 0 0 "[ . 1 . 2]" 1
375 1 18 ARG HA 1 19 PRO HD3 . . 3.370 2.394 2.137 2.645 . 0 0 "[ . 1 . 2]" 1
376 1 18 ARG HA 1 91 VAL QG . . 5.040 3.358 2.909 4.375 . 0 0 "[ . 1 . 2]" 1
377 1 18 ARG HB2 1 18 ARG HE . . 5.180 3.986 3.067 4.769 . 0 0 "[ . 1 . 2]" 1
378 1 18 ARG HB3 1 18 ARG HE . . 5.040 3.459 2.091 5.143 0.103 6 0 "[ . 1 . 2]" 1
379 1 18 ARG QD 1 36 MET HB3 . . 5.060 4.143 3.534 4.916 . 0 0 "[ . 1 . 2]" 1
380 1 18 ARG QD 1 36 MET ME . . 4.010 2.918 1.833 3.704 . 0 0 "[ . 1 . 2]" 1
381 1 18 ARG QD 1 37 TYR HA . . 5.290 3.624 2.805 4.530 . 0 0 "[ . 1 . 2]" 1
382 1 18 ARG QG 1 36 MET ME . . 3.270 2.879 1.946 3.397 0.127 16 0 "[ . 1 . 2]" 1
383 1 18 ARG QG 1 91 VAL QG . . 4.570 4.369 3.249 4.610 0.040 7 0 "[ . 1 . 2]" 1
384 1 19 PRO HA 1 20 MET H . . 2.780 2.494 2.216 2.768 . 0 0 "[ . 1 . 2]" 1
385 1 19 PRO HA 1 20 MET HB2 . . 4.790 4.493 3.864 4.825 0.035 3 0 "[ . 1 . 2]" 1
386 1 19 PRO HA 1 20 MET ME . . 5.320 5.228 4.573 5.429 0.109 5 0 "[ . 1 . 2]" 1
387 1 19 PRO HB2 1 20 MET H . . 3.920 2.845 2.309 3.554 . 0 0 "[ . 1 . 2]" 1
388 1 19 PRO HB2 1 21 ILE MD . . 3.780 3.404 2.460 3.680 . 0 0 "[ . 1 . 2]" 1
389 1 19 PRO HB2 1 21 ILE HG12 . . 4.640 3.024 2.614 3.626 . 0 0 "[ . 1 . 2]" 1
390 1 19 PRO HB2 1 21 ILE HG13 . . 4.800 3.727 3.207 4.875 0.075 1 0 "[ . 1 . 2]" 1
391 1 19 PRO HB2 1 21 ILE MG . . 5.500 5.048 4.643 5.302 . 0 0 "[ . 1 . 2]" 1
392 1 19 PRO HB2 1 91 VAL HA . . 5.470 4.668 4.179 5.088 . 0 0 "[ . 1 . 2]" 1
393 1 19 PRO HB2 1 91 VAL QG . . 4.320 4.279 3.942 4.359 0.039 14 0 "[ . 1 . 2]" 1
394 1 19 PRO HB2 1 94 GLN HE21 . . 5.500 5.469 4.420 5.580 0.080 16 0 "[ . 1 . 2]" 1
395 1 19 PRO HB2 1 94 GLN HE22 . . 5.420 5.258 4.475 5.503 0.083 17 0 "[ . 1 . 2]" 1
396 1 19 PRO HB2 1 94 GLN HG2 . . 5.330 4.682 4.237 5.036 . 0 0 "[ . 1 . 2]" 1
397 1 19 PRO HB2 1 94 GLN HG3 . . 4.910 3.167 2.501 3.890 . 0 0 "[ . 1 . 2]" 1
398 1 19 PRO HB3 1 20 MET H . . 3.990 3.609 3.101 4.016 0.026 11 0 "[ . 1 . 2]" 1
399 1 19 PRO HB3 1 21 ILE MD . . 5.010 4.553 3.766 4.916 . 0 0 "[ . 1 . 2]" 1
400 1 19 PRO HB3 1 21 ILE HG12 . . 5.420 4.755 4.402 5.276 . 0 0 "[ . 1 . 2]" 1
401 1 19 PRO HD2 1 91 VAL QG . . 3.950 2.142 1.971 3.050 . 0 0 "[ . 1 . 2]" 1
402 1 19 PRO HD2 1 95 MET HG3 . . 5.060 4.067 2.965 4.856 . 0 0 "[ . 1 . 2]" 1
403 1 19 PRO HD3 1 91 VAL QG . . 4.740 3.127 2.776 4.052 . 0 0 "[ . 1 . 2]" 1
404 1 19 PRO HD3 1 95 MET ME . . 4.840 4.742 4.194 4.943 0.103 3 0 "[ . 1 . 2]" 1
405 1 19 PRO HD3 1 95 MET HG2 . . 5.020 3.597 2.467 4.381 . 0 0 "[ . 1 . 2]" 1
406 1 19 PRO HD3 1 95 MET HG3 . . 5.110 2.947 2.327 3.723 . 0 0 "[ . 1 . 2]" 1
407 1 19 PRO QG 1 20 MET H . . 5.130 4.323 3.815 4.792 . 0 0 "[ . 1 . 2]" 1
408 1 19 PRO QG 1 21 ILE MD . . 3.930 2.369 2.141 2.912 . 0 0 "[ . 1 . 2]" 1
409 1 19 PRO QG 1 21 ILE HG12 . . 4.840 3.347 2.953 3.874 . 0 0 "[ . 1 . 2]" 1
410 1 19 PRO QG 1 21 ILE HG13 . . 4.920 3.248 2.482 4.199 . 0 0 "[ . 1 . 2]" 1
411 1 19 PRO QG 1 21 ILE MG . . 5.200 4.888 4.592 5.295 0.095 10 0 "[ . 1 . 2]" 1
412 1 19 PRO QG 1 91 VAL HA . . 4.470 2.557 2.252 2.966 . 0 0 "[ . 1 . 2]" 1
413 1 19 PRO QG 1 91 VAL QG . . 3.900 2.270 2.091 2.542 . 0 0 "[ . 1 . 2]" 1
414 1 19 PRO QG 1 95 MET H . . 5.210 3.657 2.970 4.563 . 0 0 "[ . 1 . 2]" 1
415 1 19 PRO QG 1 95 MET HG3 . . 4.290 2.998 2.282 3.976 . 0 0 "[ . 1 . 2]" 1
416 1 20 MET H 1 20 MET HB2 . . 3.390 2.386 2.066 2.816 . 0 0 "[ . 1 . 2]" 1
417 1 20 MET H 1 20 MET ME . . 4.660 4.326 3.768 4.626 . 0 0 "[ . 1 . 2]" 1
418 1 20 MET H 1 20 MET HG2 . . 4.170 3.816 3.164 4.623 0.453 15 0 "[ . 1 . 2]" 1
419 1 20 MET H 1 20 MET HG3 . . 4.570 4.275 3.865 4.622 0.052 1 0 "[ . 1 . 2]" 1
420 1 20 MET H 1 21 ILE H . . 4.790 4.403 3.761 4.592 . 0 0 "[ . 1 . 2]" 1
421 1 20 MET H 1 21 ILE MD . . 5.340 5.152 4.586 5.427 0.087 18 0 "[ . 1 . 2]" 1
422 1 20 MET HA 1 20 MET ME . . 3.900 2.038 1.938 2.363 . 0 0 "[ . 1 . 2]" 1
423 1 20 MET HA 1 21 ILE H . . 3.310 2.231 2.113 2.366 . 0 0 "[ . 1 . 2]" 1
424 1 20 MET HA 1 21 ILE MD . . 5.500 4.966 4.584 5.417 . 0 0 "[ . 1 . 2]" 1
425 1 20 MET HA 1 21 ILE HG12 . . 5.350 4.216 3.685 4.657 . 0 0 "[ . 1 . 2]" 1
426 1 20 MET HA 1 21 ILE HG13 . . 5.260 3.653 3.118 5.315 0.055 1 0 "[ . 1 . 2]" 1
427 1 20 MET HB3 1 21 ILE H . . 4.620 3.444 2.946 4.476 . 0 0 "[ . 1 . 2]" 1
428 1 20 MET ME 1 20 MET HG2 . . 3.410 2.980 2.331 3.467 0.057 18 0 "[ . 1 . 2]" 1
429 1 20 MET ME 1 20 MET HG3 . . 3.110 2.821 2.127 3.475 0.365 2 0 "[ . 1 . 2]" 1
430 1 20 MET ME 1 21 ILE H . . 4.550 2.954 2.085 3.769 . 0 0 "[ . 1 . 2]" 1
431 1 20 MET ME 1 32 TYR QD . . 4.240 3.355 2.963 4.119 . 0 0 "[ . 1 . 2]" 1
432 1 20 MET ME 1 32 TYR QE . . 4.450 2.451 2.099 3.311 . 0 0 "[ . 1 . 2]" 1
433 1 20 MET ME 1 33 ARG H . . 5.160 5.132 4.929 5.261 0.101 17 0 "[ . 1 . 2]" 1
434 1 20 MET ME 1 33 ARG HA . . 4.250 4.212 3.962 4.357 0.107 17 0 "[ . 1 . 2]" 1
435 1 20 MET ME 1 33 ARG QD . . 4.440 3.337 2.555 3.984 . 0 0 "[ . 1 . 2]" 1
436 1 20 MET ME 1 33 ARG HE . . 5.500 3.909 2.408 5.445 . 0 0 "[ . 1 . 2]" 1
437 1 20 MET ME 1 33 ARG HG3 . . 3.380 3.183 2.614 3.444 0.064 12 0 "[ . 1 . 2]" 1
438 1 20 MET HG3 1 21 ILE H . . 4.760 4.437 2.306 5.607 0.847 17 6 "[ - . 1 **.*+ *2]" 1
439 1 21 ILE H 1 21 ILE HB . . 3.670 2.901 2.590 3.016 . 0 0 "[ . 1 . 2]" 1
440 1 21 ILE H 1 21 ILE MD . . 4.740 4.260 3.504 4.519 . 0 0 "[ . 1 . 2]" 1
441 1 21 ILE H 1 21 ILE HG12 . . 4.160 3.462 2.157 3.828 . 0 0 "[ . 1 . 2]" 1
442 1 21 ILE H 1 21 ILE HG13 . . 4.130 2.900 2.017 3.525 . 0 0 "[ . 1 . 2]" 1
443 1 21 ILE H 1 21 ILE MG . . 4.550 3.963 3.773 4.025 . 0 0 "[ . 1 . 2]" 1
444 1 21 ILE H 1 22 HIS H . . 4.940 4.120 3.831 4.558 . 0 0 "[ . 1 . 2]" 1
445 1 21 ILE H 1 32 TYR QD . . 4.950 3.626 3.097 4.109 . 0 0 "[ . 1 . 2]" 1
446 1 21 ILE H 1 32 TYR QE . . 3.190 2.961 2.446 3.267 0.077 3 0 "[ . 1 . 2]" 1
447 1 21 ILE HA 1 21 ILE MD . . 3.770 3.721 2.485 3.872 0.102 5 0 "[ . 1 . 2]" 1
448 1 21 ILE HA 1 21 ILE HG13 . . 3.760 3.505 3.373 3.849 0.089 1 0 "[ . 1 . 2]" 1
449 1 21 ILE HA 1 21 ILE MG . . 3.540 2.304 2.208 2.403 . 0 0 "[ . 1 . 2]" 1
450 1 21 ILE HA 1 22 HIS H . . 2.830 2.181 1.997 2.520 . 0 0 "[ . 1 . 2]" 1
451 1 21 ILE HA 1 22 HIS HA . . 4.750 4.454 4.381 4.589 . 0 0 "[ . 1 . 2]" 1
452 1 21 ILE HA 1 22 HIS QB . . 4.910 4.292 4.086 4.672 . 0 0 "[ . 1 . 2]" 1
453 1 21 ILE HA 1 22 HIS HD2 . . 4.020 3.617 2.923 4.100 0.080 18 0 "[ . 1 . 2]" 1
454 1 21 ILE HB 1 22 HIS H . . 4.210 4.079 3.484 4.274 0.064 7 0 "[ . 1 . 2]" 1
455 1 21 ILE HB 1 23 PHE QD . . 4.440 3.541 2.906 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 21 ILE HB 1 23 PHE QE . . 3.400 2.386 2.207 2.763 . 0 0 "[ . 1 . 2]" 1
457 1 21 ILE HB 1 23 PHE HZ . . 4.260 3.944 3.359 4.323 0.063 5 0 "[ . 1 . 2]" 1
458 1 21 ILE HB 1 32 TYR QE . . 5.500 3.857 3.351 4.537 . 0 0 "[ . 1 . 2]" 1
459 1 21 ILE MD 1 21 ILE MG . . 3.420 2.024 1.973 2.074 . 0 0 "[ . 1 . 2]" 1
460 1 21 ILE MD 1 22 HIS H . . 5.130 5.141 4.140 5.245 0.115 2 0 "[ . 1 . 2]" 1
461 1 21 ILE MD 1 23 PHE QE . . 3.900 3.463 3.200 3.996 0.096 1 0 "[ . 1 . 2]" 1
462 1 21 ILE MD 1 23 PHE HZ . . 3.670 3.357 2.860 3.772 0.102 1 0 "[ . 1 . 2]" 1
463 1 21 ILE MD 1 32 TYR QE . . 4.120 3.174 2.719 3.838 . 0 0 "[ . 1 . 2]" 1
464 1 21 ILE MD 1 90 ARG H . . 5.500 4.429 3.975 4.870 . 0 0 "[ . 1 . 2]" 1
465 1 21 ILE MD 1 90 ARG HA . . 4.850 3.876 3.626 4.174 . 0 0 "[ . 1 . 2]" 1
466 1 21 ILE MD 1 90 ARG HB2 . . 4.830 2.810 2.275 3.409 . 0 0 "[ . 1 . 2]" 1
467 1 21 ILE MD 1 90 ARG HB3 . . 3.860 2.074 1.949 2.209 . 0 0 "[ . 1 . 2]" 1
468 1 21 ILE MD 1 90 ARG QD . . 5.210 3.405 2.342 4.420 . 0 0 "[ . 1 . 2]" 1
469 1 21 ILE MD 1 90 ARG HE . . 5.500 4.963 3.832 5.609 0.109 4 0 "[ . 1 . 2]" 1
470 1 21 ILE MD 1 90 ARG HG2 . . 4.970 4.224 3.233 4.668 . 0 0 "[ . 1 . 2]" 1
471 1 21 ILE MD 1 90 ARG HG3 . . 4.950 3.967 3.595 4.363 . 0 0 "[ . 1 . 2]" 1
472 1 21 ILE MD 1 91 VAL H . . 4.170 3.237 2.851 3.722 . 0 0 "[ . 1 . 2]" 1
473 1 21 ILE MD 1 91 VAL HA . . 3.460 2.253 2.025 2.534 . 0 0 "[ . 1 . 2]" 1
474 1 21 ILE MD 1 91 VAL HB . . 4.150 3.283 2.923 3.842 . 0 0 "[ . 1 . 2]" 1
475 1 21 ILE MD 1 91 VAL QG . . 3.890 2.512 2.160 2.930 . 0 0 "[ . 1 . 2]" 1
476 1 21 ILE MD 1 94 GLN H . . 4.800 4.112 3.694 4.531 . 0 0 "[ . 1 . 2]" 1
477 1 21 ILE MD 1 94 GLN HB2 . . 4.630 3.462 2.844 4.060 . 0 0 "[ . 1 . 2]" 1
478 1 21 ILE MD 1 94 GLN HE21 . . 5.160 4.625 3.901 5.199 0.039 13 0 "[ . 1 . 2]" 1
479 1 21 ILE MD 1 94 GLN HE22 . . 5.280 5.156 4.591 5.376 0.096 11 0 "[ . 1 . 2]" 1
480 1 21 ILE MD 1 94 GLN HG2 . . 4.330 3.303 2.852 3.812 . 0 0 "[ . 1 . 2]" 1
481 1 21 ILE MD 1 94 GLN HG3 . . 4.410 2.354 2.034 2.784 . 0 0 "[ . 1 . 2]" 1
482 1 21 ILE HG12 1 22 HIS H . . 4.940 4.768 4.599 5.030 0.090 1 0 "[ . 1 . 2]" 1
483 1 21 ILE HG12 1 23 PHE QE . . 5.500 5.100 3.685 5.408 . 0 0 "[ . 1 . 2]" 1
484 1 21 ILE HG12 1 32 TYR QE . . 4.490 4.419 3.302 4.580 0.090 3 0 "[ . 1 . 2]" 1
485 1 21 ILE HG12 1 91 VAL HA . . 5.080 4.607 4.290 4.805 . 0 0 "[ . 1 . 2]" 1
486 1 21 ILE HG12 1 91 VAL QG . . 4.960 4.364 3.963 4.661 . 0 0 "[ . 1 . 2]" 1
487 1 21 ILE HG13 1 22 HIS H . . 5.500 5.350 5.102 5.491 . 0 0 "[ . 1 . 2]" 1
488 1 21 ILE HG13 1 32 TYR QD . . 4.220 4.226 3.765 4.309 0.089 17 0 "[ . 1 . 2]" 1
489 1 21 ILE HG13 1 32 TYR QE . . 4.210 3.085 2.789 3.557 . 0 0 "[ . 1 . 2]" 1
490 1 21 ILE HG13 1 90 ARG HB3 . . 5.500 4.802 3.724 5.114 . 0 0 "[ . 1 . 2]" 1
491 1 21 ILE HG13 1 91 VAL HA . . 5.370 4.471 4.095 4.884 . 0 0 "[ . 1 . 2]" 1
492 1 21 ILE HG13 1 91 VAL QG . . 5.500 3.623 3.098 4.047 . 0 0 "[ . 1 . 2]" 1
493 1 21 ILE MG 1 22 HIS H . . 3.540 2.761 2.100 3.057 . 0 0 "[ . 1 . 2]" 1
494 1 21 ILE MG 1 22 HIS HA . . 5.410 4.234 3.757 4.510 . 0 0 "[ . 1 . 2]" 1
495 1 21 ILE MG 1 22 HIS QB . . 5.500 4.725 4.434 4.946 . 0 0 "[ . 1 . 2]" 1
496 1 21 ILE MG 1 23 PHE H . . 5.280 2.887 2.201 3.668 . 0 0 "[ . 1 . 2]" 1
497 1 21 ILE MG 1 23 PHE HA . . 4.980 3.462 2.993 3.820 . 0 0 "[ . 1 . 2]" 1
498 1 21 ILE MG 1 23 PHE HB3 . . 5.500 4.807 4.483 5.142 . 0 0 "[ . 1 . 2]" 1
499 1 21 ILE MG 1 23 PHE QD . . 3.750 3.147 2.852 3.442 . 0 0 "[ . 1 . 2]" 1
500 1 21 ILE MG 1 23 PHE QE . . 3.360 2.842 2.657 3.103 . 0 0 "[ . 1 . 2]" 1
501 1 21 ILE MG 1 23 PHE HZ . . 3.640 3.035 2.654 3.406 . 0 0 "[ . 1 . 2]" 1
502 1 21 ILE MG 1 32 TYR QD . . 5.500 4.726 4.457 4.991 . 0 0 "[ . 1 . 2]" 1
503 1 21 ILE MG 1 32 TYR QE . . 5.500 4.735 4.405 5.110 . 0 0 "[ . 1 . 2]" 1
504 1 21 ILE MG 1 90 ARG H . . 5.500 5.456 4.879 5.590 0.090 18 0 "[ . 1 . 2]" 1
505 1 21 ILE MG 1 90 ARG HB2 . . 4.860 3.429 2.614 3.895 . 0 0 "[ . 1 . 2]" 1
506 1 21 ILE MG 1 90 ARG HB3 . . 4.820 2.624 2.363 2.881 . 0 0 "[ . 1 . 2]" 1
507 1 21 ILE MG 1 90 ARG QD . . 4.890 2.968 2.130 3.971 . 0 0 "[ . 1 . 2]" 1
508 1 21 ILE MG 1 90 ARG HE . . 5.300 4.263 2.662 5.012 . 0 0 "[ . 1 . 2]" 1
509 1 21 ILE MG 1 90 ARG HG2 . . 4.980 3.938 2.498 4.803 . 0 0 "[ . 1 . 2]" 1
510 1 21 ILE MG 1 90 ARG HG3 . . 4.460 3.534 2.993 4.001 . 0 0 "[ . 1 . 2]" 1
511 1 21 ILE MG 1 91 VAL HA . . 5.170 5.033 4.805 5.243 0.073 1 0 "[ . 1 . 2]" 1
512 1 21 ILE MG 1 91 VAL QG . . 5.220 4.836 4.264 5.072 . 0 0 "[ . 1 . 2]" 1
513 1 21 ILE MG 1 94 GLN HE21 . . 5.500 5.041 4.241 5.585 0.085 12 0 "[ . 1 . 2]" 1
514 1 21 ILE MG 1 94 GLN HE22 . . 5.500 5.178 4.563 5.586 0.086 11 0 "[ . 1 . 2]" 1
515 1 21 ILE MG 1 94 GLN HG2 . . 5.500 4.534 4.187 4.899 . 0 0 "[ . 1 . 2]" 1
516 1 21 ILE MG 1 94 GLN HG3 . . 5.500 3.936 3.441 4.468 . 0 0 "[ . 1 . 2]" 1
517 1 22 HIS H 1 22 HIS QB . . 3.520 2.778 2.364 3.222 . 0 0 "[ . 1 . 2]" 1
518 1 22 HIS H 1 22 HIS HD2 . . 3.770 2.554 1.996 3.453 . 0 0 "[ . 1 . 2]" 1
519 1 22 HIS H 1 23 PHE H . . 4.880 2.999 1.785 3.848 . 0 0 "[ . 1 . 2]" 1
520 1 22 HIS H 1 23 PHE QD . . 4.820 4.497 3.674 4.900 0.080 16 0 "[ . 1 . 2]" 1
521 1 22 HIS H 1 23 PHE QE . . 5.500 5.396 4.875 5.589 0.089 19 0 "[ . 1 . 2]" 1
522 1 22 HIS HA 1 23 PHE H . . 3.370 2.624 2.027 3.423 0.053 4 0 "[ . 1 . 2]" 1
523 1 22 HIS HA 1 23 PHE QD . . 3.700 3.537 3.080 3.797 0.097 1 0 "[ . 1 . 2]" 1
524 1 22 HIS QB 1 22 HIS HD2 . . 3.380 2.922 2.466 3.220 . 0 0 "[ . 1 . 2]" 1
525 1 22 HIS QB 1 23 PHE H . . 4.640 3.745 2.968 4.011 . 0 0 "[ . 1 . 2]" 1
526 1 22 HIS QB 1 24 GLY H . . 4.930 4.392 3.346 4.780 . 0 0 "[ . 1 . 2]" 1
527 1 22 HIS HD2 1 23 PHE H . . 4.850 4.712 2.978 4.934 0.084 1 0 "[ . 1 . 2]" 1
528 1 23 PHE H 1 23 PHE HB2 . . 3.950 2.855 2.363 3.570 . 0 0 "[ . 1 . 2]" 1
529 1 23 PHE H 1 23 PHE HB3 . . 4.040 3.712 3.507 4.078 0.038 4 0 "[ . 1 . 2]" 1
530 1 23 PHE H 1 23 PHE QD . . 3.080 2.333 1.754 3.149 0.069 14 0 "[ . 1 . 2]" 1
531 1 23 PHE H 1 23 PHE QE . . 5.500 4.190 3.865 4.730 . 0 0 "[ . 1 . 2]" 1
532 1 23 PHE H 1 24 GLY H . . 3.930 3.357 2.634 4.025 0.095 11 0 "[ . 1 . 2]" 1
533 1 23 PHE H 1 29 ASP HA . . 5.500 4.653 3.772 5.569 0.069 4 0 "[ . 1 . 2]" 1
534 1 23 PHE HA 1 23 PHE QD . . 3.270 3.097 2.824 3.336 0.066 11 0 "[ . 1 . 2]" 1
535 1 23 PHE HA 1 25 ASN H . . 5.160 4.917 4.416 5.228 0.068 12 0 "[ . 1 . 2]" 1
536 1 23 PHE HB2 1 24 GLY H . . 4.340 2.297 1.892 2.810 . 0 0 "[ . 1 . 2]" 1
537 1 23 PHE HB2 1 25 ASN H . . 4.840 3.129 2.585 3.608 . 0 0 "[ . 1 . 2]" 1
538 1 23 PHE HB2 1 25 ASN HD21 . . 5.500 3.950 3.332 5.503 0.003 11 0 "[ . 1 . 2]" 1
539 1 23 PHE HB2 1 28 GLU HB2 . . 4.350 2.424 2.275 2.656 . 0 0 "[ . 1 . 2]" 1
540 1 23 PHE HB2 1 28 GLU HB3 . . 4.490 2.926 2.487 4.070 . 0 0 "[ . 1 . 2]" 1
541 1 23 PHE HB2 1 29 ASP H . . 5.500 3.669 2.942 4.082 . 0 0 "[ . 1 . 2]" 1
542 1 23 PHE HB3 1 24 GLY H . . 3.910 3.128 2.563 3.750 . 0 0 "[ . 1 . 2]" 1
543 1 23 PHE HB3 1 25 ASN H . . 4.200 3.321 2.807 3.739 . 0 0 "[ . 1 . 2]" 1
544 1 23 PHE HB3 1 25 ASN QB . . 5.240 4.607 3.684 5.293 0.053 12 0 "[ . 1 . 2]" 1
545 1 23 PHE HB3 1 25 ASN HD21 . . 5.500 3.420 2.814 5.046 . 0 0 "[ . 1 . 2]" 1
546 1 23 PHE HB3 1 28 GLU HB2 . . 4.220 3.226 2.517 3.696 . 0 0 "[ . 1 . 2]" 1
547 1 23 PHE HB3 1 28 GLU HB3 . . 4.480 3.454 2.935 4.267 . 0 0 "[ . 1 . 2]" 1
548 1 23 PHE HB3 1 29 ASP H . . 5.310 5.177 4.192 5.574 0.264 3 0 "[ . 1 . 2]" 1
549 1 23 PHE QD 1 24 GLY H . . 4.160 4.070 3.842 4.220 0.060 18 0 "[ . 1 . 2]" 1
550 1 23 PHE QD 1 25 ASN HD21 . . 5.140 4.632 4.259 5.411 0.271 11 0 "[ . 1 . 2]" 1
551 1 23 PHE QD 1 25 ASN HD22 . . 5.340 5.351 3.924 5.447 0.107 17 0 "[ . 1 . 2]" 1
552 1 23 PHE QD 1 28 GLU HB2 . . 4.200 3.647 3.266 3.927 . 0 0 "[ . 1 . 2]" 1
553 1 23 PHE QD 1 28 GLU HB3 . . 4.080 3.131 2.919 4.093 0.013 12 0 "[ . 1 . 2]" 1
554 1 23 PHE QD 1 29 ASP H . . 4.070 4.058 3.544 4.158 0.088 20 0 "[ . 1 . 2]" 1
555 1 23 PHE QD 1 29 ASP HA . . 3.100 3.047 2.709 3.195 0.095 20 0 "[ . 1 . 2]" 1
556 1 23 PHE QD 1 29 ASP HB2 . . 4.700 4.051 3.087 4.681 . 0 0 "[ . 1 . 2]" 1
557 1 23 PHE QD 1 87 MET ME . . 3.950 3.799 3.411 4.042 0.092 17 0 "[ . 1 . 2]" 1
558 1 23 PHE QE 1 29 ASP HA . . 4.140 4.062 3.481 4.228 0.088 13 0 "[ . 1 . 2]" 1
559 1 23 PHE QE 1 32 TYR HB2 . . 3.620 2.750 2.349 3.457 . 0 0 "[ . 1 . 2]" 1
560 1 23 PHE QE 1 32 TYR HB3 . . 4.750 3.541 3.042 3.973 . 0 0 "[ . 1 . 2]" 1
561 1 23 PHE QE 1 32 TYR QD . . 3.590 3.368 3.070 3.650 0.060 20 0 "[ . 1 . 2]" 1
562 1 23 PHE QE 1 87 MET HA . . 3.770 3.420 2.786 3.851 0.081 11 0 "[ . 1 . 2]" 1
563 1 23 PHE QE 1 87 MET HB3 . . 5.030 4.476 3.867 4.969 . 0 0 "[ . 1 . 2]" 1
564 1 23 PHE QE 1 87 MET ME . . 3.680 3.496 3.010 3.757 0.077 20 0 "[ . 1 . 2]" 1
565 1 23 PHE QE 1 87 MET HG2 . . 5.120 4.544 2.894 5.192 0.072 14 0 "[ . 1 . 2]" 1
566 1 23 PHE QE 1 90 ARG HB3 . . 4.940 4.243 3.596 4.711 . 0 0 "[ . 1 . 2]" 1
567 1 23 PHE QE 1 90 ARG QD . . 4.600 3.091 2.112 3.990 . 0 0 "[ . 1 . 2]" 1
568 1 23 PHE QE 1 90 ARG HG2 . . 3.720 3.574 2.861 4.000 0.280 3 0 "[ . 1 . 2]" 1
569 1 23 PHE QE 1 90 ARG HG3 . . 4.660 2.972 2.147 4.735 0.075 15 0 "[ . 1 . 2]" 1
570 1 23 PHE HZ 1 32 TYR QD . . 4.150 3.937 3.190 4.241 0.091 20 0 "[ . 1 . 2]" 1
571 1 23 PHE HZ 1 87 MET HA . . 3.810 2.664 2.131 3.212 . 0 0 "[ . 1 . 2]" 1
572 1 23 PHE HZ 1 87 MET HB3 . . 4.300 3.734 2.737 4.368 0.068 11 0 "[ . 1 . 2]" 1
573 1 23 PHE HZ 1 87 MET ME . . 4.080 3.847 3.221 4.175 0.095 18 0 "[ . 1 . 2]" 1
574 1 23 PHE HZ 1 87 MET HG2 . . 5.110 4.349 2.661 5.080 . 0 0 "[ . 1 . 2]" 1
575 1 23 PHE HZ 1 87 MET HG3 . . 5.500 4.946 4.299 5.363 . 0 0 "[ . 1 . 2]" 1
576 1 23 PHE HZ 1 90 ARG HB2 . . 4.850 2.874 2.508 3.184 . 0 0 "[ . 1 . 2]" 1
577 1 23 PHE HZ 1 90 ARG QD . . 4.670 3.641 2.642 4.382 . 0 0 "[ . 1 . 2]" 1
578 1 23 PHE HZ 1 90 ARG HG2 . . 5.420 4.075 3.342 5.157 . 0 0 "[ . 1 . 2]" 1
579 1 23 PHE HZ 1 90 ARG HG3 . . 5.190 3.423 2.050 5.259 0.069 6 0 "[ . 1 . 2]" 1
580 1 24 GLY H 1 25 ASN H . . 3.180 2.413 1.788 2.848 . 0 0 "[ . 1 . 2]" 1
581 1 24 GLY H 1 25 ASN HA . . 4.650 4.597 4.243 4.724 0.074 16 0 "[ . 1 . 2]" 1
582 1 24 GLY H 1 25 ASN HD22 . . 5.500 5.507 4.776 5.588 0.088 2 0 "[ . 1 . 2]" 1
583 1 24 GLY H 1 29 ASP H . . 5.300 4.416 4.079 4.953 . 0 0 "[ . 1 . 2]" 1
584 1 24 GLY H 1 29 ASP HB2 . . 5.160 4.110 3.532 4.804 . 0 0 "[ . 1 . 2]" 1
585 1 24 GLY HA2 1 25 ASN HA . . 4.980 4.694 4.254 4.888 . 0 0 "[ . 1 . 2]" 1
586 1 25 ASN H 1 25 ASN QB . . 3.710 2.692 2.463 2.944 . 0 0 "[ . 1 . 2]" 1
587 1 25 ASN H 1 25 ASN HD21 . . 4.740 2.537 2.072 4.066 . 0 0 "[ . 1 . 2]" 1
588 1 25 ASN H 1 25 ASN HD22 . . 4.810 3.463 3.036 4.299 . 0 0 "[ . 1 . 2]" 1
589 1 25 ASN H 1 26 ASP H . . 4.740 4.498 3.824 4.672 . 0 0 "[ . 1 . 2]" 1
590 1 25 ASN H 1 26 ASP HA . . 5.500 5.324 4.456 5.570 0.070 8 0 "[ . 1 . 2]" 1
591 1 25 ASN H 1 28 GLU H . . 5.200 4.358 3.891 4.648 . 0 0 "[ . 1 . 2]" 1
592 1 25 ASN H 1 28 GLU HB2 . . 4.650 3.347 2.760 4.395 . 0 0 "[ . 1 . 2]" 1
593 1 25 ASN H 1 28 GLU HB3 . . 5.270 4.813 4.283 5.370 0.100 12 0 "[ . 1 . 2]" 1
594 1 25 ASN H 1 28 GLU QG . . 5.500 4.055 3.476 4.320 . 0 0 "[ . 1 . 2]" 1
595 1 25 ASN H 1 29 ASP H . . 4.910 4.588 3.432 4.972 0.062 11 0 "[ . 1 . 2]" 1
596 1 25 ASN HA 1 25 ASN HD22 . . 5.030 4.706 4.431 5.248 0.218 11 0 "[ . 1 . 2]" 1
597 1 25 ASN HA 1 26 ASP H . . 2.900 2.271 2.142 2.984 0.084 12 0 "[ . 1 . 2]" 1
598 1 25 ASN HA 1 26 ASP QB . . 4.360 4.150 3.960 4.420 0.060 3 0 "[ . 1 . 2]" 1
599 1 25 ASN HA 1 27 TRP H . . 4.900 3.930 3.595 4.829 . 0 0 "[ . 1 . 2]" 1
600 1 25 ASN QB 1 25 ASN HD22 . . 3.550 3.321 3.027 3.406 . 0 0 "[ . 1 . 2]" 1
601 1 25 ASN QB 1 26 ASP H . . 3.810 2.923 1.824 3.431 . 0 0 "[ . 1 . 2]" 1
602 1 25 ASN QB 1 27 TRP H . . 4.570 2.575 2.303 2.897 . 0 0 "[ . 1 . 2]" 1
603 1 25 ASN QB 1 27 TRP QB . . 5.220 3.939 3.651 4.218 . 0 0 "[ . 1 . 2]" 1
604 1 25 ASN QB 1 27 TRP HE1 . . 5.440 2.688 2.380 3.048 . 0 0 "[ . 1 . 2]" 1
605 1 25 ASN QB 1 28 GLU H . . 4.410 2.181 1.953 2.700 . 0 0 "[ . 1 . 2]" 1
606 1 25 ASN QB 1 28 GLU HB2 . . 4.480 2.750 2.195 4.573 0.093 12 0 "[ . 1 . 2]" 1
607 1 25 ASN QB 1 28 GLU HB3 . . 4.760 4.198 3.727 4.847 0.087 11 0 "[ . 1 . 2]" 1
608 1 25 ASN QB 1 28 GLU QG . . 5.110 2.337 2.121 2.909 . 0 0 "[ . 1 . 2]" 1
609 1 25 ASN HB3 1 27 TRP HD1 . . 3.990 2.748 2.491 3.836 . 0 0 "[ . 1 . 2]" 1
610 1 25 ASN HD21 1 27 TRP H . . 5.500 5.532 5.339 5.576 0.076 7 0 "[ . 1 . 2]" 1
611 1 25 ASN HD21 1 28 GLU H . . 5.160 4.063 3.824 4.769 . 0 0 "[ . 1 . 2]" 1
612 1 25 ASN HD21 1 28 GLU HB2 . . 4.810 3.183 2.674 4.562 . 0 0 "[ . 1 . 2]" 1
613 1 25 ASN HD21 1 28 GLU HB3 . . 5.500 4.209 3.769 5.612 0.112 11 0 "[ . 1 . 2]" 1
614 1 25 ASN HD21 1 28 GLU QG . . 5.150 2.465 2.044 3.037 . 0 0 "[ . 1 . 2]" 1
615 1 25 ASN HD22 1 27 TRP HH2 . . 5.500 4.966 3.629 5.383 . 0 0 "[ . 1 . 2]" 1
616 1 25 ASN HD22 1 27 TRP HZ2 . . 3.480 3.509 3.291 3.555 0.075 16 0 "[ . 1 . 2]" 1
617 1 25 ASN HD22 1 28 GLU H . . 5.380 5.367 4.315 5.459 0.079 16 0 "[ . 1 . 2]" 1
618 1 25 ASN HD22 1 28 GLU HB2 . . 5.450 4.676 3.441 5.333 . 0 0 "[ . 1 . 2]" 1
619 1 25 ASN HD22 1 28 GLU QG . . 5.500 3.506 1.693 3.899 . 0 0 "[ . 1 . 2]" 1
620 1 26 ASP H 1 26 ASP QB . . 2.990 2.227 2.061 2.669 . 0 0 "[ . 1 . 2]" 1
621 1 26 ASP H 1 27 TRP H . . 3.650 2.686 1.884 3.023 . 0 0 "[ . 1 . 2]" 1
622 1 26 ASP H 1 28 GLU H . . 5.110 4.324 3.257 4.616 . 0 0 "[ . 1 . 2]" 1
623 1 26 ASP HA 1 27 TRP HA . . 5.300 4.756 4.663 4.835 . 0 0 "[ . 1 . 2]" 1
624 1 26 ASP HA 1 28 GLU H . . 5.500 4.345 4.030 4.569 . 0 0 "[ . 1 . 2]" 1
625 1 26 ASP HA 1 29 ASP H . . 4.110 3.437 2.912 3.820 . 0 0 "[ . 1 . 2]" 1
626 1 26 ASP HA 1 29 ASP HB2 . . 3.540 3.289 2.229 4.007 0.467 14 0 "[ . 1 . 2]" 1
627 1 26 ASP HA 1 29 ASP HB3 . . 3.990 2.865 2.357 3.619 . 0 0 "[ . 1 . 2]" 1
628 1 26 ASP HA 1 30 ARG H . . 4.820 3.781 3.363 4.170 . 0 0 "[ . 1 . 2]" 1
629 1 26 ASP QB 1 27 TRP H . . 3.370 2.903 2.572 3.320 . 0 0 "[ . 1 . 2]" 1
630 1 26 ASP QB 1 27 TRP HA . . 4.650 4.198 3.764 4.579 . 0 0 "[ . 1 . 2]" 1
631 1 26 ASP QB 1 28 GLU H . . 5.480 4.933 4.741 5.155 . 0 0 "[ . 1 . 2]" 1
632 1 27 TRP H 1 27 TRP QB . . 3.020 2.623 2.476 2.851 . 0 0 "[ . 1 . 2]" 1
633 1 27 TRP H 1 27 TRP HD1 . . 3.450 2.603 2.326 2.800 . 0 0 "[ . 1 . 2]" 1
634 1 27 TRP H 1 28 GLU H . . 3.360 2.628 2.229 2.815 . 0 0 "[ . 1 . 2]" 1
635 1 27 TRP H 1 29 ASP H . . 4.980 4.244 3.905 4.665 . 0 0 "[ . 1 . 2]" 1
636 1 27 TRP HA 1 27 TRP HE3 . . 4.320 4.369 4.284 4.396 0.076 7 0 "[ . 1 . 2]" 1
637 1 27 TRP HA 1 29 ASP H . . 5.350 4.657 4.453 4.950 . 0 0 "[ . 1 . 2]" 1
638 1 27 TRP HA 1 30 ARG H . . 4.300 3.586 3.314 3.833 . 0 0 "[ . 1 . 2]" 1
639 1 27 TRP HA 1 30 ARG QB . . 3.650 2.696 2.203 3.752 0.102 13 0 "[ . 1 . 2]" 1
640 1 27 TRP HA 1 30 ARG HD2 . . 4.850 3.855 2.742 5.182 0.332 6 0 "[ . 1 . 2]" 1
641 1 27 TRP HA 1 30 ARG HG2 . . 5.050 4.362 2.278 5.033 . 0 0 "[ . 1 . 2]" 1
642 1 27 TRP HA 1 31 TYR H . . 5.120 3.731 3.542 3.981 . 0 0 "[ . 1 . 2]" 1
643 1 27 TRP QB 1 27 TRP HD1 . . 2.870 2.547 2.493 2.609 . 0 0 "[ . 1 . 2]" 1
644 1 27 TRP QB 1 27 TRP HE3 . . 3.040 2.733 2.613 2.875 . 0 0 "[ . 1 . 2]" 1
645 1 27 TRP QB 1 28 GLU H . . 4.050 3.549 3.466 3.633 . 0 0 "[ . 1 . 2]" 1
646 1 27 TRP QB 1 31 TYR HB2 . . 5.500 4.321 3.802 4.726 . 0 0 "[ . 1 . 2]" 1
647 1 27 TRP HD1 1 28 GLU H . . 4.130 4.151 4.006 4.211 0.081 12 0 "[ . 1 . 2]" 1
648 1 27 TRP HE3 1 28 GLU H . . 3.660 3.686 3.496 3.738 0.078 5 0 "[ . 1 . 2]" 1
649 1 27 TRP HE3 1 28 GLU HA . . 4.000 2.994 2.648 3.215 . 0 0 "[ . 1 . 2]" 1
650 1 27 TRP HE3 1 28 GLU QG . . 3.300 3.054 2.838 3.272 . 0 0 "[ . 1 . 2]" 1
651 1 27 TRP HE3 1 31 TYR HB2 . . 4.410 3.834 3.417 4.329 . 0 0 "[ . 1 . 2]" 1
652 1 27 TRP HE3 1 31 TYR HB3 . . 4.690 3.970 3.485 4.383 . 0 0 "[ . 1 . 2]" 1
653 1 27 TRP HE3 1 83 THR MG . . 4.370 4.417 4.002 4.491 0.121 5 0 "[ . 1 . 2]" 1
654 1 27 TRP HE3 1 87 MET ME . . 4.160 3.961 3.447 4.247 0.087 15 0 "[ . 1 . 2]" 1
655 1 27 TRP HH2 1 28 GLU QG . . 4.530 3.176 3.035 3.372 . 0 0 "[ . 1 . 2]" 1
656 1 27 TRP HZ2 1 28 GLU QG . . 4.410 3.389 3.164 3.741 . 0 0 "[ . 1 . 2]" 1
657 1 27 TRP HZ3 1 28 GLU HA . . 4.050 3.882 3.565 4.110 0.060 11 0 "[ . 1 . 2]" 1
658 1 27 TRP HZ3 1 28 GLU QG . . 3.930 2.784 2.505 3.502 . 0 0 "[ . 1 . 2]" 1
659 1 27 TRP HZ3 1 83 THR MG . . 3.310 3.125 2.907 3.417 0.107 11 0 "[ . 1 . 2]" 1
660 1 27 TRP HZ3 1 87 MET ME . . 4.060 3.530 2.886 4.122 0.062 11 0 "[ . 1 . 2]" 1
661 1 28 GLU H 1 28 GLU HB2 . . 3.550 2.468 2.314 3.317 . 0 0 "[ . 1 . 2]" 1
662 1 28 GLU H 1 28 GLU HB3 . . 3.930 3.608 3.475 3.668 . 0 0 "[ . 1 . 2]" 1
663 1 28 GLU H 1 28 GLU QG . . 4.210 2.470 1.954 2.804 . 0 0 "[ . 1 . 2]" 1
664 1 28 GLU H 1 29 ASP H . . 3.430 2.689 2.460 2.936 . 0 0 "[ . 1 . 2]" 1
665 1 28 GLU H 1 30 ARG H . . 4.710 4.197 3.885 4.509 . 0 0 "[ . 1 . 2]" 1
666 1 28 GLU H 1 87 MET ME . . 5.500 4.421 4.240 4.558 . 0 0 "[ . 1 . 2]" 1
667 1 28 GLU HA 1 28 GLU QG . . 3.820 2.304 2.130 3.083 . 0 0 "[ . 1 . 2]" 1
668 1 28 GLU HA 1 31 TYR H . . 4.200 3.578 3.195 3.791 . 0 0 "[ . 1 . 2]" 1
669 1 28 GLU HA 1 31 TYR HB2 . . 3.940 3.835 3.478 4.009 0.069 18 0 "[ . 1 . 2]" 1
670 1 28 GLU HA 1 31 TYR HB3 . . 4.240 2.785 2.406 3.046 . 0 0 "[ . 1 . 2]" 1
671 1 28 GLU HA 1 31 TYR QD . . 4.340 4.234 3.803 4.432 0.092 8 0 "[ . 1 . 2]" 1
672 1 28 GLU HA 1 31 TYR QR . . 4.880 4.167 3.763 4.346 . 0 0 "[ . 1 . 2]" 1
673 1 28 GLU HA 1 32 TYR H . . 4.800 3.789 3.551 4.059 . 0 0 "[ . 1 . 2]" 1
674 1 28 GLU HA 1 87 MET ME . . 3.550 2.155 1.985 2.369 . 0 0 "[ . 1 . 2]" 1
675 1 28 GLU HB2 1 29 ASP H . . 3.900 2.560 2.282 2.873 . 0 0 "[ . 1 . 2]" 1
676 1 28 GLU HB2 1 29 ASP HB3 . . 5.500 5.173 4.323 5.568 0.068 1 0 "[ . 1 . 2]" 1
677 1 28 GLU HB2 1 87 MET ME . . 3.780 3.590 2.700 3.758 . 0 0 "[ . 1 . 2]" 1
678 1 28 GLU HB3 1 29 ASP H . . 4.400 3.437 3.143 4.109 . 0 0 "[ . 1 . 2]" 1
679 1 28 GLU HB3 1 87 MET ME . . 3.410 2.211 2.057 2.414 . 0 0 "[ . 1 . 2]" 1
680 1 28 GLU QG 1 29 ASP H . . 5.500 4.109 3.671 4.349 . 0 0 "[ . 1 . 2]" 1
681 1 28 GLU QG 1 87 MET ME . . 4.410 2.566 2.172 3.650 . 0 0 "[ . 1 . 2]" 1
682 1 29 ASP H 1 29 ASP HB2 . . 3.400 2.315 2.070 2.810 . 0 0 "[ . 1 . 2]" 1
683 1 29 ASP H 1 29 ASP HB3 . . 3.600 2.708 2.010 3.162 . 0 0 "[ . 1 . 2]" 1
684 1 29 ASP HA 1 32 TYR H . . 4.800 3.787 3.564 4.003 . 0 0 "[ . 1 . 2]" 1
685 1 29 ASP HA 1 32 TYR HB2 . . 4.710 3.718 3.316 4.072 . 0 0 "[ . 1 . 2]" 1
686 1 29 ASP HA 1 32 TYR HB3 . . 4.410 2.743 2.442 2.973 . 0 0 "[ . 1 . 2]" 1
687 1 29 ASP HA 1 32 TYR QD . . 4.980 3.770 3.248 4.263 . 0 0 "[ . 1 . 2]" 1
688 1 29 ASP HA 1 33 ARG H . . 5.140 3.993 3.665 4.197 . 0 0 "[ . 1 . 2]" 1
689 1 29 ASP HA 1 87 MET ME . . 5.500 4.558 4.118 4.872 . 0 0 "[ . 1 . 2]" 1
690 1 29 ASP HB2 1 30 ARG H . . 3.750 3.626 3.116 3.970 0.220 4 0 "[ . 1 . 2]" 1
691 1 29 ASP HB3 1 30 ARG H . . 3.900 2.473 2.169 2.824 . 0 0 "[ . 1 . 2]" 1
692 1 29 ASP HB3 1 30 ARG HA . . 5.500 4.187 3.864 5.008 . 0 0 "[ . 1 . 2]" 1
693 1 29 ASP HB3 1 33 ARG H . . 5.440 5.529 5.357 5.975 0.535 4 1 "[ +. 1 . 2]" 1
694 1 30 ARG H 1 30 ARG QB . . 2.950 2.200 2.076 2.299 . 0 0 "[ . 1 . 2]" 1
695 1 30 ARG H 1 30 ARG HD2 . . 5.230 4.697 3.068 5.790 0.560 6 1 "[ .+ 1 . 2]" 1
696 1 30 ARG H 1 30 ARG QD . . 4.890 4.265 3.029 4.823 . 0 0 "[ . 1 . 2]" 1
697 1 30 ARG H 1 30 ARG HG2 . . 4.310 4.136 2.621 4.392 0.082 18 0 "[ . 1 . 2]" 1
698 1 30 ARG H 1 30 ARG HG3 . . 4.530 4.388 3.895 4.588 0.058 14 0 "[ . 1 . 2]" 1
699 1 30 ARG H 1 31 TYR H . . 3.410 2.824 2.689 2.994 . 0 0 "[ . 1 . 2]" 1
700 1 30 ARG H 1 32 TYR H . . 5.040 4.259 4.013 4.521 . 0 0 "[ . 1 . 2]" 1
701 1 30 ARG H 1 33 ARG H . . 4.710 4.718 4.636 4.783 0.073 3 0 "[ . 1 . 2]" 1
702 1 30 ARG HA 1 30 ARG HE . . 5.140 4.766 3.306 5.211 0.071 6 0 "[ . 1 . 2]" 1
703 1 30 ARG HA 1 30 ARG HG2 . . 3.590 3.237 2.926 3.893 0.303 3 0 "[ . 1 . 2]" 1
704 1 30 ARG HA 1 30 ARG HG3 . . 3.960 2.798 2.225 3.769 . 0 0 "[ . 1 . 2]" 1
705 1 30 ARG HA 1 32 TYR H . . 5.500 4.608 4.464 4.890 . 0 0 "[ . 1 . 2]" 1
706 1 30 ARG HA 1 33 ARG H . . 4.100 3.549 3.302 3.747 . 0 0 "[ . 1 . 2]" 1
707 1 30 ARG HA 1 33 ARG HB2 . . 3.690 2.646 2.344 2.794 . 0 0 "[ . 1 . 2]" 1
708 1 30 ARG HA 1 33 ARG HB3 . . 4.250 4.254 3.905 4.321 0.071 5 0 "[ . 1 . 2]" 1
709 1 30 ARG HA 1 33 ARG QD . . 4.500 2.959 2.545 3.359 . 0 0 "[ . 1 . 2]" 1
710 1 30 ARG HA 1 33 ARG HE . . 5.500 4.774 2.449 5.579 0.079 17 0 "[ . 1 . 2]" 1
711 1 30 ARG HA 1 33 ARG HG3 . . 4.820 4.527 3.984 5.213 0.393 3 0 "[ . 1 . 2]" 1
712 1 30 ARG HA 1 34 GLU H . . 5.100 3.976 3.760 4.520 . 0 0 "[ . 1 . 2]" 1
713 1 30 ARG QB 1 30 ARG HD2 . . 3.670 2.418 2.160 3.322 . 0 0 "[ . 1 . 2]" 1
714 1 30 ARG QB 1 30 ARG HD3 . . 3.240 2.776 2.120 3.332 0.092 18 0 "[ . 1 . 2]" 1
715 1 30 ARG QB 1 30 ARG HE . . 4.590 3.315 2.100 4.052 . 0 0 "[ . 1 . 2]" 1
716 1 30 ARG QB 1 31 TYR H . . 3.410 2.533 2.204 3.503 0.093 13 0 "[ . 1 . 2]" 1
717 1 30 ARG QB 1 33 ARG QD . . 5.390 4.551 4.119 5.001 . 0 0 "[ . 1 . 2]" 1
718 1 30 ARG QD 1 31 TYR H . . 4.920 4.141 3.254 4.816 . 0 0 "[ . 1 . 2]" 1
719 1 30 ARG HG2 1 31 TYR H . . 5.050 3.283 2.151 4.692 . 0 0 "[ . 1 . 2]" 1
720 1 30 ARG HG2 1 34 GLU HG3 . . 5.180 3.083 2.138 5.173 . 0 0 "[ . 1 . 2]" 1
721 1 30 ARG HG3 1 31 TYR H . . 4.480 4.287 2.811 4.555 0.075 20 0 "[ . 1 . 2]" 1
722 1 30 ARG HG3 1 31 TYR HA . . 5.050 4.691 3.283 5.115 0.065 5 0 "[ . 1 . 2]" 1
723 1 30 ARG HG3 1 34 GLU HG2 . . 5.380 3.827 2.900 5.145 . 0 0 "[ . 1 . 2]" 1
724 1 30 ARG HG3 1 34 GLU HG3 . . 5.100 3.485 2.832 4.489 . 0 0 "[ . 1 . 2]" 1
725 1 31 TYR H 1 31 TYR HB2 . . 3.510 2.468 2.312 2.658 . 0 0 "[ . 1 . 2]" 1
726 1 31 TYR H 1 31 TYR HB3 . . 3.490 2.508 2.430 2.586 . 0 0 "[ . 1 . 2]" 1
727 1 31 TYR H 1 31 TYR QD . . 4.280 4.198 4.105 4.268 . 0 0 "[ . 1 . 2]" 1
728 1 31 TYR H 1 32 TYR H . . 3.610 2.769 2.656 2.853 . 0 0 "[ . 1 . 2]" 1
729 1 31 TYR H 1 33 ARG H . . 5.170 4.356 4.029 4.472 . 0 0 "[ . 1 . 2]" 1
730 1 31 TYR HA 1 31 TYR QD . . 3.390 2.806 2.271 3.277 . 0 0 "[ . 1 . 2]" 1
731 1 31 TYR HA 1 31 TYR QR . . 3.910 2.781 2.264 3.230 . 0 0 "[ . 1 . 2]" 1
732 1 31 TYR HA 1 32 TYR HA . . 5.010 4.882 4.772 4.936 . 0 0 "[ . 1 . 2]" 1
733 1 31 TYR HA 1 34 GLU H . . 4.360 3.311 3.188 3.482 . 0 0 "[ . 1 . 2]" 1
734 1 31 TYR HA 1 34 GLU HA . . 5.150 5.201 5.091 5.240 0.090 17 0 "[ . 1 . 2]" 1
735 1 31 TYR HA 1 34 GLU QB . . 3.750 2.405 2.224 2.822 . 0 0 "[ . 1 . 2]" 1
736 1 31 TYR HA 1 35 ASN H . . 5.240 4.508 3.831 5.035 . 0 0 "[ . 1 . 2]" 1
737 1 31 TYR HA 1 35 ASN HD21 . . 4.190 3.526 2.943 4.264 0.074 16 0 "[ . 1 . 2]" 1
738 1 31 TYR HA 1 35 ASN HD22 . . 4.530 3.952 2.769 4.601 0.071 12 0 "[ . 1 . 2]" 1
739 1 31 TYR HB2 1 32 TYR H . . 4.020 3.897 3.793 4.030 0.010 15 0 "[ . 1 . 2]" 1
740 1 31 TYR HB2 1 87 MET ME . . 3.890 3.855 3.639 3.988 0.098 9 0 "[ . 1 . 2]" 1
741 1 31 TYR HB3 1 32 TYR H . . 4.310 2.611 2.457 2.834 . 0 0 "[ . 1 . 2]" 1
742 1 31 TYR HB3 1 32 TYR HA . . 5.500 4.451 4.326 4.591 . 0 0 "[ . 1 . 2]" 1
743 1 31 TYR HB3 1 87 MET ME . . 5.430 2.373 2.117 2.720 . 0 0 "[ . 1 . 2]" 1
744 1 31 TYR QR 1 32 TYR HA . . 4.030 3.600 2.752 4.139 0.109 9 0 "[ . 1 . 2]" 1
745 1 31 TYR QR 1 83 THR MG . . 3.650 2.572 2.131 3.008 . 0 0 "[ . 1 . 2]" 1
746 1 31 TYR QR 1 87 MET ME . . 3.250 2.249 2.035 2.522 . 0 0 "[ . 1 . 2]" 1
747 1 31 TYR QR 1 87 MET HG2 . . 4.840 3.272 2.408 4.231 . 0 0 "[ . 1 . 2]" 1
748 1 31 TYR QR 1 87 MET HG3 . . 4.200 2.472 1.897 3.168 . 0 0 "[ . 1 . 2]" 1
749 1 31 TYR QD 1 32 TYR H . . 3.880 3.575 3.026 3.952 0.072 9 0 "[ . 1 . 2]" 1
750 1 31 TYR QD 1 34 GLU QB . . 4.490 3.962 3.024 4.556 0.066 8 0 "[ . 1 . 2]" 1
751 1 31 TYR QD 1 35 ASN HD21 . . 4.940 3.546 3.105 4.437 . 0 0 "[ . 1 . 2]" 1
752 1 31 TYR QD 1 35 ASN HD22 . . 4.820 3.463 2.794 4.212 . 0 0 "[ . 1 . 2]" 1
753 1 31 TYR QD 1 83 THR MG . . 3.500 3.224 2.503 3.605 0.105 3 0 "[ . 1 . 2]" 1
754 1 31 TYR QD 1 87 MET ME . . 3.070 2.265 2.042 2.548 . 0 0 "[ . 1 . 2]" 1
755 1 31 TYR QD 1 87 MET HG3 . . 3.770 2.633 2.100 3.526 . 0 0 "[ . 1 . 2]" 1
756 1 31 TYR QE 1 35 ASN HD22 . . 3.730 3.240 2.711 3.818 0.088 8 0 "[ . 1 . 2]" 1
757 1 31 TYR QE 1 83 THR MG . . 3.270 2.721 2.238 3.358 0.088 15 0 "[ . 1 . 2]" 1
758 1 31 TYR QE 1 87 MET ME . . 3.960 3.858 3.163 4.054 0.094 18 0 "[ . 1 . 2]" 1
759 1 31 TYR QE 1 87 MET HG3 . . 3.520 3.110 2.162 3.617 0.097 9 0 "[ . 1 . 2]" 1
760 1 32 TYR H 1 32 TYR HB2 . . 3.640 2.529 2.427 2.632 . 0 0 "[ . 1 . 2]" 1
761 1 32 TYR H 1 32 TYR HB3 . . 3.630 2.416 2.276 2.538 . 0 0 "[ . 1 . 2]" 1
762 1 32 TYR H 1 32 TYR QD . . 4.700 4.164 4.119 4.220 . 0 0 "[ . 1 . 2]" 1
763 1 32 TYR H 1 33 ARG H . . 3.810 2.883 2.770 3.030 . 0 0 "[ . 1 . 2]" 1
764 1 32 TYR H 1 34 GLU H . . 5.430 4.164 4.031 4.300 . 0 0 "[ . 1 . 2]" 1
765 1 32 TYR H 1 87 MET ME . . 3.980 2.919 2.477 3.170 . 0 0 "[ . 1 . 2]" 1
766 1 32 TYR HA 1 32 TYR QD . . 3.190 2.570 2.342 3.029 . 0 0 "[ . 1 . 2]" 1
767 1 32 TYR HA 1 32 TYR QE . . 4.730 4.530 4.341 4.762 0.032 17 0 "[ . 1 . 2]" 1
768 1 32 TYR HA 1 35 ASN H . . 4.010 3.821 3.521 4.077 0.067 5 0 "[ . 1 . 2]" 1
769 1 32 TYR HA 1 35 ASN HB2 . . 5.500 4.337 3.563 5.835 0.335 12 0 "[ . 1 . 2]" 1
770 1 32 TYR HA 1 35 ASN HD21 . . 5.500 4.475 3.740 5.471 . 0 0 "[ . 1 . 2]" 1
771 1 32 TYR HA 1 39 TYR QE . . 3.940 3.126 2.871 3.622 . 0 0 "[ . 1 . 2]" 1
772 1 32 TYR HA 1 87 MET ME . . 4.440 3.807 3.180 4.184 . 0 0 "[ . 1 . 2]" 1
773 1 32 TYR HB2 1 33 ARG H . . 4.360 3.801 3.690 3.927 . 0 0 "[ . 1 . 2]" 1
774 1 32 TYR HB2 1 87 MET ME . . 4.000 2.993 2.632 3.315 . 0 0 "[ . 1 . 2]" 1
775 1 32 TYR HB3 1 33 ARG H . . 3.790 2.364 2.259 2.539 . 0 0 "[ . 1 . 2]" 1
776 1 32 TYR HB3 1 33 ARG HA . . 4.420 4.430 4.301 4.489 0.069 4 0 "[ . 1 . 2]" 1
777 1 32 TYR HB3 1 87 MET ME . . 4.770 4.063 3.722 4.429 . 0 0 "[ . 1 . 2]" 1
778 1 32 TYR QD 1 33 ARG H . . 3.810 3.204 2.938 3.465 . 0 0 "[ . 1 . 2]" 1
779 1 32 TYR QD 1 33 ARG HA . . 4.060 3.739 3.380 4.090 0.030 5 0 "[ . 1 . 2]" 1
780 1 32 TYR QD 1 33 ARG HG2 . . 3.970 3.892 3.290 4.427 0.457 3 0 "[ . 1 . 2]" 1
781 1 32 TYR QD 1 33 ARG HG3 . . 4.330 2.594 2.180 3.007 . 0 0 "[ . 1 . 2]" 1
782 1 32 TYR QD 1 36 MET HB3 . . 4.440 4.238 3.441 4.526 0.086 15 0 "[ . 1 . 2]" 1
783 1 32 TYR QD 1 36 MET ME . . 4.790 3.688 2.784 4.318 . 0 0 "[ . 1 . 2]" 1
784 1 32 TYR QD 1 39 TYR QE . . 3.070 2.620 2.346 2.851 . 0 0 "[ . 1 . 2]" 1
785 1 32 TYR QD 1 87 MET HB2 . . 4.270 3.991 3.722 4.330 0.060 1 0 "[ . 1 . 2]" 1
786 1 32 TYR QD 1 87 MET HB3 . . 3.550 2.437 2.225 2.709 . 0 0 "[ . 1 . 2]" 1
787 1 32 TYR QD 1 87 MET ME . . 4.260 4.251 3.885 4.362 0.102 3 0 "[ . 1 . 2]" 1
788 1 32 TYR QD 1 87 MET HG2 . . 5.500 4.686 4.125 5.018 . 0 0 "[ . 1 . 2]" 1
789 1 32 TYR QD 1 91 VAL QG . . 4.630 3.981 3.181 4.272 . 0 0 "[ . 1 . 2]" 1
790 1 32 TYR QE 1 33 ARG HG2 . . 5.200 4.669 4.125 5.333 0.133 10 0 "[ . 1 . 2]" 1
791 1 32 TYR QE 1 36 MET HA . . 4.830 4.129 3.317 4.884 0.054 19 0 "[ . 1 . 2]" 1
792 1 32 TYR QE 1 36 MET HB2 . . 4.690 4.061 3.476 4.580 . 0 0 "[ . 1 . 2]" 1
793 1 32 TYR QE 1 36 MET ME . . 3.720 3.167 2.341 3.826 0.106 17 0 "[ . 1 . 2]" 1
794 1 32 TYR QE 1 39 TYR QE . . 3.200 2.912 2.524 3.223 0.023 19 0 "[ . 1 . 2]" 1
795 1 32 TYR QE 1 91 VAL H . . 4.590 4.301 3.821 4.660 0.070 11 0 "[ . 1 . 2]" 1
796 1 32 TYR QE 1 91 VAL HB . . 3.660 2.641 2.292 3.773 0.113 11 0 "[ . 1 . 2]" 1
797 1 32 TYR QE 1 91 VAL QG . . 3.090 2.221 1.833 2.562 . 0 0 "[ . 1 . 2]" 1
798 1 33 ARG H 1 33 ARG HB2 . . 3.200 2.361 2.268 2.462 . 0 0 "[ . 1 . 2]" 1
799 1 33 ARG H 1 33 ARG HB3 . . 3.690 3.581 3.521 3.641 . 0 0 "[ . 1 . 2]" 1
800 1 33 ARG H 1 33 ARG QD . . 5.330 3.298 2.317 3.787 . 0 0 "[ . 1 . 2]" 1
801 1 33 ARG H 1 33 ARG HG2 . . 4.050 3.805 3.610 4.151 0.101 10 0 "[ . 1 . 2]" 1
802 1 33 ARG H 1 33 ARG HG3 . . 4.350 2.516 2.243 3.373 . 0 0 "[ . 1 . 2]" 1
803 1 33 ARG H 1 35 ASN H . . 4.930 4.398 4.196 4.879 . 0 0 "[ . 1 . 2]" 1
804 1 33 ARG H 1 87 MET ME . . 5.500 5.336 4.888 5.565 0.065 17 0 "[ . 1 . 2]" 1
805 1 33 ARG HA 1 33 ARG QD . . 5.000 3.992 3.403 4.212 . 0 0 "[ . 1 . 2]" 1
806 1 33 ARG HA 1 33 ARG HG2 . . 4.190 2.670 2.380 3.414 . 0 0 "[ . 1 . 2]" 1
807 1 33 ARG HA 1 33 ARG HG3 . . 3.870 2.605 2.222 2.918 . 0 0 "[ . 1 . 2]" 1
808 1 33 ARG HA 1 34 GLU HA . . 5.050 4.818 4.690 4.983 . 0 0 "[ . 1 . 2]" 1
809 1 33 ARG HA 1 34 GLU QB . . 5.490 5.415 5.312 5.543 0.053 18 0 "[ . 1 . 2]" 1
810 1 33 ARG HA 1 35 ASN H . . 5.310 4.039 3.685 5.007 . 0 0 "[ . 1 . 2]" 1
811 1 33 ARG HA 1 36 MET H . . 4.930 3.412 3.061 4.248 . 0 0 "[ . 1 . 2]" 1
812 1 33 ARG HA 1 36 MET HB3 . . 4.860 2.481 2.024 4.199 . 0 0 "[ . 1 . 2]" 1
813 1 33 ARG HA 1 36 MET ME . . 3.710 2.290 1.833 3.120 . 0 0 "[ . 1 . 2]" 1
814 1 33 ARG HA 1 36 MET HG2 . . 4.540 3.487 2.785 4.061 . 0 0 "[ . 1 . 2]" 1
815 1 33 ARG HA 1 36 MET HG3 . . 5.190 4.592 4.211 5.059 . 0 0 "[ . 1 . 2]" 1
816 1 33 ARG HB2 1 33 ARG HE . . 5.400 3.708 2.457 4.709 . 0 0 "[ . 1 . 2]" 1
817 1 33 ARG HB2 1 34 GLU H . . 3.980 2.902 2.694 3.339 . 0 0 "[ . 1 . 2]" 1
818 1 33 ARG HB2 1 34 GLU HA . . 5.500 4.647 4.501 5.001 . 0 0 "[ . 1 . 2]" 1
819 1 33 ARG HB3 1 33 ARG HE . . 5.160 3.604 2.363 5.206 0.046 3 0 "[ . 1 . 2]" 1
820 1 33 ARG HG2 1 36 MET ME . . 2.470 2.434 2.050 3.158 0.688 3 2 "[ + . - . 2]" 1
821 1 33 ARG HG3 1 36 MET ME . . 3.170 3.112 2.188 3.289 0.119 4 0 "[ . 1 . 2]" 1
822 1 34 GLU H 1 34 GLU QB . . 3.140 2.327 2.173 2.558 . 0 0 "[ . 1 . 2]" 1
823 1 34 GLU H 1 34 GLU HG2 . . 3.850 2.889 2.476 3.664 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLU H 1 34 GLU HG3 . . 3.590 3.189 2.477 3.842 0.252 12 0 "[ . 1 . 2]" 1
825 1 34 GLU H 1 35 ASN H . . 2.980 2.800 2.519 2.963 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLU H 1 35 ASN HD21 . . 5.280 4.332 3.599 5.319 0.039 17 0 "[ . 1 . 2]" 1
827 1 34 GLU H 1 35 ASN HD22 . . 5.380 5.180 4.093 5.443 0.063 7 0 "[ . 1 . 2]" 1
828 1 34 GLU HA 1 34 GLU HG2 . . 3.320 2.519 2.199 3.413 0.093 12 0 "[ . 1 . 2]" 1
829 1 34 GLU HA 1 34 GLU HG3 . . 3.630 3.497 2.934 3.709 0.079 7 0 "[ . 1 . 2]" 1
830 1 34 GLU HA 1 36 MET H . . 4.730 4.375 4.015 4.784 0.054 17 0 "[ . 1 . 2]" 1
831 1 34 GLU HA 1 37 TYR QE . . 4.180 4.189 3.825 4.281 0.101 17 0 "[ . 1 . 2]" 1
832 1 34 GLU QB 1 35 ASN H . . 3.810 2.995 2.397 3.326 . 0 0 "[ . 1 . 2]" 1
833 1 34 GLU QB 1 35 ASN HB2 . . 5.500 4.466 3.999 5.380 . 0 0 "[ . 1 . 2]" 1
834 1 34 GLU QB 1 35 ASN HD21 . . 4.380 2.848 2.350 3.392 . 0 0 "[ . 1 . 2]" 1
835 1 34 GLU QB 1 35 ASN HD22 . . 4.400 3.177 2.637 4.442 0.042 12 0 "[ . 1 . 2]" 1
836 1 34 GLU HG2 1 35 ASN H . . 5.420 4.909 4.633 5.191 . 0 0 "[ . 1 . 2]" 1
837 1 34 GLU HG3 1 35 ASN H . . 5.380 5.107 4.515 5.505 0.125 12 0 "[ . 1 . 2]" 1
838 1 34 GLU HG3 1 35 ASN HD21 . . 5.500 5.118 4.409 5.650 0.150 12 0 "[ . 1 . 2]" 1
839 1 35 ASN H 1 35 ASN HB2 . . 3.690 2.904 2.449 3.974 0.284 12 0 "[ . 1 . 2]" 1
840 1 35 ASN H 1 35 ASN HB3 . . 3.930 3.654 3.019 3.849 . 0 0 "[ . 1 . 2]" 1
841 1 35 ASN H 1 35 ASN HD21 . . 4.020 3.021 2.443 3.668 . 0 0 "[ . 1 . 2]" 1
842 1 35 ASN H 1 35 ASN HD22 . . 4.450 4.086 3.030 4.505 0.055 7 0 "[ . 1 . 2]" 1
843 1 35 ASN H 1 36 MET H . . 3.260 2.208 2.015 2.603 . 0 0 "[ . 1 . 2]" 1
844 1 35 ASN H 1 36 MET HA . . 5.500 4.279 4.088 4.724 . 0 0 "[ . 1 . 2]" 1
845 1 35 ASN H 1 36 MET HB3 . . 5.070 4.041 3.754 4.752 . 0 0 "[ . 1 . 2]" 1
846 1 35 ASN HA 1 37 TYR H . . 4.860 3.618 3.258 4.326 . 0 0 "[ . 1 . 2]" 1
847 1 35 ASN HA 1 37 TYR QD . . 3.610 3.610 3.279 3.721 0.111 14 0 "[ . 1 . 2]" 1
848 1 35 ASN HA 1 37 TYR QE . . 3.240 2.896 2.421 3.138 . 0 0 "[ . 1 . 2]" 1
849 1 35 ASN HA 1 38 ARG H . . 5.100 3.759 3.385 4.711 . 0 0 "[ . 1 . 2]" 1
850 1 35 ASN HA 1 38 ARG HD2 . . 5.050 4.021 3.112 5.080 0.030 16 0 "[ . 1 . 2]" 1
851 1 35 ASN HA 1 38 ARG HD3 . . 4.550 3.493 2.566 5.044 0.494 20 0 "[ . 1 . 2]" 1
852 1 35 ASN HB2 1 36 MET H . . 4.840 3.914 3.521 4.535 . 0 0 "[ . 1 . 2]" 1
853 1 35 ASN HB2 1 38 ARG HB2 . . 5.500 4.113 2.760 4.796 . 0 0 "[ . 1 . 2]" 1
854 1 35 ASN HB3 1 38 ARG HD3 . . 5.160 3.149 2.172 5.203 0.043 18 0 "[ . 1 . 2]" 1
855 1 35 ASN HD21 1 36 MET H . . 5.500 5.035 4.698 5.562 0.062 17 0 "[ . 1 . 2]" 1
856 1 36 MET H 1 36 MET HB2 . . 4.170 3.526 2.764 3.664 . 0 0 "[ . 1 . 2]" 1
857 1 36 MET H 1 36 MET HB3 . . 3.710 2.369 1.892 2.522 . 0 0 "[ . 1 . 2]" 1
858 1 36 MET H 1 36 MET ME . . 4.530 4.100 3.348 4.460 . 0 0 "[ . 1 . 2]" 1
859 1 36 MET H 1 36 MET HG2 . . 3.760 2.507 2.248 3.837 0.077 15 0 "[ . 1 . 2]" 1
860 1 36 MET H 1 36 MET HG3 . . 4.510 3.635 3.172 4.075 . 0 0 "[ . 1 . 2]" 1
861 1 36 MET H 1 37 TYR H . . 4.070 3.016 2.830 3.208 . 0 0 "[ . 1 . 2]" 1
862 1 36 MET H 1 37 TYR QE . . 5.500 4.412 4.040 4.962 . 0 0 "[ . 1 . 2]" 1
863 1 36 MET H 1 39 TYR QE . . 5.500 4.144 3.872 4.970 . 0 0 "[ . 1 . 2]" 1
864 1 36 MET HA 1 36 MET ME . . 4.780 4.301 4.075 4.895 0.115 17 0 "[ . 1 . 2]" 1
865 1 36 MET HA 1 38 ARG H . . 4.880 3.979 3.593 4.309 . 0 0 "[ . 1 . 2]" 1
866 1 36 MET HA 1 39 TYR H . . 4.570 3.974 3.548 4.333 . 0 0 "[ . 1 . 2]" 1
867 1 36 MET HA 1 39 TYR HB2 . . 4.480 4.127 3.680 4.537 0.057 20 0 "[ . 1 . 2]" 1
868 1 36 MET HA 1 39 TYR QD . . 3.050 2.382 2.168 2.769 . 0 0 "[ . 1 . 2]" 1
869 1 36 MET HA 1 39 TYR QE . . 3.600 2.473 2.114 3.129 . 0 0 "[ . 1 . 2]" 1
870 1 36 MET HB3 1 37 TYR H . . 4.900 4.123 3.023 4.504 . 0 0 "[ . 1 . 2]" 1
871 1 36 MET HB3 1 39 TYR QD . . 5.140 4.432 3.870 5.148 0.008 15 0 "[ . 1 . 2]" 1
872 1 36 MET ME 1 36 MET HG2 . . 3.550 3.011 1.965 3.475 . 0 0 "[ . 1 . 2]" 1
873 1 36 MET HG2 1 37 TYR H . . 4.340 2.894 2.398 3.941 . 0 0 "[ . 1 . 2]" 1
874 1 36 MET HG2 1 37 TYR HB3 . . 4.810 4.214 3.559 4.874 0.064 2 0 "[ . 1 . 2]" 1
875 1 36 MET HG2 1 37 TYR QD . . 4.070 3.111 2.350 4.140 0.070 15 0 "[ . 1 . 2]" 1
876 1 36 MET HG3 1 37 TYR H . . 4.300 2.954 2.207 3.811 . 0 0 "[ . 1 . 2]" 1
877 1 36 MET HG3 1 37 TYR HA . . 5.500 3.717 3.183 4.154 . 0 0 "[ . 1 . 2]" 1
878 1 36 MET HG3 1 37 TYR QD . . 4.010 3.399 2.303 4.140 0.130 19 0 "[ . 1 . 2]" 1
879 1 37 TYR H 1 37 TYR HB3 . . 3.620 2.809 2.422 3.207 . 0 0 "[ . 1 . 2]" 1
880 1 37 TYR H 1 37 TYR QD . . 2.740 2.310 1.676 2.774 0.034 7 0 "[ . 1 . 2]" 1
881 1 37 TYR H 1 37 TYR QE . . 4.020 3.839 3.656 4.085 0.065 17 0 "[ . 1 . 2]" 1
882 1 37 TYR H 1 38 ARG H . . 3.510 2.556 2.067 2.944 . 0 0 "[ . 1 . 2]" 1
883 1 37 TYR H 1 38 ARG HA . . 5.250 5.116 4.724 5.324 0.074 15 0 "[ . 1 . 2]" 1
884 1 37 TYR H 1 39 TYR H . . 5.220 4.305 3.951 4.662 . 0 0 "[ . 1 . 2]" 1
885 1 37 TYR HA 1 37 TYR QD . . 4.180 3.742 3.500 3.797 . 0 0 "[ . 1 . 2]" 1
886 1 37 TYR HA 1 39 TYR H . . 4.940 4.111 3.729 4.475 . 0 0 "[ . 1 . 2]" 1
887 1 37 TYR HB2 1 38 ARG H . . 4.970 4.052 3.554 4.424 . 0 0 "[ . 1 . 2]" 1
888 1 37 TYR HB3 1 38 ARG H . . 5.240 4.378 4.138 4.624 . 0 0 "[ . 1 . 2]" 1
889 1 37 TYR QD 1 38 ARG H . . 3.740 3.279 2.603 3.823 0.083 19 0 "[ . 1 . 2]" 1
890 1 37 TYR QD 1 38 ARG HA . . 4.470 3.683 2.668 4.556 0.086 15 0 "[ . 1 . 2]" 1
891 1 37 TYR QD 1 38 ARG HG3 . . 4.210 3.034 2.107 3.916 . 0 0 "[ . 1 . 2]" 1
892 1 38 ARG H 1 38 ARG HB2 . . 3.560 2.405 1.982 2.609 . 0 0 "[ . 1 . 2]" 1
893 1 38 ARG H 1 38 ARG HB3 . . 4.140 3.573 2.729 3.773 . 0 0 "[ . 1 . 2]" 1
894 1 38 ARG H 1 38 ARG HD2 . . 4.980 4.566 3.584 4.989 0.009 6 0 "[ . 1 . 2]" 1
895 1 38 ARG H 1 38 ARG HD3 . . 4.540 3.998 2.937 5.013 0.473 20 0 "[ . 1 . 2]" 1
896 1 38 ARG H 1 38 ARG HG2 . . 4.720 3.727 2.369 4.490 . 0 0 "[ . 1 . 2]" 1
897 1 38 ARG H 1 38 ARG HG3 . . 3.920 2.855 2.236 3.994 0.074 3 0 "[ . 1 . 2]" 1
898 1 38 ARG H 1 39 TYR H . . 3.430 2.425 2.143 2.690 . 0 0 "[ . 1 . 2]" 1
899 1 38 ARG H 1 39 TYR QD . . 5.060 4.483 4.242 4.700 . 0 0 "[ . 1 . 2]" 1
900 1 38 ARG H 1 39 TYR QE . . 5.500 5.131 4.745 5.443 . 0 0 "[ . 1 . 2]" 1
901 1 38 ARG HA 1 38 ARG HD2 . . 4.830 4.539 2.340 4.897 0.067 14 0 "[ . 1 . 2]" 1
902 1 38 ARG HA 1 38 ARG HD3 . . 5.060 4.479 3.851 4.819 . 0 0 "[ . 1 . 2]" 1
903 1 38 ARG HA 1 38 ARG HG2 . . 3.490 2.742 2.398 3.357 . 0 0 "[ . 1 . 2]" 1
904 1 38 ARG HA 1 38 ARG HG3 . . 3.940 2.933 2.202 3.916 . 0 0 "[ . 1 . 2]" 1
905 1 38 ARG HA 1 80 PHE QE . . 5.500 4.368 4.034 4.702 . 0 0 "[ . 1 . 2]" 1
906 1 38 ARG HB2 1 39 TYR H . . 4.460 3.130 2.722 3.739 . 0 0 "[ . 1 . 2]" 1
907 1 38 ARG HB3 1 38 ARG HE . . 4.810 2.865 2.097 4.390 . 0 0 "[ . 1 . 2]" 1
908 1 38 ARG HB3 1 39 TYR H . . 4.530 3.892 2.957 4.318 . 0 0 "[ . 1 . 2]" 1
909 1 38 ARG HB3 1 80 PHE QD . . 4.410 4.356 3.813 4.779 0.369 16 0 "[ . 1 . 2]" 1
910 1 38 ARG HB3 1 80 PHE QE . . 5.320 2.427 2.176 3.037 . 0 0 "[ . 1 . 2]" 1
911 1 38 ARG HE 1 80 PHE QE . . 4.480 3.842 2.583 4.549 0.069 1 0 "[ . 1 . 2]" 1
912 1 38 ARG HG3 1 39 TYR H . . 5.480 4.684 4.279 5.379 . 0 0 "[ . 1 . 2]" 1
913 1 39 TYR H 1 39 TYR HB2 . . 3.660 2.446 2.207 2.656 . 0 0 "[ . 1 . 2]" 1
914 1 39 TYR H 1 39 TYR QD . . 4.320 3.124 2.898 3.374 . 0 0 "[ . 1 . 2]" 1
915 1 39 TYR H 1 40 PRO QD . . 5.090 4.467 4.403 4.544 . 0 0 "[ . 1 . 2]" 1
916 1 39 TYR H 1 80 PHE QE . . 4.330 4.331 3.935 4.419 0.089 14 0 "[ . 1 . 2]" 1
917 1 39 TYR HA 1 39 TYR QD . . 2.770 2.234 2.063 2.483 . 0 0 "[ . 1 . 2]" 1
918 1 39 TYR HA 1 40 PRO QD . . 3.800 2.240 2.139 2.395 . 0 0 "[ . 1 . 2]" 1
919 1 39 TYR HA 1 40 PRO HG2 . . 5.250 4.778 4.519 4.961 . 0 0 "[ . 1 . 2]" 1
920 1 39 TYR HA 1 40 PRO HG3 . . 5.340 4.583 4.240 4.824 . 0 0 "[ . 1 . 2]" 1
921 1 39 TYR HA 1 80 PHE QE . . 4.520 3.522 2.762 4.140 . 0 0 "[ . 1 . 2]" 1
922 1 39 TYR HA 1 88 MET ME . . 5.330 3.974 2.982 5.005 . 0 0 "[ . 1 . 2]" 1
923 1 39 TYR HB2 1 91 VAL QG . . 4.600 2.819 2.373 3.165 . 0 0 "[ . 1 . 2]" 1
924 1 39 TYR HB3 1 40 PRO QD . . 4.850 2.033 1.957 2.176 . 0 0 "[ . 1 . 2]" 1
925 1 39 TYR HB3 1 88 MET HG3 . . 5.500 3.785 2.539 4.547 . 0 0 "[ . 1 . 2]" 1
926 1 39 TYR HB3 1 91 VAL QG . . 5.500 2.104 1.949 2.279 . 0 0 "[ . 1 . 2]" 1
927 1 39 TYR QD 1 40 PRO QD . . 4.730 3.134 2.458 3.756 . 0 0 "[ . 1 . 2]" 1
928 1 39 TYR QD 1 80 PHE QE . . 4.110 3.500 2.563 4.118 0.008 16 0 "[ . 1 . 2]" 1
929 1 39 TYR QD 1 84 ASP QB . . 5.500 4.368 3.528 4.813 . 0 0 "[ . 1 . 2]" 1
930 1 39 TYR QD 1 88 MET HA . . 5.430 3.843 3.305 4.339 . 0 0 "[ . 1 . 2]" 1
931 1 39 TYR QD 1 88 MET HB2 . . 5.140 2.942 2.454 3.697 . 0 0 "[ . 1 . 2]" 1
932 1 39 TYR QD 1 88 MET ME . . 3.780 3.098 2.425 3.852 0.072 16 0 "[ . 1 . 2]" 1
933 1 39 TYR QD 1 88 MET HG2 . . 5.220 4.971 4.425 5.685 0.465 11 0 "[ . 1 . 2]" 1
934 1 39 TYR QD 1 91 VAL QG . . 3.330 2.470 2.007 2.668 . 0 0 "[ . 1 . 2]" 1
935 1 39 TYR QE 1 80 PHE QD . . 3.860 3.814 3.009 3.987 0.127 20 0 "[ . 1 . 2]" 1
936 1 39 TYR QE 1 84 ASP HA . . 3.610 3.158 2.557 3.692 0.082 3 0 "[ . 1 . 2]" 1
937 1 39 TYR QE 1 84 ASP QB . . 3.270 2.847 2.251 3.284 0.014 9 0 "[ . 1 . 2]" 1
938 1 39 TYR QE 1 87 MET HB2 . . 3.450 3.167 2.835 3.490 0.040 5 0 "[ . 1 . 2]" 1
939 1 39 TYR QE 1 88 MET H . . 4.550 3.785 3.149 4.396 . 0 0 "[ . 1 . 2]" 1
940 1 39 TYR QE 1 88 MET ME . . 3.830 3.742 2.892 3.953 0.123 9 0 "[ . 1 . 2]" 1
941 1 39 TYR QE 1 91 VAL QG . . 3.880 3.549 3.340 3.714 . 0 0 "[ . 1 . 2]" 1
942 1 40 PRO HA 1 41 ASN H . . 2.900 2.325 2.232 2.452 . 0 0 "[ . 1 . 2]" 1
943 1 40 PRO HA 1 41 ASN HA . . 4.770 4.546 4.495 4.606 . 0 0 "[ . 1 . 2]" 1
944 1 40 PRO HA 1 42 GLN H . . 3.950 3.779 3.301 4.027 0.077 14 0 "[ . 1 . 2]" 1
945 1 40 PRO HA 1 69 HIS HE1 . . 4.150 3.428 2.467 4.201 0.051 4 0 "[ . 1 . 2]" 1
946 1 40 PRO HB2 1 41 ASN H . . 4.430 2.982 2.362 3.764 . 0 0 "[ . 1 . 2]" 1
947 1 40 PRO HB2 1 42 GLN H . . 3.700 2.988 2.076 3.775 0.075 18 0 "[ . 1 . 2]" 1
948 1 40 PRO HB2 1 65 THR MG . . 3.850 3.148 2.740 3.667 . 0 0 "[ . 1 . 2]" 1
949 1 40 PRO HB2 1 91 VAL QG . . 5.500 4.635 3.318 5.431 . 0 0 "[ . 1 . 2]" 1
950 1 40 PRO HB2 1 92 VAL QG . . 4.560 3.698 2.612 4.369 . 0 0 "[ . 1 . 2]" 1
951 1 40 PRO HB2 1 95 MET ME . . 3.380 2.837 2.016 3.456 0.076 14 0 "[ . 1 . 2]" 1
952 1 40 PRO HB3 1 41 ASN H . . 4.010 3.363 2.773 3.715 . 0 0 "[ . 1 . 2]" 1
953 1 40 PRO HB3 1 42 GLN H . . 4.020 3.672 3.009 4.091 0.071 8 0 "[ . 1 . 2]" 1
954 1 40 PRO HB3 1 65 THR MG . . 4.450 3.251 2.305 4.105 . 0 0 "[ . 1 . 2]" 1
955 1 40 PRO HB3 1 69 HIS HD2 . . 5.500 3.708 2.380 4.908 . 0 0 "[ . 1 . 2]" 1
956 1 40 PRO HB3 1 92 VAL QG . . 5.150 4.332 3.427 4.949 . 0 0 "[ . 1 . 2]" 1
957 1 40 PRO QD 1 88 MET ME . . 4.170 3.379 2.364 4.009 . 0 0 "[ . 1 . 2]" 1
958 1 40 PRO QD 1 88 MET HG2 . . 4.980 3.938 3.066 4.455 . 0 0 "[ . 1 . 2]" 1
959 1 40 PRO QD 1 88 MET HG3 . . 5.420 2.834 2.178 3.837 . 0 0 "[ . 1 . 2]" 1
960 1 40 PRO QD 1 91 VAL QG . . 5.360 2.713 2.075 3.128 . 0 0 "[ . 1 . 2]" 1
961 1 40 PRO QD 1 92 VAL QG . . 4.710 3.201 2.551 3.798 . 0 0 "[ . 1 . 2]" 1
962 1 40 PRO HG2 1 65 THR MG . . 3.070 2.888 2.476 3.143 0.073 13 0 "[ . 1 . 2]" 1
963 1 40 PRO HG2 1 69 HIS HB2 . . 5.440 4.725 3.566 5.494 0.054 1 0 "[ . 1 . 2]" 1
964 1 40 PRO HG2 1 69 HIS HD2 . . 5.500 5.285 4.624 5.567 0.067 11 0 "[ . 1 . 2]" 1
965 1 40 PRO HG2 1 91 VAL QG . . 4.740 3.537 3.053 4.005 . 0 0 "[ . 1 . 2]" 1
966 1 40 PRO HG2 1 92 VAL QG . . 3.970 2.494 2.120 2.999 . 0 0 "[ . 1 . 2]" 1
967 1 40 PRO HG3 1 65 THR MG . . 3.400 2.695 2.243 3.368 . 0 0 "[ . 1 . 2]" 1
968 1 40 PRO HG3 1 69 HIS HB2 . . 4.790 3.183 2.398 3.737 . 0 0 "[ . 1 . 2]" 1
969 1 40 PRO HG3 1 69 HIS HD2 . . 3.880 3.725 3.068 3.937 0.057 6 0 "[ . 1 . 2]" 1
970 1 40 PRO HG3 1 92 VAL QG . . 4.390 3.315 2.607 4.163 . 0 0 "[ . 1 . 2]" 1
971 1 40 PRO HG3 1 95 MET ME . . 5.150 4.337 3.875 5.080 . 0 0 "[ . 1 . 2]" 1
972 1 41 ASN H 1 42 GLN H . . 3.090 1.936 1.686 2.132 . 0 0 "[ . 1 . 2]" 1
973 1 41 ASN H 1 42 GLN HA . . 4.790 4.689 4.492 4.859 0.069 10 0 "[ . 1 . 2]" 1
974 1 41 ASN H 1 42 GLN QG . . 5.500 3.640 3.018 4.174 . 0 0 "[ . 1 . 2]" 1
975 1 41 ASN H 1 43 VAL MG1 . . 5.500 5.435 4.800 5.604 0.104 6 0 "[ . 1 . 2]" 1
976 1 41 ASN H 1 95 MET ME . . 4.650 3.810 3.066 4.273 . 0 0 "[ . 1 . 2]" 1
977 1 41 ASN HA 1 41 ASN HD22 . . 5.170 4.504 3.699 5.128 . 0 0 "[ . 1 . 2]" 1
978 1 41 ASN HA 1 91 VAL QG . . 5.500 4.807 4.530 5.066 . 0 0 "[ . 1 . 2]" 1
979 1 41 ASN HA 1 95 MET ME . . 3.590 2.719 2.030 3.177 . 0 0 "[ . 1 . 2]" 1
980 1 41 ASN HA 1 95 MET HG2 . . 4.980 4.738 3.733 5.068 0.088 19 0 "[ . 1 . 2]" 1
981 1 41 ASN HB2 1 42 GLN QG . . 3.550 2.991 2.540 3.484 . 0 0 "[ . 1 . 2]" 1
982 1 41 ASN HB3 1 41 ASN HD22 . . 4.150 3.757 3.400 4.160 0.010 13 0 "[ . 1 . 2]" 1
983 1 41 ASN HD21 1 95 MET ME . . 5.500 5.419 4.889 5.613 0.113 19 0 "[ . 1 . 2]" 1
984 1 42 GLN H 1 42 GLN QG . . 4.700 2.692 2.356 3.214 . 0 0 "[ . 1 . 2]" 1
985 1 42 GLN H 1 43 VAL H . . 4.470 4.493 4.359 4.543 0.073 5 0 "[ . 1 . 2]" 1
986 1 42 GLN H 1 43 VAL MG1 . . 5.290 4.350 4.012 4.813 . 0 0 "[ . 1 . 2]" 1
987 1 42 GLN H 1 95 MET ME . . 3.850 3.577 3.025 3.928 0.078 14 0 "[ . 1 . 2]" 1
988 1 42 GLN HA 1 42 GLN HE21 . . 4.780 4.345 3.631 4.855 0.075 19 0 "[ . 1 . 2]" 1
989 1 42 GLN HA 1 43 VAL H . . 3.110 2.369 2.179 2.652 . 0 0 "[ . 1 . 2]" 1
990 1 42 GLN HA 1 43 VAL MG1 . . 4.890 3.579 3.377 3.946 . 0 0 "[ . 1 . 2]" 1
991 1 42 GLN HA 1 43 VAL MG2 . . 4.700 3.566 2.469 3.930 . 0 0 "[ . 1 . 2]" 1
992 1 42 GLN HA 1 95 MET ME . . 4.940 3.984 3.644 4.768 . 0 0 "[ . 1 . 2]" 1
993 1 42 GLN HB2 1 42 GLN HE21 . . 4.540 3.964 3.536 4.482 . 0 0 "[ . 1 . 2]" 1
994 1 42 GLN HB2 1 42 GLN HE22 . . 4.630 4.483 4.278 4.733 0.103 9 0 "[ . 1 . 2]" 1
995 1 42 GLN HB2 1 43 VAL H . . 4.620 3.721 2.969 4.543 . 0 0 "[ . 1 . 2]" 1
996 1 42 GLN HB3 1 42 GLN HE21 . . 4.320 2.960 2.309 3.973 . 0 0 "[ . 1 . 2]" 1
997 1 42 GLN HB3 1 42 GLN HE22 . . 5.010 3.927 3.649 4.541 . 0 0 "[ . 1 . 2]" 1
998 1 42 GLN HB3 1 43 VAL H . . 4.510 2.718 2.184 3.649 . 0 0 "[ . 1 . 2]" 1
999 1 42 GLN QG 1 43 VAL H . . 5.290 4.059 3.867 4.375 . 0 0 "[ . 1 . 2]" 1
1000 1 43 VAL H 1 43 VAL MG1 . . 3.860 3.071 2.687 3.584 . 0 0 "[ . 1 . 2]" 1
1001 1 43 VAL H 1 43 VAL MG2 . . 3.450 2.279 2.032 2.491 . 0 0 "[ . 1 . 2]" 1
1002 1 43 VAL H 1 95 MET ME . . 4.830 4.566 3.836 4.921 0.091 5 0 "[ . 1 . 2]" 1
1003 1 43 VAL HA 1 43 VAL MG1 . . 3.550 2.375 2.242 2.450 . 0 0 "[ . 1 . 2]" 1
1004 1 43 VAL HA 1 44 TYR H . . 2.960 2.240 2.079 2.382 . 0 0 "[ . 1 . 2]" 1
1005 1 43 VAL HA 1 44 TYR QD . . 3.840 3.904 3.741 3.939 0.099 16 0 "[ . 1 . 2]" 1
1006 1 43 VAL HA 1 65 THR MG . . 3.420 2.258 2.075 2.552 . 0 0 "[ . 1 . 2]" 1
1007 1 43 VAL HA 1 92 VAL QG . . 5.500 3.616 3.236 4.189 . 0 0 "[ . 1 . 2]" 1
1008 1 43 VAL HB 1 44 TYR H . . 3.540 3.074 2.666 3.596 0.056 15 0 "[ . 1 . 2]" 1
1009 1 43 VAL HB 1 65 THR HB . . 5.410 4.559 3.999 5.470 0.060 15 0 "[ . 1 . 2]" 1
1010 1 43 VAL HB 1 65 THR HG1 . . 4.440 3.432 2.757 4.486 0.046 15 0 "[ . 1 . 2]" 1
1011 1 43 VAL HB 1 65 THR MG . . 4.130 3.624 3.247 4.180 0.050 15 0 "[ . 1 . 2]" 1
1012 1 43 VAL HB 1 92 VAL QG . . 5.040 3.320 2.798 4.155 . 0 0 "[ . 1 . 2]" 1
1013 1 43 VAL HB 1 96 CYS HA . . 5.390 4.022 3.682 4.343 . 0 0 "[ . 1 . 2]" 1
1014 1 43 VAL MG1 1 44 TYR H . . 4.610 3.957 3.796 4.068 . 0 0 "[ . 1 . 2]" 1
1015 1 43 VAL MG1 1 65 THR HG1 . . 5.010 3.829 3.221 4.649 . 0 0 "[ . 1 . 2]" 1
1016 1 43 VAL MG1 1 65 THR MG . . 3.300 2.297 2.094 2.854 . 0 0 "[ . 1 . 2]" 1
1017 1 43 VAL MG1 1 93 GLU H . . 5.500 5.440 5.046 5.614 0.114 15 0 "[ . 1 . 2]" 1
1018 1 43 VAL MG1 1 95 MET H . . 4.810 4.242 3.823 4.611 . 0 0 "[ . 1 . 2]" 1
1019 1 43 VAL MG1 1 95 MET HA . . 4.990 4.284 4.056 4.640 . 0 0 "[ . 1 . 2]" 1
1020 1 43 VAL MG1 1 95 MET HB2 . . 3.570 2.478 2.183 2.942 . 0 0 "[ . 1 . 2]" 1
1021 1 43 VAL MG1 1 95 MET HB3 . . 3.710 2.295 2.110 2.671 . 0 0 "[ . 1 . 2]" 1
1022 1 43 VAL MG1 1 95 MET ME . . 3.060 2.030 1.915 2.256 . 0 0 "[ . 1 . 2]" 1
1023 1 43 VAL MG1 1 95 MET HG2 . . 5.260 4.024 3.621 4.647 . 0 0 "[ . 1 . 2]" 1
1024 1 43 VAL MG1 1 95 MET HG3 . . 5.490 4.370 4.045 4.741 . 0 0 "[ . 1 . 2]" 1
1025 1 43 VAL MG1 1 96 CYS H . . 4.370 2.943 2.601 3.282 . 0 0 "[ . 1 . 2]" 1
1026 1 43 VAL MG1 1 96 CYS HA . . 4.410 3.387 2.867 3.824 . 0 0 "[ . 1 . 2]" 1
1027 1 43 VAL MG2 1 44 TYR H . . 4.950 3.918 3.516 4.343 . 0 0 "[ . 1 . 2]" 1
1028 1 43 VAL MG2 1 45 TYR QD . . 3.230 2.912 2.444 3.336 0.106 15 0 "[ . 1 . 2]" 1
1029 1 43 VAL MG2 1 45 TYR QE . . 5.060 4.127 3.134 4.714 . 0 0 "[ . 1 . 2]" 1
1030 1 43 VAL MG2 1 65 THR HG1 . . 5.500 4.856 4.342 5.529 0.029 3 0 "[ . 1 . 2]" 1
1031 1 43 VAL MG2 1 65 THR MG . . 5.000 4.358 4.188 4.699 . 0 0 "[ . 1 . 2]" 1
1032 1 43 VAL MG2 1 95 MET ME . . 4.920 3.811 3.467 4.164 . 0 0 "[ . 1 . 2]" 1
1033 1 43 VAL MG2 1 96 CYS H . . 5.190 3.856 3.215 4.806 . 0 0 "[ . 1 . 2]" 1
1034 1 43 VAL MG2 1 96 CYS HA . . 3.780 2.462 2.046 3.519 . 0 0 "[ . 1 . 2]" 1
1035 1 43 VAL MG2 1 99 GLN H . . 5.390 4.075 3.750 4.465 . 0 0 "[ . 1 . 2]" 1
1036 1 43 VAL MG2 1 99 GLN HA . . 4.910 4.722 4.522 4.936 0.026 6 0 "[ . 1 . 2]" 1
1037 1 43 VAL MG2 1 99 GLN HB2 . . 4.270 2.645 2.405 2.923 . 0 0 "[ . 1 . 2]" 1
1038 1 43 VAL MG2 1 99 GLN HB3 . . 4.760 3.187 2.602 3.666 . 0 0 "[ . 1 . 2]" 1
1039 1 43 VAL MG2 1 99 GLN QE . . 5.500 4.090 3.711 4.583 . 0 0 "[ . 1 . 2]" 1
1040 1 43 VAL MG2 1 99 GLN HG2 . . 4.180 3.106 2.205 3.797 . 0 0 "[ . 1 . 2]" 1
1041 1 44 TYR H 1 44 TYR HB2 . . 3.350 2.355 2.210 2.516 . 0 0 "[ . 1 . 2]" 1
1042 1 44 TYR H 1 44 TYR QD . . 3.400 2.631 2.432 3.040 . 0 0 "[ . 1 . 2]" 1
1043 1 44 TYR H 1 44 TYR QE . . 4.570 4.646 4.611 4.672 0.102 18 0 "[ . 1 . 2]" 1
1044 1 44 TYR H 1 64 ILE MG . . 5.430 3.443 3.253 4.127 . 0 0 "[ . 1 . 2]" 1
1045 1 44 TYR H 1 65 THR H . . 4.990 4.190 3.940 4.350 . 0 0 "[ . 1 . 2]" 1
1046 1 44 TYR H 1 65 THR HA . . 4.740 3.861 3.642 4.197 . 0 0 "[ . 1 . 2]" 1
1047 1 44 TYR H 1 65 THR HB . . 4.580 4.127 3.810 4.529 . 0 0 "[ . 1 . 2]" 1
1048 1 44 TYR H 1 65 THR HG1 . . 3.810 2.535 1.864 2.990 . 0 0 "[ . 1 . 2]" 1
1049 1 44 TYR H 1 65 THR MG . . 3.850 3.210 2.709 3.556 . 0 0 "[ . 1 . 2]" 1
1050 1 44 TYR H 1 92 VAL QG . . 5.500 4.413 3.972 4.768 . 0 0 "[ . 1 . 2]" 1
1051 1 44 TYR HA 1 44 TYR QD . . 3.610 2.848 2.091 3.094 . 0 0 "[ . 1 . 2]" 1
1052 1 44 TYR HA 1 44 TYR QE . . 5.030 4.555 4.402 4.780 . 0 0 "[ . 1 . 2]" 1
1053 1 44 TYR HA 1 45 TYR H . . 3.300 2.337 2.032 2.469 . 0 0 "[ . 1 . 2]" 1
1054 1 44 TYR HA 1 45 TYR QD . . 3.720 3.469 3.113 3.764 0.044 3 0 "[ . 1 . 2]" 1
1055 1 44 TYR HA 1 64 ILE MG . . 5.240 4.355 4.221 4.546 . 0 0 "[ . 1 . 2]" 1
1056 1 44 TYR HB2 1 64 ILE HB . . 4.980 3.386 2.904 4.137 . 0 0 "[ . 1 . 2]" 1
1057 1 44 TYR HB2 1 64 ILE MG . . 3.690 1.967 1.887 2.163 . 0 0 "[ . 1 . 2]" 1
1058 1 44 TYR HB2 1 65 THR H . . 5.060 4.063 3.530 4.385 . 0 0 "[ . 1 . 2]" 1
1059 1 44 TYR HB2 1 65 THR HA . . 4.420 4.120 3.088 4.421 0.001 18 0 "[ . 1 . 2]" 1
1060 1 44 TYR QD 1 45 TYR H . . 3.910 3.816 3.437 4.018 0.108 13 0 "[ . 1 . 2]" 1
1061 1 44 TYR QD 1 64 ILE MG . . 3.960 2.364 2.094 2.880 . 0 0 "[ . 1 . 2]" 1
1062 1 44 TYR QD 1 65 THR H . . 5.500 4.174 3.715 4.601 . 0 0 "[ . 1 . 2]" 1
1063 1 44 TYR QD 1 65 THR HA . . 2.990 2.550 2.273 3.092 0.102 13 0 "[ . 1 . 2]" 1
1064 1 44 TYR QD 1 65 THR MG . . 4.070 3.291 2.899 3.856 . 0 0 "[ . 1 . 2]" 1
1065 1 44 TYR QD 1 68 GLN HB2 . . 4.200 3.632 3.273 3.947 . 0 0 "[ . 1 . 2]" 1
1066 1 44 TYR QD 1 68 GLN HB3 . . 4.510 4.533 4.091 4.614 0.104 18 0 "[ . 1 . 2]" 1
1067 1 44 TYR QD 1 68 GLN QG . . 5.500 3.221 2.506 3.984 . 0 0 "[ . 1 . 2]" 1
1068 1 44 TYR QE 1 65 THR HA . . 3.670 3.606 2.888 3.775 0.105 16 0 "[ . 1 . 2]" 1
1069 1 44 TYR QE 1 65 THR MG . . 5.140 4.030 3.593 4.506 . 0 0 "[ . 1 . 2]" 1
1070 1 44 TYR QE 1 68 GLN HB2 . . 3.350 2.904 2.260 3.406 0.056 16 0 "[ . 1 . 2]" 1
1071 1 44 TYR QE 1 68 GLN HB3 . . 3.650 2.875 2.461 3.223 . 0 0 "[ . 1 . 2]" 1
1072 1 44 TYR QE 1 68 GLN QG . . 3.280 2.314 2.067 2.844 . 0 0 "[ . 1 . 2]" 1
1073 1 45 TYR H 1 45 TYR QD . . 3.370 2.959 2.632 3.292 . 0 0 "[ . 1 . 2]" 1
1074 1 45 TYR HA 1 45 TYR QD . . 3.910 3.793 3.730 3.832 . 0 0 "[ . 1 . 2]" 1
1075 1 45 TYR HA 1 57 PHE QE . . 5.030 4.657 4.367 4.824 . 0 0 "[ . 1 . 2]" 1
1076 1 45 TYR HB3 1 46 ARG H . . 4.980 3.926 3.728 4.218 . 0 0 "[ . 1 . 2]" 1
1077 1 45 TYR HB3 1 57 PHE QE . . 4.280 3.254 2.916 3.899 . 0 0 "[ . 1 . 2]" 1
1078 1 45 TYR HB3 1 57 PHE HZ . . 3.830 3.338 2.763 3.886 0.056 9 0 "[ . 1 . 2]" 1
1079 1 45 TYR QD 1 46 ARG H . . 3.960 3.672 3.085 4.056 0.096 2 0 "[ . 1 . 2]" 1
1080 1 45 TYR QD 1 46 ARG HA . . 5.500 4.119 3.656 4.433 . 0 0 "[ . 1 . 2]" 1
1081 1 45 TYR QD 1 47 PRO HA . . 3.720 2.852 2.389 3.618 . 0 0 "[ . 1 . 2]" 1
1082 1 45 TYR QD 1 47 PRO HD3 . . 5.080 4.547 4.151 5.102 0.022 7 0 "[ . 1 . 2]" 1
1083 1 45 TYR QD 1 48 VAL QG . . 5.500 4.117 3.727 4.480 . 0 0 "[ . 1 . 2]" 1
1084 1 45 TYR QD 1 57 PHE QE . . 3.300 2.875 2.408 3.363 0.063 17 0 "[ . 1 . 2]" 1
1085 1 45 TYR QD 1 57 PHE HZ . . 4.210 3.007 2.443 3.587 . 0 0 "[ . 1 . 2]" 1
1086 1 45 TYR QD 1 99 GLN HB3 . . 4.190 3.993 3.407 4.285 0.095 17 0 "[ . 1 . 2]" 1
1087 1 45 TYR QD 1 99 GLN QE . . 4.700 3.722 2.771 4.578 . 0 0 "[ . 1 . 2]" 1
1088 1 45 TYR QD 1 99 GLN HG2 . . 5.500 5.002 3.361 5.573 0.073 7 0 "[ . 1 . 2]" 1
1089 1 45 TYR QD 1 103 GLU HG3 . . 4.230 3.693 3.008 5.135 0.905 10 1 "[ . + . 2]" 1
1090 1 45 TYR QE 1 47 PRO HA . . 3.830 3.056 2.444 3.898 0.068 6 0 "[ . 1 . 2]" 1
1091 1 45 TYR QE 1 47 PRO HB3 . . 5.200 3.943 3.078 5.022 . 0 0 "[ . 1 . 2]" 1
1092 1 45 TYR QE 1 48 VAL H . . 5.500 4.381 3.686 5.249 . 0 0 "[ . 1 . 2]" 1
1093 1 45 TYR QE 1 99 GLN QE . . 5.500 2.689 2.166 3.500 . 0 0 "[ . 1 . 2]" 1
1094 1 45 TYR QE 1 103 GLU HG2 . . 5.500 3.932 2.411 4.807 . 0 0 "[ . 1 . 2]" 1
1095 1 45 TYR QE 1 103 GLU HG3 . . 5.200 2.839 2.127 3.557 . 0 0 "[ . 1 . 2]" 1
1096 1 46 ARG H 1 46 ARG HG2 . . 5.010 3.825 3.090 4.306 . 0 0 "[ . 1 . 2]" 1
1097 1 46 ARG H 1 46 ARG HG3 . . 5.110 3.175 2.568 4.387 . 0 0 "[ . 1 . 2]" 1
1098 1 46 ARG H 1 57 PHE QE . . 4.740 4.234 3.636 4.806 0.066 16 0 "[ . 1 . 2]" 1
1099 1 46 ARG HA 1 46 ARG HD2 . . 4.940 4.161 2.320 4.775 . 0 0 "[ . 1 . 2]" 1
1100 1 46 ARG HA 1 46 ARG HD3 . . 4.740 4.359 3.732 4.658 . 0 0 "[ . 1 . 2]" 1
1101 1 46 ARG HA 1 46 ARG HG3 . . 4.230 3.086 2.602 3.709 . 0 0 "[ . 1 . 2]" 1
1102 1 46 ARG HA 1 47 PRO HD2 . . 3.380 2.633 2.317 2.987 . 0 0 "[ . 1 . 2]" 1
1103 1 46 ARG HA 1 47 PRO HD3 . . 3.220 2.201 1.983 2.512 . 0 0 "[ . 1 . 2]" 1
1104 1 46 ARG HA 1 47 PRO HG2 . . 5.010 4.634 4.513 4.750 . 0 0 "[ . 1 . 2]" 1
1105 1 46 ARG HB2 1 46 ARG HD2 . . 4.210 3.570 2.701 4.083 . 0 0 "[ . 1 . 2]" 1
1106 1 46 ARG HB2 1 46 ARG HD3 . . 4.070 3.074 2.232 4.274 0.204 12 0 "[ . 1 . 2]" 1
1107 1 46 ARG HB2 1 46 ARG HE . . 5.500 3.719 2.328 4.543 . 0 0 "[ . 1 . 2]" 1
1108 1 46 ARG HB2 1 47 PRO HA . . 5.300 5.371 5.353 5.385 0.085 12 0 "[ . 1 . 2]" 1
1109 1 46 ARG HB2 1 47 PRO HD2 . . 4.530 3.964 3.716 4.240 . 0 0 "[ . 1 . 2]" 1
1110 1 46 ARG HB2 1 47 PRO HD3 . . 5.040 4.685 4.358 5.093 0.053 19 0 "[ . 1 . 2]" 1
1111 1 46 ARG HB3 1 46 ARG HD2 . . 4.110 3.342 2.172 3.935 . 0 0 "[ . 1 . 2]" 1
1112 1 46 ARG HB3 1 46 ARG HD3 . . 3.870 3.147 2.535 3.713 . 0 0 "[ . 1 . 2]" 1
1113 1 46 ARG HB3 1 46 ARG HE . . 5.500 3.022 1.979 4.211 . 0 0 "[ . 1 . 2]" 1
1114 1 46 ARG HB3 1 47 PRO HD2 . . 4.140 2.416 2.101 2.870 . 0 0 "[ . 1 . 2]" 1
1115 1 46 ARG HB3 1 47 PRO HD3 . . 4.200 3.549 3.098 4.184 . 0 0 "[ . 1 . 2]" 1
1116 1 46 ARG HG2 1 47 PRO HD2 . . 5.500 3.732 3.184 4.403 . 0 0 "[ . 1 . 2]" 1
1117 1 46 ARG HG2 1 47 PRO HD3 . . 4.630 4.052 3.507 4.695 0.065 12 0 "[ . 1 . 2]" 1
1118 1 46 ARG HG3 1 47 PRO HD2 . . 5.270 4.687 4.246 5.026 . 0 0 "[ . 1 . 2]" 1
1119 1 46 ARG HG3 1 47 PRO HD3 . . 5.410 5.047 4.687 5.492 0.082 7 0 "[ . 1 . 2]" 1
1120 1 47 PRO HA 1 48 VAL H . . 2.960 2.279 2.111 2.405 . 0 0 "[ . 1 . 2]" 1
1121 1 47 PRO HA 1 48 VAL QG . . 4.390 3.391 3.303 3.602 . 0 0 "[ . 1 . 2]" 1
1122 1 47 PRO HA 1 57 PHE QE . . 4.830 3.683 3.248 4.345 . 0 0 "[ . 1 . 2]" 1
1123 1 47 PRO HB2 1 48 VAL H . . 4.400 3.375 2.880 3.758 . 0 0 "[ . 1 . 2]" 1
1124 1 47 PRO HB3 1 48 VAL H . . 4.350 3.691 3.168 4.027 . 0 0 "[ . 1 . 2]" 1
1125 1 48 VAL H 1 48 VAL HB . . 3.430 3.397 2.782 3.509 0.079 5 0 "[ . 1 . 2]" 1
1126 1 48 VAL H 1 48 VAL QG . . 3.440 1.840 1.797 1.972 . 0 0 "[ . 1 . 2]" 1
1127 1 48 VAL H 1 103 GLU HB3 . . 5.130 4.018 3.492 4.486 . 0 0 "[ . 1 . 2]" 1
1128 1 48 VAL HA 1 51 ALA MB . . 5.150 4.515 3.738 5.217 0.067 6 0 "[ . 1 . 2]" 1
1129 1 48 VAL HA 1 52 SER H . . 4.680 3.797 3.055 4.763 0.083 2 0 "[ . 1 . 2]" 1
1130 1 48 VAL HA 1 52 SER HA . . 4.570 3.755 2.984 4.625 0.055 10 0 "[ . 1 . 2]" 1
1131 1 48 VAL HA 1 57 PHE QD . . 4.520 3.683 2.668 4.166 . 0 0 "[ . 1 . 2]" 1
1132 1 48 VAL HB 1 49 ASP H . . 5.400 3.859 3.511 4.265 . 0 0 "[ . 1 . 2]" 1
1133 1 48 VAL HB 1 49 ASP HA . . 5.210 4.295 3.897 5.311 0.101 18 0 "[ . 1 . 2]" 1
1134 1 48 VAL HB 1 52 SER HA . . 4.860 4.365 3.880 4.916 0.056 2 0 "[ . 1 . 2]" 1
1135 1 48 VAL HB 1 52 SER QB . . 4.190 3.149 2.528 4.185 . 0 0 "[ . 1 . 2]" 1
1136 1 48 VAL HB 1 104 SER HA . . 5.050 4.418 3.839 5.107 0.057 11 0 "[ . 1 . 2]" 1
1137 1 48 VAL HB 1 107 ALA MB . . 5.500 4.360 3.707 5.588 0.088 16 0 "[ . 1 . 2]" 1
1138 1 48 VAL QG 1 49 ASP H . . 5.480 3.429 2.581 3.675 . 0 0 "[ . 1 . 2]" 1
1139 1 48 VAL QG 1 49 ASP HA . . 4.880 4.156 2.786 4.518 . 0 0 "[ . 1 . 2]" 1
1140 1 48 VAL QG 1 50 GLN H . . 5.360 4.994 3.932 5.207 . 0 0 "[ . 1 . 2]" 1
1141 1 48 VAL QG 1 51 ALA MB . . 5.500 4.571 3.961 5.193 . 0 0 "[ . 1 . 2]" 1
1142 1 48 VAL QG 1 52 SER H . . 5.400 3.535 2.734 4.318 . 0 0 "[ . 1 . 2]" 1
1143 1 48 VAL QG 1 52 SER HA . . 4.650 2.350 2.048 2.829 . 0 0 "[ . 1 . 2]" 1
1144 1 48 VAL QG 1 52 SER QB . . 3.910 2.167 1.936 2.437 . 0 0 "[ . 1 . 2]" 1
1145 1 48 VAL QG 1 57 PHE HB2 . . 5.450 4.087 3.603 4.771 . 0 0 "[ . 1 . 2]" 1
1146 1 48 VAL QG 1 57 PHE QD . . 3.810 2.792 2.415 3.647 . 0 0 "[ . 1 . 2]" 1
1147 1 48 VAL QG 1 57 PHE QE . . 3.600 2.408 2.114 2.910 . 0 0 "[ . 1 . 2]" 1
1148 1 48 VAL QG 1 57 PHE HZ . . 5.500 3.869 3.464 4.330 . 0 0 "[ . 1 . 2]" 1
1149 1 48 VAL QG 1 100 TYR QD . . 4.840 2.847 2.491 3.821 . 0 0 "[ . 1 . 2]" 1
1150 1 48 VAL QG 1 100 TYR QE . . 4.270 2.274 1.993 3.137 . 0 0 "[ . 1 . 2]" 1
1151 1 48 VAL QG 1 103 GLU H . . 5.500 4.648 4.339 5.208 . 0 0 "[ . 1 . 2]" 1
1152 1 48 VAL QG 1 103 GLU HB2 . . 4.240 3.116 2.590 3.748 . 0 0 "[ . 1 . 2]" 1
1153 1 48 VAL QG 1 103 GLU HB3 . . 4.440 2.327 1.993 2.933 . 0 0 "[ . 1 . 2]" 1
1154 1 48 VAL QG 1 103 GLU HG2 . . 5.440 4.527 3.019 5.255 . 0 0 "[ . 1 . 2]" 1
1155 1 48 VAL QG 1 103 GLU HG3 . . 4.960 3.778 3.235 4.451 . 0 0 "[ . 1 . 2]" 1
1156 1 48 VAL QG 1 104 SER H . . 4.700 3.410 3.111 3.914 . 0 0 "[ . 1 . 2]" 1
1157 1 48 VAL QG 1 104 SER HA . . 4.200 2.592 2.083 3.104 . 0 0 "[ . 1 . 2]" 1
1158 1 48 VAL QG 1 104 SER HB2 . . 5.230 4.096 3.008 4.574 . 0 0 "[ . 1 . 2]" 1
1159 1 48 VAL QG 1 104 SER HB3 . . 5.440 4.163 3.827 4.498 . 0 0 "[ . 1 . 2]" 1
1160 1 48 VAL QG 1 107 ALA H . . 5.500 4.334 3.833 4.846 . 0 0 "[ . 1 . 2]" 1
1161 1 48 VAL QG 1 107 ALA MB . . 3.980 2.729 2.362 3.101 . 0 0 "[ . 1 . 2]" 1
1162 1 49 ASP H 1 50 GLN H . . 3.890 2.192 1.723 2.941 . 0 0 "[ . 1 . 2]" 1
1163 1 49 ASP H 1 50 GLN HA . . 5.020 4.534 4.247 4.825 . 0 0 "[ . 1 . 2]" 1
1164 1 49 ASP H 1 51 ALA H . . 5.500 2.876 2.500 3.350 . 0 0 "[ . 1 . 2]" 1
1165 1 49 ASP H 1 52 SER H . . 4.800 3.526 2.904 4.457 . 0 0 "[ . 1 . 2]" 1
1166 1 49 ASP H 1 52 SER HA . . 4.960 4.617 4.023 5.025 0.065 19 0 "[ . 1 . 2]" 1
1167 1 49 ASP H 1 52 SER QB . . 4.350 3.675 2.592 4.419 0.069 3 0 "[ . 1 . 2]" 1
1168 1 49 ASP HA 1 50 GLN HA . . 5.240 4.626 4.491 4.720 . 0 0 "[ . 1 . 2]" 1
1169 1 49 ASP HA 1 50 GLN HE22 . . 5.260 5.180 3.965 6.087 0.827 2 1 "[ + . 1 . 2]" 1
1170 1 49 ASP HA 1 51 ALA H . . 5.500 4.848 4.230 5.560 0.060 8 0 "[ . 1 . 2]" 1
1171 1 49 ASP HA 1 52 SER QB . . 4.890 4.308 3.318 4.956 0.066 11 0 "[ . 1 . 2]" 1
1172 1 49 ASP HB2 1 50 GLN H . . 3.290 3.005 2.331 3.363 0.073 9 0 "[ . 1 . 2]" 1
1173 1 49 ASP HB2 1 50 GLN HA . . 5.260 5.007 4.085 5.361 0.101 18 0 "[ . 1 . 2]" 1
1174 1 49 ASP HB2 1 51 ALA H . . 5.240 5.100 4.483 5.334 0.094 7 0 "[ . 1 . 2]" 1
1175 1 49 ASP HB3 1 50 GLN H . . 3.700 3.039 1.920 3.724 0.024 11 0 "[ . 1 . 2]" 1
1176 1 49 ASP HB3 1 50 GLN HB2 . . 5.070 4.583 3.654 5.151 0.081 11 0 "[ . 1 . 2]" 1
1177 1 49 ASP HB3 1 50 GLN HE21 . . 5.170 2.652 1.767 4.558 . 0 0 "[ . 1 . 2]" 1
1178 1 50 GLN H 1 50 GLN HB2 . . 3.270 2.393 2.008 2.571 . 0 0 "[ . 1 . 2]" 1
1179 1 50 GLN H 1 50 GLN HB3 . . 3.570 3.583 3.206 3.650 0.080 15 0 "[ . 1 . 2]" 1
1180 1 50 GLN H 1 50 GLN QG . . 3.640 3.271 2.432 3.748 0.108 7 0 "[ . 1 . 2]" 1
1181 1 50 GLN H 1 51 ALA H . . 3.280 2.336 2.019 2.758 . 0 0 "[ . 1 . 2]" 1
1182 1 50 GLN H 1 51 ALA HA . . 5.180 5.003 4.722 5.259 0.079 16 0 "[ . 1 . 2]" 1
1183 1 50 GLN H 1 51 ALA MB . . 4.190 4.013 3.500 4.281 0.091 7 0 "[ . 1 . 2]" 1
1184 1 50 GLN HA 1 50 GLN HE21 . . 5.500 3.254 2.161 4.695 . 0 0 "[ . 1 . 2]" 1
1185 1 50 GLN HA 1 50 GLN QG . . 3.420 2.539 2.173 3.124 . 0 0 "[ . 1 . 2]" 1
1186 1 50 GLN HA 1 51 ALA H . . 3.630 3.448 3.053 3.589 . 0 0 "[ . 1 . 2]" 1
1187 1 50 GLN HA 1 51 ALA HA . . 4.740 4.604 4.314 4.804 0.064 18 0 "[ . 1 . 2]" 1
1188 1 50 GLN HA 1 51 ALA MB . . 5.500 4.768 4.513 4.997 . 0 0 "[ . 1 . 2]" 1
1189 1 50 GLN HB2 1 50 GLN HE22 . . 5.390 4.364 3.628 5.228 . 0 0 "[ . 1 . 2]" 1
1190 1 50 GLN HB2 1 51 ALA H . . 4.730 3.056 2.224 3.988 . 0 0 "[ . 1 . 2]" 1
1191 1 50 GLN HB2 1 51 ALA HA . . 4.980 4.718 3.880 5.066 0.086 14 0 "[ . 1 . 2]" 1
1192 1 50 GLN HB2 1 51 ALA MB . . 4.630 3.654 3.137 4.005 . 0 0 "[ . 1 . 2]" 1
1193 1 50 GLN HB3 1 51 ALA H . . 4.980 3.747 2.443 4.456 . 0 0 "[ . 1 . 2]" 1
1194 1 50 GLN HB3 1 51 ALA MB . . 5.060 3.988 3.329 4.622 . 0 0 "[ . 1 . 2]" 1
1195 1 50 GLN HE21 1 51 ALA H . . 5.350 5.010 3.702 5.434 0.084 18 0 "[ . 1 . 2]" 1
1196 1 50 GLN QG 1 51 ALA H . . 5.330 4.506 4.011 4.946 . 0 0 "[ . 1 . 2]" 1
1197 1 50 GLN QG 1 51 ALA MB . . 5.170 5.057 4.554 5.292 0.122 10 0 "[ . 1 . 2]" 1
1198 1 51 ALA H 1 51 ALA MB . . 3.040 2.433 2.150 2.893 . 0 0 "[ . 1 . 2]" 1
1199 1 51 ALA HA 1 56 ASN QD . . 4.560 3.152 2.206 3.712 . 0 0 "[ . 1 . 2]" 1
1200 1 51 ALA MB 1 52 SER H . . 4.210 2.872 2.001 3.812 . 0 0 "[ . 1 . 2]" 1
1201 1 51 ALA MB 1 52 SER HA . . 5.160 4.068 3.238 4.486 . 0 0 "[ . 1 . 2]" 1
1202 1 51 ALA MB 1 53 ASN H . . 4.690 4.272 3.722 4.765 0.075 14 0 "[ . 1 . 2]" 1
1203 1 51 ALA MB 1 56 ASN HB2 . . 5.310 4.108 2.453 5.244 . 0 0 "[ . 1 . 2]" 1
1204 1 51 ALA MB 1 56 ASN HB3 . . 4.920 4.804 3.712 5.021 0.101 3 0 "[ . 1 . 2]" 1
1205 1 51 ALA MB 1 56 ASN QD . . 5.500 2.359 1.678 3.079 . 0 0 "[ . 1 . 2]" 1
1206 1 51 ALA MB 1 57 PHE H . . 5.310 4.468 3.911 4.918 . 0 0 "[ . 1 . 2]" 1
1207 1 51 ALA MB 1 57 PHE HA . . 4.380 4.085 3.314 4.440 0.060 17 0 "[ . 1 . 2]" 1
1208 1 51 ALA MB 1 57 PHE HB2 . . 4.190 4.051 3.288 4.285 0.095 17 0 "[ . 1 . 2]" 1
1209 1 51 ALA MB 1 57 PHE QD . . 4.270 4.148 3.367 4.390 0.120 16 0 "[ . 1 . 2]" 1
1210 1 52 SER H 1 52 SER QB . . 3.390 2.742 2.430 3.268 . 0 0 "[ . 1 . 2]" 1
1211 1 52 SER H 1 53 ASN H . . 3.910 3.893 3.423 4.022 0.112 14 0 "[ . 1 . 2]" 1
1212 1 52 SER HA 1 53 ASN H . . 3.080 2.301 1.905 3.012 . 0 0 "[ . 1 . 2]" 1
1213 1 52 SER HA 1 53 ASN HB2 . . 5.150 4.811 4.471 5.220 0.070 14 0 "[ . 1 . 2]" 1
1214 1 52 SER HA 1 56 ASN QD . . 4.680 4.310 3.640 4.606 . 0 0 "[ . 1 . 2]" 1
1215 1 52 SER QB 1 53 ASN H . . 3.870 3.691 1.685 3.978 0.108 5 0 "[ . 1 . 2]" 1
1216 1 52 SER QB 1 56 ASN QD . . 5.500 5.101 4.039 5.397 . 0 0 "[ . 1 . 2]" 1
1217 1 52 SER QB 1 57 PHE HB2 . . 5.220 5.173 4.614 5.326 0.106 9 0 "[ . 1 . 2]" 1
1218 1 52 SER QB 1 100 TYR QE . . 3.730 3.277 2.645 3.821 0.091 20 0 "[ . 1 . 2]" 1
1219 1 53 ASN H 1 53 ASN HB3 . . 3.750 3.163 2.445 3.847 0.097 14 0 "[ . 1 . 2]" 1
1220 1 53 ASN H 1 53 ASN QD . . 5.500 4.935 4.152 5.254 . 0 0 "[ . 1 . 2]" 1
1221 1 53 ASN H 1 56 ASN QD . . 4.810 3.181 2.636 3.607 . 0 0 "[ . 1 . 2]" 1
1222 1 53 ASN H 1 100 TYR QE . . 4.440 3.450 2.900 4.513 0.073 2 0 "[ . 1 . 2]" 1
1223 1 53 ASN HA 1 54 GLN H . . 3.170 2.456 2.174 2.889 . 0 0 "[ . 1 . 2]" 1
1224 1 53 ASN HA 1 55 ASN H . . 5.060 4.044 3.651 4.395 . 0 0 "[ . 1 . 2]" 1
1225 1 53 ASN HB2 1 54 GLN H . . 3.970 3.826 2.980 4.046 0.076 11 0 "[ . 1 . 2]" 1
1226 1 53 ASN HB2 1 55 ASN QB . . 5.030 4.599 3.179 5.769 0.739 4 1 "[ +. 1 . 2]" 1
1227 1 53 ASN HB2 1 56 ASN QD . . 4.390 2.532 1.893 3.833 . 0 0 "[ . 1 . 2]" 1
1228 1 53 ASN HB3 1 54 GLN H . . 3.940 3.179 2.082 3.957 0.017 20 0 "[ . 1 . 2]" 1
1229 1 53 ASN HB3 1 55 ASN H . . 4.800 2.909 2.092 4.083 . 0 0 "[ . 1 . 2]" 1
1230 1 53 ASN QD 1 55 ASN H . . 5.500 3.274 2.240 4.535 . 0 0 "[ . 1 . 2]" 1
1231 1 53 ASN QD 1 55 ASN QB . . 5.270 2.718 1.987 4.107 . 0 0 "[ . 1 . 2]" 1
1232 1 53 ASN QD 1 55 ASN QD . . 5.100 4.067 3.184 4.845 . 0 0 "[ . 1 . 2]" 1
1233 1 53 ASN QD 1 56 ASN H . . 5.500 3.273 2.164 4.971 . 0 0 "[ . 1 . 2]" 1
1234 1 53 ASN QD 1 56 ASN QD . . 5.070 3.351 2.338 4.594 . 0 0 "[ . 1 . 2]" 1
1235 1 54 GLN H 1 54 GLN HB2 . . 3.890 2.842 2.455 3.126 . 0 0 "[ . 1 . 2]" 1
1236 1 54 GLN H 1 54 GLN HB3 . . 3.900 2.640 2.316 2.972 . 0 0 "[ . 1 . 2]" 1
1237 1 54 GLN H 1 54 GLN HG2 . . 5.140 4.577 4.332 4.751 . 0 0 "[ . 1 . 2]" 1
1238 1 54 GLN H 1 55 ASN H . . 3.900 2.224 1.756 2.620 . 0 0 "[ . 1 . 2]" 1
1239 1 54 GLN H 1 56 ASN H . . 4.090 4.181 4.171 4.188 0.098 16 0 "[ . 1 . 2]" 1
1240 1 54 GLN H 1 57 PHE H . . 5.110 4.886 4.688 5.111 0.001 6 0 "[ . 1 . 2]" 1
1241 1 54 GLN H 1 100 TYR QE . . 4.420 3.954 3.147 4.508 0.088 9 0 "[ . 1 . 2]" 1
1242 1 54 GLN HA 1 54 GLN HE21 . . 5.500 4.615 3.844 5.337 . 0 0 "[ . 1 . 2]" 1
1243 1 54 GLN HA 1 57 PHE H . . 5.280 4.316 3.977 4.800 . 0 0 "[ . 1 . 2]" 1
1244 1 54 GLN HA 1 57 PHE HB3 . . 5.250 3.377 2.919 3.728 . 0 0 "[ . 1 . 2]" 1
1245 1 54 GLN HA 1 100 TYR QE . . 3.870 3.379 2.726 3.947 0.077 19 0 "[ . 1 . 2]" 1
1246 1 54 GLN HB2 1 55 ASN H . . 4.380 4.287 3.751 4.440 0.060 5 0 "[ . 1 . 2]" 1
1247 1 54 GLN HB2 1 100 TYR QE . . 3.720 2.290 2.131 2.612 . 0 0 "[ . 1 . 2]" 1
1248 1 54 GLN HB3 1 55 ASN H . . 3.860 3.468 2.613 3.953 0.093 6 0 "[ . 1 . 2]" 1
1249 1 54 GLN HB3 1 100 TYR QE . . 4.350 3.926 3.553 4.227 . 0 0 "[ . 1 . 2]" 1
1250 1 54 GLN HE21 1 58 VAL MG1 . . 5.500 5.147 4.620 5.583 0.083 11 0 "[ . 1 . 2]" 1
1251 1 54 GLN HE21 1 97 VAL HA . . 5.500 3.904 2.553 5.363 . 0 0 "[ . 1 . 2]" 1
1252 1 54 GLN HE21 1 97 VAL QG . . 4.080 2.375 1.625 2.757 . 0 0 "[ . 1 . 2]" 1
1253 1 54 GLN HE21 1 100 TYR QD . . 5.500 3.503 1.836 5.330 . 0 0 "[ . 1 . 2]" 1
1254 1 54 GLN HE21 1 101 GLN HE21 . . 4.090 3.741 2.624 4.165 0.075 9 0 "[ . 1 . 2]" 1
1255 1 54 GLN HE22 1 58 VAL MG2 . . 5.500 5.126 4.614 5.613 0.113 13 0 "[ . 1 . 2]" 1
1256 1 54 GLN HE22 1 97 VAL QG . . 4.290 2.741 2.364 3.191 . 0 0 "[ . 1 . 2]" 1
1257 1 54 GLN HE22 1 101 GLN HE21 . . 3.630 3.273 2.193 3.704 0.074 10 0 "[ . 1 . 2]" 1
1258 1 54 GLN HE22 1 101 GLN HE22 . . 4.010 3.856 2.834 4.091 0.081 6 0 "[ . 1 . 2]" 1
1259 1 54 GLN HG2 1 55 ASN H . . 5.190 4.649 3.831 5.039 . 0 0 "[ . 1 . 2]" 1
1260 1 54 GLN HG2 1 55 ASN HA . . 5.330 4.579 3.409 5.364 0.034 7 0 "[ . 1 . 2]" 1
1261 1 54 GLN HG2 1 58 VAL MG1 . . 5.500 4.233 3.328 5.069 . 0 0 "[ . 1 . 2]" 1
1262 1 54 GLN HG2 1 58 VAL MG2 . . 4.090 3.156 2.172 4.132 0.042 20 0 "[ . 1 . 2]" 1
1263 1 54 GLN HG2 1 97 VAL QG . . 5.500 3.273 2.030 4.163 . 0 0 "[ . 1 . 2]" 1
1264 1 54 GLN HG3 1 58 VAL MG1 . . 4.040 4.131 3.643 4.966 0.926 14 1 "[ . 1 +. 2]" 1
1265 1 54 GLN HG3 1 58 VAL MG2 . . 4.320 2.438 2.170 2.979 . 0 0 "[ . 1 . 2]" 1
1266 1 54 GLN HG3 1 97 VAL QG . . 3.810 3.006 2.010 3.476 . 0 0 "[ . 1 . 2]" 1
1267 1 54 GLN HG3 1 100 TYR QE . . 4.480 3.867 2.937 4.562 0.082 5 0 "[ . 1 . 2]" 1
1268 1 55 ASN H 1 55 ASN QB . . 3.260 2.228 1.961 2.606 . 0 0 "[ . 1 . 2]" 1
1269 1 55 ASN H 1 55 ASN QD . . 4.690 3.842 2.792 4.489 . 0 0 "[ . 1 . 2]" 1
1270 1 55 ASN H 1 56 ASN H . . 3.620 2.463 2.170 2.812 . 0 0 "[ . 1 . 2]" 1
1271 1 55 ASN H 1 56 ASN HA . . 5.500 5.007 4.745 5.434 . 0 0 "[ . 1 . 2]" 1
1272 1 55 ASN H 1 57 PHE H . . 3.930 3.944 3.495 4.019 0.089 14 0 "[ . 1 . 2]" 1
1273 1 55 ASN HA 1 58 VAL H . . 4.580 4.284 4.018 4.619 0.039 16 0 "[ . 1 . 2]" 1
1274 1 55 ASN HA 1 58 VAL HB . . 3.680 3.243 3.084 3.526 . 0 0 "[ . 1 . 2]" 1
1275 1 55 ASN HA 1 58 VAL MG1 . . 4.610 4.174 3.691 4.595 . 0 0 "[ . 1 . 2]" 1
1276 1 55 ASN HA 1 58 VAL MG2 . . 4.610 4.131 3.280 4.457 . 0 0 "[ . 1 . 2]" 1
1277 1 55 ASN QB 1 56 ASN H . . 3.700 2.301 2.023 2.535 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ASN QB 1 56 ASN HB3 . . 4.040 3.472 2.927 4.002 . 0 0 "[ . 1 . 2]" 1
1279 1 55 ASN QB 1 58 VAL HB . . 5.500 5.018 4.861 5.149 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ASN QD 1 56 ASN H . . 5.280 4.528 2.902 5.031 . 0 0 "[ . 1 . 2]" 1
1281 1 56 ASN H 1 56 ASN HB2 . . 3.480 3.547 3.190 3.578 0.098 16 0 "[ . 1 . 2]" 1
1282 1 56 ASN H 1 56 ASN QB . . 3.460 2.540 2.108 2.999 . 0 0 "[ . 1 . 2]" 1
1283 1 56 ASN H 1 56 ASN HB3 . . 3.670 2.617 2.139 3.255 . 0 0 "[ . 1 . 2]" 1
1284 1 56 ASN H 1 56 ASN QD . . 5.000 3.186 2.223 3.823 . 0 0 "[ . 1 . 2]" 1
1285 1 56 ASN H 1 57 PHE H . . 3.630 2.646 2.423 2.935 . 0 0 "[ . 1 . 2]" 1
1286 1 56 ASN HA 1 59 HIS H . . 4.400 3.227 2.657 3.525 . 0 0 "[ . 1 . 2]" 1
1287 1 56 ASN HA 1 59 HIS HB2 . . 3.910 3.365 2.536 3.821 . 0 0 "[ . 1 . 2]" 1
1288 1 56 ASN HA 1 59 HIS HB3 . . 3.600 2.561 2.257 2.968 . 0 0 "[ . 1 . 2]" 1
1289 1 56 ASN QB 1 57 PHE H . . 4.110 3.438 3.111 3.720 . 0 0 "[ . 1 . 2]" 1
1290 1 56 ASN HB2 1 57 PHE H . . 4.490 3.854 3.225 4.324 . 0 0 "[ . 1 . 2]" 1
1291 1 56 ASN HB3 1 57 PHE H . . 4.000 3.975 3.256 4.096 0.096 8 0 "[ . 1 . 2]" 1
1292 1 57 PHE H 1 57 PHE HB2 . . 3.480 2.516 2.335 2.624 . 0 0 "[ . 1 . 2]" 1
1293 1 57 PHE H 1 57 PHE QD . . 4.470 4.235 4.180 4.326 . 0 0 "[ . 1 . 2]" 1
1294 1 57 PHE H 1 58 VAL H . . 4.030 2.653 2.478 2.871 . 0 0 "[ . 1 . 2]" 1
1295 1 57 PHE H 1 58 VAL HB . . 5.320 4.590 4.203 4.980 . 0 0 "[ . 1 . 2]" 1
1296 1 57 PHE H 1 58 VAL MG2 . . 5.500 4.015 3.676 4.549 . 0 0 "[ . 1 . 2]" 1
1297 1 57 PHE HA 1 57 PHE QD . . 4.340 3.301 3.198 3.417 . 0 0 "[ . 1 . 2]" 1
1298 1 57 PHE HA 1 58 VAL HA . . 5.030 4.816 4.719 4.892 . 0 0 "[ . 1 . 2]" 1
1299 1 57 PHE HA 1 60 ASP H . . 4.740 4.172 3.812 4.576 . 0 0 "[ . 1 . 2]" 1
1300 1 57 PHE HA 1 60 ASP HB2 . . 4.500 4.107 2.518 4.543 0.043 20 0 "[ . 1 . 2]" 1
1301 1 57 PHE HA 1 60 ASP HB3 . . 4.520 3.594 3.042 4.165 . 0 0 "[ . 1 . 2]" 1
1302 1 57 PHE HA 1 61 CYS H . . 5.070 4.201 3.816 4.423 . 0 0 "[ . 1 . 2]" 1
1303 1 57 PHE HB2 1 100 TYR QE . . 4.280 3.976 3.101 4.386 0.106 17 0 "[ . 1 . 2]" 1
1304 1 57 PHE HB3 1 58 VAL H . . 4.310 2.440 2.266 2.684 . 0 0 "[ . 1 . 2]" 1
1305 1 57 PHE HB3 1 58 VAL HB . . 5.180 4.423 4.115 4.791 . 0 0 "[ . 1 . 2]" 1
1306 1 57 PHE HB3 1 58 VAL MG2 . . 4.650 2.742 2.348 3.025 . 0 0 "[ . 1 . 2]" 1
1307 1 57 PHE HB3 1 100 TYR QD . . 4.430 3.684 3.249 4.250 . 0 0 "[ . 1 . 2]" 1
1308 1 57 PHE QD 1 58 VAL H . . 4.570 3.184 2.914 3.493 . 0 0 "[ . 1 . 2]" 1
1309 1 57 PHE QD 1 58 VAL HA . . 3.900 2.758 2.502 2.901 . 0 0 "[ . 1 . 2]" 1
1310 1 57 PHE QD 1 58 VAL MG1 . . 4.620 4.378 3.839 4.710 0.090 5 0 "[ . 1 . 2]" 1
1311 1 57 PHE QD 1 58 VAL MG2 . . 3.530 2.517 2.185 2.998 . 0 0 "[ . 1 . 2]" 1
1312 1 57 PHE QD 1 100 TYR HB2 . . 4.280 2.640 2.346 2.934 . 0 0 "[ . 1 . 2]" 1
1313 1 57 PHE QD 1 100 TYR HB3 . . 4.430 4.183 3.943 4.469 0.039 7 0 "[ . 1 . 2]" 1
1314 1 57 PHE QD 1 100 TYR QD . . 4.320 3.176 2.935 3.520 . 0 0 "[ . 1 . 2]" 1
1315 1 57 PHE QD 1 100 TYR QE . . 4.080 3.799 3.360 4.182 0.102 17 0 "[ . 1 . 2]" 1
1316 1 57 PHE QE 1 58 VAL HA . . 4.440 4.421 4.120 4.515 0.075 5 0 "[ . 1 . 2]" 1
1317 1 57 PHE QE 1 58 VAL MG2 . . 4.380 3.915 3.466 4.486 0.106 6 0 "[ . 1 . 2]" 1
1318 1 57 PHE QE 1 99 GLN H . . 5.430 5.016 4.587 5.413 . 0 0 "[ . 1 . 2]" 1
1319 1 57 PHE QE 1 99 GLN HB2 . . 5.500 4.122 3.278 5.135 . 0 0 "[ . 1 . 2]" 1
1320 1 57 PHE QE 1 99 GLN HB3 . . 3.860 3.232 2.444 3.945 0.085 6 0 "[ . 1 . 2]" 1
1321 1 57 PHE QE 1 100 TYR H . . 3.980 3.024 2.798 3.276 . 0 0 "[ . 1 . 2]" 1
1322 1 57 PHE QE 1 100 TYR HB2 . . 3.980 2.615 2.241 2.964 . 0 0 "[ . 1 . 2]" 1
1323 1 57 PHE QE 1 100 TYR QD . . 4.290 3.232 2.956 3.410 . 0 0 "[ . 1 . 2]" 1
1324 1 57 PHE QE 1 100 TYR QE . . 4.800 4.577 4.096 4.880 0.080 1 0 "[ . 1 . 2]" 1
1325 1 57 PHE QE 1 103 GLU HG3 . . 5.410 4.191 3.386 5.423 0.013 10 0 "[ . 1 . 2]" 1
1326 1 57 PHE HZ 1 99 GLN HB3 . . 4.270 3.664 2.566 4.340 0.070 16 0 "[ . 1 . 2]" 1
1327 1 57 PHE HZ 1 100 TYR H . . 4.560 4.324 3.904 4.625 0.065 18 0 "[ . 1 . 2]" 1
1328 1 58 VAL H 1 58 VAL HB . . 3.530 2.287 2.047 2.584 . 0 0 "[ . 1 . 2]" 1
1329 1 58 VAL H 1 58 VAL MG1 . . 4.420 3.681 3.552 3.736 . 0 0 "[ . 1 . 2]" 1
1330 1 58 VAL H 1 58 VAL MG2 . . 3.610 2.153 1.830 2.526 . 0 0 "[ . 1 . 2]" 1
1331 1 58 VAL H 1 59 HIS H . . 3.840 2.710 2.395 3.011 . 0 0 "[ . 1 . 2]" 1
1332 1 58 VAL H 1 59 HIS HB3 . . 5.180 4.854 4.350 5.235 0.055 12 0 "[ . 1 . 2]" 1
1333 1 58 VAL HA 1 58 VAL MG1 . . 3.260 2.550 2.371 2.783 . 0 0 "[ . 1 . 2]" 1
1334 1 58 VAL HA 1 58 VAL MG2 . . 3.370 2.340 2.200 2.549 . 0 0 "[ . 1 . 2]" 1
1335 1 58 VAL HA 1 59 HIS HA . . 5.030 4.847 4.739 4.932 . 0 0 "[ . 1 . 2]" 1
1336 1 58 VAL HA 1 61 CYS H . . 3.990 3.620 3.406 3.951 . 0 0 "[ . 1 . 2]" 1
1337 1 58 VAL HA 1 61 CYS HB2 . . 5.230 3.358 2.153 4.120 . 0 0 "[ . 1 . 2]" 1
1338 1 58 VAL HA 1 61 CYS HB3 . . 4.030 2.872 2.194 4.888 0.858 6 1 "[ .+ 1 . 2]" 1
1339 1 58 VAL HA 1 62 VAL H . . 4.770 3.989 3.757 4.443 . 0 0 "[ . 1 . 2]" 1
1340 1 58 VAL HA 1 96 CYS HB3 . . 3.650 2.812 2.188 3.703 0.053 7 0 "[ . 1 . 2]" 1
1341 1 58 VAL HB 1 59 HIS H . . 3.740 2.698 2.376 2.938 . 0 0 "[ . 1 . 2]" 1
1342 1 58 VAL HB 1 59 HIS HA . . 4.910 4.575 4.214 4.839 . 0 0 "[ . 1 . 2]" 1
1343 1 58 VAL MG1 1 59 HIS H . . 4.170 3.420 2.850 3.878 . 0 0 "[ . 1 . 2]" 1
1344 1 58 VAL MG1 1 93 GLU HG2 . . 3.980 2.990 2.037 3.679 . 0 0 "[ . 1 . 2]" 1
1345 1 58 VAL MG1 1 93 GLU HG3 . . 3.890 2.633 2.108 3.862 . 0 0 "[ . 1 . 2]" 1
1346 1 58 VAL MG1 1 96 CYS HB3 . . 4.080 2.912 2.261 4.151 0.071 5 0 "[ . 1 . 2]" 1
1347 1 58 VAL MG1 1 97 VAL H . . 4.920 3.540 2.624 4.685 . 0 0 "[ . 1 . 2]" 1
1348 1 58 VAL MG2 1 59 HIS H . . 4.810 3.986 3.578 4.105 . 0 0 "[ . 1 . 2]" 1
1349 1 58 VAL MG2 1 96 CYS HB3 . . 4.750 3.176 2.377 4.416 . 0 0 "[ . 1 . 2]" 1
1350 1 58 VAL MG2 1 97 VAL HA . . 3.590 2.612 2.080 3.557 . 0 0 "[ . 1 . 2]" 1
1351 1 58 VAL MG2 1 97 VAL QG . . 4.360 2.507 1.920 3.031 . 0 0 "[ . 1 . 2]" 1
1352 1 58 VAL MG2 1 100 TYR H . . 5.500 4.220 3.413 5.235 . 0 0 "[ . 1 . 2]" 1
1353 1 58 VAL MG2 1 100 TYR HB2 . . 5.060 2.938 2.224 3.573 . 0 0 "[ . 1 . 2]" 1
1354 1 58 VAL MG2 1 100 TYR HB3 . . 5.110 3.350 2.526 3.931 . 0 0 "[ . 1 . 2]" 1
1355 1 58 VAL MG2 1 100 TYR QD . . 4.270 3.539 2.864 4.062 . 0 0 "[ . 1 . 2]" 1
1356 1 59 HIS H 1 59 HIS HB2 . . 3.350 2.409 2.279 2.570 . 0 0 "[ . 1 . 2]" 1
1357 1 59 HIS H 1 59 HIS HB3 . . 3.460 2.485 2.303 2.711 . 0 0 "[ . 1 . 2]" 1
1358 1 59 HIS H 1 60 ASP H . . 3.660 2.848 2.607 3.008 . 0 0 "[ . 1 . 2]" 1
1359 1 59 HIS H 1 60 ASP HB2 . . 5.230 4.897 4.244 5.338 0.108 14 0 "[ . 1 . 2]" 1
1360 1 59 HIS H 1 60 ASP HB3 . . 5.460 5.217 4.644 5.540 0.080 6 0 "[ . 1 . 2]" 1
1361 1 59 HIS H 1 62 VAL H . . 5.500 4.694 4.504 4.797 . 0 0 "[ . 1 . 2]" 1
1362 1 59 HIS HA 1 59 HIS HD2 . . 3.470 2.931 2.638 3.551 0.081 2 0 "[ . 1 . 2]" 1
1363 1 59 HIS HA 1 62 VAL H . . 4.540 3.503 3.162 3.791 . 0 0 "[ . 1 . 2]" 1
1364 1 59 HIS HA 1 62 VAL HB . . 3.670 2.696 2.239 2.974 . 0 0 "[ . 1 . 2]" 1
1365 1 59 HIS HA 1 62 VAL MG2 . . 4.330 3.668 2.951 4.287 . 0 0 "[ . 1 . 2]" 1
1366 1 59 HIS HA 1 63 ASN H . . 4.720 3.936 3.610 4.229 . 0 0 "[ . 1 . 2]" 1
1367 1 59 HIS HB2 1 60 ASP H . . 4.070 3.745 3.607 3.897 . 0 0 "[ . 1 . 2]" 1
1368 1 59 HIS HB3 1 60 ASP H . . 3.630 2.368 2.142 2.603 . 0 0 "[ . 1 . 2]" 1
1369 1 59 HIS HB3 1 60 ASP HA . . 4.980 4.360 4.184 4.578 . 0 0 "[ . 1 . 2]" 1
1370 1 59 HIS HB3 1 60 ASP HB2 . . 5.500 4.018 3.687 4.487 . 0 0 "[ . 1 . 2]" 1
1371 1 59 HIS HB3 1 63 ASN HD21 . . 5.500 4.990 4.444 5.340 . 0 0 "[ . 1 . 2]" 1
1372 1 59 HIS HD2 1 60 ASP H . . 4.120 4.041 3.092 4.203 0.083 5 0 "[ . 1 . 2]" 1
1373 1 59 HIS HD2 1 60 ASP HA . . 3.970 3.706 2.720 4.039 0.069 10 0 "[ . 1 . 2]" 1
1374 1 59 HIS HD2 1 63 ASN H . . 3.760 3.339 2.845 3.838 0.078 16 0 "[ . 1 . 2]" 1
1375 1 59 HIS HD2 1 63 ASN HD21 . . 3.360 3.019 2.365 3.435 0.075 3 0 "[ . 1 . 2]" 1
1376 1 59 HIS HE1 1 63 ASN HD22 . . 4.290 4.167 3.593 4.370 0.080 14 0 "[ . 1 . 2]" 1
1377 1 60 ASP H 1 60 ASP HB2 . . 3.340 2.214 2.109 2.436 . 0 0 "[ . 1 . 2]" 1
1378 1 60 ASP H 1 60 ASP HB3 . . 3.440 2.782 2.352 3.356 . 0 0 "[ . 1 . 2]" 1
1379 1 60 ASP H 1 61 CYS H . . 3.530 2.759 2.568 3.023 . 0 0 "[ . 1 . 2]" 1
1380 1 60 ASP H 1 62 VAL H . . 5.140 4.383 4.181 4.579 . 0 0 "[ . 1 . 2]" 1
1381 1 60 ASP H 1 62 VAL HB . . 5.500 5.232 4.997 5.466 . 0 0 "[ . 1 . 2]" 1
1382 1 60 ASP H 1 63 ASN H . . 5.070 4.814 4.686 4.937 . 0 0 "[ . 1 . 2]" 1
1383 1 60 ASP H 1 63 ASN HB2 . . 5.240 4.747 4.520 4.931 . 0 0 "[ . 1 . 2]" 1
1384 1 60 ASP H 1 63 ASN HD21 . . 4.510 4.565 4.372 4.592 0.082 1 0 "[ . 1 . 2]" 1
1385 1 60 ASP H 1 63 ASN HD22 . . 5.480 5.416 4.981 5.552 0.072 2 0 "[ . 1 . 2]" 1
1386 1 60 ASP HA 1 63 ASN H . . 4.150 3.591 3.393 4.004 . 0 0 "[ . 1 . 2]" 1
1387 1 60 ASP HA 1 63 ASN HB2 . . 3.660 2.308 2.194 2.474 . 0 0 "[ . 1 . 2]" 1
1388 1 60 ASP HA 1 63 ASN HB3 . . 3.720 3.781 3.760 3.806 0.086 11 0 "[ . 1 . 2]" 1
1389 1 60 ASP HA 1 63 ASN HD21 . . 4.700 2.489 2.134 2.859 . 0 0 "[ . 1 . 2]" 1
1390 1 60 ASP HA 1 63 ASN HD22 . . 5.470 3.985 3.337 4.542 . 0 0 "[ . 1 . 2]" 1
1391 1 60 ASP HA 1 64 ILE H . . 4.780 3.830 3.681 3.955 . 0 0 "[ . 1 . 2]" 1
1392 1 60 ASP HA 1 64 ILE HG12 . . 5.230 4.355 3.870 4.901 . 0 0 "[ . 1 . 2]" 1
1393 1 60 ASP HB2 1 61 CYS H . . 3.530 3.628 3.080 3.804 0.274 20 0 "[ . 1 . 2]" 1
1394 1 60 ASP HB3 1 61 CYS H . . 3.730 2.639 2.254 2.915 . 0 0 "[ . 1 . 2]" 1
1395 1 61 CYS H 1 61 CYS HB3 . . 3.580 2.718 2.190 3.719 0.139 4 0 "[ . 1 . 2]" 1
1396 1 61 CYS H 1 62 VAL H . . 3.690 2.884 2.740 3.079 . 0 0 "[ . 1 . 2]" 1
1397 1 61 CYS HA 1 64 ILE HB . . 4.850 3.049 2.565 3.494 . 0 0 "[ . 1 . 2]" 1
1398 1 61 CYS HA 1 64 ILE MG . . 3.920 3.879 3.334 4.030 0.110 14 0 "[ . 1 . 2]" 1
1399 1 61 CYS HB3 1 62 VAL H . . 4.610 2.767 2.313 3.777 . 0 0 "[ . 1 . 2]" 1
1400 1 61 CYS HB3 1 62 VAL MG2 . . 4.890 3.809 2.882 4.896 0.006 13 0 "[ . 1 . 2]" 1
1401 1 61 CYS HB3 1 96 CYS HB3 . . 4.460 3.147 2.377 4.915 0.455 13 0 "[ . 1 . 2]" 1
1402 1 62 VAL H 1 62 VAL HB . . 3.470 2.259 2.133 2.365 . 0 0 "[ . 1 . 2]" 1
1403 1 62 VAL H 1 62 VAL MG1 . . 4.250 3.687 3.448 3.749 . 0 0 "[ . 1 . 2]" 1
1404 1 62 VAL H 1 62 VAL MG2 . . 3.350 2.537 2.287 3.252 . 0 0 "[ . 1 . 2]" 1
1405 1 62 VAL H 1 63 ASN H . . 3.780 2.860 2.718 3.012 . 0 0 "[ . 1 . 2]" 1
1406 1 62 VAL H 1 92 VAL QG . . 5.250 3.734 3.116 4.385 . 0 0 "[ . 1 . 2]" 1
1407 1 62 VAL H 1 96 CYS HB3 . . 5.050 4.674 3.969 5.088 0.038 20 0 "[ . 1 . 2]" 1
1408 1 62 VAL HA 1 62 VAL MG1 . . 3.290 2.656 2.542 2.949 . 0 0 "[ . 1 . 2]" 1
1409 1 62 VAL HA 1 62 VAL MG2 . . 3.490 2.248 2.184 2.312 . 0 0 "[ . 1 . 2]" 1
1410 1 62 VAL HA 1 65 THR H . . 4.730 3.755 3.523 4.171 . 0 0 "[ . 1 . 2]" 1
1411 1 62 VAL HA 1 65 THR HB . . 4.020 3.176 2.909 3.545 . 0 0 "[ . 1 . 2]" 1
1412 1 62 VAL HA 1 65 THR HG1 . . 4.800 3.875 3.501 4.806 0.006 16 0 "[ . 1 . 2]" 1
1413 1 62 VAL HA 1 65 THR MG . . 4.590 4.514 4.266 4.688 0.098 11 0 "[ . 1 . 2]" 1
1414 1 62 VAL HA 1 66 ILE H . . 4.600 3.649 3.496 3.791 . 0 0 "[ . 1 . 2]" 1
1415 1 62 VAL HA 1 66 ILE MD . . 5.480 3.782 3.285 4.094 . 0 0 "[ . 1 . 2]" 1
1416 1 62 VAL HA 1 66 ILE HG13 . . 5.500 3.607 3.328 4.290 . 0 0 "[ . 1 . 2]" 1
1417 1 62 VAL HA 1 66 ILE MG . . 5.500 5.534 5.003 5.604 0.104 12 0 "[ . 1 . 2]" 1
1418 1 62 VAL HA 1 92 VAL QG . . 3.230 2.024 1.892 2.441 . 0 0 "[ . 1 . 2]" 1
1419 1 62 VAL HB 1 63 ASN H . . 3.490 2.662 2.418 3.254 . 0 0 "[ . 1 . 2]" 1
1420 1 62 VAL MG1 1 63 ASN H . . 4.050 2.840 2.324 3.595 . 0 0 "[ . 1 . 2]" 1
1421 1 62 VAL MG1 1 63 ASN HA . . 4.030 3.324 3.024 3.784 . 0 0 "[ . 1 . 2]" 1
1422 1 62 VAL MG1 1 63 ASN HB2 . . 5.270 4.703 4.248 4.921 . 0 0 "[ . 1 . 2]" 1
1423 1 62 VAL MG1 1 63 ASN HB3 . . 5.500 5.288 4.810 5.595 0.095 11 0 "[ . 1 . 2]" 1
1424 1 62 VAL MG1 1 63 ASN HD22 . . 5.500 5.357 4.773 5.594 0.094 12 0 "[ . 1 . 2]" 1
1425 1 62 VAL MG1 1 65 THR HB . . 5.500 4.926 4.536 5.501 0.001 11 0 "[ . 1 . 2]" 1
1426 1 62 VAL MG1 1 66 ILE H . . 4.790 4.240 3.945 4.865 0.075 11 0 "[ . 1 . 2]" 1
1427 1 62 VAL MG1 1 66 ILE HB . . 4.700 3.628 3.276 4.030 . 0 0 "[ . 1 . 2]" 1
1428 1 62 VAL MG1 1 66 ILE MD . . 3.140 2.003 1.919 2.255 . 0 0 "[ . 1 . 2]" 1
1429 1 62 VAL MG1 1 66 ILE HG13 . . 4.450 3.203 2.769 3.908 . 0 0 "[ . 1 . 2]" 1
1430 1 62 VAL MG1 1 89 GLU H . . 5.500 4.725 4.249 5.135 . 0 0 "[ . 1 . 2]" 1
1431 1 62 VAL MG1 1 89 GLU HA . . 3.810 2.514 2.040 3.027 . 0 0 "[ . 1 . 2]" 1
1432 1 62 VAL MG1 1 89 GLU HB2 . . 5.190 4.491 3.989 4.980 . 0 0 "[ . 1 . 2]" 1
1433 1 62 VAL MG1 1 89 GLU HB3 . . 4.860 3.305 2.577 3.957 . 0 0 "[ . 1 . 2]" 1
1434 1 62 VAL MG1 1 89 GLU HG2 . . 4.390 2.994 2.545 3.501 . 0 0 "[ . 1 . 2]" 1
1435 1 62 VAL MG1 1 89 GLU HG3 . . 4.350 4.230 3.941 4.439 0.089 10 0 "[ . 1 . 2]" 1
1436 1 62 VAL MG1 1 92 VAL H . . 5.500 4.983 4.446 5.582 0.082 14 0 "[ . 1 . 2]" 1
1437 1 62 VAL MG1 1 92 VAL QG . . 3.560 3.006 2.137 3.571 0.011 14 0 "[ . 1 . 2]" 1
1438 1 62 VAL MG1 1 93 GLU H . . 5.360 4.587 4.139 5.256 . 0 0 "[ . 1 . 2]" 1
1439 1 62 VAL MG2 1 63 ASN H . . 4.410 4.040 3.889 4.248 . 0 0 "[ . 1 . 2]" 1
1440 1 62 VAL MG2 1 65 THR HB . . 5.200 4.587 4.241 5.010 . 0 0 "[ . 1 . 2]" 1
1441 1 62 VAL MG2 1 65 THR MG . . 5.500 5.091 4.682 5.372 . 0 0 "[ . 1 . 2]" 1
1442 1 62 VAL MG2 1 66 ILE MD . . 4.890 3.564 2.777 3.842 . 0 0 "[ . 1 . 2]" 1
1443 1 62 VAL MG2 1 66 ILE HG12 . . 5.500 5.499 4.683 5.609 0.109 19 0 "[ . 1 . 2]" 1
1444 1 62 VAL MG2 1 66 ILE HG13 . . 5.500 4.271 3.503 4.503 . 0 0 "[ . 1 . 2]" 1
1445 1 62 VAL MG2 1 92 VAL QG . . 3.050 2.099 1.910 2.225 . 0 0 "[ . 1 . 2]" 1
1446 1 62 VAL MG2 1 93 GLU H . . 3.960 3.040 2.780 3.410 . 0 0 "[ . 1 . 2]" 1
1447 1 62 VAL MG2 1 93 GLU HA . . 2.910 2.489 2.212 2.844 . 0 0 "[ . 1 . 2]" 1
1448 1 62 VAL MG2 1 93 GLU HB2 . . 4.290 2.770 2.242 4.028 . 0 0 "[ . 1 . 2]" 1
1449 1 62 VAL MG2 1 93 GLU HB3 . . 4.370 3.931 3.600 4.442 0.072 14 0 "[ . 1 . 2]" 1
1450 1 62 VAL MG2 1 94 GLN H . . 5.360 4.905 4.704 5.110 . 0 0 "[ . 1 . 2]" 1
1451 1 62 VAL MG2 1 96 CYS HB2 . . 4.220 3.680 2.587 4.298 0.078 7 0 "[ . 1 . 2]" 1
1452 1 62 VAL MG2 1 96 CYS HB3 . . 4.420 3.854 2.899 4.522 0.102 14 0 "[ . 1 . 2]" 1
1453 1 63 ASN H 1 63 ASN HB2 . . 3.200 2.374 2.182 2.545 . 0 0 "[ . 1 . 2]" 1
1454 1 63 ASN H 1 64 ILE H . . 3.860 3.079 2.665 3.257 . 0 0 "[ . 1 . 2]" 1
1455 1 63 ASN H 1 66 ILE MD . . 5.500 4.593 4.217 5.121 . 0 0 "[ . 1 . 2]" 1
1456 1 63 ASN H 1 66 ILE MG . . 5.500 5.582 5.451 5.608 0.108 11 0 "[ . 1 . 2]" 1
1457 1 63 ASN HA 1 63 ASN HD21 . . 4.770 4.446 4.381 4.510 . 0 0 "[ . 1 . 2]" 1
1458 1 63 ASN HA 1 63 ASN HD22 . . 5.160 4.564 4.467 4.677 . 0 0 "[ . 1 . 2]" 1
1459 1 63 ASN HA 1 65 THR H . . 5.500 4.973 4.727 5.228 . 0 0 "[ . 1 . 2]" 1
1460 1 63 ASN HA 1 66 ILE H . . 5.010 4.250 4.033 4.543 . 0 0 "[ . 1 . 2]" 1
1461 1 63 ASN HA 1 66 ILE HB . . 4.000 3.156 2.898 3.441 . 0 0 "[ . 1 . 2]" 1
1462 1 63 ASN HA 1 66 ILE MD . . 4.770 3.811 3.411 4.301 . 0 0 "[ . 1 . 2]" 1
1463 1 63 ASN HA 1 66 ILE MG . . 5.160 3.736 3.448 3.979 . 0 0 "[ . 1 . 2]" 1
1464 1 63 ASN HB2 1 64 ILE H . . 3.580 2.485 2.305 2.601 . 0 0 "[ . 1 . 2]" 1
1465 1 63 ASN HB2 1 64 ILE MD . . 4.640 4.246 4.079 4.361 . 0 0 "[ . 1 . 2]" 1
1466 1 63 ASN HB2 1 64 ILE HG12 . . 4.940 4.030 3.727 4.271 . 0 0 "[ . 1 . 2]" 1
1467 1 63 ASN HB3 1 64 ILE H . . 3.590 3.016 2.815 3.194 . 0 0 "[ . 1 . 2]" 1
1468 1 63 ASN HB3 1 64 ILE HA . . 5.200 3.897 3.724 4.045 . 0 0 "[ . 1 . 2]" 1
1469 1 63 ASN HB3 1 64 ILE HB . . 4.930 4.836 4.498 5.003 0.073 17 0 "[ . 1 . 2]" 1
1470 1 63 ASN HD21 1 64 ILE H . . 5.250 4.735 4.582 4.839 . 0 0 "[ . 1 . 2]" 1
1471 1 63 ASN HD21 1 64 ILE MD . . 5.290 5.359 5.141 5.391 0.101 7 0 "[ . 1 . 2]" 1
1472 1 63 ASN HD21 1 64 ILE HG12 . . 5.500 5.451 5.077 5.582 0.082 16 0 "[ . 1 . 2]" 1
1473 1 64 ILE H 1 64 ILE HB . . 3.270 2.192 1.950 2.280 . 0 0 "[ . 1 . 2]" 1
1474 1 64 ILE H 1 64 ILE MD . . 4.390 3.454 3.248 3.681 . 0 0 "[ . 1 . 2]" 1
1475 1 64 ILE H 1 64 ILE HG12 . . 4.020 2.974 2.800 3.259 . 0 0 "[ . 1 . 2]" 1
1476 1 64 ILE H 1 64 ILE HG13 . . 4.200 4.149 4.001 4.275 0.075 16 0 "[ . 1 . 2]" 1
1477 1 64 ILE H 1 64 ILE MG . . 3.650 3.606 3.279 3.697 0.047 11 0 "[ . 1 . 2]" 1
1478 1 64 ILE H 1 65 THR H . . 3.150 2.836 2.731 2.965 . 0 0 "[ . 1 . 2]" 1
1479 1 64 ILE H 1 65 THR HG1 . . 5.270 4.514 4.173 5.322 0.052 16 0 "[ . 1 . 2]" 1
1480 1 64 ILE HA 1 64 ILE MD . . 3.370 1.994 1.954 2.015 . 0 0 "[ . 1 . 2]" 1
1481 1 64 ILE HA 1 64 ILE HG12 . . 4.010 3.225 3.051 3.321 . 0 0 "[ . 1 . 2]" 1
1482 1 64 ILE HA 1 64 ILE MG . . 3.650 2.728 2.637 3.004 . 0 0 "[ . 1 . 2]" 1
1483 1 64 ILE HA 1 67 LYS H . . 3.950 3.298 3.053 3.517 . 0 0 "[ . 1 . 2]" 1
1484 1 64 ILE HA 1 67 LYS QB . . 3.450 2.276 2.023 2.586 . 0 0 "[ . 1 . 2]" 1
1485 1 64 ILE HA 1 67 LYS QD . . 4.820 3.947 2.869 4.887 0.067 7 0 "[ . 1 . 2]" 1
1486 1 64 ILE HA 1 67 LYS QE . . 5.390 4.850 2.894 5.476 0.086 20 0 "[ . 1 . 2]" 1
1487 1 64 ILE HA 1 67 LYS QG . . 5.170 3.964 3.530 4.654 . 0 0 "[ . 1 . 2]" 1
1488 1 64 ILE HA 1 68 GLN H . . 4.880 4.459 3.948 4.818 . 0 0 "[ . 1 . 2]" 1
1489 1 64 ILE HB 1 64 ILE MD . . 3.630 3.258 3.185 3.282 . 0 0 "[ . 1 . 2]" 1
1490 1 64 ILE HB 1 65 THR H . . 3.760 2.869 2.718 3.223 . 0 0 "[ . 1 . 2]" 1
1491 1 64 ILE MD 1 65 THR H . . 5.480 4.732 4.669 4.827 . 0 0 "[ . 1 . 2]" 1
1492 1 64 ILE MD 1 67 LYS H . . 5.500 4.569 4.198 4.770 . 0 0 "[ . 1 . 2]" 1
1493 1 64 ILE MD 1 67 LYS HA . . 5.500 5.546 5.079 5.611 0.111 19 0 "[ . 1 . 2]" 1
1494 1 64 ILE MD 1 67 LYS QB . . 4.370 2.948 2.494 3.068 . 0 0 "[ . 1 . 2]" 1
1495 1 64 ILE MD 1 67 LYS QD . . 4.510 3.337 2.351 4.400 . 0 0 "[ . 1 . 2]" 1
1496 1 64 ILE MD 1 67 LYS QE . . 4.510 3.647 2.134 4.441 . 0 0 "[ . 1 . 2]" 1
1497 1 64 ILE MD 1 67 LYS QG . . 5.500 3.577 3.120 4.316 . 0 0 "[ . 1 . 2]" 1
1498 1 64 ILE MD 1 68 GLN QE . . 5.500 3.753 2.126 5.270 . 0 0 "[ . 1 . 2]" 1
1499 1 64 ILE MD 1 68 GLN QG . . 5.400 4.009 3.146 5.049 . 0 0 "[ . 1 . 2]" 1
1500 1 64 ILE HG12 1 64 ILE MG . . 3.710 3.085 2.984 3.144 . 0 0 "[ . 1 . 2]" 1
1501 1 64 ILE MG 1 65 THR H . . 3.760 2.801 2.385 3.023 . 0 0 "[ . 1 . 2]" 1
1502 1 64 ILE MG 1 65 THR HA . . 4.380 2.886 2.628 3.161 . 0 0 "[ . 1 . 2]" 1
1503 1 64 ILE MG 1 65 THR HG1 . . 4.570 3.404 2.923 3.896 . 0 0 "[ . 1 . 2]" 1
1504 1 64 ILE MG 1 65 THR MG . . 5.500 4.227 3.967 4.465 . 0 0 "[ . 1 . 2]" 1
1505 1 64 ILE MG 1 66 ILE H . . 5.500 4.702 4.491 4.834 . 0 0 "[ . 1 . 2]" 1
1506 1 64 ILE MG 1 67 LYS QB . . 4.750 3.847 3.662 4.254 . 0 0 "[ . 1 . 2]" 1
1507 1 64 ILE MG 1 68 GLN H . . 5.500 4.387 3.957 4.752 . 0 0 "[ . 1 . 2]" 1
1508 1 64 ILE MG 1 68 GLN QG . . 4.660 2.788 2.004 4.033 . 0 0 "[ . 1 . 2]" 1
1509 1 64 ILE MG 1 92 VAL QG . . 5.500 5.094 4.724 5.324 . 0 0 "[ . 1 . 2]" 1
1510 1 65 THR H 1 65 THR HB . . 3.380 2.469 2.297 2.563 . 0 0 "[ . 1 . 2]" 1
1511 1 65 THR H 1 65 THR HG1 . . 3.350 2.195 1.965 2.815 . 0 0 "[ . 1 . 2]" 1
1512 1 65 THR H 1 65 THR MG . . 4.320 3.742 3.700 3.789 . 0 0 "[ . 1 . 2]" 1
1513 1 65 THR H 1 66 ILE H . . 3.440 2.656 2.520 2.798 . 0 0 "[ . 1 . 2]" 1
1514 1 65 THR H 1 66 ILE HB . . 4.970 4.465 4.253 4.619 . 0 0 "[ . 1 . 2]" 1
1515 1 65 THR H 1 67 LYS H . . 4.300 4.156 3.797 4.358 0.058 5 0 "[ . 1 . 2]" 1
1516 1 65 THR H 1 68 GLN H . . 4.800 4.822 4.591 4.896 0.096 14 0 "[ . 1 . 2]" 1
1517 1 65 THR H 1 92 VAL QG . . 4.950 3.691 3.408 4.090 . 0 0 "[ . 1 . 2]" 1
1518 1 65 THR HA 1 65 THR MG . . 3.480 2.445 2.372 2.573 . 0 0 "[ . 1 . 2]" 1
1519 1 65 THR HA 1 68 GLN HB2 . . 4.820 2.539 2.312 2.911 . 0 0 "[ . 1 . 2]" 1
1520 1 65 THR HA 1 68 GLN HB3 . . 4.530 4.142 3.832 4.587 0.057 13 0 "[ . 1 . 2]" 1
1521 1 65 THR HB 1 66 ILE H . . 3.740 2.698 2.462 2.987 . 0 0 "[ . 1 . 2]" 1
1522 1 65 THR HB 1 66 ILE HA . . 5.270 4.573 4.321 4.848 . 0 0 "[ . 1 . 2]" 1
1523 1 65 THR HB 1 66 ILE MD . . 5.460 4.977 4.635 5.511 0.051 16 0 "[ . 1 . 2]" 1
1524 1 65 THR HB 1 92 VAL QG . . 3.520 2.015 1.899 2.297 . 0 0 "[ . 1 . 2]" 1
1525 1 65 THR HG1 1 66 ILE H . . 4.530 4.118 3.884 4.602 0.072 16 0 "[ . 1 . 2]" 1
1526 1 65 THR HG1 1 92 VAL QG . . 4.460 3.024 2.651 3.491 . 0 0 "[ . 1 . 2]" 1
1527 1 65 THR MG 1 66 ILE H . . 4.600 3.662 3.431 3.818 . 0 0 "[ . 1 . 2]" 1
1528 1 65 THR MG 1 66 ILE HA . . 4.540 4.021 3.762 4.224 . 0 0 "[ . 1 . 2]" 1
1529 1 65 THR MG 1 66 ILE HG13 . . 4.470 4.188 3.824 4.523 0.053 15 0 "[ . 1 . 2]" 1
1530 1 65 THR MG 1 69 HIS H . . 5.310 4.315 3.791 4.977 . 0 0 "[ . 1 . 2]" 1
1531 1 65 THR MG 1 69 HIS HB2 . . 5.280 3.785 3.250 4.221 . 0 0 "[ . 1 . 2]" 1
1532 1 65 THR MG 1 69 HIS HB3 . . 5.360 4.928 3.274 5.447 0.087 15 0 "[ . 1 . 2]" 1
1533 1 65 THR MG 1 69 HIS HD2 . . 4.700 4.102 2.583 4.797 0.097 14 0 "[ . 1 . 2]" 1
1534 1 65 THR MG 1 92 VAL HA . . 5.500 4.354 3.609 4.726 . 0 0 "[ . 1 . 2]" 1
1535 1 65 THR MG 1 92 VAL HB . . 5.500 4.034 2.341 4.692 . 0 0 "[ . 1 . 2]" 1
1536 1 65 THR MG 1 92 VAL QG . . 3.580 2.148 1.952 2.351 . 0 0 "[ . 1 . 2]" 1
1537 1 65 THR MG 1 95 MET HB2 . . 5.480 5.217 4.695 5.557 0.077 13 0 "[ . 1 . 2]" 1
1538 1 65 THR MG 1 95 MET ME . . 5.150 3.395 3.007 3.729 . 0 0 "[ . 1 . 2]" 1
1539 1 66 ILE H 1 66 ILE HB . . 3.160 2.180 2.065 2.284 . 0 0 "[ . 1 . 2]" 1
1540 1 66 ILE H 1 66 ILE MD . . 4.160 3.701 3.452 3.884 . 0 0 "[ . 1 . 2]" 1
1541 1 66 ILE H 1 66 ILE HG12 . . 4.040 3.711 3.466 4.061 0.021 3 0 "[ . 1 . 2]" 1
1542 1 66 ILE H 1 66 ILE HG13 . . 3.630 2.521 2.221 2.918 . 0 0 "[ . 1 . 2]" 1
1543 1 66 ILE H 1 66 ILE MG . . 3.890 3.631 3.523 3.709 . 0 0 "[ . 1 . 2]" 1
1544 1 66 ILE H 1 67 LYS H . . 3.550 2.821 2.674 2.959 . 0 0 "[ . 1 . 2]" 1
1545 1 66 ILE H 1 67 LYS QB . . 5.110 4.424 4.216 4.585 . 0 0 "[ . 1 . 2]" 1
1546 1 66 ILE H 1 68 GLN H . . 4.840 3.975 3.791 4.122 . 0 0 "[ . 1 . 2]" 1
1547 1 66 ILE H 1 92 VAL QG . . 4.420 3.315 3.036 3.684 . 0 0 "[ . 1 . 2]" 1
1548 1 66 ILE HA 1 66 ILE MD . . 3.970 3.719 3.640 3.847 . 0 0 "[ . 1 . 2]" 1
1549 1 66 ILE HA 1 66 ILE HG12 . . 3.650 2.296 2.192 2.465 . 0 0 "[ . 1 . 2]" 1
1550 1 66 ILE HA 1 66 ILE HG13 . . 3.950 2.723 2.362 2.913 . 0 0 "[ . 1 . 2]" 1
1551 1 66 ILE HA 1 66 ILE MG . . 3.410 2.746 2.633 2.944 . 0 0 "[ . 1 . 2]" 1
1552 1 66 ILE HA 1 69 HIS H . . 4.460 3.301 2.950 3.722 . 0 0 "[ . 1 . 2]" 1
1553 1 66 ILE HA 1 69 HIS HB2 . . 4.580 3.165 2.332 4.652 0.072 8 0 "[ . 1 . 2]" 1
1554 1 66 ILE HA 1 69 HIS HB3 . . 4.010 3.632 2.977 4.103 0.093 6 0 "[ . 1 . 2]" 1
1555 1 66 ILE HA 1 70 THR H . . 5.200 4.206 3.556 4.717 . 0 0 "[ . 1 . 2]" 1
1556 1 66 ILE HA 1 88 MET ME . . 4.460 3.480 2.598 4.014 . 0 0 "[ . 1 . 2]" 1
1557 1 66 ILE HA 1 92 VAL QG . . 4.820 3.933 3.444 4.277 . 0 0 "[ . 1 . 2]" 1
1558 1 66 ILE HB 1 66 ILE MD . . 3.510 2.481 2.331 2.589 . 0 0 "[ . 1 . 2]" 1
1559 1 66 ILE HB 1 67 LYS H . . 3.750 2.705 2.381 3.055 . 0 0 "[ . 1 . 2]" 1
1560 1 66 ILE HB 1 88 MET ME . . 5.500 5.267 4.539 5.602 0.102 4 0 "[ . 1 . 2]" 1
1561 1 66 ILE HB 1 89 GLU HG2 . . 5.500 5.222 4.794 5.560 0.060 15 0 "[ . 1 . 2]" 1
1562 1 66 ILE MD 1 66 ILE MG . . 2.900 2.083 2.034 2.194 . 0 0 "[ . 1 . 2]" 1
1563 1 66 ILE MD 1 67 LYS H . . 5.380 4.762 4.462 4.933 . 0 0 "[ . 1 . 2]" 1
1564 1 66 ILE MD 1 85 VAL HA . . 5.110 3.882 3.578 4.148 . 0 0 "[ . 1 . 2]" 1
1565 1 66 ILE MD 1 85 VAL MG1 . . 2.620 2.295 2.142 2.572 . 0 0 "[ . 1 . 2]" 1
1566 1 66 ILE MD 1 85 VAL MG2 . . 4.510 4.055 3.701 4.413 . 0 0 "[ . 1 . 2]" 1
1567 1 66 ILE MD 1 88 MET HB2 . . 4.740 4.607 4.080 4.837 0.097 7 0 "[ . 1 . 2]" 1
1568 1 66 ILE MD 1 88 MET HB3 . . 4.870 3.249 2.598 3.608 . 0 0 "[ . 1 . 2]" 1
1569 1 66 ILE MD 1 88 MET ME . . 4.030 3.689 3.003 4.143 0.113 5 0 "[ . 1 . 2]" 1
1570 1 66 ILE MD 1 88 MET HG2 . . 4.810 2.782 2.381 3.572 . 0 0 "[ . 1 . 2]" 1
1571 1 66 ILE MD 1 88 MET HG3 . . 5.130 4.053 3.277 4.886 . 0 0 "[ . 1 . 2]" 1
1572 1 66 ILE MD 1 89 GLU H . . 4.440 3.160 2.814 3.385 . 0 0 "[ . 1 . 2]" 1
1573 1 66 ILE MD 1 89 GLU HA . . 3.230 2.193 1.994 2.389 . 0 0 "[ . 1 . 2]" 1
1574 1 66 ILE MD 1 89 GLU HB2 . . 4.860 4.066 3.829 4.281 . 0 0 "[ . 1 . 2]" 1
1575 1 66 ILE MD 1 89 GLU HB3 . . 4.840 3.831 3.413 4.298 . 0 0 "[ . 1 . 2]" 1
1576 1 66 ILE MD 1 89 GLU HG2 . . 4.070 2.102 1.927 2.447 . 0 0 "[ . 1 . 2]" 1
1577 1 66 ILE MD 1 89 GLU HG3 . . 3.510 2.920 2.173 3.492 . 0 0 "[ . 1 . 2]" 1
1578 1 66 ILE MD 1 90 ARG H . . 5.370 4.836 4.515 5.163 . 0 0 "[ . 1 . 2]" 1
1579 1 66 ILE MD 1 92 VAL H . . 4.970 4.683 4.350 5.065 0.095 5 0 "[ . 1 . 2]" 1
1580 1 66 ILE MD 1 92 VAL HB . . 4.520 3.974 3.410 4.626 0.106 7 0 "[ . 1 . 2]" 1
1581 1 66 ILE MD 1 92 VAL QG . . 3.840 3.064 2.221 3.614 . 0 0 "[ . 1 . 2]" 1
1582 1 66 ILE HG12 1 85 VAL MG1 . . 3.390 3.405 3.009 3.489 0.099 4 0 "[ . 1 . 2]" 1
1583 1 66 ILE HG12 1 88 MET ME . . 4.080 2.932 2.108 3.482 . 0 0 "[ . 1 . 2]" 1
1584 1 66 ILE HG12 1 92 VAL QG . . 4.380 3.424 2.776 4.047 . 0 0 "[ . 1 . 2]" 1
1585 1 66 ILE HG13 1 92 VAL QG . . 4.000 2.608 2.101 3.041 . 0 0 "[ . 1 . 2]" 1
1586 1 66 ILE MG 1 67 LYS H . . 4.010 2.844 2.521 3.072 . 0 0 "[ . 1 . 2]" 1
1587 1 66 ILE MG 1 67 LYS HA . . 4.370 3.278 2.916 3.581 . 0 0 "[ . 1 . 2]" 1
1588 1 66 ILE MG 1 67 LYS QD . . 4.930 4.826 4.444 5.045 0.115 9 0 "[ . 1 . 2]" 1
1589 1 66 ILE MG 1 67 LYS QG . . 5.330 4.825 4.173 5.078 . 0 0 "[ . 1 . 2]" 1
1590 1 66 ILE MG 1 70 THR H . . 5.180 4.376 3.998 4.764 . 0 0 "[ . 1 . 2]" 1
1591 1 66 ILE MG 1 70 THR MG . . 3.660 2.966 2.192 3.768 0.108 10 0 "[ . 1 . 2]" 1
1592 1 66 ILE MG 1 85 VAL MG2 . . 3.730 3.282 2.812 3.706 . 0 0 "[ . 1 . 2]" 1
1593 1 66 ILE MG 1 88 MET ME . . 4.110 3.393 2.567 4.195 0.085 20 0 "[ . 1 . 2]" 1
1594 1 66 ILE MG 1 88 MET HG3 . . 5.500 5.632 5.423 5.921 0.421 16 0 "[ . 1 . 2]" 1
1595 1 66 ILE MG 1 89 GLU HA . . 5.160 5.197 4.931 5.277 0.117 5 0 "[ . 1 . 2]" 1
1596 1 67 LYS H 1 67 LYS QB . . 3.390 2.124 2.072 2.240 . 0 0 "[ . 1 . 2]" 1
1597 1 67 LYS H 1 67 LYS QD . . 5.050 4.190 3.939 4.688 . 0 0 "[ . 1 . 2]" 1
1598 1 67 LYS H 1 67 LYS QG . . 4.380 3.907 3.798 3.960 . 0 0 "[ . 1 . 2]" 1
1599 1 67 LYS H 1 68 GLN H . . 3.780 2.931 2.757 3.195 . 0 0 "[ . 1 . 2]" 1
1600 1 67 LYS HA 1 67 LYS QD . . 4.150 3.475 2.788 3.946 . 0 0 "[ . 1 . 2]" 1
1601 1 67 LYS HA 1 67 LYS QE . . 5.060 4.567 4.093 5.023 . 0 0 "[ . 1 . 2]" 1
1602 1 67 LYS HA 1 67 LYS QG . . 3.770 2.391 2.146 2.595 . 0 0 "[ . 1 . 2]" 1
1603 1 67 LYS HA 1 70 THR H . . 4.380 3.468 2.945 3.977 . 0 0 "[ . 1 . 2]" 1
1604 1 67 LYS HA 1 70 THR HB . . 3.840 3.214 2.213 3.940 0.100 9 0 "[ . 1 . 2]" 1
1605 1 67 LYS HA 1 70 THR MG . . 4.910 4.095 2.644 4.993 0.083 14 0 "[ . 1 . 2]" 1
1606 1 67 LYS HA 1 71 VAL QG . . 4.920 3.288 2.125 4.152 . 0 0 "[ . 1 . 2]" 1
1607 1 67 LYS QB 1 67 LYS QD . . 3.250 2.100 1.998 2.362 . 0 0 "[ . 1 . 2]" 1
1608 1 67 LYS QB 1 67 LYS QE . . 3.800 3.287 2.067 3.611 . 0 0 "[ . 1 . 2]" 1
1609 1 67 LYS QB 1 68 GLN H . . 3.690 3.245 2.689 3.724 0.034 4 0 "[ . 1 . 2]" 1
1610 1 67 LYS QB 1 71 VAL QG . . 5.010 3.997 3.540 4.335 . 0 0 "[ . 1 . 2]" 1
1611 1 67 LYS QD 1 71 VAL QG . . 4.260 3.751 2.882 4.250 . 0 0 "[ . 1 . 2]" 1
1612 1 67 LYS QE 1 67 LYS QG . . 3.480 2.189 2.013 2.480 . 0 0 "[ . 1 . 2]" 1
1613 1 67 LYS QE 1 71 VAL QG . . 4.640 3.584 2.873 4.379 . 0 0 "[ . 1 . 2]" 1
1614 1 67 LYS QG 1 68 GLN H . . 5.350 4.187 3.656 4.484 . 0 0 "[ . 1 . 2]" 1
1615 1 67 LYS QG 1 68 GLN QE . . 5.500 3.220 2.158 5.069 . 0 0 "[ . 1 . 2]" 1
1616 1 67 LYS QG 1 68 GLN QG . . 5.100 4.146 3.554 4.791 . 0 0 "[ . 1 . 2]" 1
1617 1 67 LYS QG 1 71 VAL H . . 5.500 4.635 3.578 5.348 . 0 0 "[ . 1 . 2]" 1
1618 1 67 LYS QG 1 71 VAL QG . . 3.750 2.481 2.069 2.838 . 0 0 "[ . 1 . 2]" 1
1619 1 68 GLN H 1 68 GLN HB2 . . 3.610 2.385 2.106 2.590 . 0 0 "[ . 1 . 2]" 1
1620 1 68 GLN H 1 68 GLN HB3 . . 3.830 3.596 3.394 3.751 . 0 0 "[ . 1 . 2]" 1
1621 1 68 GLN H 1 68 GLN QE . . 5.230 4.032 3.324 4.897 . 0 0 "[ . 1 . 2]" 1
1622 1 68 GLN H 1 68 GLN QG . . 3.730 3.095 2.602 3.607 . 0 0 "[ . 1 . 2]" 1
1623 1 68 GLN H 1 69 HIS H . . 3.520 2.220 1.858 2.479 . 0 0 "[ . 1 . 2]" 1
1624 1 68 GLN H 1 69 HIS HB3 . . 5.310 5.110 3.580 5.404 0.094 1 0 "[ . 1 . 2]" 1
1625 1 68 GLN H 1 69 HIS HD2 . . 5.500 5.167 3.969 5.596 0.096 8 0 "[ . 1 . 2]" 1
1626 1 68 GLN H 1 70 THR H . . 4.530 3.432 2.872 3.785 . 0 0 "[ . 1 . 2]" 1
1627 1 68 GLN H 1 71 VAL H . . 5.250 4.579 3.864 4.897 . 0 0 "[ . 1 . 2]" 1
1628 1 68 GLN H 1 71 VAL QG . . 5.500 4.520 4.174 4.944 . 0 0 "[ . 1 . 2]" 1
1629 1 68 GLN H 1 72 THR H . . 4.910 4.981 4.928 5.004 0.094 3 0 "[ . 1 . 2]" 1
1630 1 68 GLN HA 1 68 GLN QE . . 4.470 2.802 2.006 3.692 . 0 0 "[ . 1 . 2]" 1
1631 1 68 GLN HA 1 68 GLN QG . . 4.010 2.677 1.973 3.198 . 0 0 "[ . 1 . 2]" 1
1632 1 68 GLN HA 1 71 VAL H . . 4.140 3.603 3.063 4.200 0.060 8 0 "[ . 1 . 2]" 1
1633 1 68 GLN HA 1 71 VAL QG . . 3.880 3.334 2.483 3.902 0.022 5 0 "[ . 1 . 2]" 1
1634 1 68 GLN HA 1 72 THR H . . 3.180 2.794 2.364 3.270 0.090 4 0 "[ . 1 . 2]" 1
1635 1 68 GLN HA 1 72 THR HB . . 4.550 2.760 1.890 3.889 . 0 0 "[ . 1 . 2]" 1
1636 1 68 GLN HA 1 72 THR MG . . 4.140 2.960 1.998 3.846 . 0 0 "[ . 1 . 2]" 1
1637 1 68 GLN HB2 1 69 HIS H . . 4.390 3.055 2.410 3.795 . 0 0 "[ . 1 . 2]" 1
1638 1 68 GLN HB2 1 72 THR MG . . 4.960 4.283 3.535 5.055 0.095 9 0 "[ . 1 . 2]" 1
1639 1 68 GLN HB3 1 69 HIS H . . 4.130 3.750 3.043 4.443 0.313 3 0 "[ . 1 . 2]" 1
1640 1 68 GLN HB3 1 72 THR MG . . 4.040 2.948 2.203 3.721 . 0 0 "[ . 1 . 2]" 1
1641 1 68 GLN QE 1 71 VAL QG . . 5.040 3.601 2.120 4.697 . 0 0 "[ . 1 . 2]" 1
1642 1 68 GLN QE 1 72 THR H . . 5.500 4.573 3.186 5.570 0.070 16 0 "[ . 1 . 2]" 1
1643 1 68 GLN QE 1 72 THR MG . . 4.660 3.503 1.981 4.765 0.105 18 0 "[ . 1 . 2]" 1
1644 1 68 GLN QG 1 69 HIS H . . 5.370 4.459 4.010 4.940 . 0 0 "[ . 1 . 2]" 1
1645 1 68 GLN QG 1 71 VAL QG . . 5.500 4.629 3.807 5.087 . 0 0 "[ . 1 . 2]" 1
1646 1 68 GLN QG 1 72 THR MG . . 5.180 3.650 2.552 4.441 . 0 0 "[ . 1 . 2]" 1
1647 1 69 HIS H 1 69 HIS HB2 . . 3.460 2.287 2.009 3.245 . 0 0 "[ . 1 . 2]" 1
1648 1 69 HIS H 1 69 HIS HB3 . . 3.960 3.140 2.195 3.430 . 0 0 "[ . 1 . 2]" 1
1649 1 69 HIS H 1 69 HIS HD2 . . 4.210 3.531 2.443 4.282 0.072 3 0 "[ . 1 . 2]" 1
1650 1 69 HIS H 1 70 THR H . . 3.630 2.467 1.643 3.006 . 0 0 "[ . 1 . 2]" 1
1651 1 69 HIS H 1 70 THR MG . . 5.500 5.180 4.298 5.618 0.118 14 0 "[ . 1 . 2]" 1
1652 1 69 HIS HA 1 69 HIS HD2 . . 4.200 2.990 2.444 4.109 . 0 0 "[ . 1 . 2]" 1
1653 1 69 HIS HA 1 71 VAL H . . 5.230 4.220 3.762 5.282 0.052 14 0 "[ . 1 . 2]" 1
1654 1 69 HIS HA 1 72 THR H . . 4.730 4.387 3.870 4.798 0.068 16 0 "[ . 1 . 2]" 1
1655 1 69 HIS HA 1 72 THR MG . . 5.020 4.288 3.329 5.112 0.092 5 0 "[ . 1 . 2]" 1
1656 1 69 HIS HA 1 73 THR HB . . 5.340 2.222 1.932 3.099 . 0 0 "[ . 1 . 2]" 1
1657 1 69 HIS HA 1 73 THR MG . . 5.500 3.031 2.327 3.609 . 0 0 "[ . 1 . 2]" 1
1658 1 69 HIS HB2 1 69 HIS HD2 . . 3.540 3.075 2.734 3.599 0.059 4 0 "[ . 1 . 2]" 1
1659 1 69 HIS HB2 1 70 THR H . . 4.650 3.872 3.493 4.415 . 0 0 "[ . 1 . 2]" 1
1660 1 69 HIS HB3 1 70 THR H . . 4.210 3.722 3.195 4.100 . 0 0 "[ . 1 . 2]" 1
1661 1 69 HIS HB3 1 70 THR MG . . 5.250 4.776 3.221 5.349 0.099 6 0 "[ . 1 . 2]" 1
1662 1 69 HIS HD2 1 73 THR MG . . 4.560 4.108 3.311 4.663 0.103 4 0 "[ . 1 . 2]" 1
1663 1 69 HIS HE1 1 73 THR MG . . 3.720 3.436 2.812 3.812 0.092 16 0 "[ . 1 . 2]" 1
1664 1 70 THR H 1 70 THR HB . . 3.680 2.927 2.469 3.652 . 0 0 "[ . 1 . 2]" 1
1665 1 70 THR H 1 70 THR MG . . 4.200 3.596 2.829 3.901 . 0 0 "[ . 1 . 2]" 1
1666 1 70 THR H 1 71 VAL H . . 3.400 2.088 1.907 2.272 . 0 0 "[ . 1 . 2]" 1
1667 1 70 THR H 1 71 VAL QG . . 4.570 3.720 3.173 4.139 . 0 0 "[ . 1 . 2]" 1
1668 1 70 THR H 1 72 THR H . . 3.520 3.603 3.588 3.613 0.093 2 0 "[ . 1 . 2]" 1
1669 1 70 THR HA 1 70 THR MG . . 3.440 2.304 2.157 2.397 . 0 0 "[ . 1 . 2]" 1
1670 1 70 THR HA 1 71 VAL H . . 3.570 3.382 3.231 3.640 0.070 14 0 "[ . 1 . 2]" 1
1671 1 70 THR HA 1 71 VAL QG . . 5.480 4.592 4.001 4.997 . 0 0 "[ . 1 . 2]" 1
1672 1 70 THR HA 1 80 PHE QD . . 3.840 3.403 2.750 3.925 0.085 4 0 "[ . 1 . 2]" 1
1673 1 70 THR HB 1 71 VAL H . . 3.590 3.483 2.465 3.674 0.084 1 0 "[ . 1 . 2]" 1
1674 1 70 THR HB 1 71 VAL QG . . 4.970 3.649 2.354 4.516 . 0 0 "[ . 1 . 2]" 1
1675 1 70 THR MG 1 71 VAL H . . 4.250 4.202 3.807 4.344 0.094 11 0 "[ . 1 . 2]" 1
1676 1 70 THR MG 1 80 PHE HB2 . . 5.500 3.600 2.765 4.456 . 0 0 "[ . 1 . 2]" 1
1677 1 70 THR MG 1 80 PHE HB3 . . 5.500 4.664 3.609 5.564 0.064 18 0 "[ . 1 . 2]" 1
1678 1 70 THR MG 1 80 PHE QD . . 4.180 3.960 3.233 4.305 0.125 17 0 "[ . 1 . 2]" 1
1679 1 70 THR MG 1 85 VAL MG2 . . 3.850 2.741 1.950 3.799 . 0 0 "[ . 1 . 2]" 1
1680 1 71 VAL H 1 71 VAL HB . . 3.140 2.799 2.547 3.068 . 0 0 "[ . 1 . 2]" 1
1681 1 71 VAL H 1 71 VAL QG . . 3.100 2.621 1.888 2.918 . 0 0 "[ . 1 . 2]" 1
1682 1 71 VAL H 1 72 THR H . . 3.030 2.076 1.830 3.026 . 0 0 "[ . 1 . 2]" 1
1683 1 71 VAL HA 1 71 VAL QG . . 3.180 2.086 2.025 2.149 . 0 0 "[ . 1 . 2]" 1
1684 1 71 VAL HA 1 73 THR H . . 4.780 3.873 3.641 4.193 . 0 0 "[ . 1 . 2]" 1
1685 1 71 VAL HA 1 74 THR H . . 4.430 4.106 3.797 4.307 . 0 0 "[ . 1 . 2]" 1
1686 1 71 VAL HA 1 74 THR HB . . 4.030 3.394 2.734 4.096 0.066 18 0 "[ . 1 . 2]" 1
1687 1 71 VAL HA 1 75 THR H . . 5.220 4.407 3.812 4.928 . 0 0 "[ . 1 . 2]" 1
1688 1 71 VAL HA 1 75 THR MG . . 4.390 3.891 3.026 4.283 . 0 0 "[ . 1 . 2]" 1
1689 1 71 VAL HB 1 72 THR H . . 3.340 3.105 2.318 3.438 0.098 11 0 "[ . 1 . 2]" 1
1690 1 71 VAL HB 1 72 THR HA . . 5.470 4.948 3.737 5.555 0.085 6 0 "[ . 1 . 2]" 1
1691 1 71 VAL HB 1 73 THR H . . 5.500 5.057 4.557 5.548 0.048 8 0 "[ . 1 . 2]" 1
1692 1 71 VAL QG 1 72 THR H . . 3.960 2.606 1.847 3.559 . 0 0 "[ . 1 . 2]" 1
1693 1 71 VAL QG 1 72 THR HA . . 4.990 3.427 3.011 4.169 . 0 0 "[ . 1 . 2]" 1
1694 1 71 VAL QG 1 73 THR H . . 4.910 4.171 3.951 4.482 . 0 0 "[ . 1 . 2]" 1
1695 1 71 VAL QG 1 74 THR H . . 5.500 4.855 4.718 4.971 . 0 0 "[ . 1 . 2]" 1
1696 1 71 VAL QG 1 75 THR H . . 5.500 4.953 4.312 5.279 . 0 0 "[ . 1 . 2]" 1
1697 1 71 VAL QG 1 75 THR HB . . 5.500 3.968 3.322 4.679 . 0 0 "[ . 1 . 2]" 1
1698 1 71 VAL QG 1 75 THR MG . . 3.430 3.379 3.020 3.538 0.108 9 0 "[ . 1 . 2]" 1
1699 1 72 THR H 1 72 THR HB . . 2.990 2.470 2.089 2.937 . 0 0 "[ . 1 . 2]" 1
1700 1 72 THR H 1 72 THR MG . . 3.660 3.115 2.172 3.758 0.098 11 0 "[ . 1 . 2]" 1
1701 1 72 THR H 1 74 THR H . . 4.280 4.268 3.801 4.361 0.081 4 0 "[ . 1 . 2]" 1
1702 1 72 THR MG 1 73 THR HB . . 4.570 4.427 3.740 4.677 0.107 16 0 "[ . 1 . 2]" 1
1703 1 73 THR H 1 73 THR HB . . 3.560 2.649 2.248 2.992 . 0 0 "[ . 1 . 2]" 1
1704 1 73 THR H 1 74 THR H . . 2.960 2.162 1.886 2.408 . 0 0 "[ . 1 . 2]" 1
1705 1 73 THR H 1 74 THR HB . . 4.440 3.990 3.649 4.337 . 0 0 "[ . 1 . 2]" 1
1706 1 73 THR H 1 75 THR MG . . 4.070 3.609 2.967 4.137 0.067 2 0 "[ . 1 . 2]" 1
1707 1 73 THR HA 1 73 THR MG . . 3.120 2.504 2.310 2.765 . 0 0 "[ . 1 . 2]" 1
1708 1 73 THR HA 1 76 LYS HB2 . . 4.430 2.624 2.283 3.277 . 0 0 "[ . 1 . 2]" 1
1709 1 73 THR HA 1 76 LYS QE . . 4.750 3.778 2.764 4.584 . 0 0 "[ . 1 . 2]" 1
1710 1 73 THR HA 1 78 GLU H . . 4.960 4.485 3.801 5.003 0.043 8 0 "[ . 1 . 2]" 1
1711 1 73 THR HA 1 78 GLU QB . . 4.760 4.015 3.672 4.319 . 0 0 "[ . 1 . 2]" 1
1712 1 73 THR HB 1 74 THR H . . 3.850 2.577 2.234 3.006 . 0 0 "[ . 1 . 2]" 1
1713 1 73 THR HB 1 78 GLU QB . . 3.770 3.732 3.107 3.861 0.091 5 0 "[ . 1 . 2]" 1
1714 1 73 THR HB 1 78 GLU QG . . 4.440 4.377 3.644 4.530 0.090 7 0 "[ . 1 . 2]" 1
1715 1 73 THR HB 1 80 PHE QE . . 5.500 3.558 2.612 5.577 0.077 4 0 "[ . 1 . 2]" 1
1716 1 73 THR MG 1 74 THR H . . 4.040 3.387 2.970 3.918 . 0 0 "[ . 1 . 2]" 1
1717 1 73 THR MG 1 74 THR HA . . 5.220 3.876 3.597 4.208 . 0 0 "[ . 1 . 2]" 1
1718 1 73 THR MG 1 75 THR H . . 5.250 4.696 4.423 4.972 . 0 0 "[ . 1 . 2]" 1
1719 1 73 THR MG 1 76 LYS HB3 . . 5.500 5.310 4.808 5.696 0.196 12 0 "[ . 1 . 2]" 1
1720 1 73 THR MG 1 76 LYS QE . . 5.500 5.199 4.360 5.627 0.127 4 0 "[ . 1 . 2]" 1
1721 1 73 THR MG 1 78 GLU H . . 5.500 3.733 3.228 4.263 . 0 0 "[ . 1 . 2]" 1
1722 1 73 THR MG 1 78 GLU QB . . 3.680 2.119 1.976 2.564 . 0 0 "[ . 1 . 2]" 1
1723 1 73 THR MG 1 78 GLU QG . . 4.710 2.258 2.042 2.705 . 0 0 "[ . 1 . 2]" 1
1724 1 73 THR MG 1 79 ASN H . . 5.500 5.314 5.063 5.583 0.083 4 0 "[ . 1 . 2]" 1
1725 1 73 THR MG 1 80 PHE H . . 5.500 5.354 4.816 5.601 0.101 6 0 "[ . 1 . 2]" 1
1726 1 73 THR MG 1 80 PHE QE . . 4.030 2.561 2.134 4.082 0.052 4 0 "[ . 1 . 2]" 1
1727 1 74 THR H 1 74 THR HB . . 2.970 2.412 2.208 2.710 . 0 0 "[ . 1 . 2]" 1
1728 1 74 THR H 1 74 THR MG . . 3.780 3.676 3.482 3.768 . 0 0 "[ . 1 . 2]" 1
1729 1 74 THR H 1 75 THR H . . 3.180 2.891 2.684 3.021 . 0 0 "[ . 1 . 2]" 1
1730 1 74 THR H 1 78 GLU QB . . 5.030 3.483 3.159 3.781 . 0 0 "[ . 1 . 2]" 1
1731 1 74 THR H 1 80 PHE H . . 5.500 5.432 5.046 5.579 0.079 19 0 "[ . 1 . 2]" 1
1732 1 74 THR HA 1 74 THR MG . . 3.270 2.485 2.306 2.628 . 0 0 "[ . 1 . 2]" 1
1733 1 74 THR HA 1 75 THR H . . 3.440 3.288 3.180 3.487 0.047 2 0 "[ . 1 . 2]" 1
1734 1 74 THR HA 1 78 GLU H . . 4.210 2.848 2.185 3.305 . 0 0 "[ . 1 . 2]" 1
1735 1 74 THR HA 1 78 GLU QB . . 4.600 2.329 2.093 2.652 . 0 0 "[ . 1 . 2]" 1
1736 1 74 THR HA 1 79 ASN HA . . 4.370 3.388 2.869 3.744 . 0 0 "[ . 1 . 2]" 1
1737 1 74 THR HB 1 75 THR H . . 3.540 3.511 2.728 3.625 0.085 7 0 "[ . 1 . 2]" 1
1738 1 74 THR HB 1 78 GLU QB . . 4.620 4.502 4.174 4.707 0.087 17 0 "[ . 1 . 2]" 1
1739 1 74 THR HB 1 79 ASN HA . . 4.600 4.600 4.347 4.689 0.089 5 0 "[ . 1 . 2]" 1
1740 1 74 THR MG 1 78 GLU H . . 5.170 4.632 3.855 5.246 0.076 20 0 "[ . 1 . 2]" 1
1741 1 74 THR MG 1 78 GLU QB . . 3.620 3.587 2.861 3.744 0.124 16 0 "[ . 1 . 2]" 1
1742 1 74 THR MG 1 78 GLU QG . . 5.340 5.169 4.121 5.456 0.116 10 0 "[ . 1 . 2]" 1
1743 1 74 THR MG 1 79 ASN HA . . 4.880 2.004 1.888 2.137 . 0 0 "[ . 1 . 2]" 1
1744 1 74 THR MG 1 79 ASN HD21 . . 5.500 4.275 2.660 5.212 . 0 0 "[ . 1 . 2]" 1
1745 1 74 THR MG 1 80 PHE H . . 5.500 2.876 1.791 3.736 . 0 0 "[ . 1 . 2]" 1
1746 1 75 THR H 1 75 THR HB . . 3.080 2.833 2.479 3.152 0.072 10 0 "[ . 1 . 2]" 1
1747 1 75 THR H 1 75 THR MG . . 3.240 2.418 2.037 2.797 . 0 0 "[ . 1 . 2]" 1
1748 1 75 THR H 1 78 GLU H . . 4.200 4.244 3.873 4.297 0.097 5 0 "[ . 1 . 2]" 1
1749 1 75 THR H 1 78 GLU QB . . 5.090 4.499 4.276 4.739 . 0 0 "[ . 1 . 2]" 1
1750 1 75 THR HA 1 76 LYS H . . 3.360 3.218 3.064 3.431 0.071 2 0 "[ . 1 . 2]" 1
1751 1 75 THR MG 1 76 LYS H . . 4.670 3.376 2.787 3.632 . 0 0 "[ . 1 . 2]" 1
1752 1 75 THR MG 1 76 LYS HA . . 4.940 4.067 3.586 4.458 . 0 0 "[ . 1 . 2]" 1
1753 1 75 THR MG 1 76 LYS QD . . 5.320 3.907 3.163 4.437 . 0 0 "[ . 1 . 2]" 1
1754 1 75 THR MG 1 76 LYS QE . . 4.570 3.435 2.496 4.628 0.058 6 0 "[ . 1 . 2]" 1
1755 1 75 THR MG 1 76 LYS HG2 . . 2.940 2.857 2.431 3.027 0.087 4 0 "[ . 1 . 2]" 1
1756 1 75 THR MG 1 76 LYS HG3 . . 2.710 2.475 2.013 2.915 0.205 9 0 "[ . 1 . 2]" 1
1757 1 75 THR MG 1 77 GLY H . . 5.240 5.062 4.493 5.343 0.103 12 0 "[ . 1 . 2]" 1
1758 1 76 LYS H 1 76 LYS HB2 . . 3.520 2.740 2.483 2.960 . 0 0 "[ . 1 . 2]" 1
1759 1 76 LYS H 1 76 LYS HB3 . . 3.970 3.795 3.603 3.912 . 0 0 "[ . 1 . 2]" 1
1760 1 76 LYS H 1 76 LYS QD . . 4.900 4.630 4.139 4.978 0.078 15 0 "[ . 1 . 2]" 1
1761 1 76 LYS H 1 76 LYS HG2 . . 4.040 3.696 3.330 3.914 . 0 0 "[ . 1 . 2]" 1
1762 1 76 LYS H 1 76 LYS HG3 . . 4.350 3.065 2.552 3.500 . 0 0 "[ . 1 . 2]" 1
1763 1 76 LYS H 1 77 GLY H . . 3.380 2.337 1.739 3.363 . 0 0 "[ . 1 . 2]" 1
1764 1 76 LYS H 1 78 GLU H . . 4.630 2.983 2.728 3.753 . 0 0 "[ . 1 . 2]" 1
1765 1 76 LYS HA 1 76 LYS QD . . 4.070 3.784 3.436 4.166 0.096 6 0 "[ . 1 . 2]" 1
1766 1 76 LYS HA 1 76 LYS HG2 . . 3.950 2.508 2.290 2.717 . 0 0 "[ . 1 . 2]" 1
1767 1 76 LYS HA 1 76 LYS HG3 . . 3.510 3.410 3.198 3.528 0.018 16 0 "[ . 1 . 2]" 1
1768 1 76 LYS HA 1 77 GLY H . . 3.240 3.181 2.807 3.333 0.093 6 0 "[ . 1 . 2]" 1
1769 1 76 LYS HA 1 77 GLY HA2 . . 4.950 4.591 4.366 4.796 . 0 0 "[ . 1 . 2]" 1
1770 1 76 LYS HA 1 77 GLY HA3 . . 5.060 4.640 4.237 5.074 0.014 17 0 "[ . 1 . 2]" 1
1771 1 76 LYS HB2 1 76 LYS QD . . 3.020 2.702 2.383 3.282 0.262 17 0 "[ . 1 . 2]" 1
1772 1 76 LYS HB2 1 76 LYS QE . . 5.070 3.425 2.491 3.962 . 0 0 "[ . 1 . 2]" 1
1773 1 76 LYS HB2 1 77 GLY H . . 4.470 3.599 1.930 4.320 . 0 0 "[ . 1 . 2]" 1
1774 1 76 LYS HB3 1 76 LYS QD . . 3.230 2.349 2.162 2.857 . 0 0 "[ . 1 . 2]" 1
1775 1 76 LYS HB3 1 76 LYS QE . . 4.990 3.485 2.138 4.229 . 0 0 "[ . 1 . 2]" 1
1776 1 76 LYS HB3 1 77 GLY H . . 4.480 4.117 2.066 4.552 0.072 19 0 "[ . 1 . 2]" 1
1777 1 76 LYS QD 1 76 LYS HG2 . . 2.690 2.260 2.115 2.402 . 0 0 "[ . 1 . 2]" 1
1778 1 76 LYS QE 1 76 LYS HG2 . . 3.890 2.781 2.254 3.380 . 0 0 "[ . 1 . 2]" 1
1779 1 76 LYS QE 1 76 LYS HG3 . . 3.860 2.416 2.079 3.314 . 0 0 "[ . 1 . 2]" 1
1780 1 76 LYS HG2 1 77 GLY H . . 5.350 4.960 4.407 5.193 . 0 0 "[ . 1 . 2]" 1
1781 1 76 LYS HG3 1 77 GLY H . . 5.300 4.793 4.156 5.277 . 0 0 "[ . 1 . 2]" 1
1782 1 77 GLY H 1 78 GLU H . . 3.460 2.304 1.802 2.967 . 0 0 "[ . 1 . 2]" 1
1783 1 77 GLY HA2 1 78 GLU HA . . 4.730 4.606 4.359 4.741 0.011 20 0 "[ . 1 . 2]" 1
1784 1 77 GLY HA3 1 78 GLU HA . . 4.540 4.507 4.219 4.610 0.070 19 0 "[ . 1 . 2]" 1
1785 1 77 GLY HA3 1 78 GLU QB . . 5.180 4.815 4.226 5.258 0.078 18 0 "[ . 1 . 2]" 1
1786 1 78 GLU H 1 78 GLU QB . . 3.210 2.283 2.086 2.595 . 0 0 "[ . 1 . 2]" 1
1787 1 78 GLU H 1 78 GLU QG . . 3.980 3.745 2.625 4.060 0.080 16 0 "[ . 1 . 2]" 1
1788 1 78 GLU H 1 79 ASN H . . 4.600 4.547 4.428 4.655 0.055 1 0 "[ . 1 . 2]" 1
1789 1 78 GLU HA 1 78 GLU QG . . 3.370 2.457 2.253 2.681 . 0 0 "[ . 1 . 2]" 1
1790 1 78 GLU HA 1 79 ASN H . . 2.710 2.386 2.243 2.595 . 0 0 "[ . 1 . 2]" 1
1791 1 78 GLU HA 1 79 ASN HA . . 5.230 4.522 4.406 4.655 . 0 0 "[ . 1 . 2]" 1
1792 1 78 GLU HA 1 79 ASN HB2 . . 4.800 4.501 3.986 4.824 0.024 10 0 "[ . 1 . 2]" 1
1793 1 78 GLU HA 1 79 ASN HB3 . . 4.830 4.830 4.624 4.914 0.084 18 0 "[ . 1 . 2]" 1
1794 1 78 GLU HA 1 80 PHE H . . 4.860 4.851 4.638 4.938 0.078 11 0 "[ . 1 . 2]" 1
1795 1 78 GLU QB 1 79 ASN H . . 3.290 2.645 2.242 3.156 . 0 0 "[ . 1 . 2]" 1
1796 1 78 GLU QB 1 80 PHE H . . 5.160 3.083 2.766 3.583 . 0 0 "[ . 1 . 2]" 1
1797 1 78 GLU QB 1 80 PHE QD . . 4.160 3.197 2.665 3.730 . 0 0 "[ . 1 . 2]" 1
1798 1 78 GLU QB 1 80 PHE QE . . 4.610 2.964 2.486 3.646 . 0 0 "[ . 1 . 2]" 1
1799 1 78 GLU QG 1 79 ASN H . . 4.160 3.309 2.331 3.917 . 0 0 "[ . 1 . 2]" 1
1800 1 78 GLU QG 1 80 PHE QD . . 4.500 3.928 3.407 4.395 . 0 0 "[ . 1 . 2]" 1
1801 1 78 GLU QG 1 80 PHE QE . . 4.300 2.616 2.105 4.126 . 0 0 "[ . 1 . 2]" 1
1802 1 79 ASN H 1 79 ASN HB2 . . 3.470 3.426 3.192 3.554 0.084 10 0 "[ . 1 . 2]" 1
1803 1 79 ASN H 1 79 ASN HB3 . . 3.330 3.167 2.980 3.322 . 0 0 "[ . 1 . 2]" 1
1804 1 79 ASN H 1 79 ASN HD21 . . 4.980 4.743 4.518 5.050 0.070 6 0 "[ . 1 . 2]" 1
1805 1 79 ASN H 1 80 PHE H . . 3.370 2.914 2.427 3.279 . 0 0 "[ . 1 . 2]" 1
1806 1 79 ASN HA 1 79 ASN HD21 . . 4.670 3.426 2.350 4.279 . 0 0 "[ . 1 . 2]" 1
1807 1 79 ASN HA 1 79 ASN HD22 . . 5.500 4.028 3.543 4.582 . 0 0 "[ . 1 . 2]" 1
1808 1 79 ASN HA 1 80 PHE H . . 2.800 2.329 2.108 2.632 . 0 0 "[ . 1 . 2]" 1
1809 1 79 ASN HA 1 80 PHE HB2 . . 4.580 4.567 4.417 4.652 0.072 8 0 "[ . 1 . 2]" 1
1810 1 79 ASN HA 1 81 THR MG . . 5.500 5.531 5.327 5.601 0.101 1 0 "[ . 1 . 2]" 1
1811 1 79 ASN HB2 1 80 PHE H . . 4.630 4.586 4.469 4.679 0.049 2 0 "[ . 1 . 2]" 1
1812 1 79 ASN HB3 1 80 PHE H . . 4.320 4.397 4.388 4.404 0.084 14 0 "[ . 1 . 2]" 1
1813 1 79 ASN HD21 1 81 THR MG . . 5.500 3.430 2.765 5.549 0.049 4 0 "[ . 1 . 2]" 1
1814 1 79 ASN HD22 1 81 THR MG . . 5.120 3.887 3.090 4.725 . 0 0 "[ . 1 . 2]" 1
1815 1 80 PHE H 1 80 PHE HB2 . . 3.410 2.527 2.288 2.701 . 0 0 "[ . 1 . 2]" 1
1816 1 80 PHE H 1 80 PHE HB3 . . 3.960 3.622 3.550 3.681 . 0 0 "[ . 1 . 2]" 1
1817 1 80 PHE H 1 80 PHE QD . . 3.900 2.623 2.177 3.083 . 0 0 "[ . 1 . 2]" 1
1818 1 80 PHE H 1 81 THR H . . 4.960 4.635 4.563 4.724 . 0 0 "[ . 1 . 2]" 1
1819 1 80 PHE H 1 81 THR MG . . 5.500 5.188 4.965 5.340 . 0 0 "[ . 1 . 2]" 1
1820 1 80 PHE HA 1 80 PHE QD . . 3.130 2.743 2.531 3.047 . 0 0 "[ . 1 . 2]" 1
1821 1 80 PHE HA 1 81 THR H . . 3.230 2.346 2.128 2.710 . 0 0 "[ . 1 . 2]" 1
1822 1 80 PHE HA 1 81 THR MG . . 4.250 3.596 3.269 4.005 . 0 0 "[ . 1 . 2]" 1
1823 1 80 PHE HA 1 84 ASP QB . . 4.610 3.110 2.772 3.537 . 0 0 "[ . 1 . 2]" 1
1824 1 80 PHE HA 1 85 VAL MG2 . . 5.500 4.878 4.269 5.547 0.047 17 0 "[ . 1 . 2]" 1
1825 1 80 PHE HB2 1 81 THR H . . 4.670 3.735 3.188 4.206 . 0 0 "[ . 1 . 2]" 1
1826 1 80 PHE HB2 1 84 ASP QB . . 4.900 3.788 3.493 4.322 . 0 0 "[ . 1 . 2]" 1
1827 1 80 PHE HB2 1 85 VAL MG2 . . 4.310 3.239 2.582 3.973 . 0 0 "[ . 1 . 2]" 1
1828 1 80 PHE HB2 1 88 MET ME . . 5.050 3.734 3.096 4.464 . 0 0 "[ . 1 . 2]" 1
1829 1 80 PHE HB3 1 81 THR H . . 4.410 2.627 2.031 3.239 . 0 0 "[ . 1 . 2]" 1
1830 1 80 PHE HB3 1 81 THR HA . . 5.050 4.684 4.330 4.932 . 0 0 "[ . 1 . 2]" 1
1831 1 80 PHE HB3 1 81 THR MG . . 4.950 4.886 4.528 5.055 0.105 18 0 "[ . 1 . 2]" 1
1832 1 80 PHE HB3 1 84 ASP QB . . 2.950 2.260 1.994 2.815 . 0 0 "[ . 1 . 2]" 1
1833 1 80 PHE HB3 1 85 VAL HA . . 4.910 4.611 3.933 5.000 0.090 17 0 "[ . 1 . 2]" 1
1834 1 80 PHE HB3 1 85 VAL MG2 . . 3.870 2.922 2.346 3.526 . 0 0 "[ . 1 . 2]" 1
1835 1 80 PHE HB3 1 88 MET ME . . 5.020 3.490 2.957 4.190 . 0 0 "[ . 1 . 2]" 1
1836 1 80 PHE QD 1 81 THR H . . 4.000 3.783 2.890 4.068 0.068 10 0 "[ . 1 . 2]" 1
1837 1 80 PHE QD 1 84 ASP H . . 5.380 5.341 4.726 5.476 0.096 9 0 "[ . 1 . 2]" 1
1838 1 80 PHE QD 1 84 ASP QB . . 3.750 2.292 2.063 2.758 . 0 0 "[ . 1 . 2]" 1
1839 1 80 PHE QD 1 85 VAL MG2 . . 4.510 4.220 3.818 4.638 0.128 4 0 "[ . 1 . 2]" 1
1840 1 80 PHE QD 1 88 MET ME . . 3.640 3.231 2.818 3.736 0.096 7 0 "[ . 1 . 2]" 1
1841 1 80 PHE QE 1 88 MET ME . . 4.220 3.596 2.914 4.305 0.085 7 0 "[ . 1 . 2]" 1
1842 1 81 THR H 1 81 THR HB . . 3.990 3.623 3.491 3.831 . 0 0 "[ . 1 . 2]" 1
1843 1 81 THR H 1 81 THR MG . . 3.310 2.830 2.237 3.433 0.123 3 0 "[ . 1 . 2]" 1
1844 1 81 THR H 1 84 ASP H . . 4.640 3.219 2.862 3.489 . 0 0 "[ . 1 . 2]" 1
1845 1 81 THR H 1 84 ASP QB . . 3.810 2.023 1.680 2.532 . 0 0 "[ . 1 . 2]" 1
1846 1 81 THR H 1 85 VAL H . . 5.350 3.991 3.059 4.454 . 0 0 "[ . 1 . 2]" 1
1847 1 81 THR H 1 85 VAL MG2 . . 5.500 3.966 3.200 4.474 . 0 0 "[ . 1 . 2]" 1
1848 1 81 THR H 1 88 MET ME . . 5.500 5.460 5.047 5.613 0.113 11 0 "[ . 1 . 2]" 1
1849 1 81 THR HA 1 81 THR HB . . 3.050 2.533 2.422 2.737 . 0 0 "[ . 1 . 2]" 1
1850 1 81 THR HA 1 81 THR MG . . 3.210 2.270 2.123 2.407 . 0 0 "[ . 1 . 2]" 1
1851 1 81 THR HA 1 82 GLU H . . 3.400 2.605 2.472 2.781 . 0 0 "[ . 1 . 2]" 1
1852 1 81 THR HA 1 82 GLU HA . . 5.280 4.365 4.226 4.472 . 0 0 "[ . 1 . 2]" 1
1853 1 81 THR HA 1 82 GLU HB2 . . 4.910 4.540 4.406 4.746 . 0 0 "[ . 1 . 2]" 1
1854 1 81 THR HA 1 83 THR H . . 4.630 4.641 4.459 4.713 0.083 14 0 "[ . 1 . 2]" 1
1855 1 81 THR HB 1 82 GLU H . . 3.220 2.440 2.142 2.757 . 0 0 "[ . 1 . 2]" 1
1856 1 81 THR HB 1 82 GLU HB2 . . 4.690 4.362 3.794 4.675 . 0 0 "[ . 1 . 2]" 1
1857 1 81 THR HB 1 82 GLU HB3 . . 4.800 4.381 3.878 4.856 0.056 3 0 "[ . 1 . 2]" 1
1858 1 81 THR HB 1 83 THR H . . 3.070 3.009 2.711 3.143 0.073 11 0 "[ . 1 . 2]" 1
1859 1 81 THR HB 1 84 ASP H . . 3.670 3.721 3.593 3.754 0.084 4 0 "[ . 1 . 2]" 1
1860 1 81 THR HB 1 84 ASP QB . . 5.210 4.623 4.123 4.864 . 0 0 "[ . 1 . 2]" 1
1861 1 81 THR MG 1 82 GLU H . . 4.060 3.634 3.075 3.824 . 0 0 "[ . 1 . 2]" 1
1862 1 81 THR MG 1 82 GLU HB2 . . 5.310 5.285 4.458 5.418 0.108 1 0 "[ . 1 . 2]" 1
1863 1 81 THR MG 1 83 THR H . . 4.780 4.525 4.277 4.714 . 0 0 "[ . 1 . 2]" 1
1864 1 81 THR MG 1 83 THR HB . . 5.500 4.948 4.314 5.461 . 0 0 "[ . 1 . 2]" 1
1865 1 81 THR MG 1 84 ASP H . . 5.060 4.433 3.861 4.950 . 0 0 "[ . 1 . 2]" 1
1866 1 81 THR MG 1 85 VAL MG2 . . 5.340 5.364 5.187 5.471 0.131 15 0 "[ . 1 . 2]" 1
1867 1 82 GLU H 1 82 GLU HB2 . . 3.430 2.121 1.971 2.267 . 0 0 "[ . 1 . 2]" 1
1868 1 82 GLU H 1 82 GLU HB3 . . 3.410 2.746 2.415 3.363 . 0 0 "[ . 1 . 2]" 1
1869 1 82 GLU H 1 82 GLU HG2 . . 4.210 4.229 3.871 4.302 0.092 19 0 "[ . 1 . 2]" 1
1870 1 82 GLU H 1 82 GLU HG3 . . 4.110 4.079 3.572 4.202 0.092 9 0 "[ . 1 . 2]" 1
1871 1 82 GLU H 1 83 THR H . . 3.590 2.888 2.600 3.119 . 0 0 "[ . 1 . 2]" 1
1872 1 82 GLU H 1 85 VAL H . . 5.500 4.772 4.572 4.975 . 0 0 "[ . 1 . 2]" 1
1873 1 82 GLU H 1 85 VAL MG2 . . 5.140 4.608 3.916 5.084 . 0 0 "[ . 1 . 2]" 1
1874 1 82 GLU HA 1 82 GLU HB2 . . 2.910 2.631 2.471 2.952 0.042 3 0 "[ . 1 . 2]" 1
1875 1 82 GLU HA 1 82 GLU HG2 . . 4.100 2.574 2.189 3.585 . 0 0 "[ . 1 . 2]" 1
1876 1 82 GLU HA 1 82 GLU HG3 . . 3.930 2.678 2.190 3.647 . 0 0 "[ . 1 . 2]" 1
1877 1 82 GLU HA 1 84 ASP H . . 5.160 4.273 3.993 4.680 . 0 0 "[ . 1 . 2]" 1
1878 1 82 GLU HA 1 85 VAL H . . 3.810 3.366 2.928 3.572 . 0 0 "[ . 1 . 2]" 1
1879 1 82 GLU HA 1 85 VAL HB . . 3.500 2.744 2.311 3.476 . 0 0 "[ . 1 . 2]" 1
1880 1 82 GLU HA 1 85 VAL MG1 . . 4.340 4.102 3.651 4.444 0.104 17 0 "[ . 1 . 2]" 1
1881 1 82 GLU HA 1 85 VAL MG2 . . 3.630 3.129 2.040 3.676 0.046 1 0 "[ . 1 . 2]" 1
1882 1 82 GLU HA 1 86 LYS HG3 . . 5.480 5.059 3.879 5.563 0.083 8 0 "[ . 1 . 2]" 1
1883 1 82 GLU HB2 1 83 THR H . . 3.850 3.676 3.032 3.910 0.060 19 0 "[ . 1 . 2]" 1
1884 1 82 GLU HB3 1 83 THR H . . 3.830 2.634 2.420 3.006 . 0 0 "[ . 1 . 2]" 1
1885 1 82 GLU HG2 1 83 THR H . . 4.950 4.362 3.674 5.071 0.121 3 0 "[ . 1 . 2]" 1
1886 1 82 GLU HG2 1 85 VAL MG1 . . 5.300 4.826 4.005 5.761 0.461 3 0 "[ . 1 . 2]" 1
1887 1 82 GLU HG2 1 86 LYS QE . . 5.200 3.218 2.065 5.148 . 0 0 "[ . 1 . 2]" 1
1888 1 82 GLU HG3 1 83 THR H . . 5.140 4.962 4.625 5.200 0.060 5 0 "[ . 1 . 2]" 1
1889 1 82 GLU HG3 1 86 LYS QE . . 5.070 4.124 2.683 5.154 0.084 8 0 "[ . 1 . 2]" 1
1890 1 82 GLU HG3 1 86 LYS HG2 . . 5.450 4.691 3.563 5.536 0.086 2 0 "[ . 1 . 2]" 1
1891 1 83 THR H 1 83 THR HB . . 3.210 2.640 2.188 2.927 . 0 0 "[ . 1 . 2]" 1
1892 1 83 THR H 1 83 THR MG . . 4.420 3.743 3.596 3.887 . 0 0 "[ . 1 . 2]" 1
1893 1 83 THR H 1 84 ASP H . . 3.510 2.775 2.641 2.893 . 0 0 "[ . 1 . 2]" 1
1894 1 83 THR H 1 84 ASP QB . . 5.350 4.775 4.472 5.032 . 0 0 "[ . 1 . 2]" 1
1895 1 83 THR H 1 85 VAL H . . 4.520 4.235 4.035 4.425 . 0 0 "[ . 1 . 2]" 1
1896 1 83 THR HA 1 83 THR MG . . 3.560 2.385 2.253 2.638 . 0 0 "[ . 1 . 2]" 1
1897 1 83 THR HA 1 85 VAL H . . 5.460 4.385 4.149 4.710 . 0 0 "[ . 1 . 2]" 1
1898 1 83 THR HA 1 86 LYS H . . 4.290 3.267 2.968 3.734 . 0 0 "[ . 1 . 2]" 1
1899 1 83 THR HA 1 86 LYS QB . . 3.520 2.546 2.231 2.948 . 0 0 "[ . 1 . 2]" 1
1900 1 83 THR HA 1 86 LYS QD . . 4.540 4.593 4.375 4.642 0.102 9 0 "[ . 1 . 2]" 1
1901 1 83 THR HA 1 86 LYS QE . . 5.300 4.595 2.440 5.364 0.064 12 0 "[ . 1 . 2]" 1
1902 1 83 THR HA 1 86 LYS HG3 . . 5.400 2.911 2.648 3.998 . 0 0 "[ . 1 . 2]" 1
1903 1 83 THR HA 1 87 MET H . . 4.720 4.222 3.750 4.554 . 0 0 "[ . 1 . 2]" 1
1904 1 83 THR HA 1 87 MET ME . . 5.350 5.045 4.670 5.433 0.083 19 0 "[ . 1 . 2]" 1
1905 1 83 THR HB 1 84 ASP H . . 3.810 2.900 2.424 3.189 . 0 0 "[ . 1 . 2]" 1
1906 1 83 THR HB 1 85 VAL H . . 5.120 5.165 4.962 5.207 0.087 20 0 "[ . 1 . 2]" 1
1907 1 83 THR MG 1 84 ASP H . . 4.610 3.953 3.721 4.271 . 0 0 "[ . 1 . 2]" 1
1908 1 83 THR MG 1 84 ASP HA . . 5.060 4.096 3.852 4.667 . 0 0 "[ . 1 . 2]" 1
1909 1 83 THR MG 1 86 LYS H . . 5.500 4.758 4.491 5.147 . 0 0 "[ . 1 . 2]" 1
1910 1 83 THR MG 1 86 LYS QB . . 5.380 3.458 3.041 3.850 . 0 0 "[ . 1 . 2]" 1
1911 1 83 THR MG 1 86 LYS QD . . 5.500 5.338 4.981 5.572 0.072 2 0 "[ . 1 . 2]" 1
1912 1 83 THR MG 1 87 MET H . . 4.790 4.357 3.820 4.857 0.067 2 0 "[ . 1 . 2]" 1
1913 1 83 THR MG 1 87 MET ME . . 3.370 3.000 2.628 3.510 0.140 9 0 "[ . 1 . 2]" 1
1914 1 83 THR MG 1 87 MET HG2 . . 4.440 3.501 2.695 4.429 . 0 0 "[ . 1 . 2]" 1
1915 1 83 THR MG 1 87 MET HG3 . . 4.250 3.727 2.874 4.325 0.075 8 0 "[ . 1 . 2]" 1
1916 1 84 ASP H 1 85 VAL H . . 3.750 2.541 2.302 2.773 . 0 0 "[ . 1 . 2]" 1
1917 1 84 ASP H 1 85 VAL HB . . 5.500 4.763 4.534 5.027 . 0 0 "[ . 1 . 2]" 1
1918 1 84 ASP H 1 85 VAL MG2 . . 5.050 4.142 3.437 4.477 . 0 0 "[ . 1 . 2]" 1
1919 1 84 ASP H 1 86 LYS H . . 5.250 4.062 3.908 4.217 . 0 0 "[ . 1 . 2]" 1
1920 1 84 ASP HA 1 87 MET H . . 4.080 3.422 2.831 3.680 . 0 0 "[ . 1 . 2]" 1
1921 1 84 ASP HA 1 87 MET HB2 . . 3.950 2.845 2.322 3.260 . 0 0 "[ . 1 . 2]" 1
1922 1 84 ASP HA 1 87 MET HB3 . . 4.840 4.496 3.982 4.900 0.060 3 0 "[ . 1 . 2]" 1
1923 1 84 ASP HA 1 87 MET HG2 . . 5.020 3.987 2.984 5.095 0.075 15 0 "[ . 1 . 2]" 1
1924 1 84 ASP HA 1 87 MET HG3 . . 5.140 3.577 2.992 4.127 . 0 0 "[ . 1 . 2]" 1
1925 1 84 ASP HA 1 88 MET ME . . 5.500 5.021 4.575 5.503 0.003 3 0 "[ . 1 . 2]" 1
1926 1 84 ASP QB 1 85 VAL H . . 4.240 2.657 2.385 2.943 . 0 0 "[ . 1 . 2]" 1
1927 1 84 ASP QB 1 85 VAL MG2 . . 5.500 3.257 2.795 3.634 . 0 0 "[ . 1 . 2]" 1
1928 1 84 ASP QB 1 88 MET ME . . 4.410 3.628 2.926 3.950 . 0 0 "[ . 1 . 2]" 1
1929 1 85 VAL H 1 85 VAL HB . . 3.410 2.509 2.239 2.811 . 0 0 "[ . 1 . 2]" 1
1930 1 85 VAL H 1 85 VAL MG1 . . 3.980 3.796 3.700 3.843 . 0 0 "[ . 1 . 2]" 1
1931 1 85 VAL H 1 85 VAL MG2 . . 3.180 2.266 1.917 2.471 . 0 0 "[ . 1 . 2]" 1
1932 1 85 VAL H 1 86 LYS H . . 3.310 2.720 2.593 2.836 . 0 0 "[ . 1 . 2]" 1
1933 1 85 VAL H 1 88 MET ME . . 4.550 4.274 4.003 4.652 0.102 11 0 "[ . 1 . 2]" 1
1934 1 85 VAL HA 1 85 VAL MG1 . . 3.390 2.456 2.314 2.661 . 0 0 "[ . 1 . 2]" 1
1935 1 85 VAL HA 1 85 VAL MG2 . . 3.200 2.364 2.239 2.560 . 0 0 "[ . 1 . 2]" 1
1936 1 85 VAL HA 1 88 MET H . . 4.460 3.118 2.840 3.307 . 0 0 "[ . 1 . 2]" 1
1937 1 85 VAL HA 1 88 MET HA . . 4.950 4.917 4.608 5.031 0.081 17 0 "[ . 1 . 2]" 1
1938 1 85 VAL HA 1 88 MET HB2 . . 3.940 3.115 2.455 3.475 . 0 0 "[ . 1 . 2]" 1
1939 1 85 VAL HA 1 88 MET HB3 . . 4.130 2.199 2.057 2.474 . 0 0 "[ . 1 . 2]" 1
1940 1 85 VAL HA 1 88 MET ME . . 3.290 2.497 2.165 3.095 . 0 0 "[ . 1 . 2]" 1
1941 1 85 VAL HA 1 88 MET HG2 . . 5.200 4.196 3.853 4.808 . 0 0 "[ . 1 . 2]" 1
1942 1 85 VAL HA 1 89 GLU H . . 5.070 3.823 3.518 4.123 . 0 0 "[ . 1 . 2]" 1
1943 1 85 VAL HA 1 89 GLU HG2 . . 5.390 5.153 4.179 5.474 0.084 12 0 "[ . 1 . 2]" 1
1944 1 85 VAL HB 1 86 LYS H . . 3.670 2.814 2.612 3.115 . 0 0 "[ . 1 . 2]" 1
1945 1 85 VAL HB 1 86 LYS HG2 . . 4.930 3.790 3.181 4.963 0.033 10 0 "[ . 1 . 2]" 1
1946 1 85 VAL MG1 1 86 LYS H . . 4.070 3.524 3.183 3.799 . 0 0 "[ . 1 . 2]" 1
1947 1 85 VAL MG1 1 86 LYS HA . . 4.330 3.665 3.324 4.012 . 0 0 "[ . 1 . 2]" 1
1948 1 85 VAL MG1 1 86 LYS QD . . 4.960 4.618 3.808 5.069 0.109 3 0 "[ . 1 . 2]" 1
1949 1 85 VAL MG1 1 86 LYS HG2 . . 4.240 4.030 3.364 4.331 0.091 9 0 "[ . 1 . 2]" 1
1950 1 85 VAL MG1 1 88 MET HB3 . . 5.100 3.371 3.046 3.663 . 0 0 "[ . 1 . 2]" 1
1951 1 85 VAL MG1 1 88 MET ME . . 4.040 3.223 2.479 4.076 0.036 20 0 "[ . 1 . 2]" 1
1952 1 85 VAL MG1 1 89 GLU H . . 5.230 3.798 3.533 4.031 . 0 0 "[ . 1 . 2]" 1
1953 1 85 VAL MG1 1 89 GLU HG2 . . 4.250 3.259 2.513 3.608 . 0 0 "[ . 1 . 2]" 1
1954 1 85 VAL MG2 1 86 LYS H . . 4.400 4.008 3.559 4.183 . 0 0 "[ . 1 . 2]" 1
1955 1 85 VAL MG2 1 88 MET ME . . 3.770 2.590 2.111 3.566 . 0 0 "[ . 1 . 2]" 1
1956 1 86 LYS H 1 86 LYS QB . . 3.460 2.438 2.254 2.651 . 0 0 "[ . 1 . 2]" 1
1957 1 86 LYS H 1 86 LYS QD . . 4.650 3.953 3.517 4.394 . 0 0 "[ . 1 . 2]" 1
1958 1 86 LYS H 1 86 LYS HG2 . . 4.250 2.358 2.138 3.523 . 0 0 "[ . 1 . 2]" 1
1959 1 86 LYS H 1 86 LYS HG3 . . 4.130 3.257 2.421 3.597 . 0 0 "[ . 1 . 2]" 1
1960 1 86 LYS H 1 87 MET H . . 3.650 2.810 2.642 2.939 . 0 0 "[ . 1 . 2]" 1
1961 1 86 LYS H 1 88 MET H . . 5.500 4.103 3.933 4.293 . 0 0 "[ . 1 . 2]" 1
1962 1 86 LYS H 1 89 GLU H . . 5.500 4.729 4.579 4.893 . 0 0 "[ . 1 . 2]" 1
1963 1 86 LYS HA 1 86 LYS QD . . 4.230 2.639 2.086 3.934 . 0 0 "[ . 1 . 2]" 1
1964 1 86 LYS HA 1 86 LYS HG2 . . 3.860 2.808 2.311 3.148 . 0 0 "[ . 1 . 2]" 1
1965 1 86 LYS HA 1 86 LYS HG3 . . 4.010 3.739 2.975 3.913 . 0 0 "[ . 1 . 2]" 1
1966 1 86 LYS HA 1 89 GLU H . . 4.120 3.518 3.266 3.760 . 0 0 "[ . 1 . 2]" 1
1967 1 86 LYS HA 1 89 GLU HB2 . . 3.640 3.035 2.415 3.516 . 0 0 "[ . 1 . 2]" 1
1968 1 86 LYS HA 1 89 GLU HG2 . . 4.700 4.374 3.811 4.781 0.081 2 0 "[ . 1 . 2]" 1
1969 1 86 LYS HA 1 89 GLU HG3 . . 4.610 2.906 2.170 3.574 . 0 0 "[ . 1 . 2]" 1
1970 1 86 LYS QB 1 86 LYS QE . . 4.130 3.435 2.046 3.831 . 0 0 "[ . 1 . 2]" 1
1971 1 86 LYS QB 1 87 MET H . . 3.690 2.698 2.439 3.247 . 0 0 "[ . 1 . 2]" 1
1972 1 86 LYS HG2 1 87 MET H . . 5.170 4.559 4.292 5.214 0.044 10 0 "[ . 1 . 2]" 1
1973 1 86 LYS HG3 1 87 MET H . . 5.150 4.892 4.532 5.215 0.065 15 0 "[ . 1 . 2]" 1
1974 1 87 MET H 1 87 MET HB2 . . 3.480 2.430 2.282 2.592 . 0 0 "[ . 1 . 2]" 1
1975 1 87 MET H 1 87 MET HB3 . . 4.180 3.609 3.539 3.693 . 0 0 "[ . 1 . 2]" 1
1976 1 87 MET H 1 87 MET HG2 . . 3.810 2.642 2.302 3.470 . 0 0 "[ . 1 . 2]" 1
1977 1 87 MET H 1 87 MET HG3 . . 3.720 3.443 2.500 3.781 0.061 4 0 "[ . 1 . 2]" 1
1978 1 87 MET H 1 88 MET H . . 3.780 2.528 2.220 2.760 . 0 0 "[ . 1 . 2]" 1
1979 1 87 MET H 1 88 MET HA . . 5.500 5.138 4.906 5.287 . 0 0 "[ . 1 . 2]" 1
1980 1 87 MET H 1 88 MET HB3 . . 5.300 4.704 4.213 5.074 . 0 0 "[ . 1 . 2]" 1
1981 1 87 MET H 1 90 ARG H . . 5.500 5.151 4.891 5.537 0.037 11 0 "[ . 1 . 2]" 1
1982 1 87 MET HA 1 87 MET ME . . 4.420 3.955 3.601 4.313 . 0 0 "[ . 1 . 2]" 1
1983 1 87 MET HA 1 87 MET HG2 . . 3.580 2.830 2.223 3.416 . 0 0 "[ . 1 . 2]" 1
1984 1 87 MET HA 1 87 MET HG3 . . 4.100 3.655 3.299 3.819 . 0 0 "[ . 1 . 2]" 1
1985 1 87 MET HA 1 90 ARG H . . 4.080 3.642 3.343 3.979 . 0 0 "[ . 1 . 2]" 1
1986 1 87 MET HB2 1 88 MET H . . 4.500 2.619 2.381 2.895 . 0 0 "[ . 1 . 2]" 1
1987 1 87 MET HB3 1 87 MET ME . . 4.000 3.988 3.678 4.089 0.089 7 0 "[ . 1 . 2]" 1
1988 1 87 MET ME 1 87 MET HG2 . . 3.420 2.356 2.180 2.588 . 0 0 "[ . 1 . 2]" 1
1989 1 87 MET ME 1 87 MET HG3 . . 3.770 2.576 2.311 2.815 . 0 0 "[ . 1 . 2]" 1
1990 1 87 MET HG2 1 88 MET H . . 5.290 4.490 4.235 4.840 . 0 0 "[ . 1 . 2]" 1
1991 1 88 MET H 1 88 MET HB2 . . 3.970 2.490 2.253 2.718 . 0 0 "[ . 1 . 2]" 1
1992 1 88 MET H 1 88 MET HB3 . . 4.120 2.492 2.236 2.781 . 0 0 "[ . 1 . 2]" 1
1993 1 88 MET H 1 88 MET ME . . 4.830 3.932 3.779 4.263 . 0 0 "[ . 1 . 2]" 1
1994 1 88 MET H 1 88 MET HG2 . . 4.940 4.418 4.207 4.610 . 0 0 "[ . 1 . 2]" 1
1995 1 88 MET H 1 88 MET HG3 . . 5.120 4.381 4.180 4.528 . 0 0 "[ . 1 . 2]" 1
1996 1 88 MET H 1 89 GLU H . . 3.960 2.773 2.665 2.903 . 0 0 "[ . 1 . 2]" 1
1997 1 88 MET H 1 90 ARG H . . 5.380 4.153 3.927 4.367 . 0 0 "[ . 1 . 2]" 1
1998 1 88 MET H 1 91 VAL QG . . 5.020 4.328 3.706 4.483 . 0 0 "[ . 1 . 2]" 1
1999 1 88 MET HA 1 88 MET ME . . 5.390 4.187 3.983 4.388 . 0 0 "[ . 1 . 2]" 1
2000 1 88 MET HA 1 88 MET HG2 . . 4.200 3.330 2.749 3.661 . 0 0 "[ . 1 . 2]" 1
2001 1 88 MET HA 1 90 ARG H . . 4.800 3.813 3.265 4.090 . 0 0 "[ . 1 . 2]" 1
2002 1 88 MET HA 1 91 VAL H . . 4.190 3.070 2.742 3.260 . 0 0 "[ . 1 . 2]" 1
2003 1 88 MET HA 1 91 VAL HB . . 3.780 2.988 2.480 3.886 0.106 11 0 "[ . 1 . 2]" 1
2004 1 88 MET HA 1 91 VAL QG . . 3.570 2.057 1.796 2.244 . 0 0 "[ . 1 . 2]" 1
2005 1 88 MET HA 1 92 VAL H . . 4.650 3.549 3.294 3.803 . 0 0 "[ . 1 . 2]" 1
2006 1 88 MET HA 1 92 VAL QG . . 4.670 3.616 3.142 4.048 . 0 0 "[ . 1 . 2]" 1
2007 1 88 MET HB2 1 88 MET ME . . 3.560 2.243 2.071 2.474 . 0 0 "[ . 1 . 2]" 1
2008 1 88 MET HB2 1 88 MET HG2 . . 2.870 2.984 2.728 3.051 0.181 11 0 "[ . 1 . 2]" 1
2009 1 88 MET HB2 1 89 GLU H . . 4.140 4.019 3.747 4.206 0.066 2 0 "[ . 1 . 2]" 1
2010 1 88 MET HB2 1 91 VAL QG . . 5.500 3.597 3.043 3.921 . 0 0 "[ . 1 . 2]" 1
2011 1 88 MET HB2 1 92 VAL QG . . 5.500 4.409 3.857 4.667 . 0 0 "[ . 1 . 2]" 1
2012 1 88 MET HB3 1 88 MET ME . . 3.350 2.426 2.209 2.951 . 0 0 "[ . 1 . 2]" 1
2013 1 88 MET HB3 1 89 GLU H . . 4.150 2.799 2.546 3.028 . 0 0 "[ . 1 . 2]" 1
2014 1 88 MET HB3 1 91 VAL QG . . 4.450 4.235 3.842 4.423 . 0 0 "[ . 1 . 2]" 1
2015 1 88 MET HB3 1 92 VAL QG . . 5.300 4.215 3.663 4.651 . 0 0 "[ . 1 . 2]" 1
2016 1 88 MET ME 1 88 MET HG2 . . 3.740 2.889 2.350 3.449 . 0 0 "[ . 1 . 2]" 1
2017 1 88 MET ME 1 88 MET HG3 . . 3.450 3.307 2.742 3.486 0.036 13 0 "[ . 1 . 2]" 1
2018 1 88 MET ME 1 89 GLU H . . 5.360 4.729 4.313 5.176 . 0 0 "[ . 1 . 2]" 1
2019 1 88 MET HG2 1 89 GLU H . . 5.290 3.900 3.368 4.448 . 0 0 "[ . 1 . 2]" 1
2020 1 88 MET HG2 1 90 ARG H . . 5.330 5.472 4.848 6.195 0.865 20 3 "[ -* 1 . +]" 1
2021 1 88 MET HG2 1 91 VAL QG . . 4.160 3.556 2.869 4.057 . 0 0 "[ . 1 . 2]" 1
2022 1 88 MET HG2 1 92 VAL HB . . 3.480 3.772 3.014 4.302 0.822 5 6 "[ *+-* 1 . **]" 1
2023 1 88 MET HG3 1 92 VAL QG . . 5.020 2.371 1.819 2.966 . 0 0 "[ . 1 . 2]" 1
2024 1 89 GLU H 1 89 GLU HB2 . . 3.270 2.476 2.179 2.819 . 0 0 "[ . 1 . 2]" 1
2025 1 89 GLU H 1 89 GLU HB3 . . 3.590 3.593 3.425 3.658 0.068 8 0 "[ . 1 . 2]" 1
2026 1 89 GLU H 1 89 GLU HG2 . . 3.720 3.125 2.360 3.635 . 0 0 "[ . 1 . 2]" 1
2027 1 89 GLU H 1 89 GLU HG3 . . 3.980 2.658 2.175 3.327 . 0 0 "[ . 1 . 2]" 1
2028 1 89 GLU H 1 90 ARG H . . 3.600 2.784 2.659 2.912 . 0 0 "[ . 1 . 2]" 1
2029 1 89 GLU H 1 91 VAL H . . 4.310 4.352 4.194 4.391 0.081 12 0 "[ . 1 . 2]" 1
2030 1 89 GLU H 1 92 VAL QG . . 5.500 4.618 3.767 5.302 . 0 0 "[ . 1 . 2]" 1
2031 1 89 GLU HA 1 89 GLU HB2 . . 3.040 3.046 3.026 3.063 0.023 3 0 "[ . 1 . 2]" 1
2032 1 89 GLU HA 1 89 GLU HG2 . . 3.880 2.453 2.269 2.706 . 0 0 "[ . 1 . 2]" 1
2033 1 89 GLU HA 1 89 GLU HG3 . . 3.720 3.335 2.836 3.773 0.053 9 0 "[ . 1 . 2]" 1
2034 1 89 GLU HA 1 91 VAL H . . 5.280 4.813 4.655 4.936 . 0 0 "[ . 1 . 2]" 1
2035 1 89 GLU HA 1 92 VAL H . . 4.480 4.068 3.837 4.314 . 0 0 "[ . 1 . 2]" 1
2036 1 89 GLU HA 1 92 VAL QG . . 4.860 3.498 2.287 4.408 . 0 0 "[ . 1 . 2]" 1
2037 1 89 GLU HB2 1 90 ARG H . . 3.800 2.977 2.631 3.704 . 0 0 "[ . 1 . 2]" 1
2038 1 89 GLU HB2 1 90 ARG HA . . 5.170 4.607 4.215 5.186 0.016 11 0 "[ . 1 . 2]" 1
2039 1 89 GLU HB3 1 90 ARG H . . 4.050 3.792 3.401 4.148 0.098 11 0 "[ . 1 . 2]" 1
2040 1 89 GLU HG2 1 90 ARG H . . 5.170 4.966 4.606 5.252 0.082 13 0 "[ . 1 . 2]" 1
2041 1 89 GLU HG3 1 90 ARG H . . 5.120 4.706 4.281 5.175 0.055 10 0 "[ . 1 . 2]" 1
2042 1 90 ARG H 1 90 ARG HB2 . . 3.200 2.376 2.042 2.578 . 0 0 "[ . 1 . 2]" 1
2043 1 90 ARG H 1 90 ARG HB3 . . 3.610 3.568 3.264 3.694 0.084 11 0 "[ . 1 . 2]" 1
2044 1 90 ARG H 1 90 ARG QD . . 5.320 3.821 2.237 4.722 . 0 0 "[ . 1 . 2]" 1
2045 1 90 ARG H 1 90 ARG HG3 . . 3.840 3.770 3.055 4.265 0.425 13 0 "[ . 1 . 2]" 1
2046 1 90 ARG H 1 91 VAL H . . 3.360 2.345 1.814 2.518 . 0 0 "[ . 1 . 2]" 1
2047 1 90 ARG H 1 91 VAL HA . . 5.190 4.977 4.348 5.185 . 0 0 "[ . 1 . 2]" 1
2048 1 90 ARG H 1 91 VAL HB . . 4.980 4.374 4.070 5.084 0.104 11 0 "[ . 1 . 2]" 1
2049 1 90 ARG H 1 91 VAL QG . . 5.500 4.165 3.220 4.447 . 0 0 "[ . 1 . 2]" 1
2050 1 90 ARG H 1 92 VAL H . . 4.990 4.020 3.419 4.327 . 0 0 "[ . 1 . 2]" 1
2051 1 90 ARG HA 1 90 ARG QD . . 3.650 2.902 2.150 3.509 . 0 0 "[ . 1 . 2]" 1
2052 1 90 ARG HA 1 90 ARG HE . . 5.100 3.902 2.136 5.081 . 0 0 "[ . 1 . 2]" 1
2053 1 90 ARG HA 1 90 ARG HG2 . . 3.840 2.933 2.333 3.637 . 0 0 "[ . 1 . 2]" 1
2054 1 90 ARG HA 1 90 ARG HG3 . . 3.850 3.293 2.235 3.849 . 0 0 "[ . 1 . 2]" 1
2055 1 90 ARG HA 1 92 VAL H . . 5.500 4.730 4.531 4.923 . 0 0 "[ . 1 . 2]" 1
2056 1 90 ARG HA 1 93 GLU H . . 4.650 3.560 3.328 3.932 . 0 0 "[ . 1 . 2]" 1
2057 1 90 ARG HA 1 93 GLU HB2 . . 3.740 3.112 2.030 3.770 0.030 9 0 "[ . 1 . 2]" 1
2058 1 90 ARG HA 1 93 GLU HG2 . . 5.500 4.880 4.554 5.459 . 0 0 "[ . 1 . 2]" 1
2059 1 90 ARG HA 1 93 GLU HG3 . . 4.960 4.869 3.880 5.559 0.599 11 1 "[ . 1+ . 2]" 1
2060 1 90 ARG HA 1 94 GLN H . . 4.830 3.919 3.604 4.216 . 0 0 "[ . 1 . 2]" 1
2061 1 90 ARG HB2 1 90 ARG HE . . 5.270 4.461 3.798 5.058 . 0 0 "[ . 1 . 2]" 1
2062 1 90 ARG HB2 1 91 VAL H . . 3.850 2.597 2.296 3.060 . 0 0 "[ . 1 . 2]" 1
2063 1 90 ARG HB3 1 90 ARG HE . . 4.700 3.994 2.625 4.620 . 0 0 "[ . 1 . 2]" 1
2064 1 90 ARG HB3 1 91 VAL H . . 3.960 3.332 3.014 3.731 . 0 0 "[ . 1 . 2]" 1
2065 1 90 ARG QD 1 91 VAL H . . 5.190 4.649 4.016 5.033 . 0 0 "[ . 1 . 2]" 1
2066 1 90 ARG HE 1 90 ARG HG2 . . 3.980 2.828 2.288 3.498 . 0 0 "[ . 1 . 2]" 1
2067 1 90 ARG HG2 1 91 VAL H . . 5.500 4.736 4.163 5.199 . 0 0 "[ . 1 . 2]" 1
2068 1 90 ARG HG3 1 91 VAL H . . 4.860 4.810 4.383 5.210 0.350 13 0 "[ . 1 . 2]" 1
2069 1 91 VAL H 1 91 VAL HB . . 3.350 2.226 2.113 3.420 0.070 11 0 "[ . 1 . 2]" 1
2070 1 91 VAL H 1 91 VAL QG . . 3.500 2.733 2.028 2.896 . 0 0 "[ . 1 . 2]" 1
2071 1 91 VAL H 1 92 VAL H . . 3.440 2.885 2.706 3.113 . 0 0 "[ . 1 . 2]" 1
2072 1 91 VAL H 1 92 VAL QG . . 5.370 4.269 3.820 4.658 . 0 0 "[ . 1 . 2]" 1
2073 1 91 VAL HA 1 92 VAL QG . . 5.500 4.785 4.681 4.956 . 0 0 "[ . 1 . 2]" 1
2074 1 91 VAL HA 1 94 GLN H . . 4.270 3.726 3.371 3.920 . 0 0 "[ . 1 . 2]" 1
2075 1 91 VAL HA 1 94 GLN HB2 . . 3.780 2.960 2.460 3.515 . 0 0 "[ . 1 . 2]" 1
2076 1 91 VAL HA 1 94 GLN HG2 . . 5.270 4.223 3.651 4.688 . 0 0 "[ . 1 . 2]" 1
2077 1 91 VAL HA 1 95 MET H . . 4.730 4.239 3.610 4.519 . 0 0 "[ . 1 . 2]" 1
2078 1 91 VAL HB 1 92 VAL H . . 3.690 3.676 3.558 3.745 0.055 6 0 "[ . 1 . 2]" 1
2079 1 91 VAL QG 1 92 VAL H . . 3.700 2.133 1.982 2.401 . 0 0 "[ . 1 . 2]" 1
2080 1 91 VAL QG 1 92 VAL HA . . 3.810 3.232 3.080 3.412 . 0 0 "[ . 1 . 2]" 1
2081 1 91 VAL QG 1 92 VAL QG . . 3.840 2.330 2.002 2.987 . 0 0 "[ . 1 . 2]" 1
2082 1 91 VAL QG 1 94 GLN H . . 5.500 4.706 4.453 4.875 . 0 0 "[ . 1 . 2]" 1
2083 1 91 VAL QG 1 94 GLN HB2 . . 5.500 3.874 3.390 4.116 . 0 0 "[ . 1 . 2]" 1
2084 1 91 VAL QG 1 94 GLN HG2 . . 5.500 5.198 4.652 5.574 0.074 5 0 "[ . 1 . 2]" 1
2085 1 91 VAL QG 1 95 MET H . . 5.050 4.306 4.085 4.461 . 0 0 "[ . 1 . 2]" 1
2086 1 91 VAL QG 1 95 MET ME . . 3.290 2.777 2.215 3.224 . 0 0 "[ . 1 . 2]" 1
2087 1 91 VAL QG 1 95 MET HG2 . . 5.500 4.522 4.218 4.816 . 0 0 "[ . 1 . 2]" 1
2088 1 91 VAL QG 1 95 MET HG3 . . 4.800 3.594 3.015 4.105 . 0 0 "[ . 1 . 2]" 1
2089 1 92 VAL H 1 92 VAL HB . . 3.390 2.411 2.160 3.195 . 0 0 "[ . 1 . 2]" 1
2090 1 92 VAL H 1 92 VAL QG . . 3.370 2.254 1.872 2.427 . 0 0 "[ . 1 . 2]" 1
2091 1 92 VAL H 1 93 GLU H . . 3.380 2.545 2.344 2.706 . 0 0 "[ . 1 . 2]" 1
2092 1 92 VAL H 1 94 GLN H . . 5.430 4.590 4.285 4.835 . 0 0 "[ . 1 . 2]" 1
2093 1 92 VAL H 1 95 MET H . . 5.420 4.724 4.622 4.859 . 0 0 "[ . 1 . 2]" 1
2094 1 92 VAL H 1 95 MET ME . . 4.760 4.242 3.614 4.731 . 0 0 "[ . 1 . 2]" 1
2095 1 92 VAL HA 1 92 VAL QG . . 3.000 2.255 2.143 2.643 . 0 0 "[ . 1 . 2]" 1
2096 1 92 VAL HA 1 94 GLN H . . 5.190 4.815 4.396 5.133 . 0 0 "[ . 1 . 2]" 1
2097 1 92 VAL HA 1 95 MET H . . 3.910 3.229 3.011 3.463 . 0 0 "[ . 1 . 2]" 1
2098 1 92 VAL HA 1 95 MET HB2 . . 3.540 2.267 2.087 2.568 . 0 0 "[ . 1 . 2]" 1
2099 1 92 VAL HA 1 95 MET HB3 . . 4.200 3.871 3.537 4.236 0.036 19 0 "[ . 1 . 2]" 1
2100 1 92 VAL HA 1 95 MET ME . . 3.100 2.302 2.147 2.588 . 0 0 "[ . 1 . 2]" 1
2101 1 92 VAL HA 1 95 MET HG3 . . 4.810 3.952 3.401 4.436 . 0 0 "[ . 1 . 2]" 1
2102 1 92 VAL HA 1 96 CYS H . . 4.730 3.645 3.323 3.974 . 0 0 "[ . 1 . 2]" 1
2103 1 92 VAL HB 1 93 GLU H . . 3.990 3.547 2.985 4.087 0.097 19 0 "[ . 1 . 2]" 1
2104 1 92 VAL HB 1 95 MET ME . . 4.330 4.018 3.043 4.438 0.108 1 0 "[ . 1 . 2]" 1
2105 1 92 VAL QG 1 93 GLU H . . 4.220 3.188 2.278 3.681 . 0 0 "[ . 1 . 2]" 1
2106 1 92 VAL QG 1 93 GLU HA . . 4.720 3.691 3.038 3.965 . 0 0 "[ . 1 . 2]" 1
2107 1 92 VAL QG 1 95 MET H . . 5.240 4.340 4.146 4.563 . 0 0 "[ . 1 . 2]" 1
2108 1 92 VAL QG 1 95 MET HB3 . . 5.500 4.283 3.929 5.007 . 0 0 "[ . 1 . 2]" 1
2109 1 92 VAL QG 1 95 MET ME . . 5.140 2.447 2.094 3.530 . 0 0 "[ . 1 . 2]" 1
2110 1 92 VAL QG 1 96 CYS H . . 5.020 3.667 3.424 3.999 . 0 0 "[ . 1 . 2]" 1
2111 1 92 VAL QG 1 96 CYS HB2 . . 5.500 3.335 2.704 3.897 . 0 0 "[ . 1 . 2]" 1
2112 1 93 GLU H 1 93 GLU HB2 . . 3.360 2.525 2.158 2.804 . 0 0 "[ . 1 . 2]" 1
2113 1 93 GLU H 1 93 GLU HB3 . . 3.410 2.671 2.240 3.485 0.075 18 0 "[ . 1 . 2]" 1
2114 1 93 GLU H 1 93 GLU HG2 . . 4.450 4.358 4.260 4.520 0.070 7 0 "[ . 1 . 2]" 1
2115 1 93 GLU H 1 93 GLU HG3 . . 4.210 4.273 3.370 4.534 0.324 9 0 "[ . 1 . 2]" 1
2116 1 93 GLU H 1 94 GLN H . . 3.640 2.777 2.571 2.968 . 0 0 "[ . 1 . 2]" 1
2117 1 93 GLU H 1 94 GLN HB2 . . 4.960 4.511 4.226 4.854 . 0 0 "[ . 1 . 2]" 1
2118 1 93 GLU H 1 94 GLN HG2 . . 5.310 4.698 4.354 4.983 . 0 0 "[ . 1 . 2]" 1
2119 1 93 GLU H 1 95 MET H . . 3.770 3.845 3.822 3.858 0.088 19 0 "[ . 1 . 2]" 1
2120 1 93 GLU H 1 95 MET ME . . 5.400 5.268 4.869 5.488 0.088 18 0 "[ . 1 . 2]" 1
2121 1 93 GLU H 1 96 CYS H . . 4.750 4.576 4.449 4.709 . 0 0 "[ . 1 . 2]" 1
2122 1 93 GLU HA 1 93 GLU HG2 . . 3.830 2.824 2.149 3.286 . 0 0 "[ . 1 . 2]" 1
2123 1 93 GLU HA 1 93 GLU HG3 . . 3.770 2.654 2.271 3.013 . 0 0 "[ . 1 . 2]" 1
2124 1 93 GLU HA 1 96 CYS H . . 4.400 3.573 3.190 3.829 . 0 0 "[ . 1 . 2]" 1
2125 1 93 GLU HA 1 96 CYS HB3 . . 4.590 3.760 2.648 4.527 . 0 0 "[ . 1 . 2]" 1
2126 1 93 GLU HB2 1 94 GLN H . . 4.310 3.497 2.519 3.924 . 0 0 "[ . 1 . 2]" 1
2127 1 93 GLU HB3 1 94 GLN H . . 3.030 2.327 2.091 2.659 . 0 0 "[ . 1 . 2]" 1
2128 1 93 GLU HG2 1 94 GLN H . . 4.880 3.635 2.899 4.740 . 0 0 "[ . 1 . 2]" 1
2129 1 93 GLU HG2 1 94 GLN HA . . 5.500 4.158 3.241 5.577 0.077 4 0 "[ . 1 . 2]" 1
2130 1 93 GLU HG3 1 94 GLN H . . 4.810 4.554 4.213 4.853 0.043 13 0 "[ . 1 . 2]" 1
2131 1 94 GLN H 1 94 GLN HB2 . . 3.400 2.407 2.296 2.632 . 0 0 "[ . 1 . 2]" 1
2132 1 94 GLN H 1 94 GLN HE21 . . 3.940 4.008 3.943 4.035 0.095 20 0 "[ . 1 . 2]" 1
2133 1 94 GLN H 1 94 GLN HG2 . . 3.880 2.172 2.013 2.437 . 0 0 "[ . 1 . 2]" 1
2134 1 94 GLN H 1 94 GLN HG3 . . 3.880 3.156 2.667 3.643 . 0 0 "[ . 1 . 2]" 1
2135 1 94 GLN H 1 95 MET H . . 3.480 2.924 2.714 3.050 . 0 0 "[ . 1 . 2]" 1
2136 1 94 GLN H 1 95 MET HG3 . . 5.400 5.184 4.807 5.465 0.065 20 0 "[ . 1 . 2]" 1
2137 1 94 GLN H 1 96 CYS H . . 4.810 4.596 4.342 4.724 . 0 0 "[ . 1 . 2]" 1
2138 1 94 GLN H 1 97 VAL QG . . 5.330 4.087 3.712 4.604 . 0 0 "[ . 1 . 2]" 1
2139 1 94 GLN HA 1 94 GLN HE21 . . 5.030 3.004 2.098 3.816 . 0 0 "[ . 1 . 2]" 1
2140 1 94 GLN HA 1 94 GLN HG2 . . 3.820 2.759 2.577 2.986 . 0 0 "[ . 1 . 2]" 1
2141 1 94 GLN HA 1 94 GLN HG3 . . 3.720 3.769 3.692 3.844 0.124 13 0 "[ . 1 . 2]" 1
2142 1 94 GLN HA 1 96 CYS H . . 5.060 4.862 4.523 5.061 0.001 18 0 "[ . 1 . 2]" 1
2143 1 94 GLN HA 1 97 VAL H . . 4.090 3.714 3.457 3.929 . 0 0 "[ . 1 . 2]" 1
2144 1 94 GLN HA 1 97 VAL HB . . 3.340 2.681 2.379 3.230 . 0 0 "[ . 1 . 2]" 1
2145 1 94 GLN HA 1 97 VAL QG . . 3.870 2.816 2.311 3.251 . 0 0 "[ . 1 . 2]" 1
2146 1 94 GLN HA 1 98 THR H . . 4.730 4.252 3.954 4.652 . 0 0 "[ . 1 . 2]" 1
2147 1 94 GLN HB2 1 95 MET H . . 3.920 2.647 2.462 3.012 . 0 0 "[ . 1 . 2]" 1
2148 1 94 GLN HB2 1 95 MET HA . . 5.080 4.495 4.325 4.736 . 0 0 "[ . 1 . 2]" 1
2149 1 94 GLN HE21 1 97 VAL QG . . 5.150 3.774 2.744 4.482 . 0 0 "[ . 1 . 2]" 1
2150 1 94 GLN HE22 1 97 VAL QG . . 5.190 4.349 3.609 4.772 . 0 0 "[ . 1 . 2]" 1
2151 1 94 GLN HG2 1 95 MET H . . 4.720 4.527 4.389 4.698 . 0 0 "[ . 1 . 2]" 1
2152 1 94 GLN HG2 1 97 VAL QG . . 5.500 4.347 4.039 4.928 . 0 0 "[ . 1 . 2]" 1
2153 1 94 GLN HG3 1 95 MET H . . 5.050 4.776 4.359 5.102 0.052 17 0 "[ . 1 . 2]" 1
2154 1 95 MET H 1 95 MET HB2 . . 3.480 2.330 2.181 2.524 . 0 0 "[ . 1 . 2]" 1
2155 1 95 MET H 1 95 MET HB3 . . 3.910 3.593 3.485 3.691 . 0 0 "[ . 1 . 2]" 1
2156 1 95 MET H 1 95 MET ME . . 4.160 4.013 3.716 4.246 0.086 12 0 "[ . 1 . 2]" 1
2157 1 95 MET H 1 95 MET HG2 . . 4.090 3.902 3.386 4.113 0.023 20 0 "[ . 1 . 2]" 1
2158 1 95 MET H 1 95 MET HG3 . . 3.740 2.725 2.301 2.977 . 0 0 "[ . 1 . 2]" 1
2159 1 95 MET H 1 96 CYS H . . 3.090 2.742 2.457 3.017 . 0 0 "[ . 1 . 2]" 1
2160 1 95 MET H 1 97 VAL QG . . 5.500 4.678 4.413 4.907 . 0 0 "[ . 1 . 2]" 1
2161 1 95 MET H 1 98 THR H . . 4.900 4.868 4.633 4.982 0.082 6 0 "[ . 1 . 2]" 1
2162 1 95 MET HA 1 95 MET HG2 . . 3.590 2.549 2.284 2.807 . 0 0 "[ . 1 . 2]" 1
2163 1 95 MET HA 1 95 MET HG3 . . 3.900 2.680 2.313 3.154 . 0 0 "[ . 1 . 2]" 1
2164 1 95 MET HA 1 98 THR H . . 4.190 3.623 3.411 3.873 . 0 0 "[ . 1 . 2]" 1
2165 1 95 MET HA 1 98 THR HB . . 3.490 3.101 2.743 3.451 . 0 0 "[ . 1 . 2]" 1
2166 1 95 MET HA 1 98 THR MG . . 4.670 4.306 3.731 4.703 0.033 1 0 "[ . 1 . 2]" 1
2167 1 95 MET HA 1 99 GLN H . . 5.320 4.227 3.842 4.691 . 0 0 "[ . 1 . 2]" 1
2168 1 95 MET HB2 1 95 MET ME . . 3.150 2.262 2.118 2.458 . 0 0 "[ . 1 . 2]" 1
2169 1 95 MET HB2 1 96 CYS H . . 3.940 2.646 2.478 2.809 . 0 0 "[ . 1 . 2]" 1
2170 1 95 MET HB2 1 96 CYS HB2 . . 5.300 4.418 3.942 5.028 . 0 0 "[ . 1 . 2]" 1
2171 1 95 MET HB3 1 95 MET ME . . 2.920 2.564 2.282 2.771 . 0 0 "[ . 1 . 2]" 1
2172 1 95 MET HB3 1 96 CYS H . . 4.550 3.389 3.177 3.670 . 0 0 "[ . 1 . 2]" 1
2173 1 95 MET HB3 1 98 THR HB . . 5.390 4.985 4.612 5.229 . 0 0 "[ . 1 . 2]" 1
2174 1 95 MET ME 1 95 MET HG2 . . 3.750 2.994 2.527 3.460 . 0 0 "[ . 1 . 2]" 1
2175 1 95 MET ME 1 95 MET HG3 . . 3.840 3.121 2.588 3.456 . 0 0 "[ . 1 . 2]" 1
2176 1 95 MET ME 1 96 CYS H . . 4.910 4.325 4.166 4.539 . 0 0 "[ . 1 . 2]" 1
2177 1 95 MET HG2 1 96 CYS H . . 5.500 5.087 4.960 5.214 . 0 0 "[ . 1 . 2]" 1
2178 1 95 MET HG3 1 96 CYS H . . 5.410 4.655 4.514 4.787 . 0 0 "[ . 1 . 2]" 1
2179 1 96 CYS H 1 96 CYS HB2 . . 3.340 2.351 2.149 2.610 . 0 0 "[ . 1 . 2]" 1
2180 1 96 CYS H 1 96 CYS HB3 . . 3.850 3.078 2.294 3.563 . 0 0 "[ . 1 . 2]" 1
2181 1 96 CYS H 1 97 VAL H . . 3.660 2.677 2.480 2.910 . 0 0 "[ . 1 . 2]" 1
2182 1 96 CYS H 1 97 VAL QG . . 4.540 4.278 4.010 4.455 . 0 0 "[ . 1 . 2]" 1
2183 1 96 CYS H 1 98 THR H . . 5.040 4.352 4.037 4.535 . 0 0 "[ . 1 . 2]" 1
2184 1 96 CYS HA 1 99 GLN H . . 4.420 2.961 2.542 3.539 . 0 0 "[ . 1 . 2]" 1
2185 1 96 CYS HA 1 99 GLN HB2 . . 4.400 2.284 1.977 2.742 . 0 0 "[ . 1 . 2]" 1
2186 1 96 CYS HA 1 99 GLN HB3 . . 3.990 3.231 2.355 4.046 0.056 19 0 "[ . 1 . 2]" 1
2187 1 96 CYS HA 1 100 TYR H . . 4.800 3.646 3.384 3.985 . 0 0 "[ . 1 . 2]" 1
2188 1 96 CYS HB2 1 97 VAL H . . 4.440 3.557 2.555 4.142 . 0 0 "[ . 1 . 2]" 1
2189 1 96 CYS HB3 1 97 VAL H . . 4.600 3.304 2.723 3.681 . 0 0 "[ . 1 . 2]" 1
2190 1 97 VAL H 1 97 VAL HB . . 3.270 2.321 2.108 2.459 . 0 0 "[ . 1 . 2]" 1
2191 1 97 VAL H 1 97 VAL QG . . 3.220 2.424 2.230 2.817 . 0 0 "[ . 1 . 2]" 1
2192 1 97 VAL H 1 98 THR H . . 3.380 2.792 2.599 2.935 . 0 0 "[ . 1 . 2]" 1
2193 1 97 VAL H 1 98 THR HB . . 5.500 4.799 4.413 5.134 . 0 0 "[ . 1 . 2]" 1
2194 1 97 VAL H 1 100 TYR H . . 5.130 4.671 4.523 4.783 . 0 0 "[ . 1 . 2]" 1
2195 1 97 VAL HA 1 97 VAL QG . . 3.190 2.185 2.115 2.238 . 0 0 "[ . 1 . 2]" 1
2196 1 97 VAL HA 1 99 GLN H . . 5.490 4.642 4.389 4.886 . 0 0 "[ . 1 . 2]" 1
2197 1 97 VAL HA 1 100 TYR H . . 4.550 3.646 3.379 3.914 . 0 0 "[ . 1 . 2]" 1
2198 1 97 VAL HA 1 100 TYR HB2 . . 4.340 3.684 3.217 4.022 . 0 0 "[ . 1 . 2]" 1
2199 1 97 VAL HA 1 100 TYR HB3 . . 3.890 2.853 2.521 3.242 . 0 0 "[ . 1 . 2]" 1
2200 1 97 VAL HA 1 100 TYR QD . . 5.290 3.897 3.165 4.334 . 0 0 "[ . 1 . 2]" 1
2201 1 97 VAL HA 1 101 GLN H . . 4.930 4.128 3.884 4.569 . 0 0 "[ . 1 . 2]" 1
2202 1 97 VAL HA 1 101 GLN HG3 . . 4.980 4.201 3.951 4.386 . 0 0 "[ . 1 . 2]" 1
2203 1 97 VAL HB 1 98 THR H . . 3.390 2.784 2.397 3.461 0.071 4 0 "[ . 1 . 2]" 1
2204 1 97 VAL HB 1 98 THR HA . . 5.280 4.777 4.508 5.376 0.096 13 0 "[ . 1 . 2]" 1
2205 1 97 VAL HB 1 101 GLN HE21 . . 5.500 4.522 4.045 5.565 0.065 14 0 "[ . 1 . 2]" 1
2206 1 97 VAL QG 1 98 THR H . . 3.920 2.931 2.068 3.301 . 0 0 "[ . 1 . 2]" 1
2207 1 97 VAL QG 1 98 THR HA . . 4.340 3.362 2.992 3.655 . 0 0 "[ . 1 . 2]" 1
2208 1 97 VAL QG 1 100 TYR H . . 5.500 4.590 4.332 4.777 . 0 0 "[ . 1 . 2]" 1
2209 1 97 VAL QG 1 100 TYR HB2 . . 5.500 4.672 4.278 4.935 . 0 0 "[ . 1 . 2]" 1
2210 1 97 VAL QG 1 100 TYR HB3 . . 5.280 3.847 3.533 4.127 . 0 0 "[ . 1 . 2]" 1
2211 1 97 VAL QG 1 100 TYR QD . . 4.420 3.854 3.283 4.289 . 0 0 "[ . 1 . 2]" 1
2212 1 97 VAL QG 1 101 GLN H . . 5.200 4.157 3.872 4.450 . 0 0 "[ . 1 . 2]" 1
2213 1 97 VAL QG 1 101 GLN HB2 . . 5.470 4.378 3.919 4.708 . 0 0 "[ . 1 . 2]" 1
2214 1 97 VAL QG 1 101 GLN HE21 . . 4.150 2.051 1.676 2.719 . 0 0 "[ . 1 . 2]" 1
2215 1 97 VAL QG 1 101 GLN HE22 . . 4.080 2.673 2.260 3.304 . 0 0 "[ . 1 . 2]" 1
2216 1 97 VAL QG 1 101 GLN HG2 . . 4.330 4.262 3.896 4.371 0.041 16 0 "[ . 1 . 2]" 1
2217 1 97 VAL QG 1 101 GLN HG3 . . 4.590 3.185 2.837 3.360 . 0 0 "[ . 1 . 2]" 1
2218 1 98 THR H 1 98 THR HB . . 3.300 2.326 2.006 2.560 . 0 0 "[ . 1 . 2]" 1
2219 1 98 THR H 1 98 THR MG . . 4.080 3.699 3.489 3.779 . 0 0 "[ . 1 . 2]" 1
2220 1 98 THR H 1 99 GLN H . . 3.680 2.744 2.555 2.881 . 0 0 "[ . 1 . 2]" 1
2221 1 98 THR H 1 99 GLN HA . . 5.370 5.320 5.174 5.434 0.064 4 0 "[ . 1 . 2]" 1
2222 1 98 THR H 1 100 TYR H . . 5.400 4.305 4.080 4.533 . 0 0 "[ . 1 . 2]" 1
2223 1 98 THR HA 1 98 THR MG . . 3.270 2.581 2.381 2.978 . 0 0 "[ . 1 . 2]" 1
2224 1 98 THR HA 1 101 GLN H . . 4.290 3.310 3.154 3.495 . 0 0 "[ . 1 . 2]" 1
2225 1 98 THR HA 1 101 GLN HA . . 5.330 5.247 5.108 5.399 0.069 12 0 "[ . 1 . 2]" 1
2226 1 98 THR HA 1 101 GLN HB2 . . 3.630 2.470 2.239 2.777 . 0 0 "[ . 1 . 2]" 1
2227 1 98 THR HA 1 101 GLN HE22 . . 5.340 4.157 3.361 4.810 . 0 0 "[ . 1 . 2]" 1
2228 1 98 THR HA 1 101 GLN HG2 . . 4.720 4.801 4.766 4.815 0.095 9 0 "[ . 1 . 2]" 1
2229 1 98 THR HA 1 101 GLN HG3 . . 4.780 3.579 3.306 3.912 . 0 0 "[ . 1 . 2]" 1
2230 1 98 THR HA 1 102 LYS H . . 4.870 3.834 3.629 4.030 . 0 0 "[ . 1 . 2]" 1
2231 1 98 THR HB 1 99 GLN H . . 3.810 2.697 2.473 2.927 . 0 0 "[ . 1 . 2]" 1
2232 1 98 THR HB 1 99 GLN HA . . 5.000 4.513 4.116 4.891 . 0 0 "[ . 1 . 2]" 1
2233 1 98 THR MG 1 99 GLN H . . 4.330 3.290 2.560 3.678 . 0 0 "[ . 1 . 2]" 1
2234 1 98 THR MG 1 99 GLN HA . . 4.540 3.405 2.749 3.723 . 0 0 "[ . 1 . 2]" 1
2235 1 98 THR MG 1 99 GLN HG2 . . 4.670 4.304 3.432 4.785 0.115 16 0 "[ . 1 . 2]" 1
2236 1 98 THR MG 1 101 GLN H . . 5.500 4.756 4.609 4.905 . 0 0 "[ . 1 . 2]" 1
2237 1 98 THR MG 1 101 GLN HB2 . . 5.500 3.736 3.508 4.220 . 0 0 "[ . 1 . 2]" 1
2238 1 98 THR MG 1 102 LYS H . . 5.080 3.803 3.616 4.005 . 0 0 "[ . 1 . 2]" 1
2239 1 98 THR MG 1 102 LYS HB2 . . 4.720 3.993 3.732 4.129 . 0 0 "[ . 1 . 2]" 1
2240 1 98 THR MG 1 102 LYS HB3 . . 4.730 4.812 4.640 4.840 0.110 3 0 "[ . 1 . 2]" 1
2241 1 98 THR MG 1 102 LYS QD . . 4.360 2.148 1.913 3.840 . 0 0 "[ . 1 . 2]" 1
2242 1 98 THR MG 1 102 LYS QE . . 3.740 3.441 2.645 3.781 0.041 5 0 "[ . 1 . 2]" 1
2243 1 98 THR MG 1 102 LYS HG2 . . 3.950 3.718 3.290 4.023 0.073 13 0 "[ . 1 . 2]" 1
2244 1 98 THR MG 1 102 LYS HG3 . . 3.590 2.648 2.175 3.066 . 0 0 "[ . 1 . 2]" 1
2245 1 99 GLN H 1 99 GLN HB2 . . 3.850 2.152 2.055 2.280 . 0 0 "[ . 1 . 2]" 1
2246 1 99 GLN H 1 99 GLN HB3 . . 4.070 3.312 2.783 3.595 . 0 0 "[ . 1 . 2]" 1
2247 1 99 GLN H 1 99 GLN HG2 . . 5.460 3.542 2.651 4.412 . 0 0 "[ . 1 . 2]" 1
2248 1 99 GLN H 1 99 GLN HG3 . . 5.460 4.133 3.388 4.618 . 0 0 "[ . 1 . 2]" 1
2249 1 99 GLN H 1 100 TYR H . . 4.140 2.833 2.728 2.943 . 0 0 "[ . 1 . 2]" 1
2250 1 99 GLN H 1 101 GLN H . . 5.360 4.329 4.171 4.436 . 0 0 "[ . 1 . 2]" 1
2251 1 99 GLN HA 1 99 GLN QE . . 5.010 3.219 2.595 3.786 . 0 0 "[ . 1 . 2]" 1
2252 1 99 GLN HA 1 100 TYR HA . . 4.850 4.847 4.777 4.910 0.060 18 0 "[ . 1 . 2]" 1
2253 1 99 GLN HA 1 101 GLN H . . 5.190 4.564 4.278 4.705 . 0 0 "[ . 1 . 2]" 1
2254 1 99 GLN HA 1 102 LYS H . . 4.150 3.439 3.269 3.665 . 0 0 "[ . 1 . 2]" 1
2255 1 99 GLN HA 1 102 LYS HB2 . . 3.910 2.430 2.316 2.543 . 0 0 "[ . 1 . 2]" 1
2256 1 99 GLN HA 1 102 LYS HB3 . . 4.020 4.036 3.920 4.093 0.073 19 0 "[ . 1 . 2]" 1
2257 1 99 GLN HA 1 102 LYS QD . . 4.070 2.648 2.180 4.012 . 0 0 "[ . 1 . 2]" 1
2258 1 99 GLN HA 1 102 LYS QE . . 4.960 3.712 2.213 4.430 . 0 0 "[ . 1 . 2]" 1
2259 1 99 GLN HA 1 102 LYS HG2 . . 5.160 4.836 4.511 5.082 . 0 0 "[ . 1 . 2]" 1
2260 1 99 GLN HA 1 102 LYS HG3 . . 5.430 3.764 2.927 4.185 . 0 0 "[ . 1 . 2]" 1
2261 1 99 GLN HA 1 103 GLU H . . 5.210 3.733 3.592 3.941 . 0 0 "[ . 1 . 2]" 1
2262 1 99 GLN HB2 1 100 TYR H . . 5.020 3.275 2.827 3.840 . 0 0 "[ . 1 . 2]" 1
2263 1 99 GLN HB3 1 100 TYR H . . 4.510 3.090 2.598 3.649 . 0 0 "[ . 1 . 2]" 1
2264 1 99 GLN QE 1 102 LYS QD . . 4.680 4.064 3.306 4.635 . 0 0 "[ . 1 . 2]" 1
2265 1 99 GLN QE 1 102 LYS QE . . 4.840 3.688 2.274 4.704 . 0 0 "[ . 1 . 2]" 1
2266 1 99 GLN QE 1 103 GLU HG2 . . 5.000 2.761 2.089 3.759 . 0 0 "[ . 1 . 2]" 1
2267 1 99 GLN QE 1 103 GLU HG3 . . 5.300 3.313 2.457 4.559 . 0 0 "[ . 1 . 2]" 1
2268 1 100 TYR H 1 100 TYR HB2 . . 3.980 2.545 2.430 2.647 . 0 0 "[ . 1 . 2]" 1
2269 1 100 TYR H 1 100 TYR HB3 . . 4.020 2.440 2.363 2.575 . 0 0 "[ . 1 . 2]" 1
2270 1 100 TYR H 1 100 TYR QD . . 4.680 4.194 4.139 4.244 . 0 0 "[ . 1 . 2]" 1
2271 1 100 TYR H 1 101 GLN H . . 3.810 2.835 2.705 3.100 . 0 0 "[ . 1 . 2]" 1
2272 1 100 TYR HA 1 102 LYS H . . 5.500 4.716 4.497 4.903 . 0 0 "[ . 1 . 2]" 1
2273 1 100 TYR HA 1 103 GLU H . . 5.010 3.699 3.466 3.904 . 0 0 "[ . 1 . 2]" 1
2274 1 100 TYR HA 1 103 GLU HB3 . . 5.470 4.508 3.926 4.990 . 0 0 "[ . 1 . 2]" 1
2275 1 100 TYR HA 1 103 GLU HG3 . . 4.920 4.585 3.918 5.775 0.855 10 1 "[ . + . 2]" 1
2276 1 100 TYR HB2 1 101 GLN H . . 4.360 3.833 3.746 3.971 . 0 0 "[ . 1 . 2]" 1
2277 1 100 TYR HB2 1 101 GLN HG3 . . 5.500 5.156 4.880 5.386 . 0 0 "[ . 1 . 2]" 1
2278 1 100 TYR HB3 1 101 GLN H . . 3.920 2.434 2.306 2.636 . 0 0 "[ . 1 . 2]" 1
2279 1 100 TYR QD 1 101 GLN H . . 4.860 3.538 3.024 3.939 . 0 0 "[ . 1 . 2]" 1
2280 1 100 TYR QD 1 101 GLN HA . . 5.250 3.973 3.460 4.434 . 0 0 "[ . 1 . 2]" 1
2281 1 100 TYR QD 1 101 GLN HG2 . . 4.490 3.866 2.892 4.526 0.036 17 0 "[ . 1 . 2]" 1
2282 1 100 TYR QD 1 101 GLN HG3 . . 5.020 3.216 2.714 3.704 . 0 0 "[ . 1 . 2]" 1
2283 1 100 TYR QE 1 104 SER HB2 . . 4.670 4.621 3.749 4.766 0.096 20 0 "[ . 1 . 2]" 1
2284 1 101 GLN H 1 101 GLN HB2 . . 3.480 2.443 2.334 2.591 . 0 0 "[ . 1 . 2]" 1
2285 1 101 GLN H 1 101 GLN HB3 . . 3.810 3.589 3.537 3.643 . 0 0 "[ . 1 . 2]" 1
2286 1 101 GLN H 1 101 GLN HE22 . . 5.490 5.422 5.061 5.568 0.078 19 0 "[ . 1 . 2]" 1
2287 1 101 GLN H 1 101 GLN HG2 . . 3.610 3.485 3.146 3.663 0.053 4 0 "[ . 1 . 2]" 1
2288 1 101 GLN H 1 101 GLN HG3 . . 3.720 2.323 2.122 2.488 . 0 0 "[ . 1 . 2]" 1
2289 1 101 GLN H 1 102 LYS H . . 3.620 2.868 2.692 3.030 . 0 0 "[ . 1 . 2]" 1
2290 1 101 GLN HA 1 101 GLN HG2 . . 3.960 2.423 2.239 2.585 . 0 0 "[ . 1 . 2]" 1
2291 1 101 GLN HA 1 101 GLN HG3 . . 3.860 2.926 2.702 3.195 . 0 0 "[ . 1 . 2]" 1
2292 1 101 GLN HA 1 104 SER H . . 4.460 3.799 3.542 4.179 . 0 0 "[ . 1 . 2]" 1
2293 1 101 GLN HA 1 104 SER HB3 . . 5.260 4.146 3.005 4.758 . 0 0 "[ . 1 . 2]" 1
2294 1 101 GLN HA 1 105 GLN H . . 5.500 3.992 3.786 4.279 . 0 0 "[ . 1 . 2]" 1
2295 1 101 GLN HB2 1 101 GLN HE22 . . 4.980 4.307 3.863 4.739 . 0 0 "[ . 1 . 2]" 1
2296 1 101 GLN HB2 1 102 LYS H . . 3.960 2.602 2.406 2.831 . 0 0 "[ . 1 . 2]" 1
2297 1 101 GLN HB3 1 101 GLN HE22 . . 5.090 4.632 4.329 4.913 . 0 0 "[ . 1 . 2]" 1
2298 1 101 GLN HB3 1 102 LYS H . . 4.170 3.471 3.155 3.702 . 0 0 "[ . 1 . 2]" 1
2299 1 101 GLN HE22 1 101 GLN HG2 . . 4.120 3.918 3.592 4.071 . 0 0 "[ . 1 . 2]" 1
2300 1 101 GLN HE22 1 101 GLN HG3 . . 3.810 3.538 3.491 3.658 . 0 0 "[ . 1 . 2]" 1
2301 1 101 GLN HG2 1 102 LYS H . . 5.040 4.993 4.875 5.101 0.061 4 0 "[ . 1 . 2]" 1
2302 1 101 GLN HG2 1 104 SER HB2 . . 5.500 4.923 4.397 5.546 0.046 13 0 "[ . 1 . 2]" 1
2303 1 101 GLN HG3 1 102 LYS H . . 5.070 4.493 4.347 4.595 . 0 0 "[ . 1 . 2]" 1
2304 1 102 LYS H 1 102 LYS HB2 . . 3.420 2.391 2.318 2.464 . 0 0 "[ . 1 . 2]" 1
2305 1 102 LYS H 1 102 LYS HB3 . . 3.510 3.552 3.511 3.572 0.062 11 0 "[ . 1 . 2]" 1
2306 1 102 LYS H 1 102 LYS QD . . 4.580 3.647 3.298 4.406 . 0 0 "[ . 1 . 2]" 1
2307 1 102 LYS H 1 102 LYS QE . . 5.170 4.775 3.896 5.254 0.084 9 0 "[ . 1 . 2]" 1
2308 1 102 LYS H 1 102 LYS HG2 . . 4.340 3.631 3.312 3.859 . 0 0 "[ . 1 . 2]" 1
2309 1 102 LYS H 1 102 LYS HG3 . . 3.830 2.394 2.186 2.808 . 0 0 "[ . 1 . 2]" 1
2310 1 102 LYS H 1 103 GLU H . . 3.530 2.989 2.820 3.118 . 0 0 "[ . 1 . 2]" 1
2311 1 102 LYS H 1 104 SER H . . 4.790 4.331 4.037 4.607 . 0 0 "[ . 1 . 2]" 1
2312 1 102 LYS H 1 105 GLN H . . 4.670 4.709 4.583 4.751 0.081 2 0 "[ . 1 . 2]" 1
2313 1 102 LYS H 1 105 GLN HE21 . . 4.590 4.646 4.583 4.683 0.093 17 0 "[ . 1 . 2]" 1
2314 1 102 LYS H 1 105 GLN HE22 . . 5.390 5.273 4.457 5.469 0.079 8 0 "[ . 1 . 2]" 1
2315 1 102 LYS HA 1 102 LYS QD . . 4.330 4.099 3.605 4.184 . 0 0 "[ . 1 . 2]" 1
2316 1 102 LYS HA 1 102 LYS HG2 . . 3.640 2.551 2.383 2.750 . 0 0 "[ . 1 . 2]" 1
2317 1 102 LYS HA 1 102 LYS HG3 . . 3.840 2.847 2.658 3.422 . 0 0 "[ . 1 . 2]" 1
2318 1 102 LYS HA 1 105 GLN H . . 4.360 3.625 3.316 3.846 . 0 0 "[ . 1 . 2]" 1
2319 1 102 LYS HA 1 105 GLN QB . . 3.520 2.858 2.543 3.204 . 0 0 "[ . 1 . 2]" 1
2320 1 102 LYS HA 1 105 GLN HG3 . . 4.800 4.809 4.396 5.315 0.515 9 2 "[ - . +1 . 2]" 1
2321 1 102 LYS HB2 1 102 LYS QD . . 3.340 2.451 2.248 3.239 . 0 0 "[ . 1 . 2]" 1
2322 1 102 LYS HB2 1 102 LYS QE . . 4.460 3.075 1.968 3.854 . 0 0 "[ . 1 . 2]" 1
2323 1 102 LYS HB2 1 103 GLU H . . 3.970 2.462 2.303 2.646 . 0 0 "[ . 1 . 2]" 1
2324 1 102 LYS HB3 1 102 LYS QE . . 4.700 2.612 2.144 3.856 . 0 0 "[ . 1 . 2]" 1
2325 1 102 LYS HB3 1 103 GLU H . . 3.960 3.269 3.037 3.473 . 0 0 "[ . 1 . 2]" 1
2326 1 102 LYS HB3 1 106 ALA MB . . 3.960 4.023 3.747 4.075 0.115 19 0 "[ . 1 . 2]" 1
2327 1 102 LYS QE 1 102 LYS HG2 . . 3.260 2.808 2.373 3.350 0.090 11 0 "[ . 1 . 2]" 1
2328 1 102 LYS QE 1 105 GLN HE22 . . 5.270 5.006 4.155 5.369 0.099 3 0 "[ . 1 . 2]" 1
2329 1 102 LYS HG3 1 103 GLU H . . 5.500 4.547 4.461 4.699 . 0 0 "[ . 1 . 2]" 1
2330 1 103 GLU H 1 103 GLU HB2 . . 3.770 2.301 2.020 2.481 . 0 0 "[ . 1 . 2]" 1
2331 1 103 GLU H 1 103 GLU HB3 . . 3.800 3.534 3.249 3.604 . 0 0 "[ . 1 . 2]" 1
2332 1 103 GLU H 1 103 GLU HG2 . . 3.840 2.750 2.294 4.046 0.206 10 0 "[ . 1 . 2]" 1
2333 1 103 GLU H 1 103 GLU HG3 . . 4.070 3.761 3.397 4.103 0.033 20 0 "[ . 1 . 2]" 1
2334 1 103 GLU H 1 105 GLN H . . 5.330 4.322 4.208 4.493 . 0 0 "[ . 1 . 2]" 1
2335 1 103 GLU HA 1 103 GLU HG2 . . 4.020 2.837 2.508 3.668 . 0 0 "[ . 1 . 2]" 1
2336 1 103 GLU HA 1 106 ALA H . . 4.040 3.412 3.116 3.682 . 0 0 "[ . 1 . 2]" 1
2337 1 103 GLU HA 1 106 ALA MB . . 3.590 2.440 2.190 2.857 . 0 0 "[ . 1 . 2]" 1
2338 1 103 GLU HB2 1 104 SER H . . 3.910 2.794 2.368 3.153 . 0 0 "[ . 1 . 2]" 1
2339 1 103 GLU HB3 1 104 SER H . . 4.100 3.425 2.815 3.847 . 0 0 "[ . 1 . 2]" 1
2340 1 103 GLU HB3 1 104 SER HA . . 5.030 4.266 3.880 4.618 . 0 0 "[ . 1 . 2]" 1
2341 1 103 GLU HB3 1 106 ALA MB . . 4.890 4.521 4.151 4.982 0.092 17 0 "[ . 1 . 2]" 1
2342 1 103 GLU HG2 1 104 SER H . . 5.150 4.752 4.495 5.125 . 0 0 "[ . 1 . 2]" 1
2343 1 104 SER H 1 104 SER HB2 . . 3.630 2.314 2.140 2.463 . 0 0 "[ . 1 . 2]" 1
2344 1 104 SER H 1 104 SER HB3 . . 3.790 3.487 2.852 3.601 . 0 0 "[ . 1 . 2]" 1
2345 1 104 SER H 1 105 GLN H . . 3.420 2.856 2.669 2.977 . 0 0 "[ . 1 . 2]" 1
2346 1 104 SER H 1 105 GLN QB . . 4.570 4.424 4.224 4.581 0.011 8 0 "[ . 1 . 2]" 1
2347 1 104 SER H 1 106 ALA H . . 4.940 4.209 3.999 4.520 . 0 0 "[ . 1 . 2]" 1
2348 1 104 SER H 1 107 ALA H . . 4.890 4.729 4.590 4.939 0.049 4 0 "[ . 1 . 2]" 1
2349 1 104 SER H 1 107 ALA MB . . 5.180 4.707 4.415 4.907 . 0 0 "[ . 1 . 2]" 1
2350 1 104 SER HA 1 107 ALA H . . 4.070 3.509 3.244 3.770 . 0 0 "[ . 1 . 2]" 1
2351 1 104 SER HA 1 107 ALA MB . . 3.620 2.701 2.404 2.994 . 0 0 "[ . 1 . 2]" 1
2352 1 104 SER HA 1 108 ALA H . . 5.030 4.154 3.719 5.065 0.035 17 0 "[ . 1 . 2]" 1
2353 1 104 SER HB2 1 105 GLN H . . 4.390 2.789 2.420 3.594 . 0 0 "[ . 1 . 2]" 1
2354 1 104 SER HB2 1 105 GLN QB . . 4.780 4.125 3.734 4.877 0.097 16 0 "[ . 1 . 2]" 1
2355 1 104 SER HB2 1 107 ALA MB . . 5.490 5.220 4.877 5.471 . 0 0 "[ . 1 . 2]" 1
2356 1 104 SER HB3 1 105 GLN H . . 4.680 3.357 2.598 3.658 . 0 0 "[ . 1 . 2]" 1
2357 1 104 SER HB3 1 105 GLN HA . . 4.030 4.090 3.872 4.117 0.087 9 0 "[ . 1 . 2]" 1
2358 1 105 GLN H 1 105 GLN QB . . 3.020 1.966 1.814 2.040 . 0 0 "[ . 1 . 2]" 1
2359 1 105 GLN H 1 105 GLN HE21 . . 3.640 3.420 2.973 3.718 0.078 16 0 "[ . 1 . 2]" 1
2360 1 105 GLN H 1 105 GLN HE22 . . 4.610 4.682 4.599 4.706 0.096 3 0 "[ . 1 . 2]" 1
2361 1 105 GLN H 1 105 GLN HG2 . . 4.300 4.280 3.784 4.381 0.081 14 0 "[ . 1 . 2]" 1
2362 1 105 GLN H 1 105 GLN HG3 . . 4.720 4.489 4.369 4.587 . 0 0 "[ . 1 . 2]" 1
2363 1 105 GLN H 1 106 ALA HA . . 5.500 5.149 4.894 5.282 . 0 0 "[ . 1 . 2]" 1
2364 1 105 GLN H 1 106 ALA MB . . 5.170 4.235 4.056 4.403 . 0 0 "[ . 1 . 2]" 1
2365 1 105 GLN HA 1 105 GLN HE21 . . 5.270 4.579 4.230 4.829 . 0 0 "[ . 1 . 2]" 1
2366 1 105 GLN HA 1 105 GLN HG2 . . 3.640 3.026 2.850 3.500 . 0 0 "[ . 1 . 2]" 1
2367 1 105 GLN HA 1 105 GLN HG3 . . 3.720 3.637 2.945 3.789 0.069 20 0 "[ . 1 . 2]" 1
2368 1 105 GLN HA 1 106 ALA H . . 3.560 3.615 3.580 3.639 0.079 17 0 "[ . 1 . 2]" 1
2369 1 105 GLN HA 1 107 ALA H . . 4.410 4.072 3.718 4.339 . 0 0 "[ . 1 . 2]" 1
2370 1 105 GLN HA 1 108 ALA H . . 3.900 3.405 3.130 3.594 . 0 0 "[ . 1 . 2]" 1
2371 1 105 GLN HA 1 108 ALA MB . . 3.450 2.745 2.293 3.517 0.067 3 0 "[ . 1 . 2]" 1
2372 1 105 GLN HA 1 109 ASP H . . 4.500 3.207 2.792 3.644 . 0 0 "[ . 1 . 2]" 1
2373 1 105 GLN HA 1 109 ASP QB . . 5.090 3.492 2.796 4.122 . 0 0 "[ . 1 . 2]" 1
2374 1 105 GLN HA 1 110 GLY H . . 5.470 5.184 4.640 5.552 0.082 4 0 "[ . 1 . 2]" 1
2375 1 105 GLN QB 1 105 GLN HG2 . . 2.750 2.493 2.345 2.604 . 0 0 "[ . 1 . 2]" 1
2376 1 105 GLN QB 1 106 ALA H . . 3.350 2.828 2.426 3.013 . 0 0 "[ . 1 . 2]" 1
2377 1 105 GLN QB 1 106 ALA HA . . 4.600 4.559 4.236 4.653 0.053 13 0 "[ . 1 . 2]" 1
2378 1 105 GLN QB 1 106 ALA MB . . 4.120 4.112 3.836 4.215 0.095 18 0 "[ . 1 . 2]" 1
2379 1 105 GLN QB 1 107 ALA H . . 4.960 4.752 4.547 4.905 . 0 0 "[ . 1 . 2]" 1
2380 1 105 GLN QB 1 108 ALA H . . 5.180 5.031 4.758 5.212 0.032 6 0 "[ . 1 . 2]" 1
2381 1 105 GLN QB 1 109 ASP QB . . 5.120 4.045 3.468 4.518 . 0 0 "[ . 1 . 2]" 1
2382 1 105 GLN HE21 1 106 ALA H . . 4.020 3.095 2.115 3.672 . 0 0 "[ . 1 . 2]" 1
2383 1 105 GLN HE21 1 106 ALA MB . . 5.120 3.654 2.863 4.265 . 0 0 "[ . 1 . 2]" 1
2384 1 105 GLN HE21 1 109 ASP QB . . 5.430 5.380 4.953 5.535 0.105 11 0 "[ . 1 . 2]" 1
2385 1 105 GLN HE22 1 106 ALA H . . 5.010 3.692 3.296 5.072 0.062 3 0 "[ . 1 . 2]" 1
2386 1 105 GLN HE22 1 106 ALA MB . . 5.390 3.298 2.700 5.369 . 0 0 "[ . 1 . 2]" 1
2387 1 105 GLN HG2 1 106 ALA H . . 5.430 3.682 2.833 3.994 . 0 0 "[ . 1 . 2]" 1
2388 1 105 GLN HG2 1 106 ALA HA . . 5.230 3.656 2.748 4.088 . 0 0 "[ . 1 . 2]" 1
2389 1 105 GLN HG2 1 106 ALA MB . . 5.130 4.347 3.380 4.718 . 0 0 "[ . 1 . 2]" 1
2390 1 105 GLN HG2 1 109 ASP HA . . 5.260 5.328 4.915 5.988 0.728 5 3 "[ * + -1 . 2]" 1
2391 1 105 GLN HG3 1 106 ALA HA . . 5.340 5.038 4.234 5.334 . 0 0 "[ . 1 . 2]" 1
2392 1 105 GLN HG3 1 106 ALA MB . . 5.150 5.180 4.862 5.251 0.101 16 0 "[ . 1 . 2]" 1
2393 1 105 GLN HG3 1 109 ASP QB . . 4.710 3.628 2.530 4.244 . 0 0 "[ . 1 . 2]" 1
2394 1 106 ALA H 1 106 ALA MB . . 2.950 2.154 2.030 2.228 . 0 0 "[ . 1 . 2]" 1
2395 1 106 ALA H 1 107 ALA H . . 3.210 2.771 2.628 3.044 . 0 0 "[ . 1 . 2]" 1
2396 1 106 ALA H 1 111 ARG H . . 5.040 5.016 4.644 5.140 0.100 17 0 "[ . 1 . 2]" 1
2397 1 106 ALA HA 1 109 ASP QB . . 3.340 3.420 3.245 3.471 0.131 4 0 "[ . 1 . 2]" 1
2398 1 106 ALA HA 1 110 GLY H . . 3.780 3.653 3.258 3.841 0.061 6 0 "[ . 1 . 2]" 1
2399 1 106 ALA HA 1 111 ARG H . . 3.990 2.377 2.134 2.705 . 0 0 "[ . 1 . 2]" 1
2400 1 106 ALA HA 1 111 ARG HB2 . . 4.840 2.350 2.060 3.025 . 0 0 "[ . 1 . 2]" 1
2401 1 106 ALA HA 1 111 ARG HB3 . . 4.690 3.819 3.511 4.738 0.048 17 0 "[ . 1 . 2]" 1
2402 1 106 ALA HA 1 111 ARG HG2 . . 5.100 4.238 3.681 4.628 . 0 0 "[ . 1 . 2]" 1
2403 1 106 ALA HA 1 111 ARG HG3 . . 4.960 4.342 3.724 4.972 0.012 20 0 "[ . 1 . 2]" 1
2404 1 106 ALA HA 1 112 ARG H . . 5.130 4.045 3.555 4.878 . 0 0 "[ . 1 . 2]" 1
2405 1 106 ALA MB 1 111 ARG H . . 4.500 3.771 3.391 4.041 . 0 0 "[ . 1 . 2]" 1
2406 1 106 ALA MB 1 111 ARG HB2 . . 3.780 3.293 2.770 3.661 . 0 0 "[ . 1 . 2]" 1
2407 1 106 ALA MB 1 111 ARG HB3 . . 4.130 3.980 3.595 4.206 0.076 13 0 "[ . 1 . 2]" 1
2408 1 106 ALA MB 1 111 ARG QD . . 5.420 5.446 5.243 5.551 0.131 20 0 "[ . 1 . 2]" 1
2409 1 106 ALA MB 1 112 ARG HA . . 5.460 2.117 1.919 2.799 . 0 0 "[ . 1 . 2]" 1
2410 1 106 ALA MB 1 113 SER H . . 5.390 3.178 2.582 3.759 . 0 0 "[ . 1 . 2]" 1
2411 1 106 ALA MB 1 113 SER HA . . 5.380 5.365 5.023 5.502 0.122 18 0 "[ . 1 . 2]" 1
2412 1 106 ALA MB 1 113 SER QB . . 5.440 4.454 3.939 4.932 . 0 0 "[ . 1 . 2]" 1
2413 1 106 ALA MB 1 114 SER HA . . 5.150 4.942 4.368 5.252 0.102 11 0 "[ . 1 . 2]" 1
2414 1 107 ALA H 1 107 ALA HA . . 2.940 2.932 2.848 2.987 0.047 4 0 "[ . 1 . 2]" 1
2415 1 107 ALA H 1 107 ALA MB . . 2.840 2.267 2.212 2.351 . 0 0 "[ . 1 . 2]" 1
2416 1 107 ALA H 1 110 GLY H . . 4.190 4.248 4.138 4.274 0.084 8 0 "[ . 1 . 2]" 1
2417 1 107 ALA HA 1 110 GLY QA . . 4.110 3.672 3.207 4.175 0.065 3 0 "[ . 1 . 2]" 1
2418 1 107 ALA HA 1 112 ARG QD . . 4.960 3.660 2.158 4.990 0.030 9 0 "[ . 1 . 2]" 1
2419 1 107 ALA HA 1 112 ARG QG . . 5.180 3.486 2.426 5.022 . 0 0 "[ . 1 . 2]" 1
2420 1 108 ALA H 1 108 ALA HA . . 2.900 2.895 2.768 2.974 0.074 9 0 "[ . 1 . 2]" 1
2421 1 108 ALA H 1 108 ALA MB . . 2.740 2.272 2.120 2.592 . 0 0 "[ . 1 . 2]" 1
2422 1 108 ALA H 1 109 ASP H . . 3.050 2.441 1.779 2.895 . 0 0 "[ . 1 . 2]" 1
2423 1 108 ALA H 1 109 ASP QB . . 4.940 4.306 3.808 4.896 . 0 0 "[ . 1 . 2]" 1
2424 1 108 ALA H 1 110 GLY H . . 4.150 3.333 2.450 3.961 . 0 0 "[ . 1 . 2]" 1
2425 1 108 ALA HA 1 109 ASP HA . . 4.640 4.703 4.649 4.721 0.081 7 0 "[ . 1 . 2]" 1
2426 1 108 ALA MB 1 109 ASP H . . 3.340 2.662 2.277 3.036 . 0 0 "[ . 1 . 2]" 1
2427 1 108 ALA MB 1 109 ASP HA . . 4.550 4.110 3.835 4.316 . 0 0 "[ . 1 . 2]" 1
2428 1 108 ALA MB 1 109 ASP QB . . 4.350 3.890 3.264 4.428 0.078 5 0 "[ . 1 . 2]" 1
2429 1 109 ASP H 1 109 ASP QB . . 2.800 2.329 2.053 2.484 . 0 0 "[ . 1 . 2]" 1
2430 1 109 ASP H 1 110 GLY QA . . 4.920 4.195 3.939 4.404 . 0 0 "[ . 1 . 2]" 1
2431 1 109 ASP H 1 111 ARG H . . 3.650 3.681 3.459 3.734 0.084 17 0 "[ . 1 . 2]" 1
2432 1 109 ASP H 1 111 ARG HG2 . . 5.500 4.992 4.463 5.570 0.070 15 0 "[ . 1 . 2]" 1
2433 1 109 ASP HA 1 109 ASP QB . . 2.740 2.431 2.133 2.560 . 0 0 "[ . 1 . 2]" 1
2434 1 109 ASP HA 1 110 GLY H . . 3.470 3.439 3.313 3.520 0.050 16 0 "[ . 1 . 2]" 1
2435 1 109 ASP HA 1 110 GLY QA . . 4.250 4.280 4.100 4.343 0.093 7 0 "[ . 1 . 2]" 1
2436 1 109 ASP HA 1 111 ARG H . . 4.820 4.562 4.326 4.914 0.094 4 0 "[ . 1 . 2]" 1
2437 1 109 ASP QB 1 110 GLY H . . 3.560 3.182 2.729 3.482 . 0 0 "[ . 1 . 2]" 1
2438 1 109 ASP QB 1 110 GLY QA . . 4.430 4.254 4.016 4.564 0.134 17 0 "[ . 1 . 2]" 1
2439 1 109 ASP QB 1 111 ARG H . . 4.310 2.834 2.369 3.948 . 0 0 "[ . 1 . 2]" 1
2440 1 109 ASP QB 1 111 ARG HB2 . . 5.170 3.137 2.390 4.645 . 0 0 "[ . 1 . 2]" 1
2441 1 109 ASP QB 1 111 ARG QD . . 4.180 4.006 3.209 4.305 0.125 17 0 "[ . 1 . 2]" 1
2442 1 109 ASP QB 1 111 ARG HE . . 5.370 4.649 3.112 5.464 0.094 4 0 "[ . 1 . 2]" 1
2443 1 109 ASP QB 1 111 ARG HG2 . . 4.770 2.662 2.014 3.729 . 0 0 "[ . 1 . 2]" 1
2444 1 109 ASP QB 1 111 ARG HG3 . . 4.940 2.775 2.048 3.685 . 0 0 "[ . 1 . 2]" 1
2445 1 110 GLY H 1 110 GLY QA . . 2.590 2.239 2.180 2.385 . 0 0 "[ . 1 . 2]" 1
2446 1 110 GLY H 1 111 ARG H . . 2.990 2.476 2.074 2.767 . 0 0 "[ . 1 . 2]" 1
2447 1 110 GLY QA 1 111 ARG H . . 3.230 2.919 2.728 3.072 . 0 0 "[ . 1 . 2]" 1
2448 1 110 GLY QA 1 112 ARG H . . 3.750 3.545 3.298 3.838 0.088 10 0 "[ . 1 . 2]" 1
2449 1 111 ARG H 1 111 ARG HB2 . . 3.150 2.381 2.263 2.506 . 0 0 "[ . 1 . 2]" 1
2450 1 111 ARG H 1 111 ARG HB3 . . 3.520 3.575 3.537 3.601 0.081 17 0 "[ . 1 . 2]" 1
2451 1 111 ARG H 1 111 ARG QD . . 5.090 4.005 3.369 4.359 . 0 0 "[ . 1 . 2]" 1
2452 1 111 ARG H 1 111 ARG HG2 . . 3.600 2.539 2.215 2.904 . 0 0 "[ . 1 . 2]" 1
2453 1 111 ARG H 1 111 ARG HG3 . . 4.340 3.494 2.587 3.981 . 0 0 "[ . 1 . 2]" 1
2454 1 111 ARG H 1 112 ARG H . . 3.440 3.323 2.881 3.512 0.072 7 0 "[ . 1 . 2]" 1
2455 1 111 ARG HA 1 111 ARG QD . . 4.430 2.503 1.964 3.667 . 0 0 "[ . 1 . 2]" 1
2456 1 111 ARG HA 1 111 ARG HG2 . . 3.460 2.895 2.449 3.216 . 0 0 "[ . 1 . 2]" 1
2457 1 111 ARG HA 1 111 ARG HG3 . . 4.040 3.785 3.585 3.910 . 0 0 "[ . 1 . 2]" 1
2458 1 111 ARG HA 1 112 ARG H . . 2.910 2.713 2.545 2.977 0.067 12 0 "[ . 1 . 2]" 1
2459 1 111 ARG HA 1 113 SER H . . 5.390 4.259 3.061 5.468 0.078 4 0 "[ . 1 . 2]" 1
2460 1 111 ARG HA 1 113 SER QB . . 4.570 4.045 3.514 4.547 . 0 0 "[ . 1 . 2]" 1
2461 1 111 ARG HB2 1 111 ARG HE . . 5.270 4.177 3.138 5.050 . 0 0 "[ . 1 . 2]" 1
2462 1 111 ARG HB2 1 111 ARG HG3 . . 2.400 2.338 2.171 2.444 0.044 2 0 "[ . 1 . 2]" 1
2463 1 111 ARG HB3 1 111 ARG HE . . 5.270 3.426 2.389 4.478 . 0 0 "[ . 1 . 2]" 1
2464 1 111 ARG HB3 1 111 ARG HG3 . . 2.870 2.598 2.472 2.936 0.066 13 0 "[ . 1 . 2]" 1
2465 1 112 ARG H 1 112 ARG HB2 . . 3.100 2.267 1.916 3.518 0.418 20 0 "[ . 1 . 2]" 1
2466 1 112 ARG H 1 112 ARG HB3 . . 3.500 3.374 2.740 3.571 0.071 12 0 "[ . 1 . 2]" 1
2467 1 112 ARG H 1 112 ARG QD . . 5.130 3.660 1.770 4.702 . 0 0 "[ . 1 . 2]" 1
2468 1 112 ARG H 1 112 ARG QG . . 3.750 2.979 1.864 3.579 . 0 0 "[ . 1 . 2]" 1
2469 1 112 ARG HA 1 112 ARG QD . . 4.020 3.182 2.149 4.096 0.076 20 0 "[ . 1 . 2]" 1
2470 1 112 ARG HA 1 112 ARG QG . . 3.790 2.320 2.026 3.410 . 0 0 "[ . 1 . 2]" 1
2471 1 112 ARG HA 1 113 SER H . . 2.920 2.461 2.005 2.966 0.046 19 0 "[ . 1 . 2]" 1
2472 1 112 ARG HA 1 114 SER H . . 5.140 4.450 3.567 5.224 0.084 8 0 "[ . 1 . 2]" 1
2473 1 112 ARG HB2 1 112 ARG QD . . 3.880 2.813 2.156 3.504 . 0 0 "[ . 1 . 2]" 1
2474 1 112 ARG HB2 1 113 SER H . . 4.700 4.302 3.900 4.619 . 0 0 "[ . 1 . 2]" 1
2475 1 112 ARG HB3 1 113 SER H . . 3.910 3.963 3.691 4.279 0.369 20 0 "[ . 1 . 2]" 1
2476 1 112 ARG QD 1 113 SER H . . 5.500 4.950 3.676 5.581 0.081 6 0 "[ . 1 . 2]" 1
2477 1 112 ARG QG 1 113 SER H . . 4.770 4.367 3.623 4.614 . 0 0 "[ . 1 . 2]" 1
2478 1 113 SER H 1 113 SER QB . . 3.600 2.532 2.042 3.267 . 0 0 "[ . 1 . 2]" 1
2479 1 113 SER H 1 114 SER H . . 3.910 3.486 2.223 3.995 0.085 6 0 "[ . 1 . 2]" 1
2480 1 113 SER HA 1 114 SER H . . 3.160 2.394 2.071 3.067 . 0 0 "[ . 1 . 2]" 1
2481 1 113 SER QB 1 114 SER H . . 4.610 3.902 3.567 4.063 . 0 0 "[ . 1 . 2]" 1
2482 1 114 SER H 1 114 SER QB . . 3.770 2.771 2.144 3.464 . 0 0 "[ . 1 . 2]" 1
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