NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406958 |
1xyj   |
6377 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xyj
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 1293
_Distance_constraint_stats_list.Viol_count 3244
_Distance_constraint_stats_list.Viol_total 5530.054
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0432
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0107
_Distance_constraint_stats_list.Viol_average_violations_only 0.0852
_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 VAL 2.968 0.337 6 0 "[ . 1 . 2]"
1 2 VAL 4.543 0.111 9 0 "[ . 1 . 2]"
1 3 GLY 1.558 0.088 4 0 "[ . 1 . 2]"
1 4 GLY 1.077 0.111 9 0 "[ . 1 . 2]"
1 5 LEU 7.581 0.614 10 1 "[ . + . 2]"
1 6 GLY 3.466 0.383 18 0 "[ . 1 . 2]"
1 7 GLY 0.997 0.409 10 0 "[ . 1 . 2]"
1 8 TYR 11.574 0.764 18 2 "[ . - . + 2]"
1 9 MET 4.878 0.108 8 0 "[ . 1 . 2]"
1 10 LEU 4.887 0.108 2 0 "[ . 1 . 2]"
1 11 GLY 1.739 0.752 6 1 "[ .+ 1 . 2]"
1 12 SER 5.216 0.648 18 2 "[ . - 1 . + 2]"
1 13 ALA 7.385 0.709 14 3 "[ . - 1 +. * 2]"
1 14 MET 13.694 0.791 12 9 "[** . -* 1 +* * ** 2]"
1 15 SER 9.059 0.791 12 9 "[** . -* 1 +* * ** 2]"
1 16 ARG 2.580 0.561 13 1 "[ . 1 + . 2]"
1 17 PRO 2.434 0.118 7 0 "[ . 1 . 2]"
1 18 LEU 4.210 0.208 18 0 "[ . 1 . 2]"
1 19 ILE 10.303 0.449 1 0 "[ . 1 . 2]"
1 20 HIS 4.875 0.414 16 0 "[ . 1 . 2]"
1 21 PHE 11.732 0.119 15 0 "[ . 1 . 2]"
1 22 GLY 0.926 0.271 5 0 "[ . 1 . 2]"
1 23 ASN 3.168 0.134 14 0 "[ . 1 . 2]"
1 24 ASP 4.212 0.925 14 2 "[- . 1 +. 2]"
1 25 TYR 3.907 0.101 7 0 "[ . 1 . 2]"
1 26 GLU 2.894 0.134 14 0 "[ . 1 . 2]"
1 27 ASP 4.710 0.925 14 2 "[- . 1 +. 2]"
1 28 ARG 12.060 0.596 14 3 "[ .- * +. 2]"
1 29 TYR 7.034 0.494 17 0 "[ . 1 . 2]"
1 30 TYR 9.844 0.123 10 0 "[ . 1 . 2]"
1 31 ARG 5.946 0.391 10 0 "[ . 1 . 2]"
1 32 GLU 5.501 0.455 1 0 "[ . 1 . 2]"
1 33 ASN 1.992 0.494 17 0 "[ . 1 . 2]"
1 34 MET 9.701 0.561 13 1 "[ . 1 + . 2]"
1 35 TYR 4.880 0.110 11 0 "[ . 1 . 2]"
1 36 ARG 4.406 0.127 7 0 "[ . 1 . 2]"
1 37 TYR 3.568 0.131 7 0 "[ . 1 . 2]"
1 38 PRO 3.917 0.186 12 0 "[ . 1 . 2]"
1 39 ASN 3.037 0.722 14 4 "[ * . *- 1 +. 2]"
1 40 GLN 6.204 0.709 14 1 "[ . 1 +. 2]"
1 41 VAL 3.962 0.752 6 1 "[ .+ 1 . 2]"
1 42 TYR 3.612 0.621 16 2 "[ . 1 .+ -2]"
1 43 TYR 1.355 0.101 8 0 "[ . 1 . 2]"
1 44 ARG 2.595 0.764 18 1 "[ . 1 . + 2]"
1 45 PRO 0.580 0.088 7 0 "[ . 1 . 2]"
1 46 VAL 1.295 0.111 18 0 "[ . 1 . 2]"
1 47 ASP 0.148 0.037 16 0 "[ . 1 . 2]"
1 49 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ASN 0.100 0.054 20 0 "[ . 1 . 2]"
1 52 GLN 1.595 0.440 5 0 "[ . 1 . 2]"
1 53 ASN 1.796 0.516 13 1 "[ . 1 + . 2]"
1 54 ASN 1.209 0.516 13 1 "[ . 1 + . 2]"
1 55 PHE 0.952 0.103 17 0 "[ . 1 . 2]"
1 56 VAL 1.492 0.100 20 0 "[ . 1 . 2]"
1 57 HIS 2.969 0.098 16 0 "[ . 1 . 2]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 CYS 2.374 0.092 2 0 "[ . 1 . 2]"
1 60 VAL 3.039 0.097 20 0 "[ . 1 . 2]"
1 61 ASN 10.917 0.370 5 0 "[ . 1 . 2]"
1 62 ILE 15.289 0.975 7 5 "[ . + 1 -* . **2]"
1 63 THR 2.114 0.118 12 0 "[ . 1 . 2]"
1 64 VAL 7.883 0.116 19 0 "[ . 1 . 2]"
1 65 ARG 9.413 0.975 7 5 "[ . + 1 -* . **2]"
1 66 GLN 6.250 0.645 9 4 "[ -. +1 .* *2]"
1 67 HIS 4.775 0.645 9 2 "[ -. +1 . 2]"
1 68 THR 5.820 0.262 16 0 "[ . 1 . 2]"
1 69 VAL 3.151 0.103 1 0 "[ . 1 . 2]"
1 70 THR 3.503 0.099 15 0 "[ . 1 . 2]"
1 71 THR 6.783 0.103 18 0 "[ . 1 . 2]"
1 72 THR 5.233 0.117 17 0 "[ . 1 . 2]"
1 73 THR 1.618 0.120 14 0 "[ . 1 . 2]"
1 74 LYS 3.803 0.120 14 0 "[ . 1 . 2]"
1 75 GLY 0.902 0.086 19 0 "[ . 1 . 2]"
1 76 GLU 3.465 0.665 17 1 "[ . 1 . + 2]"
1 77 ASN 5.698 0.665 17 1 "[ . 1 . + 2]"
1 78 PHE 9.870 0.120 6 0 "[ . 1 . 2]"
1 79 THR 5.257 0.104 18 0 "[ . 1 . 2]"
1 80 GLU 4.289 0.341 9 0 "[ . 1 . 2]"
1 81 THR 3.926 0.341 9 0 "[ . 1 . 2]"
1 82 ASP 1.792 0.107 7 0 "[ . 1 . 2]"
1 83 MET 6.779 0.130 6 0 "[ . 1 . 2]"
1 84 LYS 4.320 0.311 13 0 "[ . 1 . 2]"
1 85 ILE 8.921 0.120 3 0 "[ . 1 . 2]"
1 86 MET 4.224 0.390 10 0 "[ . 1 . 2]"
1 87 GLU 2.570 0.432 14 0 "[ . 1 . 2]"
1 88 ARG 9.133 0.258 2 0 "[ . 1 . 2]"
1 89 VAL 5.644 0.300 17 0 "[ . 1 . 2]"
1 90 VAL 6.436 0.186 12 0 "[ . 1 . 2]"
1 91 GLU 0.404 0.071 13 0 "[ . 1 . 2]"
1 92 GLN 3.758 0.526 17 1 "[ . 1 . + 2]"
1 93 MET 3.635 0.119 9 0 "[ . 1 . 2]"
1 94 CYS 4.184 0.128 1 0 "[ . 1 . 2]"
1 95 VAL 4.675 0.119 9 0 "[ . 1 . 2]"
1 96 THR 10.806 0.846 10 1 "[ . + . 2]"
1 97 GLN 3.225 0.490 8 0 "[ . 1 . 2]"
1 98 TYR 3.079 0.356 19 0 "[ . 1 . 2]"
1 99 GLN 4.415 0.846 10 1 "[ . + . 2]"
1 100 LYS 2.456 0.127 8 0 "[ . 1 . 2]"
1 101 GLU 2.796 0.490 8 0 "[ . 1 . 2]"
1 102 SER 0.839 0.080 10 0 "[ . 1 . 2]"
1 103 GLU 6.147 0.513 4 1 "[ +. 1 . 2]"
1 104 ALA 0.930 0.080 20 0 "[ . 1 . 2]"
1 105 TYR 3.987 0.491 14 0 "[ . 1 . 2]"
1 106 TYR 3.799 0.513 4 1 "[ +. 1 . 2]"
1 107 GLN 7.898 0.900 18 6 "[ . ** *-. +*2]"
1 108 ARG 10.162 0.717 3 4 "[ + . 1 *-. *2]"
1 109 ARG 5.522 0.491 14 0 "[ . 1 . 2]"
1 110 ALA 1.185 0.096 3 0 "[ . 1 . 2]"
1 111 SER 0.564 0.082 6 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 VAL H1 1 1 VAL MG2 . . 3.680 2.651 1.947 4.017 0.337 6 0 "[ . 1 . 2]" 1
2 1 1 VAL H1 1 2 VAL H . . 3.010 2.579 2.059 3.053 0.043 18 0 "[ . 1 . 2]" 1
3 1 1 VAL H1 1 2 VAL HB . . 3.380 3.355 2.806 3.466 0.086 8 0 "[ . 1 . 2]" 1
4 1 1 VAL HA 1 1 VAL MG1 . . 3.570 2.488 2.190 3.305 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HA 1 1 VAL MG2 . . 3.430 3.003 2.063 3.279 . 0 0 "[ . 1 . 2]" 1
6 1 1 VAL HA 1 2 VAL H . . 2.750 2.761 2.565 2.835 0.085 19 0 "[ . 1 . 2]" 1
7 1 2 VAL H 1 2 VAL HB . . 3.160 3.076 2.607 3.226 0.066 9 0 "[ . 1 . 2]" 1
8 1 2 VAL H 1 2 VAL MG1 . . 3.530 2.455 2.042 2.860 . 0 0 "[ . 1 . 2]" 1
9 1 2 VAL H 1 3 GLY H . . 4.140 4.115 3.587 4.228 0.088 4 0 "[ . 1 . 2]" 1
10 1 2 VAL HA 1 2 VAL MG2 . . 3.190 2.268 2.098 2.388 . 0 0 "[ . 1 . 2]" 1
11 1 2 VAL HA 1 3 GLY H . . 2.820 2.281 2.114 2.902 0.082 11 0 "[ . 1 . 2]" 1
12 1 2 VAL HA 1 4 GLY H . . 4.810 4.233 3.489 4.893 0.083 3 0 "[ . 1 . 2]" 1
13 1 2 VAL HA 1 5 LEU QD . . 4.580 3.752 2.696 4.537 . 0 0 "[ . 1 . 2]" 1
14 1 2 VAL HB 1 3 GLY H . . 4.380 4.188 3.633 4.454 0.074 2 0 "[ . 1 . 2]" 1
15 1 2 VAL HB 1 5 LEU QD . . 4.880 4.293 3.807 4.811 . 0 0 "[ . 1 . 2]" 1
16 1 2 VAL MG2 1 3 GLY H . . 4.100 2.642 1.674 3.670 . 0 0 "[ . 1 . 2]" 1
17 1 2 VAL MG2 1 3 GLY QA . . 4.340 3.888 3.272 4.416 0.076 2 0 "[ . 1 . 2]" 1
18 1 2 VAL MG2 1 4 GLY H . . 5.180 3.055 1.891 4.029 . 0 0 "[ . 1 . 2]" 1
19 1 2 VAL MG2 1 4 GLY QA . . 4.550 4.103 3.130 4.661 0.111 9 0 "[ . 1 . 2]" 1
20 1 2 VAL MG2 1 5 LEU H . . 5.320 2.950 1.876 4.976 . 0 0 "[ . 1 . 2]" 1
21 1 2 VAL MG2 1 5 LEU HB2 . . 4.720 3.440 2.047 4.594 . 0 0 "[ . 1 . 2]" 1
22 1 2 VAL MG2 1 5 LEU HB3 . . 4.580 4.035 3.084 4.661 0.081 15 0 "[ . 1 . 2]" 1
23 1 2 VAL MG2 1 5 LEU QD . . 4.770 2.367 1.931 3.358 . 0 0 "[ . 1 . 2]" 1
24 1 3 GLY H 1 4 GLY H . . 3.830 2.765 1.723 3.545 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLY H 1 4 GLY QA . . 2.620 2.373 2.150 2.525 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLY H 1 5 LEU HA . . 5.060 4.844 4.384 5.147 0.087 2 0 "[ . 1 . 2]" 1
27 1 4 GLY QA 1 5 LEU H . . 3.000 2.592 2.087 2.975 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLY QA 1 5 LEU HA . . 4.380 4.052 3.864 4.194 . 0 0 "[ . 1 . 2]" 1
29 1 5 LEU H 1 5 LEU HB2 . . 3.690 3.404 2.551 3.794 0.104 13 0 "[ . 1 . 2]" 1
30 1 5 LEU H 1 5 LEU QD . . 4.810 2.787 1.931 3.684 . 0 0 "[ . 1 . 2]" 1
31 1 5 LEU H 1 5 LEU HG . . 3.210 2.797 2.179 3.278 0.068 10 0 "[ . 1 . 2]" 1
32 1 5 LEU H 1 6 GLY H . . 3.360 2.829 1.774 3.436 0.076 14 0 "[ . 1 . 2]" 1
33 1 5 LEU H 1 6 GLY HA3 . . 5.170 4.888 4.269 5.347 0.177 10 0 "[ . 1 . 2]" 1
34 1 5 LEU HA 1 5 LEU QD . . 3.210 2.908 2.126 3.191 . 0 0 "[ . 1 . 2]" 1
35 1 5 LEU HA 1 5 LEU HG . . 3.980 3.229 2.224 3.659 . 0 0 "[ . 1 . 2]" 1
36 1 5 LEU HA 1 6 GLY H . . 3.160 2.749 2.069 3.243 0.083 9 0 "[ . 1 . 2]" 1
37 1 5 LEU HA 1 7 GLY H . . 4.900 4.068 2.927 4.958 0.058 5 0 "[ . 1 . 2]" 1
38 1 5 LEU HA 1 8 TYR QD . . 4.040 2.806 1.960 4.142 0.102 3 0 "[ . 1 . 2]" 1
39 1 5 LEU HB2 1 6 GLY H . . 4.310 4.220 3.452 4.693 0.383 18 0 "[ . 1 . 2]" 1
40 1 5 LEU HB2 1 7 GLY H . . 5.110 4.108 2.718 5.519 0.409 10 0 "[ . 1 . 2]" 1
41 1 5 LEU HB2 1 8 TYR H . . 5.160 3.323 2.471 4.481 . 0 0 "[ . 1 . 2]" 1
42 1 5 LEU HB2 1 8 TYR HB2 . . 4.200 2.835 2.042 4.814 0.614 10 1 "[ . + . 2]" 1
43 1 5 LEU HB2 1 8 TYR QD . . 4.190 3.303 2.300 4.262 0.072 19 0 "[ . 1 . 2]" 1
44 1 5 LEU HB3 1 8 TYR QD . . 4.260 2.989 2.114 4.213 . 0 0 "[ . 1 . 2]" 1
45 1 5 LEU QD 1 6 GLY H . . 5.330 4.364 3.755 4.574 . 0 0 "[ . 1 . 2]" 1
46 1 5 LEU QD 1 8 TYR QD . . 4.670 3.405 2.607 4.298 . 0 0 "[ . 1 . 2]" 1
47 1 5 LEU QD 1 62 ILE HG13 . . 4.020 3.367 2.058 4.076 0.056 8 0 "[ . 1 . 2]" 1
48 1 5 LEU QD 1 62 ILE MG . . 4.600 2.751 1.927 4.548 . 0 0 "[ . 1 . 2]" 1
49 1 5 LEU QD 1 66 GLN HB3 . . 4.490 3.823 3.184 4.211 . 0 0 "[ . 1 . 2]" 1
50 1 5 LEU QD 1 66 GLN HE21 . . 5.290 3.093 1.894 4.407 . 0 0 "[ . 1 . 2]" 1
51 1 5 LEU QD 1 66 GLN HE22 . . 5.500 3.529 2.103 5.056 . 0 0 "[ . 1 . 2]" 1
52 1 5 LEU QD 1 66 GLN HG2 . . 4.760 2.554 2.118 3.729 . 0 0 "[ . 1 . 2]" 1
53 1 5 LEU QD 1 66 GLN HG3 . . 4.660 2.781 1.933 4.406 . 0 0 "[ . 1 . 2]" 1
54 1 5 LEU HG 1 6 GLY H . . 4.650 4.404 3.084 4.737 0.087 2 0 "[ . 1 . 2]" 1
55 1 5 LEU HG 1 8 TYR H . . 5.020 4.932 4.492 5.111 0.091 8 0 "[ . 1 . 2]" 1
56 1 5 LEU HG 1 8 TYR HB2 . . 4.560 4.333 3.533 4.647 0.087 16 0 "[ . 1 . 2]" 1
57 1 6 GLY H 1 7 GLY H . . 3.970 3.279 2.471 4.039 0.069 5 0 "[ . 1 . 2]" 1
58 1 6 GLY H 1 8 TYR H . . 4.890 4.453 3.866 4.936 0.046 10 0 "[ . 1 . 2]" 1
59 1 7 GLY H 1 7 GLY HA3 . . 2.930 2.836 2.506 2.991 0.061 20 0 "[ . 1 . 2]" 1
60 1 7 GLY H 1 8 TYR H . . 3.430 2.276 1.706 3.205 . 0 0 "[ . 1 . 2]" 1
61 1 8 TYR H 1 8 TYR HB2 . . 3.360 2.294 1.950 2.627 . 0 0 "[ . 1 . 2]" 1
62 1 8 TYR H 1 8 TYR HB3 . . 4.010 3.512 3.073 3.758 . 0 0 "[ . 1 . 2]" 1
63 1 8 TYR H 1 8 TYR QD . . 3.730 3.128 2.430 3.809 0.079 19 0 "[ . 1 . 2]" 1
64 1 8 TYR H 1 9 MET H . . 4.830 4.522 4.258 4.621 . 0 0 "[ . 1 . 2]" 1
65 1 8 TYR HA 1 8 TYR QD . . 3.750 2.724 2.127 3.166 . 0 0 "[ . 1 . 2]" 1
66 1 8 TYR HA 1 9 MET H . . 3.340 2.034 1.879 2.295 . 0 0 "[ . 1 . 2]" 1
67 1 8 TYR HA 1 9 MET HA . . 4.060 4.163 4.159 4.168 0.108 8 0 "[ . 1 . 2]" 1
68 1 8 TYR HA 1 9 MET QB . . 4.330 4.067 3.657 4.235 . 0 0 "[ . 1 . 2]" 1
69 1 8 TYR HA 1 44 ARG HA . . 4.060 3.698 3.305 4.142 0.082 13 0 "[ . 1 . 2]" 1
70 1 8 TYR HB2 1 9 MET H . . 4.580 4.178 3.592 4.534 . 0 0 "[ . 1 . 2]" 1
71 1 8 TYR HB2 1 62 ILE MD . . 4.750 4.808 4.437 4.863 0.113 2 0 "[ . 1 . 2]" 1
72 1 8 TYR HB3 1 9 MET H . . 4.170 3.037 2.252 3.671 . 0 0 "[ . 1 . 2]" 1
73 1 8 TYR QD 1 43 TYR H . . 4.860 3.454 2.431 4.286 . 0 0 "[ . 1 . 2]" 1
74 1 8 TYR QD 1 43 TYR HA . . 3.920 3.370 2.892 4.003 0.083 19 0 "[ . 1 . 2]" 1
75 1 8 TYR QD 1 62 ILE MD . . 4.710 3.655 3.234 4.308 . 0 0 "[ . 1 . 2]" 1
76 1 8 TYR QD 1 62 ILE HG12 . . 4.400 3.780 2.447 4.675 0.275 9 0 "[ . 1 . 2]" 1
77 1 8 TYR QD 1 62 ILE HG13 . . 4.590 3.408 2.363 4.306 . 0 0 "[ . 1 . 2]" 1
78 1 8 TYR QD 1 62 ILE MG . . 3.970 2.954 2.046 3.537 . 0 0 "[ . 1 . 2]" 1
79 1 8 TYR QE 1 43 TYR HA . . 4.100 3.625 2.598 4.195 0.095 8 0 "[ . 1 . 2]" 1
80 1 8 TYR QE 1 44 ARG HB2 . . 4.230 3.741 2.138 4.324 0.094 3 0 "[ . 1 . 2]" 1
81 1 8 TYR QE 1 44 ARG HD2 . . 4.750 3.982 2.304 5.514 0.764 18 1 "[ . 1 . + 2]" 1
82 1 8 TYR QE 1 44 ARG QG . . 4.440 2.670 2.222 3.532 . 0 0 "[ . 1 . 2]" 1
83 1 8 TYR QE 1 62 ILE HB . . 4.220 3.901 3.098 4.315 0.095 7 0 "[ . 1 . 2]" 1
84 1 8 TYR QE 1 62 ILE MD . . 4.250 3.268 2.114 4.265 0.015 18 0 "[ . 1 . 2]" 1
85 1 8 TYR QE 1 62 ILE HG12 . . 4.190 3.159 2.369 4.074 . 0 0 "[ . 1 . 2]" 1
86 1 8 TYR QE 1 62 ILE HG13 . . 4.160 3.296 2.224 4.284 0.124 20 0 "[ . 1 . 2]" 1
87 1 8 TYR QE 1 62 ILE MG . . 3.950 3.436 2.455 3.966 0.016 9 0 "[ . 1 . 2]" 1
88 1 9 MET H 1 9 MET QG . . 4.100 2.913 2.105 3.934 . 0 0 "[ . 1 . 2]" 1
89 1 9 MET H 1 42 TYR HA . . 5.120 4.926 4.490 5.181 0.061 5 0 "[ . 1 . 2]" 1
90 1 9 MET H 1 43 TYR H . . 3.800 3.329 2.804 3.743 . 0 0 "[ . 1 . 2]" 1
91 1 9 MET H 1 44 ARG HA . . 4.680 3.298 2.891 3.896 . 0 0 "[ . 1 . 2]" 1
92 1 9 MET HA 1 9 MET ME . . 4.600 4.229 3.823 4.573 . 0 0 "[ . 1 . 2]" 1
93 1 9 MET HA 1 9 MET QG . . 3.420 2.596 2.134 3.361 . 0 0 "[ . 1 . 2]" 1
94 1 9 MET HA 1 10 LEU H . . 2.980 2.429 2.280 2.642 . 0 0 "[ . 1 . 2]" 1
95 1 9 MET HA 1 10 LEU HA . . 4.130 4.235 4.231 4.238 0.108 2 0 "[ . 1 . 2]" 1
96 1 9 MET HA 1 10 LEU HB3 . . 4.280 4.080 3.846 4.352 0.072 19 0 "[ . 1 . 2]" 1
97 1 9 MET HA 1 10 LEU QD . . 5.500 3.691 3.151 4.741 . 0 0 "[ . 1 . 2]" 1
98 1 9 MET QB 1 9 MET ME . . 3.640 2.153 2.015 2.382 . 0 0 "[ . 1 . 2]" 1
99 1 9 MET QB 1 10 LEU H . . 3.140 2.383 2.027 2.915 . 0 0 "[ . 1 . 2]" 1
100 1 9 MET QB 1 10 LEU HA . . 4.380 3.843 3.467 4.181 . 0 0 "[ . 1 . 2]" 1
101 1 9 MET QB 1 43 TYR QE . . 4.340 3.311 2.386 4.242 . 0 0 "[ . 1 . 2]" 1
102 1 9 MET ME 1 43 TYR QE . . 4.430 3.447 2.064 4.531 0.101 8 0 "[ . 1 . 2]" 1
103 1 9 MET ME 1 45 PRO HA . . 4.350 3.642 2.291 4.432 0.082 1 0 "[ . 1 . 2]" 1
104 1 9 MET ME 1 45 PRO HD3 . . 4.670 3.554 2.142 4.755 0.085 14 0 "[ . 1 . 2]" 1
105 1 9 MET QG 1 10 LEU H . . 4.650 3.478 2.580 4.517 . 0 0 "[ . 1 . 2]" 1
106 1 10 LEU H 1 10 LEU HB3 . . 3.450 3.194 2.871 3.473 0.023 19 0 "[ . 1 . 2]" 1
107 1 10 LEU H 1 10 LEU QD . . 4.990 2.619 2.066 3.405 . 0 0 "[ . 1 . 2]" 1
108 1 10 LEU H 1 10 LEU HG . . 4.680 3.648 2.742 4.505 . 0 0 "[ . 1 . 2]" 1
109 1 10 LEU H 1 11 GLY H . . 4.840 4.373 3.771 4.528 . 0 0 "[ . 1 . 2]" 1
110 1 10 LEU H 1 42 TYR QD . . 5.280 4.651 4.183 5.226 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU HA 1 10 LEU QD . . 3.520 3.324 3.211 3.391 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU HA 1 11 GLY H . . 3.240 2.446 1.978 2.796 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU HA 1 42 TYR H . . 5.100 4.693 4.523 4.918 . 0 0 "[ . 1 . 2]" 1
114 1 10 LEU HA 1 42 TYR HA . . 3.360 2.262 1.926 2.903 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU HA 1 42 TYR QD . . 4.580 3.800 3.421 4.088 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU HA 1 43 TYR H . . 4.630 2.960 2.334 3.355 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU HA 1 43 TYR QE . . 3.560 3.222 2.563 3.650 0.090 7 0 "[ . 1 . 2]" 1
118 1 10 LEU HB2 1 41 VAL HA . . 4.310 4.274 3.709 4.406 0.096 14 0 "[ . 1 . 2]" 1
119 1 10 LEU HB2 1 41 VAL QG . . 4.380 4.201 3.953 4.337 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU HB2 1 42 TYR QE . . 4.210 4.146 3.359 4.302 0.092 15 0 "[ . 1 . 2]" 1
121 1 10 LEU HB3 1 42 TYR HA . . 4.300 2.750 2.405 3.330 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HB3 1 42 TYR QD . . 4.510 2.525 2.181 3.166 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HB3 1 42 TYR QE . . 3.430 3.055 2.785 3.497 0.067 7 0 "[ . 1 . 2]" 1
124 1 10 LEU QD 1 11 GLY H . . 4.300 3.300 2.300 4.165 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU QD 1 40 GLN HB2 . . 4.000 2.283 2.056 2.927 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU QD 1 40 GLN HB3 . . 4.430 2.464 1.927 3.229 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU QD 1 40 GLN HE21 . . 5.090 3.038 2.308 4.817 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU QD 1 40 GLN HE22 . . 4.740 3.112 2.261 4.228 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU QD 1 40 GLN QG . . 4.740 3.241 2.529 3.744 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU QD 1 41 VAL H . . 5.480 3.577 2.971 4.542 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU QD 1 42 TYR HA . . 4.360 3.844 3.628 4.057 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU QD 1 42 TYR QD . . 4.990 3.299 2.881 3.575 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU QD 1 42 TYR QE . . 3.860 2.566 2.068 2.988 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU HG 1 11 GLY H . . 5.150 3.522 2.564 5.022 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU HG 1 40 GLN HE21 . . 5.000 3.653 2.294 5.080 0.080 4 0 "[ . 1 . 2]" 1
136 1 10 LEU HG 1 40 GLN HE22 . . 4.890 4.100 2.768 4.932 0.042 17 0 "[ . 1 . 2]" 1
137 1 11 GLY H 1 12 SER H . . 4.850 4.309 2.212 4.759 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLY H 1 41 VAL H . . 4.810 2.809 2.508 3.235 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLY H 1 41 VAL HB . . 5.060 4.994 3.803 5.157 0.097 10 0 "[ . 1 . 2]" 1
140 1 11 GLY H 1 42 TYR HA . . 4.880 3.896 3.541 4.936 0.056 14 0 "[ . 1 . 2]" 1
141 1 11 GLY HA3 1 12 SER H . . 3.640 2.712 2.138 3.596 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLY HA3 1 41 VAL H . . 4.820 3.748 2.753 5.572 0.752 6 1 "[ .+ 1 . 2]" 1
143 1 12 SER H 1 12 SER HB2 . . 3.690 2.768 2.163 3.540 . 0 0 "[ . 1 . 2]" 1
144 1 12 SER H 1 12 SER HB3 . . 3.390 3.362 2.633 3.760 0.370 19 0 "[ . 1 . 2]" 1
145 1 12 SER H 1 13 ALA H . . 4.800 3.102 1.837 4.482 . 0 0 "[ . 1 . 2]" 1
146 1 12 SER H 1 13 ALA MB . . 5.500 5.014 4.292 5.587 0.087 20 0 "[ . 1 . 2]" 1
147 1 12 SER HA 1 40 GLN HE21 . . 4.400 2.856 2.137 4.473 0.073 18 0 "[ . 1 . 2]" 1
148 1 12 SER HA 1 40 GLN HE22 . . 4.530 3.522 2.614 4.618 0.088 10 0 "[ . 1 . 2]" 1
149 1 12 SER HA 1 40 GLN QG . . 4.470 3.407 2.783 4.451 . 0 0 "[ . 1 . 2]" 1
150 1 12 SER HB2 1 13 ALA H . . 3.650 3.196 2.723 3.765 0.115 17 0 "[ . 1 . 2]" 1
151 1 12 SER HB2 1 13 ALA MB . . 4.550 4.101 3.192 5.198 0.648 18 2 "[ . - 1 . + 2]" 1
152 1 12 SER HB3 1 13 ALA H . . 3.690 3.632 2.438 3.784 0.094 1 0 "[ . 1 . 2]" 1
153 1 13 ALA H 1 13 ALA HA . . 2.770 2.605 2.238 2.850 0.080 18 0 "[ . 1 . 2]" 1
154 1 13 ALA H 1 13 ALA MB . . 3.160 2.835 2.166 3.203 0.043 12 0 "[ . 1 . 2]" 1
155 1 13 ALA H 1 14 MET H . . 3.760 3.444 2.331 3.847 0.087 7 0 "[ . 1 . 2]" 1
156 1 13 ALA H 1 40 GLN HB3 . . 4.980 4.528 3.406 5.075 0.095 10 0 "[ . 1 . 2]" 1
157 1 13 ALA H 1 40 GLN HE21 . . 4.610 3.564 2.567 4.561 . 0 0 "[ . 1 . 2]" 1
158 1 13 ALA H 1 40 GLN HE22 . . 4.860 4.512 2.547 4.954 0.094 2 0 "[ . 1 . 2]" 1
159 1 13 ALA H 1 40 GLN QG . . 4.900 2.572 1.909 3.569 . 0 0 "[ . 1 . 2]" 1
160 1 13 ALA HA 1 14 MET H . . 2.930 2.273 2.073 2.472 . 0 0 "[ . 1 . 2]" 1
161 1 13 ALA HA 1 14 MET QG . . 4.370 4.022 3.648 4.322 . 0 0 "[ . 1 . 2]" 1
162 1 13 ALA HA 1 40 GLN HA . . 3.870 3.608 2.622 3.943 0.073 10 0 "[ . 1 . 2]" 1
163 1 13 ALA HA 1 40 GLN HB3 . . 4.490 4.620 4.483 5.199 0.709 14 1 "[ . 1 +. 2]" 1
164 1 13 ALA HA 1 40 GLN QG . . 3.670 2.127 1.903 2.636 . 0 0 "[ . 1 . 2]" 1
165 1 13 ALA MB 1 14 MET H . . 3.980 3.551 3.118 3.752 . 0 0 "[ . 1 . 2]" 1
166 1 13 ALA MB 1 14 MET HA . . 4.610 4.203 3.660 4.450 . 0 0 "[ . 1 . 2]" 1
167 1 13 ALA MB 1 40 GLN HE21 . . 5.500 4.421 2.029 5.269 . 0 0 "[ . 1 . 2]" 1
168 1 13 ALA MB 1 40 GLN HE22 . . 5.470 4.773 3.269 5.552 0.082 20 0 "[ . 1 . 2]" 1
169 1 13 ALA MB 1 40 GLN QG . . 4.420 3.368 2.683 3.739 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET H 1 14 MET HB3 . . 3.830 3.708 3.310 3.915 0.085 9 0 "[ . 1 . 2]" 1
171 1 14 MET H 1 14 MET QG . . 3.900 2.741 2.094 3.181 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET H 1 15 SER QB . . 4.410 3.928 3.456 4.367 . 0 0 "[ . 1 . 2]" 1
173 1 14 MET H 1 40 GLN QG . . 5.000 2.818 2.013 4.098 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET HA 1 14 MET ME . . 4.390 4.141 3.217 4.469 0.079 6 0 "[ . 1 . 2]" 1
175 1 14 MET HA 1 15 SER H . . 2.870 2.161 2.006 2.652 . 0 0 "[ . 1 . 2]" 1
176 1 14 MET HA 1 15 SER HA . . 4.310 4.385 4.366 4.406 0.096 5 0 "[ . 1 . 2]" 1
177 1 14 MET HB2 1 14 MET ME . . 3.280 2.567 2.036 3.368 0.088 14 0 "[ . 1 . 2]" 1
178 1 14 MET HB3 1 14 MET ME . . 3.870 2.753 2.008 3.391 . 0 0 "[ . 1 . 2]" 1
179 1 14 MET HB3 1 15 SER H . . 3.480 3.743 2.364 4.271 0.791 12 9 "[** . -* 1 +* * ** 2]" 1
180 1 14 MET ME 1 41 VAL QG . . 3.980 2.450 2.008 3.215 . 0 0 "[ . 1 . 2]" 1
181 1 14 MET ME 1 93 MET HA . . 3.790 2.940 2.350 3.438 . 0 0 "[ . 1 . 2]" 1
182 1 14 MET ME 1 93 MET QB . . 4.450 2.581 2.214 2.982 . 0 0 "[ . 1 . 2]" 1
183 1 14 MET ME 1 93 MET QG . . 4.960 4.037 3.460 4.458 . 0 0 "[ . 1 . 2]" 1
184 1 14 MET ME 1 95 VAL H . . 4.930 4.960 4.731 5.040 0.110 12 0 "[ . 1 . 2]" 1
185 1 14 MET ME 1 96 THR H . . 5.160 4.114 3.855 4.467 . 0 0 "[ . 1 . 2]" 1
186 1 14 MET ME 1 96 THR HA . . 4.870 4.905 4.682 4.985 0.115 14 0 "[ . 1 . 2]" 1
187 1 14 MET ME 1 96 THR HB . . 4.130 4.208 4.040 4.248 0.118 20 0 "[ . 1 . 2]" 1
188 1 14 MET ME 1 96 THR MG . . 3.340 1.858 1.781 1.964 . 0 0 "[ . 1 . 2]" 1
189 1 14 MET ME 1 97 GLN HA . . 3.840 3.601 2.999 3.830 . 0 0 "[ . 1 . 2]" 1
190 1 14 MET ME 1 97 GLN HG2 . . 4.640 3.015 2.093 3.884 . 0 0 "[ . 1 . 2]" 1
191 1 14 MET ME 1 100 LYS QE . . 4.800 3.666 2.782 4.676 . 0 0 "[ . 1 . 2]" 1
192 1 14 MET ME 1 100 LYS QG . . 4.310 4.075 3.757 4.289 . 0 0 "[ . 1 . 2]" 1
193 1 14 MET QG 1 15 SER H . . 5.140 4.517 4.154 4.827 . 0 0 "[ . 1 . 2]" 1
194 1 15 SER H 1 15 SER QB . . 3.210 2.893 2.520 3.130 . 0 0 "[ . 1 . 2]" 1
195 1 15 SER HA 1 16 ARG H . . 2.890 2.665 2.263 2.970 0.080 20 0 "[ . 1 . 2]" 1
196 1 15 SER QB 1 16 ARG H . . 3.950 2.489 1.862 3.346 . 0 0 "[ . 1 . 2]" 1
197 1 16 ARG H 1 16 ARG QB . . 3.400 2.800 2.057 3.441 0.041 11 0 "[ . 1 . 2]" 1
198 1 16 ARG H 1 16 ARG HD2 . . 5.310 4.456 2.994 5.385 0.075 6 0 "[ . 1 . 2]" 1
199 1 16 ARG H 1 16 ARG HD3 . . 5.290 4.136 2.072 5.368 0.078 17 0 "[ . 1 . 2]" 1
200 1 16 ARG HA 1 17 PRO HD2 . . 3.840 2.504 2.145 2.871 . 0 0 "[ . 1 . 2]" 1
201 1 16 ARG HA 1 17 PRO HD3 . . 3.600 2.631 2.146 3.031 . 0 0 "[ . 1 . 2]" 1
202 1 16 ARG HA 1 34 MET ME . . 4.440 2.650 1.977 3.619 . 0 0 "[ . 1 . 2]" 1
203 1 16 ARG HA 1 93 MET ME . . 4.570 4.026 2.904 4.651 0.081 7 0 "[ . 1 . 2]" 1
204 1 16 ARG QB 1 16 ARG HD3 . . 3.710 2.640 2.066 3.552 . 0 0 "[ . 1 . 2]" 1
205 1 16 ARG HD3 1 34 MET ME . . 4.330 3.837 1.993 4.891 0.561 13 1 "[ . 1 + . 2]" 1
206 1 16 ARG HE 1 34 MET ME . . 5.500 4.228 2.560 5.544 0.044 4 0 "[ . 1 . 2]" 1
207 1 16 ARG QG 1 34 MET ME . . 2.400 2.241 1.901 2.464 0.064 7 0 "[ . 1 . 2]" 1
208 1 17 PRO HA 1 18 LEU H . . 3.340 3.202 2.276 3.429 0.089 17 0 "[ . 1 . 2]" 1
209 1 17 PRO HB2 1 18 LEU H . . 4.170 3.177 2.330 4.112 . 0 0 "[ . 1 . 2]" 1
210 1 17 PRO HB2 1 19 ILE MD . . 4.460 3.946 3.073 4.557 0.097 11 0 "[ . 1 . 2]" 1
211 1 17 PRO HB3 1 18 LEU H . . 4.430 3.989 2.938 4.487 0.057 15 0 "[ . 1 . 2]" 1
212 1 17 PRO HD2 1 34 MET ME . . 3.460 3.311 2.341 3.578 0.118 7 0 "[ . 1 . 2]" 1
213 1 17 PRO HD2 1 89 VAL QG . . 4.140 2.440 2.055 3.549 . 0 0 "[ . 1 . 2]" 1
214 1 17 PRO HD2 1 93 MET ME . . 4.940 3.230 2.298 4.444 . 0 0 "[ . 1 . 2]" 1
215 1 17 PRO HD3 1 89 VAL QG . . 4.660 3.390 2.660 4.164 . 0 0 "[ . 1 . 2]" 1
216 1 17 PRO HD3 1 93 MET ME . . 4.580 2.586 2.024 3.700 . 0 0 "[ . 1 . 2]" 1
217 1 17 PRO QG 1 19 ILE MD . . 3.890 3.414 2.536 3.884 . 0 0 "[ . 1 . 2]" 1
218 1 17 PRO QG 1 89 VAL HA . . 4.230 3.665 3.110 4.204 . 0 0 "[ . 1 . 2]" 1
219 1 17 PRO QG 1 89 VAL QG . . 4.520 2.225 1.882 2.951 . 0 0 "[ . 1 . 2]" 1
220 1 17 PRO QG 1 93 MET QG . . 4.640 3.122 2.066 4.374 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU H 1 18 LEU HB2 . . 3.790 2.979 2.324 3.387 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU H 1 18 LEU HB3 . . 3.850 3.575 2.662 3.919 0.069 18 0 "[ . 1 . 2]" 1
223 1 18 LEU H 1 18 LEU QD . . 5.100 3.556 3.272 3.825 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU H 1 19 ILE H . . 4.680 3.778 3.112 4.494 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU H 1 19 ILE HG13 . . 4.790 3.969 3.190 4.998 0.208 18 0 "[ . 1 . 2]" 1
226 1 18 LEU H 1 34 MET ME . . 5.470 4.039 3.282 5.515 0.045 9 0 "[ . 1 . 2]" 1
227 1 18 LEU HA 1 18 LEU QD . . 3.240 2.054 1.981 2.267 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HA 1 19 ILE H . . 2.980 2.146 2.068 2.310 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HA 1 19 ILE HA . . 4.370 4.436 4.400 4.447 0.077 12 0 "[ . 1 . 2]" 1
230 1 18 LEU HA 1 34 MET ME . . 4.340 4.121 2.991 4.431 0.091 7 0 "[ . 1 . 2]" 1
231 1 18 LEU HB2 1 19 ILE H . . 4.830 4.425 4.175 4.662 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU QD 1 19 ILE HA . . 4.790 3.897 3.312 4.568 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU QD 1 21 PHE QE . . 4.410 4.271 3.925 4.452 0.042 3 0 "[ . 1 . 2]" 1
234 1 18 LEU QD 1 31 ARG HA . . 4.600 4.323 3.811 4.611 0.011 13 0 "[ . 1 . 2]" 1
235 1 18 LEU QD 1 31 ARG QG . . 4.500 3.024 2.500 3.394 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU QD 1 34 MET ME . . 3.570 3.453 2.487 3.659 0.089 13 0 "[ . 1 . 2]" 1
237 1 19 ILE H 1 19 ILE HB . . 3.560 2.456 2.184 2.845 . 0 0 "[ . 1 . 2]" 1
238 1 19 ILE H 1 19 ILE MD . . 5.190 3.780 1.949 4.433 . 0 0 "[ . 1 . 2]" 1
239 1 19 ILE H 1 19 ILE HG12 . . 4.040 3.693 2.623 4.128 0.088 7 0 "[ . 1 . 2]" 1
240 1 19 ILE H 1 19 ILE HG13 . . 4.070 2.738 1.897 4.109 0.039 18 0 "[ . 1 . 2]" 1
241 1 19 ILE H 1 19 ILE MG . . 4.650 3.808 3.707 3.922 . 0 0 "[ . 1 . 2]" 1
242 1 19 ILE H 1 20 HIS H . . 4.670 4.454 4.265 4.591 . 0 0 "[ . 1 . 2]" 1
243 1 19 ILE HA 1 19 ILE MD . . 3.910 3.743 2.150 3.992 0.082 9 0 "[ . 1 . 2]" 1
244 1 19 ILE HA 1 19 ILE HG12 . . 3.980 2.596 2.294 3.605 . 0 0 "[ . 1 . 2]" 1
245 1 19 ILE HA 1 19 ILE HG13 . . 4.100 3.051 2.512 3.831 . 0 0 "[ . 1 . 2]" 1
246 1 19 ILE HA 1 19 ILE MG . . 3.420 2.576 2.314 2.699 . 0 0 "[ . 1 . 2]" 1
247 1 19 ILE HA 1 20 HIS H . . 2.920 2.373 2.171 2.521 . 0 0 "[ . 1 . 2]" 1
248 1 19 ILE HA 1 20 HIS HA . . 4.360 4.398 4.237 4.437 0.077 7 0 "[ . 1 . 2]" 1
249 1 19 ILE HA 1 21 PHE H . . 5.060 4.711 4.379 5.127 0.067 1 0 "[ . 1 . 2]" 1
250 1 19 ILE HB 1 20 HIS H . . 4.180 3.704 2.988 4.054 . 0 0 "[ . 1 . 2]" 1
251 1 19 ILE HB 1 21 PHE QE . . 3.890 2.890 2.457 3.461 . 0 0 "[ . 1 . 2]" 1
252 1 19 ILE MD 1 19 ILE MG . . 3.550 2.079 1.982 3.062 . 0 0 "[ . 1 . 2]" 1
253 1 19 ILE MD 1 21 PHE QD . . 4.820 3.726 2.744 4.901 0.081 18 0 "[ . 1 . 2]" 1
254 1 19 ILE MD 1 21 PHE QE . . 4.150 2.380 2.005 4.109 . 0 0 "[ . 1 . 2]" 1
255 1 19 ILE MD 1 21 PHE HZ . . 4.490 3.394 3.027 4.545 0.055 18 0 "[ . 1 . 2]" 1
256 1 19 ILE MD 1 88 ARG HB3 . . 4.450 3.929 3.347 4.320 . 0 0 "[ . 1 . 2]" 1
257 1 19 ILE MD 1 88 ARG HG2 . . 4.790 4.238 3.722 4.807 0.017 14 0 "[ . 1 . 2]" 1
258 1 19 ILE MD 1 88 ARG HG3 . . 4.460 4.280 3.495 4.563 0.103 12 0 "[ . 1 . 2]" 1
259 1 19 ILE MD 1 89 VAL HA . . 3.510 1.972 1.882 2.075 . 0 0 "[ . 1 . 2]" 1
260 1 19 ILE MD 1 89 VAL HB . . 3.620 2.800 2.368 3.329 . 0 0 "[ . 1 . 2]" 1
261 1 19 ILE MD 1 89 VAL QG . . 4.690 2.100 1.876 2.422 . 0 0 "[ . 1 . 2]" 1
262 1 19 ILE MD 1 92 GLN QB . . 4.650 2.381 2.012 3.594 . 0 0 "[ . 1 . 2]" 1
263 1 19 ILE MD 1 92 GLN HG2 . . 4.580 2.866 2.060 4.286 . 0 0 "[ . 1 . 2]" 1
264 1 19 ILE MD 1 92 GLN HG3 . . 4.010 2.560 2.021 4.084 0.074 11 0 "[ . 1 . 2]" 1
265 1 19 ILE HG12 1 21 PHE QE . . 4.710 4.665 3.866 4.815 0.105 10 0 "[ . 1 . 2]" 1
266 1 19 ILE HG12 1 89 VAL HA . . 4.490 4.254 3.386 4.569 0.079 4 0 "[ . 1 . 2]" 1
267 1 19 ILE HG12 1 92 GLN HG3 . . 4.700 2.699 2.106 4.264 . 0 0 "[ . 1 . 2]" 1
268 1 19 ILE HG13 1 20 HIS H . . 4.780 4.865 4.424 5.194 0.414 16 0 "[ . 1 . 2]" 1
269 1 19 ILE HG13 1 21 PHE QE . . 4.540 4.060 3.170 4.625 0.085 12 0 "[ . 1 . 2]" 1
270 1 19 ILE MG 1 20 HIS H . . 3.950 2.123 1.806 2.517 . 0 0 "[ . 1 . 2]" 1
271 1 19 ILE MG 1 20 HIS HD2 . . 4.920 4.162 3.298 4.841 . 0 0 "[ . 1 . 2]" 1
272 1 19 ILE MG 1 21 PHE H . . 5.500 2.216 1.753 3.703 . 0 0 "[ . 1 . 2]" 1
273 1 19 ILE MG 1 21 PHE HA . . 4.510 3.671 2.769 4.614 0.104 11 0 "[ . 1 . 2]" 1
274 1 19 ILE MG 1 21 PHE QD . . 4.520 2.529 2.140 3.902 . 0 0 "[ . 1 . 2]" 1
275 1 19 ILE MG 1 21 PHE QE . . 4.220 2.976 2.358 3.989 . 0 0 "[ . 1 . 2]" 1
276 1 19 ILE MG 1 88 ARG HD2 . . 4.740 3.068 2.118 4.052 . 0 0 "[ . 1 . 2]" 1
277 1 19 ILE MG 1 88 ARG HD3 . . 4.540 3.040 2.561 3.873 . 0 0 "[ . 1 . 2]" 1
278 1 19 ILE MG 1 88 ARG HG2 . . 4.810 4.756 4.033 4.916 0.106 16 0 "[ . 1 . 2]" 1
279 1 19 ILE MG 1 88 ARG HG3 . . 4.580 4.506 3.909 4.696 0.116 15 0 "[ . 1 . 2]" 1
280 1 19 ILE MG 1 92 GLN HG3 . . 4.760 3.792 2.640 5.209 0.449 1 0 "[ . 1 . 2]" 1
281 1 20 HIS H 1 20 HIS HB2 . . 4.000 2.990 2.192 3.624 . 0 0 "[ . 1 . 2]" 1
282 1 20 HIS H 1 20 HIS HB3 . . 3.560 2.554 2.308 2.806 . 0 0 "[ . 1 . 2]" 1
283 1 20 HIS HA 1 21 PHE H . . 3.620 3.540 2.301 3.670 0.050 2 0 "[ . 1 . 2]" 1
284 1 20 HIS HA 1 22 GLY H . . 5.180 4.796 4.356 5.255 0.075 4 0 "[ . 1 . 2]" 1
285 1 20 HIS HB2 1 20 HIS HD2 . . 3.930 3.268 2.605 3.959 0.029 1 0 "[ . 1 . 2]" 1
286 1 20 HIS HB3 1 20 HIS HD2 . . 3.830 3.198 2.527 3.922 0.092 14 0 "[ . 1 . 2]" 1
287 1 20 HIS HB3 1 21 PHE H . . 5.090 3.226 2.181 4.534 . 0 0 "[ . 1 . 2]" 1
288 1 20 HIS HB3 1 22 GLY H . . 5.140 4.431 3.488 5.411 0.271 5 0 "[ . 1 . 2]" 1
289 1 20 HIS HD2 1 21 PHE HA . . 4.220 3.942 2.986 4.309 0.089 10 0 "[ . 1 . 2]" 1
290 1 20 HIS HD2 1 22 GLY HA3 . . 4.290 3.484 2.349 4.366 0.076 13 0 "[ . 1 . 2]" 1
291 1 21 PHE H 1 21 PHE QD . . 3.910 2.635 2.205 3.598 . 0 0 "[ . 1 . 2]" 1
292 1 21 PHE H 1 22 GLY H . . 3.590 2.991 2.749 3.615 0.025 8 0 "[ . 1 . 2]" 1
293 1 21 PHE H 1 23 ASN H . . 4.800 4.872 4.848 4.898 0.098 8 0 "[ . 1 . 2]" 1
294 1 21 PHE HA 1 21 PHE QD . . 3.510 2.295 2.108 2.563 . 0 0 "[ . 1 . 2]" 1
295 1 21 PHE QB 1 22 GLY H . . 4.390 3.858 2.410 3.987 . 0 0 "[ . 1 . 2]" 1
296 1 21 PHE QB 1 31 ARG QG . . 4.530 3.907 2.437 4.266 . 0 0 "[ . 1 . 2]" 1
297 1 21 PHE QD 1 22 GLY H . . 5.360 4.431 4.231 4.708 . 0 0 "[ . 1 . 2]" 1
298 1 21 PHE QD 1 27 ASP H . . 5.100 5.099 4.752 5.198 0.098 16 0 "[ . 1 . 2]" 1
299 1 21 PHE QD 1 27 ASP HA . . 3.290 2.582 2.250 3.120 . 0 0 "[ . 1 . 2]" 1
300 1 21 PHE QD 1 31 ARG HD3 . . 4.660 4.478 3.591 4.753 0.093 9 0 "[ . 1 . 2]" 1
301 1 21 PHE QD 1 31 ARG QG . . 4.150 2.857 2.367 3.179 . 0 0 "[ . 1 . 2]" 1
302 1 21 PHE QE 1 30 TYR HB3 . . 4.160 2.643 2.221 4.249 0.089 4 0 "[ . 1 . 2]" 1
303 1 21 PHE QE 1 31 ARG QG . . 4.650 3.869 3.211 4.300 . 0 0 "[ . 1 . 2]" 1
304 1 21 PHE QE 1 85 ILE HA . . 4.010 4.071 3.746 4.114 0.104 1 0 "[ . 1 . 2]" 1
305 1 21 PHE QE 1 85 ILE MD . . 3.800 3.630 3.009 3.919 0.119 15 0 "[ . 1 . 2]" 1
306 1 21 PHE QE 1 85 ILE QG . . 4.470 3.912 2.731 4.547 0.077 6 0 "[ . 1 . 2]" 1
307 1 21 PHE QE 1 85 ILE MG . . 4.120 2.655 2.231 2.852 . 0 0 "[ . 1 . 2]" 1
308 1 21 PHE QE 1 88 ARG HB3 . . 4.100 3.878 3.345 4.199 0.099 17 0 "[ . 1 . 2]" 1
309 1 21 PHE QE 1 88 ARG HD2 . . 3.730 2.865 2.074 3.826 0.096 4 0 "[ . 1 . 2]" 1
310 1 21 PHE QE 1 88 ARG HD3 . . 4.390 3.386 2.874 4.471 0.081 18 0 "[ . 1 . 2]" 1
311 1 21 PHE QE 1 88 ARG HG3 . . 4.320 4.215 3.327 4.420 0.100 19 0 "[ . 1 . 2]" 1
312 1 21 PHE QE 1 89 VAL QG . . 3.740 3.299 2.188 3.637 . 0 0 "[ . 1 . 2]" 1
313 1 21 PHE HZ 1 30 TYR HB3 . . 4.310 4.210 3.070 4.390 0.080 3 0 "[ . 1 . 2]" 1
314 1 21 PHE HZ 1 30 TYR QD . . 4.490 4.253 3.351 4.576 0.086 14 0 "[ . 1 . 2]" 1
315 1 21 PHE HZ 1 85 ILE HA . . 4.340 4.324 4.121 4.423 0.083 9 0 "[ . 1 . 2]" 1
316 1 21 PHE HZ 1 85 ILE MG . . 4.070 2.071 1.974 2.168 . 0 0 "[ . 1 . 2]" 1
317 1 21 PHE HZ 1 89 VAL QG . . 4.300 2.705 1.938 3.452 . 0 0 "[ . 1 . 2]" 1
318 1 22 GLY H 1 23 ASN H . . 3.220 2.793 2.558 3.301 0.081 1 0 "[ . 1 . 2]" 1
319 1 23 ASN H 1 23 ASN QB . . 3.640 2.514 2.099 3.081 . 0 0 "[ . 1 . 2]" 1
320 1 23 ASN H 1 23 ASN HD21 . . 5.120 4.373 2.526 5.201 0.081 1 0 "[ . 1 . 2]" 1
321 1 23 ASN H 1 24 ASP H . . 4.840 4.413 3.677 4.671 . 0 0 "[ . 1 . 2]" 1
322 1 23 ASN H 1 27 ASP H . . 4.870 4.689 4.306 4.955 0.085 12 0 "[ . 1 . 2]" 1
323 1 23 ASN HA 1 24 ASP H . . 2.840 2.499 2.120 2.827 . 0 0 "[ . 1 . 2]" 1
324 1 23 ASN QB 1 24 ASP H . . 3.600 2.716 2.047 3.703 0.103 17 0 "[ . 1 . 2]" 1
325 1 23 ASN QB 1 25 TYR H . . 4.400 3.928 3.213 4.463 0.063 6 0 "[ . 1 . 2]" 1
326 1 23 ASN QB 1 26 GLU H . . 4.820 3.146 2.457 4.257 . 0 0 "[ . 1 . 2]" 1
327 1 23 ASN QB 1 26 GLU HB2 . . 4.190 2.723 2.150 4.237 0.047 2 0 "[ . 1 . 2]" 1
328 1 23 ASN HD21 1 24 ASP H . . 5.300 4.081 2.218 5.353 0.053 12 0 "[ . 1 . 2]" 1
329 1 23 ASN HD21 1 26 GLU H . . 5.130 3.715 1.925 5.065 . 0 0 "[ . 1 . 2]" 1
330 1 23 ASN HD22 1 26 GLU H . . 5.090 4.524 2.602 5.224 0.134 14 0 "[ . 1 . 2]" 1
331 1 23 ASN HD22 1 26 GLU HB2 . . 4.740 3.432 2.400 4.621 . 0 0 "[ . 1 . 2]" 1
332 1 23 ASN HD22 1 26 GLU HG3 . . 5.420 4.366 2.631 5.479 0.059 13 0 "[ . 1 . 2]" 1
333 1 24 ASP H 1 24 ASP QB . . 2.980 2.548 2.184 2.826 . 0 0 "[ . 1 . 2]" 1
334 1 24 ASP H 1 25 TYR H . . 3.600 2.500 1.910 3.264 . 0 0 "[ . 1 . 2]" 1
335 1 24 ASP HA 1 27 ASP H . . 4.290 3.944 3.441 4.381 0.091 14 0 "[ . 1 . 2]" 1
336 1 24 ASP HA 1 27 ASP HB2 . . 3.890 3.837 2.908 4.815 0.925 14 2 "[- . 1 +. 2]" 1
337 1 24 ASP HA 1 28 ARG H . . 4.610 3.567 2.542 4.375 . 0 0 "[ . 1 . 2]" 1
338 1 24 ASP HA 1 28 ARG QB . . 4.290 4.105 2.151 4.391 0.101 5 0 "[ . 1 . 2]" 1
339 1 24 ASP QB 1 25 TYR H . . 3.390 2.469 2.043 3.324 . 0 0 "[ . 1 . 2]" 1
340 1 25 TYR H 1 25 TYR HB2 . . 3.320 2.622 2.236 3.238 . 0 0 "[ . 1 . 2]" 1
341 1 25 TYR H 1 25 TYR HB3 . . 3.270 2.421 2.237 2.536 . 0 0 "[ . 1 . 2]" 1
342 1 25 TYR H 1 25 TYR QD . . 4.550 4.179 3.897 4.272 . 0 0 "[ . 1 . 2]" 1
343 1 25 TYR H 1 27 ASP H . . 4.910 4.167 3.533 4.746 . 0 0 "[ . 1 . 2]" 1
344 1 25 TYR H 1 28 ARG QB . . 5.150 5.103 4.582 5.239 0.089 2 0 "[ . 1 . 2]" 1
345 1 25 TYR HA 1 25 TYR QD . . 3.230 2.926 2.404 3.317 0.087 17 0 "[ . 1 . 2]" 1
346 1 25 TYR HA 1 28 ARG H . . 4.780 4.176 3.535 4.817 0.037 17 0 "[ . 1 . 2]" 1
347 1 25 TYR HA 1 28 ARG QB . . 4.170 3.652 3.226 4.271 0.101 7 0 "[ . 1 . 2]" 1
348 1 25 TYR HB2 1 26 GLU H . . 4.160 3.821 3.643 4.014 . 0 0 "[ . 1 . 2]" 1
349 1 25 TYR HB3 1 26 GLU H . . 3.720 2.414 2.188 2.738 . 0 0 "[ . 1 . 2]" 1
350 1 25 TYR HB3 1 27 ASP H . . 5.000 4.808 4.491 5.070 0.070 16 0 "[ . 1 . 2]" 1
351 1 25 TYR QD 1 26 GLU H . . 4.570 2.836 2.564 3.283 . 0 0 "[ . 1 . 2]" 1
352 1 25 TYR QD 1 26 GLU HA . . 4.120 3.181 2.464 3.950 . 0 0 "[ . 1 . 2]" 1
353 1 25 TYR QD 1 26 GLU HB2 . . 4.150 4.154 3.510 4.246 0.096 10 0 "[ . 1 . 2]" 1
354 1 25 TYR QD 1 26 GLU HG2 . . 3.890 2.924 2.223 3.898 0.008 13 0 "[ . 1 . 2]" 1
355 1 25 TYR QD 1 26 GLU HG3 . . 3.570 2.277 2.108 2.613 . 0 0 "[ . 1 . 2]" 1
356 1 25 TYR QD 1 81 THR MG . . 4.320 3.425 2.791 4.055 . 0 0 "[ . 1 . 2]" 1
357 1 25 TYR QE 1 26 GLU HA . . 4.490 4.061 3.679 4.571 0.081 17 0 "[ . 1 . 2]" 1
358 1 25 TYR QE 1 26 GLU HG2 . . 4.310 3.646 3.118 4.395 0.085 2 0 "[ . 1 . 2]" 1
359 1 25 TYR QE 1 26 GLU HG3 . . 4.540 3.907 2.797 4.626 0.086 20 0 "[ . 1 . 2]" 1
360 1 25 TYR QE 1 81 THR HB . . 4.540 4.182 3.252 4.634 0.094 6 0 "[ . 1 . 2]" 1
361 1 25 TYR QE 1 81 THR MG . . 3.670 2.620 2.163 3.575 . 0 0 "[ . 1 . 2]" 1
362 1 26 GLU H 1 26 GLU HB2 . . 3.480 2.388 2.027 2.691 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLU H 1 26 GLU HB3 . . 4.080 3.542 3.360 3.732 . 0 0 "[ . 1 . 2]" 1
364 1 26 GLU H 1 26 GLU HG3 . . 3.710 2.379 1.884 3.432 . 0 0 "[ . 1 . 2]" 1
365 1 26 GLU H 1 27 ASP H . . 3.650 2.646 1.899 2.919 . 0 0 "[ . 1 . 2]" 1
366 1 26 GLU HA 1 26 GLU HG2 . . 4.010 2.679 2.267 3.498 . 0 0 "[ . 1 . 2]" 1
367 1 26 GLU HA 1 29 TYR H . . 4.270 3.898 3.475 4.276 0.006 7 0 "[ . 1 . 2]" 1
368 1 26 GLU HA 1 29 TYR HB3 . . 3.840 2.714 2.199 3.379 . 0 0 "[ . 1 . 2]" 1
369 1 26 GLU HA 1 29 TYR QD . . 4.150 3.785 3.050 4.245 0.095 3 0 "[ . 1 . 2]" 1
370 1 26 GLU HA 1 81 THR MG . . 4.280 3.219 2.468 4.127 . 0 0 "[ . 1 . 2]" 1
371 1 26 GLU HB2 1 27 ASP H . . 3.910 2.738 1.989 3.576 . 0 0 "[ . 1 . 2]" 1
372 1 26 GLU HB3 1 27 ASP H . . 4.620 3.628 3.072 4.272 . 0 0 "[ . 1 . 2]" 1
373 1 26 GLU HB3 1 85 ILE MD . . 4.470 2.135 1.993 2.332 . 0 0 "[ . 1 . 2]" 1
374 1 26 GLU HG2 1 81 THR MG . . 4.760 2.146 1.979 2.461 . 0 0 "[ . 1 . 2]" 1
375 1 26 GLU HG3 1 81 THR MG . . 4.570 3.214 2.116 3.810 . 0 0 "[ . 1 . 2]" 1
376 1 27 ASP H 1 27 ASP HB2 . . 3.560 2.667 2.141 3.320 . 0 0 "[ . 1 . 2]" 1
377 1 27 ASP H 1 27 ASP HB3 . . 3.380 2.301 2.024 3.394 0.014 7 0 "[ . 1 . 2]" 1
378 1 27 ASP HA 1 30 TYR H . . 4.620 3.877 3.607 4.223 . 0 0 "[ . 1 . 2]" 1
379 1 27 ASP HB2 1 28 ARG H . . 3.980 3.685 2.935 3.908 . 0 0 "[ . 1 . 2]" 1
380 1 27 ASP HB3 1 28 ARG H . . 3.800 2.366 2.082 3.536 . 0 0 "[ . 1 . 2]" 1
381 1 28 ARG H 1 28 ARG QB . . 3.020 2.136 2.002 2.360 . 0 0 "[ . 1 . 2]" 1
382 1 28 ARG H 1 28 ARG QD . . 5.310 3.819 2.739 4.704 . 0 0 "[ . 1 . 2]" 1
383 1 28 ARG H 1 28 ARG HG2 . . 4.030 3.909 2.402 4.626 0.596 14 3 "[ .- * +. 2]" 1
384 1 28 ARG H 1 28 ARG HG3 . . 5.310 3.608 2.161 4.508 . 0 0 "[ . 1 . 2]" 1
385 1 28 ARG H 1 29 TYR H . . 3.520 2.724 2.294 2.860 . 0 0 "[ . 1 . 2]" 1
386 1 28 ARG H 1 29 TYR HB3 . . 4.820 4.680 3.984 4.880 0.060 15 0 "[ . 1 . 2]" 1
387 1 28 ARG H 1 30 TYR H . . 4.670 4.261 3.871 4.503 . 0 0 "[ . 1 . 2]" 1
388 1 28 ARG HA 1 28 ARG QD . . 4.300 3.193 2.111 4.047 . 0 0 "[ . 1 . 2]" 1
389 1 28 ARG HA 1 28 ARG HG2 . . 3.810 2.726 2.013 3.404 . 0 0 "[ . 1 . 2]" 1
390 1 28 ARG HA 1 28 ARG HG3 . . 4.290 2.735 2.063 3.685 . 0 0 "[ . 1 . 2]" 1
391 1 28 ARG HA 1 31 ARG H . . 4.220 3.165 2.605 3.612 . 0 0 "[ . 1 . 2]" 1
392 1 28 ARG HA 1 31 ARG HB2 . . 2.980 2.098 1.967 2.316 . 0 0 "[ . 1 . 2]" 1
393 1 28 ARG HA 1 32 GLU H . . 5.070 3.673 3.162 4.198 . 0 0 "[ . 1 . 2]" 1
394 1 28 ARG QB 1 28 ARG QD . . 3.450 2.282 2.040 2.784 . 0 0 "[ . 1 . 2]" 1
395 1 28 ARG QB 1 29 TYR H . . 3.680 2.692 2.370 2.925 . 0 0 "[ . 1 . 2]" 1
396 1 28 ARG QB 1 29 TYR HA . . 4.090 3.962 3.700 4.147 0.057 18 0 "[ . 1 . 2]" 1
397 1 28 ARG QB 1 29 TYR HB2 . . 4.390 4.281 3.889 4.490 0.100 9 0 "[ . 1 . 2]" 1
398 1 28 ARG QB 1 30 TYR H . . 4.670 4.707 4.551 4.769 0.099 10 0 "[ . 1 . 2]" 1
399 1 28 ARG QD 1 29 TYR H . . 5.100 4.829 3.928 5.194 0.094 4 0 "[ . 1 . 2]" 1
400 1 28 ARG QD 1 31 ARG HE . . 4.070 3.982 2.919 4.171 0.101 18 0 "[ . 1 . 2]" 1
401 1 28 ARG HG2 1 29 TYR H . . 4.990 4.892 3.848 5.433 0.443 12 0 "[ . 1 . 2]" 1
402 1 28 ARG HG2 1 31 ARG HE . . 4.960 4.092 2.583 5.076 0.116 14 0 "[ . 1 . 2]" 1
403 1 28 ARG HG3 1 31 ARG HE . . 5.010 3.878 2.741 5.094 0.084 20 0 "[ . 1 . 2]" 1
404 1 29 TYR H 1 29 TYR HB2 . . 3.610 2.456 2.035 2.812 . 0 0 "[ . 1 . 2]" 1
405 1 29 TYR H 1 29 TYR HB3 . . 3.730 2.357 2.063 2.575 . 0 0 "[ . 1 . 2]" 1
406 1 29 TYR H 1 29 TYR QD . . 4.770 4.093 3.878 4.223 . 0 0 "[ . 1 . 2]" 1
407 1 29 TYR H 1 30 TYR H . . 3.800 2.887 2.619 3.077 . 0 0 "[ . 1 . 2]" 1
408 1 29 TYR HA 1 29 TYR QD . . 3.630 3.055 2.738 3.291 . 0 0 "[ . 1 . 2]" 1
409 1 29 TYR HA 1 32 GLU H . . 4.500 4.342 3.957 4.578 0.078 12 0 "[ . 1 . 2]" 1
410 1 29 TYR HA 1 32 GLU HG3 . . 4.370 4.326 3.666 4.449 0.079 11 0 "[ . 1 . 2]" 1
411 1 29 TYR HA 1 33 ASN HD21 . . 5.210 4.034 3.088 5.704 0.494 17 0 "[ . 1 . 2]" 1
412 1 29 TYR HB2 1 30 TYR H . . 4.180 4.151 3.763 4.250 0.070 12 0 "[ . 1 . 2]" 1
413 1 29 TYR HB3 1 30 TYR H . . 3.840 2.934 2.533 3.122 . 0 0 "[ . 1 . 2]" 1
414 1 29 TYR QD 1 30 TYR H . . 4.890 3.560 3.013 4.041 . 0 0 "[ . 1 . 2]" 1
415 1 29 TYR QD 1 30 TYR HA . . 4.050 3.836 2.905 4.129 0.079 12 0 "[ . 1 . 2]" 1
416 1 29 TYR QD 1 85 ILE MD . . 3.300 3.120 2.204 3.407 0.107 10 0 "[ . 1 . 2]" 1
417 1 30 TYR H 1 30 TYR HB3 . . 3.150 3.197 2.930 3.240 0.090 4 0 "[ . 1 . 2]" 1
418 1 30 TYR H 1 30 TYR QD . . 4.730 3.531 3.188 4.074 . 0 0 "[ . 1 . 2]" 1
419 1 30 TYR H 1 31 ARG H . . 3.690 2.293 2.111 2.547 . 0 0 "[ . 1 . 2]" 1
420 1 30 TYR H 1 31 ARG HB3 . . 5.500 5.540 5.088 5.593 0.093 3 0 "[ . 1 . 2]" 1
421 1 30 TYR H 1 32 GLU H . . 4.970 4.203 3.866 4.502 . 0 0 "[ . 1 . 2]" 1
422 1 30 TYR H 1 85 ILE MG . . 4.620 4.708 4.605 4.740 0.120 3 0 "[ . 1 . 2]" 1
423 1 30 TYR HA 1 30 TYR QD . . 3.230 2.819 2.378 3.026 . 0 0 "[ . 1 . 2]" 1
424 1 30 TYR HA 1 30 TYR QE . . 4.490 4.318 4.128 4.527 0.037 9 0 "[ . 1 . 2]" 1
425 1 30 TYR HA 1 33 ASN H . . 4.560 3.609 3.136 4.152 . 0 0 "[ . 1 . 2]" 1
426 1 30 TYR HA 1 34 MET H . . 5.090 4.807 3.922 5.169 0.079 9 0 "[ . 1 . 2]" 1
427 1 30 TYR HA 1 85 ILE MD . . 4.560 4.396 3.954 4.653 0.093 18 0 "[ . 1 . 2]" 1
428 1 30 TYR HB3 1 31 ARG H . . 3.570 2.960 2.581 3.633 0.063 9 0 "[ . 1 . 2]" 1
429 1 30 TYR HB3 1 85 ILE MD . . 4.290 3.594 2.422 4.088 . 0 0 "[ . 1 . 2]" 1
430 1 30 TYR HB3 1 85 ILE MG . . 4.370 3.076 2.486 3.416 . 0 0 "[ . 1 . 2]" 1
431 1 30 TYR QD 1 34 MET HA . . 4.520 3.825 2.915 4.600 0.080 6 0 "[ . 1 . 2]" 1
432 1 30 TYR QD 1 34 MET ME . . 3.870 3.657 2.486 3.993 0.123 10 0 "[ . 1 . 2]" 1
433 1 30 TYR QD 1 85 ILE MD . . 4.910 2.261 2.014 2.747 . 0 0 "[ . 1 . 2]" 1
434 1 30 TYR QD 1 85 ILE MG . . 3.630 2.727 2.474 2.869 . 0 0 "[ . 1 . 2]" 1
435 1 30 TYR QD 1 89 VAL QG . . 4.510 3.744 3.378 4.199 . 0 0 "[ . 1 . 2]" 1
436 1 30 TYR QE 1 82 ASP HA . . 3.900 2.359 2.019 3.251 . 0 0 "[ . 1 . 2]" 1
437 1 30 TYR QE 1 82 ASP HB2 . . 4.360 4.267 3.861 4.466 0.106 4 0 "[ . 1 . 2]" 1
438 1 30 TYR QE 1 85 ILE MD . . 4.980 3.311 2.424 4.390 . 0 0 "[ . 1 . 2]" 1
439 1 30 TYR QE 1 85 ILE MG . . 3.730 3.072 2.737 3.607 . 0 0 "[ . 1 . 2]" 1
440 1 31 ARG H 1 31 ARG HB2 . . 3.140 2.211 2.088 2.424 . 0 0 "[ . 1 . 2]" 1
441 1 31 ARG H 1 31 ARG HE . . 4.690 4.414 3.461 4.749 0.059 10 0 "[ . 1 . 2]" 1
442 1 31 ARG H 1 31 ARG QG . . 4.580 2.963 2.496 3.696 . 0 0 "[ . 1 . 2]" 1
443 1 31 ARG H 1 32 GLU H . . 3.550 3.016 2.697 3.219 . 0 0 "[ . 1 . 2]" 1
444 1 31 ARG HA 1 31 ARG HD2 . . 4.210 4.143 3.934 4.601 0.391 10 0 "[ . 1 . 2]" 1
445 1 31 ARG HA 1 31 ARG HD3 . . 4.550 4.526 4.296 4.631 0.081 19 0 "[ . 1 . 2]" 1
446 1 31 ARG HA 1 33 ASN H . . 4.950 4.506 3.928 5.022 0.072 5 0 "[ . 1 . 2]" 1
447 1 31 ARG HA 1 34 MET QB . . 4.100 2.823 2.376 3.175 . 0 0 "[ . 1 . 2]" 1
448 1 31 ARG HA 1 34 MET HG2 . . 4.410 3.257 1.921 4.474 0.064 9 0 "[ . 1 . 2]" 1
449 1 31 ARG HB2 1 31 ARG HD2 . . 4.020 3.373 3.044 3.695 . 0 0 "[ . 1 . 2]" 1
450 1 31 ARG HB3 1 31 ARG HD2 . . 3.720 2.488 2.255 3.808 0.088 10 0 "[ . 1 . 2]" 1
451 1 32 GLU H 1 32 GLU QB . . 3.180 2.467 2.150 2.847 . 0 0 "[ . 1 . 2]" 1
452 1 32 GLU H 1 32 GLU HG2 . . 4.080 2.565 2.002 3.375 . 0 0 "[ . 1 . 2]" 1
453 1 32 GLU H 1 32 GLU HG3 . . 3.590 3.081 2.074 3.668 0.078 17 0 "[ . 1 . 2]" 1
454 1 32 GLU H 1 33 ASN H . . 3.080 2.707 2.496 3.067 . 0 0 "[ . 1 . 2]" 1
455 1 32 GLU H 1 33 ASN HD21 . . 5.210 4.495 3.737 5.281 0.071 10 0 "[ . 1 . 2]" 1
456 1 32 GLU H 1 33 ASN HD22 . . 5.250 5.140 4.767 5.332 0.082 9 0 "[ . 1 . 2]" 1
457 1 32 GLU HA 1 32 GLU HG2 . . 3.520 2.971 2.302 3.975 0.455 1 0 "[ . 1 . 2]" 1
458 1 32 GLU HA 1 32 GLU HG3 . . 3.900 3.645 3.264 3.906 0.006 11 0 "[ . 1 . 2]" 1
459 1 32 GLU HA 1 34 MET H . . 4.860 4.162 3.666 4.627 . 0 0 "[ . 1 . 2]" 1
460 1 32 GLU HA 1 35 TYR QE . . 4.440 4.454 3.693 4.550 0.110 11 0 "[ . 1 . 2]" 1
461 1 32 GLU QB 1 33 ASN H . . 4.040 2.765 2.049 3.803 . 0 0 "[ . 1 . 2]" 1
462 1 32 GLU QB 1 33 ASN HD21 . . 5.250 3.505 2.386 4.877 . 0 0 "[ . 1 . 2]" 1
463 1 32 GLU QB 1 33 ASN HD22 . . 5.130 3.631 2.573 5.173 0.043 4 0 "[ . 1 . 2]" 1
464 1 32 GLU QB 1 35 TYR QE . . 4.480 4.346 3.312 4.589 0.109 12 0 "[ . 1 . 2]" 1
465 1 33 ASN H 1 33 ASN HB2 . . 3.630 2.784 2.300 3.701 0.071 8 0 "[ . 1 . 2]" 1
466 1 33 ASN H 1 33 ASN HB3 . . 4.180 3.483 2.775 3.867 . 0 0 "[ . 1 . 2]" 1
467 1 33 ASN H 1 33 ASN HD21 . . 4.150 2.932 2.131 3.744 . 0 0 "[ . 1 . 2]" 1
468 1 33 ASN H 1 33 ASN HD22 . . 4.600 3.764 3.144 4.300 . 0 0 "[ . 1 . 2]" 1
469 1 33 ASN H 1 34 MET H . . 3.490 2.801 2.064 3.558 0.068 7 0 "[ . 1 . 2]" 1
470 1 33 ASN HA 1 35 TYR H . . 4.580 3.360 2.770 3.784 . 0 0 "[ . 1 . 2]" 1
471 1 33 ASN HA 1 35 TYR QD . . 4.090 3.681 2.724 4.172 0.082 9 0 "[ . 1 . 2]" 1
472 1 33 ASN HA 1 35 TYR QE . . 3.750 2.778 2.378 3.444 . 0 0 "[ . 1 . 2]" 1
473 1 33 ASN HB2 1 34 MET H . . 5.140 4.071 3.089 4.507 . 0 0 "[ . 1 . 2]" 1
474 1 34 MET H 1 34 MET QB . . 3.580 2.270 1.997 2.860 . 0 0 "[ . 1 . 2]" 1
475 1 34 MET H 1 34 MET ME . . 5.390 4.636 4.308 5.137 . 0 0 "[ . 1 . 2]" 1
476 1 34 MET H 1 34 MET HG2 . . 3.950 3.260 2.493 3.990 0.040 13 0 "[ . 1 . 2]" 1
477 1 34 MET H 1 34 MET HG3 . . 4.240 3.448 2.301 4.306 0.066 7 0 "[ . 1 . 2]" 1
478 1 34 MET H 1 35 TYR H . . 3.210 2.796 2.209 3.279 0.069 20 0 "[ . 1 . 2]" 1
479 1 34 MET HA 1 34 MET ME . . 4.840 3.046 2.195 3.869 . 0 0 "[ . 1 . 2]" 1
480 1 34 MET HA 1 34 MET HG3 . . 4.020 3.480 2.774 3.809 . 0 0 "[ . 1 . 2]" 1
481 1 34 MET HA 1 37 TYR H . . 4.910 4.891 4.582 4.996 0.086 17 0 "[ . 1 . 2]" 1
482 1 34 MET HA 1 37 TYR QD . . 3.680 3.037 2.462 3.768 0.088 11 0 "[ . 1 . 2]" 1
483 1 34 MET HA 1 37 TYR QE . . 3.700 2.819 2.152 3.789 0.089 7 0 "[ . 1 . 2]" 1
484 1 34 MET QB 1 34 MET ME . . 2.400 2.016 1.923 2.158 . 0 0 "[ . 1 . 2]" 1
485 1 34 MET QB 1 35 TYR H . . 4.640 3.673 3.267 4.034 . 0 0 "[ . 1 . 2]" 1
486 1 34 MET ME 1 36 ARG HD2 . . 4.670 4.781 4.758 4.797 0.127 7 0 "[ . 1 . 2]" 1
487 1 34 MET ME 1 37 TYR QD . . 4.390 2.894 2.147 3.639 . 0 0 "[ . 1 . 2]" 1
488 1 34 MET ME 1 37 TYR QE . . 4.100 2.512 1.915 3.258 . 0 0 "[ . 1 . 2]" 1
489 1 34 MET ME 1 89 VAL QG . . 4.850 3.208 2.332 3.987 . 0 0 "[ . 1 . 2]" 1
490 1 34 MET HG2 1 35 TYR H . . 4.950 4.756 3.683 5.026 0.076 3 0 "[ . 1 . 2]" 1
491 1 35 TYR H 1 35 TYR HB2 . . 3.750 3.537 3.280 3.641 . 0 0 "[ . 1 . 2]" 1
492 1 35 TYR H 1 35 TYR HB3 . . 3.690 2.962 2.684 3.427 . 0 0 "[ . 1 . 2]" 1
493 1 35 TYR H 1 35 TYR QD . . 3.510 2.649 2.356 2.940 . 0 0 "[ . 1 . 2]" 1
494 1 35 TYR H 1 35 TYR QE . . 4.540 3.880 3.404 4.177 . 0 0 "[ . 1 . 2]" 1
495 1 35 TYR H 1 36 ARG HG2 . . 5.170 5.127 4.464 5.256 0.086 1 0 "[ . 1 . 2]" 1
496 1 35 TYR HA 1 37 TYR H . . 4.920 3.787 3.460 4.184 . 0 0 "[ . 1 . 2]" 1
497 1 35 TYR HB2 1 36 ARG H . . 4.860 4.028 2.841 4.479 . 0 0 "[ . 1 . 2]" 1
498 1 35 TYR QD 1 36 ARG HB3 . . 4.480 3.070 2.463 3.782 . 0 0 "[ . 1 . 2]" 1
499 1 35 TYR QE 1 36 ARG HG3 . . 4.400 4.227 3.510 4.494 0.094 2 0 "[ . 1 . 2]" 1
500 1 36 ARG H 1 36 ARG HB2 . . 3.740 3.671 3.501 3.809 0.069 17 0 "[ . 1 . 2]" 1
501 1 36 ARG H 1 36 ARG HD3 . . 5.140 3.710 2.889 4.513 . 0 0 "[ . 1 . 2]" 1
502 1 36 ARG H 1 36 ARG HG2 . . 3.880 3.626 3.280 3.935 0.055 5 0 "[ . 1 . 2]" 1
503 1 36 ARG H 1 36 ARG HG3 . . 4.370 2.168 1.931 2.595 . 0 0 "[ . 1 . 2]" 1
504 1 36 ARG H 1 37 TYR H . . 3.640 2.906 2.113 3.482 . 0 0 "[ . 1 . 2]" 1
505 1 36 ARG H 1 37 TYR QD . . 4.800 3.452 2.708 4.764 . 0 0 "[ . 1 . 2]" 1
506 1 36 ARG HA 1 36 ARG HG3 . . 3.870 3.755 3.683 3.788 . 0 0 "[ . 1 . 2]" 1
507 1 36 ARG HB2 1 36 ARG HD3 . . 4.280 2.645 2.284 2.856 . 0 0 "[ . 1 . 2]" 1
508 1 36 ARG HB2 1 36 ARG HE . . 5.070 4.561 3.815 4.922 . 0 0 "[ . 1 . 2]" 1
509 1 36 ARG HB2 1 37 TYR H . . 4.660 4.504 4.427 4.565 . 0 0 "[ . 1 . 2]" 1
510 1 36 ARG HB3 1 37 TYR H . . 4.790 4.684 4.590 4.753 . 0 0 "[ . 1 . 2]" 1
511 1 36 ARG HD2 1 37 TYR QD . . 4.620 2.676 2.149 3.699 . 0 0 "[ . 1 . 2]" 1
512 1 36 ARG HD3 1 37 TYR HA . . 4.430 3.662 3.252 4.491 0.061 17 0 "[ . 1 . 2]" 1
513 1 37 TYR H 1 37 TYR HB3 . . 3.610 3.421 3.177 3.524 . 0 0 "[ . 1 . 2]" 1
514 1 37 TYR H 1 37 TYR QD . . 4.730 2.887 2.503 3.504 . 0 0 "[ . 1 . 2]" 1
515 1 37 TYR HA 1 37 TYR QD . . 3.220 2.786 2.348 3.351 0.131 7 0 "[ . 1 . 2]" 1
516 1 37 TYR HA 1 38 PRO HD2 . . 3.720 2.727 2.407 3.311 . 0 0 "[ . 1 . 2]" 1
517 1 37 TYR QD 1 89 VAL QG . . 4.690 3.614 3.295 3.934 . 0 0 "[ . 1 . 2]" 1
518 1 37 TYR QD 1 90 VAL MG2 . . 4.270 4.197 3.427 4.396 0.126 2 0 "[ . 1 . 2]" 1
519 1 37 TYR QE 1 38 PRO HD2 . . 4.440 4.372 3.862 4.534 0.094 5 0 "[ . 1 . 2]" 1
520 1 37 TYR QE 1 89 VAL QG . . 4.640 2.211 1.880 3.845 . 0 0 "[ . 1 . 2]" 1
521 1 38 PRO HA 1 39 ASN H . . 3.030 2.382 2.197 3.105 0.075 18 0 "[ . 1 . 2]" 1
522 1 38 PRO HA 1 40 GLN H . . 4.050 4.096 3.893 4.134 0.084 3 0 "[ . 1 . 2]" 1
523 1 38 PRO HA 1 67 HIS HD2 . . 4.510 4.031 2.332 4.590 0.080 4 0 "[ . 1 . 2]" 1
524 1 38 PRO QB 1 39 ASN H . . 4.280 2.858 2.414 3.853 . 0 0 "[ . 1 . 2]" 1
525 1 38 PRO QB 1 40 GLN H . . 4.110 2.562 2.078 3.156 . 0 0 "[ . 1 . 2]" 1
526 1 38 PRO QB 1 67 HIS HD2 . . 3.990 2.571 2.123 3.830 . 0 0 "[ . 1 . 2]" 1
527 1 38 PRO HD2 1 67 HIS HD2 . . 4.520 4.155 3.670 4.604 0.084 15 0 "[ . 1 . 2]" 1
528 1 38 PRO HD3 1 67 HIS HD2 . . 4.470 2.585 2.139 3.156 . 0 0 "[ . 1 . 2]" 1
529 1 38 PRO HD3 1 90 VAL MG2 . . 4.750 4.524 3.532 4.936 0.186 12 0 "[ . 1 . 2]" 1
530 1 38 PRO HG2 1 90 VAL MG2 . . 4.710 4.311 3.425 4.854 0.144 18 0 "[ . 1 . 2]" 1
531 1 38 PRO HG3 1 67 HIS HD2 . . 3.760 2.751 2.060 3.545 . 0 0 "[ . 1 . 2]" 1
532 1 38 PRO HG3 1 90 VAL MG2 . . 4.810 3.941 2.460 4.900 0.090 12 0 "[ . 1 . 2]" 1
533 1 39 ASN H 1 39 ASN HD22 . . 5.180 4.961 3.742 5.902 0.722 14 4 "[ * . *- 1 +. 2]" 1
534 1 39 ASN H 1 40 GLN H . . 3.080 2.606 2.049 3.155 0.075 18 0 "[ . 1 . 2]" 1
535 1 39 ASN HB2 1 40 GLN H . . 4.160 3.298 2.590 3.962 . 0 0 "[ . 1 . 2]" 1
536 1 39 ASN HB3 1 40 GLN QG . . 4.490 3.230 2.200 4.369 . 0 0 "[ . 1 . 2]" 1
537 1 40 GLN H 1 40 GLN HB3 . . 4.130 3.792 3.496 3.913 . 0 0 "[ . 1 . 2]" 1
538 1 40 GLN HA 1 40 GLN QG . . 4.010 2.409 2.115 2.603 . 0 0 "[ . 1 . 2]" 1
539 1 40 GLN HA 1 41 VAL H . . 3.280 2.650 2.430 3.105 . 0 0 "[ . 1 . 2]" 1
540 1 40 GLN HA 1 41 VAL QG . . 4.380 3.561 2.898 4.179 . 0 0 "[ . 1 . 2]" 1
541 1 40 GLN HB2 1 40 GLN HE22 . . 5.360 4.314 3.601 4.956 . 0 0 "[ . 1 . 2]" 1
542 1 40 GLN HB2 1 41 VAL H . . 4.980 3.483 2.878 4.028 . 0 0 "[ . 1 . 2]" 1
543 1 40 GLN HB3 1 40 GLN HE22 . . 4.780 4.366 3.479 4.845 0.065 14 0 "[ . 1 . 2]" 1
544 1 40 GLN HB3 1 41 VAL H . . 4.530 2.211 1.773 2.737 . 0 0 "[ . 1 . 2]" 1
545 1 41 VAL H 1 41 VAL QG . . 3.930 2.194 2.035 2.500 . 0 0 "[ . 1 . 2]" 1
546 1 41 VAL HA 1 42 TYR H . . 3.440 2.283 2.115 2.852 . 0 0 "[ . 1 . 2]" 1
547 1 41 VAL HA 1 63 THR MG . . 3.400 2.407 1.983 3.055 . 0 0 "[ . 1 . 2]" 1
548 1 41 VAL HA 1 90 VAL MG1 . . 4.730 4.546 4.169 4.826 0.096 15 0 "[ . 1 . 2]" 1
549 1 41 VAL HB 1 63 THR MG . . 4.400 3.285 2.152 4.110 . 0 0 "[ . 1 . 2]" 1
550 1 41 VAL HB 1 94 CYS HA . . 4.360 4.251 3.809 4.450 0.090 19 0 "[ . 1 . 2]" 1
551 1 41 VAL QG 1 42 TYR H . . 4.830 2.599 1.567 3.292 . 0 0 "[ . 1 . 2]" 1
552 1 41 VAL QG 1 42 TYR QB . . 4.850 3.975 3.663 4.442 . 0 0 "[ . 1 . 2]" 1
553 1 41 VAL QG 1 43 TYR QD . . 4.280 3.625 2.593 4.314 0.034 5 0 "[ . 1 . 2]" 1
554 1 41 VAL QG 1 63 THR HA . . 4.640 4.632 4.505 4.663 0.023 9 0 "[ . 1 . 2]" 1
555 1 41 VAL QG 1 63 THR HB . . 4.760 3.490 2.901 4.156 . 0 0 "[ . 1 . 2]" 1
556 1 41 VAL QG 1 63 THR MG . . 3.500 2.108 1.888 2.620 . 0 0 "[ . 1 . 2]" 1
557 1 41 VAL QG 1 90 VAL MG1 . . 4.610 2.692 2.265 3.023 . 0 0 "[ . 1 . 2]" 1
558 1 41 VAL QG 1 93 MET H . . 5.050 4.568 4.322 4.907 . 0 0 "[ . 1 . 2]" 1
559 1 41 VAL QG 1 93 MET HA . . 4.820 4.202 3.805 4.389 . 0 0 "[ . 1 . 2]" 1
560 1 41 VAL QG 1 93 MET QB . . 4.130 2.876 2.411 3.636 . 0 0 "[ . 1 . 2]" 1
561 1 41 VAL QG 1 93 MET ME . . 5.320 3.782 1.936 4.472 . 0 0 "[ . 1 . 2]" 1
562 1 41 VAL QG 1 93 MET QG . . 4.800 2.458 1.831 3.485 . 0 0 "[ . 1 . 2]" 1
563 1 41 VAL QG 1 94 CYS H . . 4.600 3.383 2.881 4.005 . 0 0 "[ . 1 . 2]" 1
564 1 41 VAL QG 1 94 CYS HA . . 3.840 2.416 2.115 3.097 . 0 0 "[ . 1 . 2]" 1
565 1 41 VAL QG 1 94 CYS HB2 . . 4.400 2.765 2.098 3.982 . 0 0 "[ . 1 . 2]" 1
566 1 42 TYR H 1 42 TYR QB . . 3.370 2.254 2.077 2.835 . 0 0 "[ . 1 . 2]" 1
567 1 42 TYR H 1 42 TYR QD . . 4.480 3.145 2.454 4.085 . 0 0 "[ . 1 . 2]" 1
568 1 42 TYR H 1 62 ILE MG . . 5.460 4.181 3.612 4.806 . 0 0 "[ . 1 . 2]" 1
569 1 42 TYR H 1 63 THR HA . . 5.060 3.759 3.312 4.394 . 0 0 "[ . 1 . 2]" 1
570 1 42 TYR H 1 63 THR HB . . 4.910 4.080 3.705 4.599 . 0 0 "[ . 1 . 2]" 1
571 1 42 TYR H 1 63 THR HG1 . . 3.740 2.713 2.141 3.620 . 0 0 "[ . 1 . 2]" 1
572 1 42 TYR HA 1 42 TYR QD . . 4.210 2.613 2.157 3.055 . 0 0 "[ . 1 . 2]" 1
573 1 42 TYR HA 1 43 TYR H . . 3.220 2.325 2.192 2.429 . 0 0 "[ . 1 . 2]" 1
574 1 42 TYR QB 1 43 TYR H . . 4.460 3.051 2.708 3.508 . 0 0 "[ . 1 . 2]" 1
575 1 42 TYR QB 1 62 ILE MG . . 3.970 2.142 1.947 2.518 . 0 0 "[ . 1 . 2]" 1
576 1 42 TYR QB 1 63 THR H . . 5.090 3.606 3.294 3.811 . 0 0 "[ . 1 . 2]" 1
577 1 42 TYR QB 1 63 THR MG . . 4.330 3.298 2.528 4.132 . 0 0 "[ . 1 . 2]" 1
578 1 42 TYR QD 1 62 ILE MG . . 4.450 3.362 2.347 4.118 . 0 0 "[ . 1 . 2]" 1
579 1 42 TYR QD 1 63 THR H . . 5.200 4.751 3.913 5.294 0.094 11 0 "[ . 1 . 2]" 1
580 1 42 TYR QD 1 63 THR HA . . 3.580 2.582 2.035 3.197 . 0 0 "[ . 1 . 2]" 1
581 1 42 TYR QD 1 63 THR MG . . 4.070 2.965 2.206 4.003 . 0 0 "[ . 1 . 2]" 1
582 1 42 TYR QE 1 66 GLN HB3 . . 3.910 3.283 2.396 3.990 0.080 3 0 "[ . 1 . 2]" 1
583 1 42 TYR QE 1 66 GLN HG3 . . 4.130 3.695 2.259 4.751 0.621 16 2 "[ . 1 .+ -2]" 1
584 1 43 TYR H 1 43 TYR QD . . 4.320 2.467 2.133 3.251 . 0 0 "[ . 1 . 2]" 1
585 1 43 TYR HA 1 43 TYR QD . . 4.080 3.781 3.708 3.817 . 0 0 "[ . 1 . 2]" 1
586 1 43 TYR HB2 1 44 ARG H . . 4.550 2.405 1.993 2.741 . 0 0 "[ . 1 . 2]" 1
587 1 43 TYR HB3 1 44 ARG H . . 4.580 3.803 3.499 4.071 . 0 0 "[ . 1 . 2]" 1
588 1 43 TYR QE 1 45 PRO HA . . 3.820 2.910 2.301 3.726 . 0 0 "[ . 1 . 2]" 1
589 1 43 TYR QE 1 46 VAL QG . . 4.810 2.581 2.092 4.375 . 0 0 "[ . 1 . 2]" 1
590 1 44 ARG HA 1 45 PRO HD2 . . 4.020 2.519 2.195 3.111 . 0 0 "[ . 1 . 2]" 1
591 1 44 ARG HA 1 45 PRO HD3 . . 3.790 2.410 2.142 2.809 . 0 0 "[ . 1 . 2]" 1
592 1 44 ARG HB2 1 45 PRO HD2 . . 4.560 3.821 2.119 4.393 . 0 0 "[ . 1 . 2]" 1
593 1 44 ARG HB3 1 45 PRO HD3 . . 4.540 4.018 3.378 4.603 0.063 19 0 "[ . 1 . 2]" 1
594 1 44 ARG QG 1 45 PRO HD2 . . 4.580 3.138 2.014 4.460 . 0 0 "[ . 1 . 2]" 1
595 1 44 ARG QG 1 45 PRO HD3 . . 4.620 3.955 2.313 4.708 0.088 7 0 "[ . 1 . 2]" 1
596 1 45 PRO HA 1 46 VAL H . . 3.470 2.281 2.075 2.588 . 0 0 "[ . 1 . 2]" 1
597 1 45 PRO HA 1 46 VAL QG . . 4.770 3.437 3.032 4.199 . 0 0 "[ . 1 . 2]" 1
598 1 46 VAL H 1 46 VAL HB . . 3.890 3.097 2.114 3.930 0.040 17 0 "[ . 1 . 2]" 1
599 1 46 VAL HB 1 98 TYR QD . . 4.470 4.306 3.554 4.581 0.111 18 0 "[ . 1 . 2]" 1
600 1 46 VAL QG 1 47 ASP HA . . 3.870 3.746 3.002 3.907 0.037 16 0 "[ . 1 . 2]" 1
601 1 46 VAL QG 1 98 TYR HA . . 4.480 2.695 1.978 3.148 . 0 0 "[ . 1 . 2]" 1
602 1 46 VAL QG 1 98 TYR HB2 . . 4.690 4.129 3.278 4.799 0.109 16 0 "[ . 1 . 2]" 1
603 1 46 VAL QG 1 98 TYR QD . . 4.870 2.292 1.916 3.074 . 0 0 "[ . 1 . 2]" 1
604 1 46 VAL QG 1 98 TYR QE . . 4.030 2.527 2.080 3.126 . 0 0 "[ . 1 . 2]" 1
605 1 46 VAL QG 1 101 GLU H . . 5.360 4.508 3.689 5.018 . 0 0 "[ . 1 . 2]" 1
606 1 46 VAL QG 1 101 GLU HB3 . . 4.340 3.232 2.199 4.007 . 0 0 "[ . 1 . 2]" 1
607 1 46 VAL QG 1 102 SER HA . . 4.180 2.632 2.069 3.383 . 0 0 "[ . 1 . 2]" 1
608 1 46 VAL QG 1 102 SER QB . . 4.800 3.048 2.012 3.999 . 0 0 "[ . 1 . 2]" 1
609 1 46 VAL QG 1 105 TYR HB2 . . 4.610 3.660 2.219 4.589 . 0 0 "[ . 1 . 2]" 1
610 1 46 VAL QG 1 105 TYR HB3 . . 4.580 3.640 2.422 4.524 . 0 0 "[ . 1 . 2]" 1
611 1 46 VAL QG 1 105 TYR QD . . 4.870 3.536 2.300 4.575 . 0 0 "[ . 1 . 2]" 1
612 1 49 TYR HA 1 49 TYR QD . . 4.200 2.985 2.230 3.806 . 0 0 "[ . 1 . 2]" 1
613 1 51 ASN HA 1 52 GLN H . . 3.560 2.814 2.203 3.614 0.054 20 0 "[ . 1 . 2]" 1
614 1 52 GLN H 1 52 GLN HB2 . . 3.940 3.198 2.188 4.013 0.073 16 0 "[ . 1 . 2]" 1
615 1 52 GLN H 1 52 GLN HB3 . . 3.810 3.277 2.430 3.891 0.081 18 0 "[ . 1 . 2]" 1
616 1 52 GLN H 1 52 GLN HG2 . . 4.970 4.041 2.477 5.140 0.170 5 0 "[ . 1 . 2]" 1
617 1 52 GLN H 1 53 ASN H . . 3.710 2.691 1.854 3.463 . 0 0 "[ . 1 . 2]" 1
618 1 52 GLN H 1 53 ASN QB . . 5.140 4.318 3.623 5.024 . 0 0 "[ . 1 . 2]" 1
619 1 52 GLN HB2 1 53 ASN H . . 4.740 3.510 2.259 4.626 . 0 0 "[ . 1 . 2]" 1
620 1 52 GLN HB3 1 52 GLN HE22 . . 4.970 4.373 3.650 5.410 0.440 5 0 "[ . 1 . 2]" 1
621 1 52 GLN HB3 1 53 ASN H . . 4.000 2.963 2.058 4.127 0.127 6 0 "[ . 1 . 2]" 1
622 1 52 GLN HG2 1 53 ASN H . . 5.350 3.876 2.314 5.180 . 0 0 "[ . 1 . 2]" 1
623 1 53 ASN H 1 53 ASN QB . . 3.240 2.135 1.935 2.520 . 0 0 "[ . 1 . 2]" 1
624 1 53 ASN H 1 53 ASN HD21 . . 4.940 4.056 2.549 4.893 . 0 0 "[ . 1 . 2]" 1
625 1 53 ASN H 1 53 ASN HD22 . . 5.390 5.124 4.115 5.486 0.096 4 0 "[ . 1 . 2]" 1
626 1 53 ASN H 1 54 ASN H . . 3.780 2.765 2.270 3.258 . 0 0 "[ . 1 . 2]" 1
627 1 53 ASN HA 1 53 ASN HD22 . . 5.020 4.029 3.452 4.913 . 0 0 "[ . 1 . 2]" 1
628 1 53 ASN HA 1 56 VAL HB . . 4.270 4.012 3.040 4.370 0.100 20 0 "[ . 1 . 2]" 1
629 1 53 ASN HA 1 56 VAL QG . . 4.680 3.454 2.341 4.492 . 0 0 "[ . 1 . 2]" 1
630 1 53 ASN QB 1 54 ASN H . . 3.860 2.616 1.723 3.239 . 0 0 "[ . 1 . 2]" 1
631 1 53 ASN QB 1 54 ASN HD21 . . 4.900 3.775 3.011 5.416 0.516 13 1 "[ . 1 + . 2]" 1
632 1 54 ASN H 1 54 ASN HB3 . . 3.600 3.559 3.074 3.757 0.157 19 0 "[ . 1 . 2]" 1
633 1 54 ASN H 1 54 ASN HD21 . . 5.240 3.236 2.455 4.538 . 0 0 "[ . 1 . 2]" 1
634 1 54 ASN H 1 54 ASN HD22 . . 5.390 4.050 3.194 4.831 . 0 0 "[ . 1 . 2]" 1
635 1 55 PHE QD 1 98 TYR QD . . 4.540 4.057 3.001 4.643 0.103 17 0 "[ . 1 . 2]" 1
636 1 55 PHE QE 1 98 TYR QD . . 4.640 3.017 2.330 4.096 . 0 0 "[ . 1 . 2]" 1
637 1 55 PHE HZ 1 98 TYR QD . . 4.680 3.671 2.330 4.768 0.088 15 0 "[ . 1 . 2]" 1
638 1 55 PHE HZ 1 98 TYR QE . . 4.630 3.912 2.919 4.727 0.097 8 0 "[ . 1 . 2]" 1
639 1 56 VAL H 1 57 HIS H . . 4.540 2.717 1.781 4.072 . 0 0 "[ . 1 . 2]" 1
640 1 56 VAL HA 1 59 CYS HB3 . . 4.130 3.968 3.304 4.220 0.090 14 0 "[ . 1 . 2]" 1
641 1 56 VAL HA 1 60 VAL H . . 5.090 3.499 2.562 3.904 . 0 0 "[ . 1 . 2]" 1
642 1 56 VAL HA 1 60 VAL QG . . 3.330 2.689 2.086 3.122 . 0 0 "[ . 1 . 2]" 1
643 1 56 VAL HB 1 57 HIS H . . 4.530 3.036 2.137 4.190 . 0 0 "[ . 1 . 2]" 1
644 1 56 VAL QG 1 57 HIS H . . 5.390 2.781 2.094 3.247 . 0 0 "[ . 1 . 2]" 1
645 1 56 VAL QG 1 57 HIS HD2 . . 4.580 3.910 2.993 4.602 0.022 14 0 "[ . 1 . 2]" 1
646 1 56 VAL QG 1 91 GLU HA . . 3.820 3.515 2.817 3.864 0.044 8 0 "[ . 1 . 2]" 1
647 1 56 VAL QG 1 91 GLU HG2 . . 4.250 2.900 1.980 3.951 . 0 0 "[ . 1 . 2]" 1
648 1 56 VAL QG 1 91 GLU HG3 . . 4.090 2.772 2.117 3.578 . 0 0 "[ . 1 . 2]" 1
649 1 57 HIS H 1 57 HIS HB2 . . 4.110 2.331 2.148 2.618 . 0 0 "[ . 1 . 2]" 1
650 1 57 HIS H 1 58 ASP H . . 5.170 3.250 2.358 4.697 . 0 0 "[ . 1 . 2]" 1
651 1 57 HIS HA 1 57 HIS HD2 . . 4.260 2.336 1.980 2.803 . 0 0 "[ . 1 . 2]" 1
652 1 57 HIS HA 1 60 VAL HB . . 4.460 3.809 2.891 4.557 0.097 20 0 "[ . 1 . 2]" 1
653 1 57 HIS HA 1 60 VAL QG . . 4.770 3.588 1.951 4.576 . 0 0 "[ . 1 . 2]" 1
654 1 57 HIS HA 1 61 ASN H . . 4.490 2.631 2.277 2.972 . 0 0 "[ . 1 . 2]" 1
655 1 57 HIS HA 1 61 ASN HB2 . . 4.050 2.452 1.987 2.903 . 0 0 "[ . 1 . 2]" 1
656 1 57 HIS HA 1 61 ASN HB3 . . 3.700 3.512 2.638 3.790 0.090 6 0 "[ . 1 . 2]" 1
657 1 57 HIS HB2 1 57 HIS HD2 . . 3.940 3.699 2.995 3.987 0.047 19 0 "[ . 1 . 2]" 1
658 1 57 HIS HB3 1 59 CYS H . . 5.000 4.871 4.460 5.091 0.091 8 0 "[ . 1 . 2]" 1
659 1 57 HIS HD2 1 61 ASN HA . . 3.940 3.940 3.279 4.038 0.098 16 0 "[ . 1 . 2]" 1
660 1 58 ASP H 1 59 CYS H . . 4.680 2.995 2.366 3.753 . 0 0 "[ . 1 . 2]" 1
661 1 59 CYS H 1 59 CYS HB3 . . 3.660 3.012 2.287 3.735 0.075 11 0 "[ . 1 . 2]" 1
662 1 59 CYS H 1 60 VAL H . . 3.890 2.371 1.793 3.142 . 0 0 "[ . 1 . 2]" 1
663 1 59 CYS HA 1 62 ILE HB . . 4.290 3.855 2.618 4.371 0.081 20 0 "[ . 1 . 2]" 1
664 1 59 CYS HA 1 62 ILE MG . . 4.640 3.690 2.081 4.732 0.092 2 0 "[ . 1 . 2]" 1
665 1 59 CYS HB2 1 60 VAL H . . 4.170 3.722 2.823 4.231 0.061 1 0 "[ . 1 . 2]" 1
666 1 59 CYS HB3 1 60 VAL H . . 4.370 3.015 2.215 4.090 . 0 0 "[ . 1 . 2]" 1
667 1 60 VAL H 1 60 VAL HB . . 3.380 2.659 2.269 3.469 0.089 4 0 "[ . 1 . 2]" 1
668 1 60 VAL H 1 60 VAL QG . . 3.430 2.249 1.951 2.648 . 0 0 "[ . 1 . 2]" 1
669 1 60 VAL H 1 61 ASN H . . 3.620 2.470 2.165 2.651 . 0 0 "[ . 1 . 2]" 1
670 1 60 VAL H 1 61 ASN HB2 . . 4.410 4.494 4.485 4.502 0.092 5 0 "[ . 1 . 2]" 1
671 1 60 VAL HA 1 63 THR HB . . 4.250 2.964 2.478 3.668 . 0 0 "[ . 1 . 2]" 1
672 1 60 VAL HA 1 90 VAL MG1 . . 3.320 2.248 1.895 2.590 . 0 0 "[ . 1 . 2]" 1
673 1 60 VAL HB 1 61 ASN H . . 3.410 2.713 2.110 3.495 0.085 17 0 "[ . 1 . 2]" 1
674 1 60 VAL QG 1 61 ASN H . . 4.230 2.841 2.121 3.269 . 0 0 "[ . 1 . 2]" 1
675 1 60 VAL QG 1 61 ASN HB2 . . 4.540 3.947 2.996 4.439 . 0 0 "[ . 1 . 2]" 1
676 1 60 VAL QG 1 87 GLU HA . . 3.940 2.744 2.220 3.790 . 0 0 "[ . 1 . 2]" 1
677 1 60 VAL QG 1 87 GLU HG2 . . 4.820 2.873 2.087 4.277 . 0 0 "[ . 1 . 2]" 1
678 1 60 VAL QG 1 91 GLU H . . 4.240 2.830 2.528 3.229 . 0 0 "[ . 1 . 2]" 1
679 1 60 VAL QG 1 91 GLU HA . . 3.190 2.008 1.812 2.343 . 0 0 "[ . 1 . 2]" 1
680 1 60 VAL QG 1 91 GLU QB . . 4.060 2.772 2.267 3.449 . 0 0 "[ . 1 . 2]" 1
681 1 60 VAL QG 1 91 GLU HG2 . . 4.080 3.048 2.095 4.060 . 0 0 "[ . 1 . 2]" 1
682 1 60 VAL QG 1 91 GLU HG3 . . 4.130 2.925 2.087 3.945 . 0 0 "[ . 1 . 2]" 1
683 1 60 VAL QG 1 94 CYS HB2 . . 4.410 2.934 2.235 3.569 . 0 0 "[ . 1 . 2]" 1
684 1 60 VAL QG 1 94 CYS HB3 . . 4.730 2.664 2.093 3.308 . 0 0 "[ . 1 . 2]" 1
685 1 61 ASN H 1 61 ASN HB2 . . 3.190 2.265 2.117 2.494 . 0 0 "[ . 1 . 2]" 1
686 1 61 ASN H 1 61 ASN HB3 . . 3.410 2.708 2.426 2.986 . 0 0 "[ . 1 . 2]" 1
687 1 61 ASN H 1 62 ILE H . . 3.910 2.950 2.806 3.183 . 0 0 "[ . 1 . 2]" 1
688 1 61 ASN H 1 63 THR H . . 5.000 4.321 4.148 4.626 . 0 0 "[ . 1 . 2]" 1
689 1 61 ASN HA 1 61 ASN HD21 . . 4.870 2.867 1.929 4.241 . 0 0 "[ . 1 . 2]" 1
690 1 61 ASN HA 1 63 THR H . . 4.890 4.585 4.251 4.904 0.014 19 0 "[ . 1 . 2]" 1
691 1 61 ASN HA 1 64 VAL HB . . 4.310 3.807 2.515 4.420 0.110 2 0 "[ . 1 . 2]" 1
692 1 61 ASN HA 1 64 VAL QG . . 3.990 2.532 1.832 3.714 . 0 0 "[ . 1 . 2]" 1
693 1 61 ASN HA 1 65 ARG QD . . 4.510 4.206 3.175 4.610 0.100 13 0 "[ . 1 . 2]" 1
694 1 61 ASN HB2 1 62 ILE H . . 4.680 3.619 3.311 3.868 . 0 0 "[ . 1 . 2]" 1
695 1 61 ASN HB3 1 62 ILE H . . 4.380 2.330 2.110 2.524 . 0 0 "[ . 1 . 2]" 1
696 1 61 ASN HB3 1 62 ILE MD . . 4.620 4.171 2.286 4.734 0.114 12 0 "[ . 1 . 2]" 1
697 1 61 ASN HB3 1 63 THR H . . 4.900 4.926 4.799 4.976 0.076 15 0 "[ . 1 . 2]" 1
698 1 61 ASN HD21 1 62 ILE H . . 5.500 4.243 3.369 5.205 . 0 0 "[ . 1 . 2]" 1
699 1 61 ASN HD21 1 64 VAL QG . . 5.500 3.883 2.387 4.932 . 0 0 "[ . 1 . 2]" 1
700 1 61 ASN HD21 1 65 ARG H . . 5.090 4.319 2.635 5.227 0.137 5 0 "[ . 1 . 2]" 1
701 1 61 ASN HD21 1 65 ARG QD . . 5.170 2.851 2.119 3.733 . 0 0 "[ . 1 . 2]" 1
702 1 61 ASN HD22 1 62 ILE H . . 5.210 5.318 4.894 5.580 0.370 5 0 "[ . 1 . 2]" 1
703 1 61 ASN HD22 1 62 ILE MD . . 5.500 5.017 3.672 5.582 0.082 13 0 "[ . 1 . 2]" 1
704 1 61 ASN HD22 1 65 ARG H . . 5.180 4.917 3.891 5.254 0.074 10 0 "[ . 1 . 2]" 1
705 1 62 ILE H 1 62 ILE HB . . 4.090 2.302 2.053 2.734 . 0 0 "[ . 1 . 2]" 1
706 1 62 ILE H 1 62 ILE HG12 . . 4.730 3.504 2.091 4.722 . 0 0 "[ . 1 . 2]" 1
707 1 62 ILE H 1 62 ILE HG13 . . 4.730 4.153 3.008 4.706 . 0 0 "[ . 1 . 2]" 1
708 1 62 ILE H 1 63 THR H . . 3.860 2.812 2.554 3.067 . 0 0 "[ . 1 . 2]" 1
709 1 62 ILE HA 1 62 ILE MD . . 3.340 2.072 1.932 3.325 . 0 0 "[ . 1 . 2]" 1
710 1 62 ILE HA 1 65 ARG H . . 4.400 3.580 3.024 4.181 . 0 0 "[ . 1 . 2]" 1
711 1 62 ILE HA 1 65 ARG HB2 . . 4.160 3.147 2.090 5.135 0.975 7 5 "[ . + 1 -* . **2]" 1
712 1 62 ILE HA 1 65 ARG QG . . 4.270 3.427 2.136 4.195 . 0 0 "[ . 1 . 2]" 1
713 1 62 ILE HA 1 66 GLN H . . 4.960 3.867 3.317 4.372 . 0 0 "[ . 1 . 2]" 1
714 1 62 ILE HB 1 63 THR H . . 4.010 3.284 2.498 4.073 0.063 14 0 "[ . 1 . 2]" 1
715 1 62 ILE MD 1 64 VAL H . . 5.500 5.597 5.544 5.615 0.115 10 0 "[ . 1 . 2]" 1
716 1 62 ILE MD 1 65 ARG QD . . 4.460 3.273 2.248 4.564 0.104 4 0 "[ . 1 . 2]" 1
717 1 62 ILE MG 1 63 THR H . . 4.260 2.754 1.891 3.530 . 0 0 "[ . 1 . 2]" 1
718 1 62 ILE MG 1 63 THR HA . . 4.260 3.326 3.029 3.673 . 0 0 "[ . 1 . 2]" 1
719 1 63 THR H 1 63 THR HB . . 3.430 2.520 2.321 2.860 . 0 0 "[ . 1 . 2]" 1
720 1 63 THR H 1 63 THR HG1 . . 3.290 2.354 2.112 2.808 . 0 0 "[ . 1 . 2]" 1
721 1 63 THR H 1 63 THR MG . . 4.740 3.720 3.555 3.794 . 0 0 "[ . 1 . 2]" 1
722 1 63 THR H 1 64 VAL H . . 3.550 2.719 2.496 2.857 . 0 0 "[ . 1 . 2]" 1
723 1 63 THR H 1 64 VAL QG . . 4.740 4.014 3.399 4.573 . 0 0 "[ . 1 . 2]" 1
724 1 63 THR H 1 90 VAL MG1 . . 5.010 3.813 3.349 4.179 . 0 0 "[ . 1 . 2]" 1
725 1 63 THR HA 1 63 THR MG . . 3.560 2.338 2.186 2.495 . 0 0 "[ . 1 . 2]" 1
726 1 63 THR HB 1 64 VAL H . . 3.840 2.901 2.518 3.536 . 0 0 "[ . 1 . 2]" 1
727 1 63 THR HB 1 64 VAL QG . . 4.560 3.431 3.193 3.766 . 0 0 "[ . 1 . 2]" 1
728 1 63 THR HB 1 90 VAL MG1 . . 3.470 2.006 1.885 2.307 . 0 0 "[ . 1 . 2]" 1
729 1 63 THR HB 1 90 VAL MG2 . . 4.490 3.714 2.932 4.440 . 0 0 "[ . 1 . 2]" 1
730 1 63 THR HG1 1 64 VAL H . . 4.610 4.434 4.188 4.681 0.071 15 0 "[ . 1 . 2]" 1
731 1 63 THR MG 1 64 VAL H . . 4.780 3.803 3.188 4.294 . 0 0 "[ . 1 . 2]" 1
732 1 63 THR MG 1 64 VAL HA . . 4.730 3.850 3.282 4.370 . 0 0 "[ . 1 . 2]" 1
733 1 63 THR MG 1 64 VAL QG . . 4.820 3.704 3.026 4.182 . 0 0 "[ . 1 . 2]" 1
734 1 63 THR MG 1 90 VAL HB . . 4.690 4.485 3.841 4.808 0.118 12 0 "[ . 1 . 2]" 1
735 1 63 THR MG 1 90 VAL MG1 . . 3.980 2.192 1.961 2.546 . 0 0 "[ . 1 . 2]" 1
736 1 63 THR MG 1 90 VAL MG2 . . 3.910 2.813 2.112 3.327 . 0 0 "[ . 1 . 2]" 1
737 1 64 VAL H 1 64 VAL HB . . 3.260 2.918 2.108 3.362 0.102 20 0 "[ . 1 . 2]" 1
738 1 64 VAL H 1 64 VAL QG . . 3.570 2.262 1.752 2.821 . 0 0 "[ . 1 . 2]" 1
739 1 64 VAL H 1 65 ARG H . . 3.570 2.549 2.227 2.909 . 0 0 "[ . 1 . 2]" 1
740 1 64 VAL H 1 90 VAL MG1 . . 4.860 3.177 2.400 3.624 . 0 0 "[ . 1 . 2]" 1
741 1 64 VAL HA 1 64 VAL QG . . 3.160 2.191 2.040 2.642 . 0 0 "[ . 1 . 2]" 1
742 1 64 VAL HA 1 67 HIS H . . 4.610 3.795 3.235 4.662 0.052 7 0 "[ . 1 . 2]" 1
743 1 64 VAL HA 1 67 HIS QB . . 4.070 3.058 2.309 3.579 . 0 0 "[ . 1 . 2]" 1
744 1 64 VAL HA 1 68 THR MG . . 4.600 4.404 3.908 4.681 0.081 11 0 "[ . 1 . 2]" 1
745 1 64 VAL HA 1 83 MET ME . . 4.820 4.662 4.364 4.914 0.094 11 0 "[ . 1 . 2]" 1
746 1 64 VAL HB 1 65 ARG H . . 3.690 3.352 2.658 3.793 0.103 13 0 "[ . 1 . 2]" 1
747 1 64 VAL HB 1 83 MET ME . . 3.810 3.384 2.459 3.926 0.116 19 0 "[ . 1 . 2]" 1
748 1 64 VAL HB 1 87 GLU HA . . 4.310 4.327 3.642 4.410 0.100 6 0 "[ . 1 . 2]" 1
749 1 64 VAL QG 1 65 ARG H . . 4.520 2.580 2.022 3.211 . 0 0 "[ . 1 . 2]" 1
750 1 64 VAL QG 1 65 ARG QG . . 5.500 4.035 2.643 4.841 . 0 0 "[ . 1 . 2]" 1
751 1 64 VAL QG 1 83 MET ME . . 3.440 2.323 1.787 3.192 . 0 0 "[ . 1 . 2]" 1
752 1 64 VAL QG 1 86 MET ME . . 3.330 2.157 1.829 2.522 . 0 0 "[ . 1 . 2]" 1
753 1 64 VAL QG 1 87 GLU H . . 5.320 3.302 2.864 4.017 . 0 0 "[ . 1 . 2]" 1
754 1 64 VAL QG 1 87 GLU HA . . 3.960 2.252 2.026 2.985 . 0 0 "[ . 1 . 2]" 1
755 1 64 VAL QG 1 87 GLU HB2 . . 4.340 3.895 3.238 4.181 . 0 0 "[ . 1 . 2]" 1
756 1 64 VAL QG 1 87 GLU HG2 . . 4.280 2.263 1.906 3.780 . 0 0 "[ . 1 . 2]" 1
757 1 64 VAL QG 1 87 GLU HG3 . . 4.480 2.542 2.010 3.431 . 0 0 "[ . 1 . 2]" 1
758 1 64 VAL QG 1 90 VAL HA . . 4.730 4.597 4.408 4.772 0.042 13 0 "[ . 1 . 2]" 1
759 1 64 VAL QG 1 90 VAL HB . . 4.240 2.396 2.162 2.694 . 0 0 "[ . 1 . 2]" 1
760 1 65 ARG H 1 65 ARG HB2 . . 3.250 2.548 2.052 3.687 0.437 13 0 "[ . 1 . 2]" 1
761 1 65 ARG H 1 65 ARG QG . . 4.400 3.070 2.237 3.991 . 0 0 "[ . 1 . 2]" 1
762 1 65 ARG H 1 66 GLN H . . 3.720 2.948 2.809 3.320 . 0 0 "[ . 1 . 2]" 1
763 1 65 ARG HA 1 65 ARG QD . . 4.170 3.551 2.188 4.244 0.074 19 0 "[ . 1 . 2]" 1
764 1 65 ARG HA 1 65 ARG QG . . 3.810 2.610 2.168 3.360 . 0 0 "[ . 1 . 2]" 1
765 1 65 ARG HA 1 68 THR H . . 4.670 3.471 3.170 3.973 . 0 0 "[ . 1 . 2]" 1
766 1 65 ARG HA 1 68 THR MG . . 4.400 2.119 1.877 2.465 . 0 0 "[ . 1 . 2]" 1
767 1 65 ARG HA 1 69 VAL QG . . 4.500 3.265 2.321 4.056 . 0 0 "[ . 1 . 2]" 1
768 1 65 ARG HB2 1 65 ARG QD . . 3.660 2.434 2.104 2.773 . 0 0 "[ . 1 . 2]" 1
769 1 65 ARG HB2 1 68 THR MG . . 4.790 4.461 3.375 5.052 0.262 16 0 "[ . 1 . 2]" 1
770 1 65 ARG HB3 1 65 ARG QD . . 3.880 2.871 2.166 3.511 . 0 0 "[ . 1 . 2]" 1
771 1 65 ARG QG 1 69 VAL QG . . 4.720 3.237 2.198 4.538 . 0 0 "[ . 1 . 2]" 1
772 1 66 GLN H 1 66 GLN HB2 . . 3.930 2.265 2.057 2.565 . 0 0 "[ . 1 . 2]" 1
773 1 66 GLN H 1 66 GLN HB3 . . 3.430 3.084 2.616 3.632 0.202 2 0 "[ . 1 . 2]" 1
774 1 66 GLN H 1 67 HIS H . . 3.870 2.962 2.684 3.301 . 0 0 "[ . 1 . 2]" 1
775 1 66 GLN H 1 68 THR H . . 4.900 4.424 4.247 4.621 . 0 0 "[ . 1 . 2]" 1
776 1 66 GLN HA 1 66 GLN HE21 . . 5.360 3.990 1.810 5.039 . 0 0 "[ . 1 . 2]" 1
777 1 66 GLN HA 1 66 GLN HG3 . . 4.200 3.352 2.513 3.805 . 0 0 "[ . 1 . 2]" 1
778 1 66 GLN HA 1 67 HIS HA . . 4.460 4.446 4.233 4.560 0.100 3 0 "[ . 1 . 2]" 1
779 1 66 GLN HA 1 69 VAL QG . . 4.000 3.329 2.292 4.013 0.013 13 0 "[ . 1 . 2]" 1
780 1 66 GLN HB2 1 66 GLN HE22 . . 5.340 4.878 3.661 5.367 0.027 15 0 "[ . 1 . 2]" 1
781 1 66 GLN HB2 1 67 HIS H . . 4.660 4.089 2.760 4.583 . 0 0 "[ . 1 . 2]" 1
782 1 66 GLN HB3 1 67 HIS H . . 4.390 3.900 2.862 4.453 0.063 15 0 "[ . 1 . 2]" 1
783 1 66 GLN HB3 1 67 HIS QB . . 4.360 4.400 3.815 5.005 0.645 9 2 "[ -. +1 . 2]" 1
784 1 67 HIS H 1 67 HIS QB . . 3.320 2.481 2.109 2.893 . 0 0 "[ . 1 . 2]" 1
785 1 67 HIS HA 1 70 THR H . . 4.620 4.164 3.626 4.700 0.080 16 0 "[ . 1 . 2]" 1
786 1 67 HIS HA 1 70 THR HB . . 4.200 3.542 2.782 4.277 0.077 12 0 "[ . 1 . 2]" 1
787 1 67 HIS HA 1 70 THR MG . . 4.610 3.779 2.072 4.709 0.099 15 0 "[ . 1 . 2]" 1
788 1 67 HIS QB 1 67 HIS HD2 . . 3.490 2.527 2.421 2.638 . 0 0 "[ . 1 . 2]" 1
789 1 67 HIS QB 1 68 THR H . . 4.090 3.014 2.417 3.835 . 0 0 "[ . 1 . 2]" 1
790 1 67 HIS QB 1 68 THR HB . . 4.240 3.856 3.165 4.324 0.084 11 0 "[ . 1 . 2]" 1
791 1 68 THR H 1 68 THR HB . . 3.820 2.730 2.294 3.096 . 0 0 "[ . 1 . 2]" 1
792 1 68 THR H 1 68 THR MG . . 4.280 2.251 1.922 2.571 . 0 0 "[ . 1 . 2]" 1
793 1 68 THR H 1 69 VAL H . . 3.490 2.323 1.923 2.639 . 0 0 "[ . 1 . 2]" 1
794 1 68 THR H 1 69 VAL QG . . 5.500 3.793 3.141 4.269 . 0 0 "[ . 1 . 2]" 1
795 1 68 THR H 1 70 THR H . . 3.600 3.655 3.305 3.694 0.094 7 0 "[ . 1 . 2]" 1
796 1 68 THR HA 1 68 THR MG . . 3.310 3.270 3.226 3.301 . 0 0 "[ . 1 . 2]" 1
797 1 68 THR HA 1 71 THR H . . 3.180 3.235 3.122 3.274 0.094 9 0 "[ . 1 . 2]" 1
798 1 68 THR HA 1 78 PHE QD . . 4.510 3.911 2.742 4.590 0.080 15 0 "[ . 1 . 2]" 1
799 1 68 THR HB 1 69 VAL H . . 3.900 3.942 3.851 3.988 0.088 13 0 "[ . 1 . 2]" 1
800 1 68 THR HB 1 86 MET ME . . 4.650 2.061 1.914 2.404 . 0 0 "[ . 1 . 2]" 1
801 1 68 THR MG 1 69 VAL H . . 4.680 2.227 1.910 2.453 . 0 0 "[ . 1 . 2]" 1
802 1 68 THR MG 1 72 THR H . . 5.450 4.753 4.188 4.933 . 0 0 "[ . 1 . 2]" 1
803 1 68 THR MG 1 78 PHE QD . . 4.390 4.342 3.701 4.489 0.099 18 0 "[ . 1 . 2]" 1
804 1 68 THR MG 1 86 MET ME . . 3.840 2.854 2.274 3.314 . 0 0 "[ . 1 . 2]" 1
805 1 69 VAL H 1 69 VAL HB . . 3.210 2.418 2.023 2.824 . 0 0 "[ . 1 . 2]" 1
806 1 69 VAL H 1 69 VAL QG . . 3.560 2.286 1.912 2.748 . 0 0 "[ . 1 . 2]" 1
807 1 69 VAL HA 1 69 VAL QG . . 2.950 2.125 2.074 2.210 . 0 0 "[ . 1 . 2]" 1
808 1 69 VAL HA 1 70 THR H . . 3.430 3.464 3.337 3.511 0.081 3 0 "[ . 1 . 2]" 1
809 1 69 VAL HA 1 71 THR H . . 5.150 4.166 3.726 5.023 . 0 0 "[ . 1 . 2]" 1
810 1 69 VAL HA 1 72 THR H . . 4.760 3.440 2.937 3.967 . 0 0 "[ . 1 . 2]" 1
811 1 69 VAL HA 1 72 THR HB . . 3.920 3.236 2.266 4.023 0.103 1 0 "[ . 1 . 2]" 1
812 1 69 VAL HA 1 72 THR MG . . 4.800 4.008 2.965 4.703 . 0 0 "[ . 1 . 2]" 1
813 1 69 VAL HA 1 73 THR H . . 5.010 3.759 3.286 4.250 . 0 0 "[ . 1 . 2]" 1
814 1 69 VAL HB 1 70 THR H . . 3.440 3.185 2.674 3.536 0.096 2 0 "[ . 1 . 2]" 1
815 1 69 VAL QG 1 70 THR H . . 4.360 2.801 1.853 3.639 . 0 0 "[ . 1 . 2]" 1
816 1 69 VAL QG 1 70 THR HA . . 4.270 3.468 2.852 4.160 . 0 0 "[ . 1 . 2]" 1
817 1 69 VAL QG 1 72 THR HB . . 4.750 4.037 3.102 4.609 . 0 0 "[ . 1 . 2]" 1
818 1 69 VAL QG 1 73 THR HB . . 4.770 3.428 2.657 4.170 . 0 0 "[ . 1 . 2]" 1
819 1 69 VAL QG 1 73 THR MG . . 4.500 3.635 3.185 4.498 . 0 0 "[ . 1 . 2]" 1
820 1 70 THR H 1 70 THR HB . . 3.340 2.496 2.058 3.023 . 0 0 "[ . 1 . 2]" 1
821 1 70 THR H 1 70 THR MG . . 3.900 3.323 2.031 3.855 . 0 0 "[ . 1 . 2]" 1
822 1 70 THR MG 1 71 THR H . . 4.470 3.437 2.127 4.412 . 0 0 "[ . 1 . 2]" 1
823 1 71 THR H 1 71 THR MG . . 3.770 3.775 3.575 3.850 0.080 17 0 "[ . 1 . 2]" 1
824 1 71 THR H 1 72 THR H . . 3.290 2.268 1.976 2.866 . 0 0 "[ . 1 . 2]" 1
825 1 71 THR H 1 72 THR HB . . 5.330 4.917 4.223 5.411 0.081 8 0 "[ . 1 . 2]" 1
826 1 71 THR H 1 74 LYS H . . 4.620 4.670 4.401 4.707 0.087 1 0 "[ . 1 . 2]" 1
827 1 71 THR HA 1 71 THR MG . . 3.460 2.312 2.207 2.442 . 0 0 "[ . 1 . 2]" 1
828 1 71 THR HA 1 72 THR HA . . 4.400 4.498 4.490 4.503 0.103 18 0 "[ . 1 . 2]" 1
829 1 71 THR HA 1 74 LYS HB2 . . 3.920 2.562 2.288 3.018 . 0 0 "[ . 1 . 2]" 1
830 1 71 THR HA 1 74 LYS HB3 . . 4.220 4.135 3.868 4.285 0.065 4 0 "[ . 1 . 2]" 1
831 1 71 THR HB 1 72 THR H . . 3.280 2.849 2.513 3.119 . 0 0 "[ . 1 . 2]" 1
832 1 71 THR HB 1 76 GLU HB3 . . 3.960 3.440 2.853 3.954 . 0 0 "[ . 1 . 2]" 1
833 1 71 THR HB 1 76 GLU QG . . 4.220 3.730 2.780 4.292 0.072 11 0 "[ . 1 . 2]" 1
834 1 71 THR HB 1 78 PHE QD . . 4.150 3.788 2.508 4.236 0.086 4 0 "[ . 1 . 2]" 1
835 1 71 THR MG 1 72 THR H . . 4.570 3.947 3.717 4.147 . 0 0 "[ . 1 . 2]" 1
836 1 71 THR MG 1 72 THR HA . . 4.830 3.938 3.655 4.364 . 0 0 "[ . 1 . 2]" 1
837 1 71 THR MG 1 76 GLU H . . 5.370 4.655 3.849 5.146 . 0 0 "[ . 1 . 2]" 1
838 1 71 THR MG 1 76 GLU HB2 . . 4.610 2.376 2.115 2.996 . 0 0 "[ . 1 . 2]" 1
839 1 71 THR MG 1 76 GLU HB3 . . 4.060 2.673 2.170 3.342 . 0 0 "[ . 1 . 2]" 1
840 1 71 THR MG 1 77 ASN H . . 5.410 5.139 4.432 5.479 0.069 20 0 "[ . 1 . 2]" 1
841 1 71 THR MG 1 78 PHE QD . . 4.540 4.102 3.449 4.587 0.047 13 0 "[ . 1 . 2]" 1
842 1 72 THR H 1 72 THR HB . . 3.490 2.840 2.424 3.451 . 0 0 "[ . 1 . 2]" 1
843 1 72 THR H 1 72 THR MG . . 3.800 3.353 2.336 3.777 . 0 0 "[ . 1 . 2]" 1
844 1 72 THR H 1 73 THR H . . 3.680 2.738 2.608 2.899 . 0 0 "[ . 1 . 2]" 1
845 1 72 THR HA 1 72 THR MG . . 3.460 2.446 2.161 2.571 . 0 0 "[ . 1 . 2]" 1
846 1 72 THR HA 1 76 GLU H . . 4.160 2.509 2.220 3.007 . 0 0 "[ . 1 . 2]" 1
847 1 72 THR HA 1 76 GLU QG . . 4.380 4.144 3.451 4.463 0.083 19 0 "[ . 1 . 2]" 1
848 1 72 THR HB 1 73 THR H . . 3.200 2.973 2.616 3.291 0.091 8 0 "[ . 1 . 2]" 1
849 1 72 THR MG 1 76 GLU HA . . 4.810 4.838 4.628 4.925 0.115 13 0 "[ . 1 . 2]" 1
850 1 72 THR MG 1 76 GLU QG . . 4.980 4.391 2.032 4.913 . 0 0 "[ . 1 . 2]" 1
851 1 72 THR MG 1 77 ASN HA . . 4.720 2.502 1.992 4.837 0.117 17 0 "[ . 1 . 2]" 1
852 1 72 THR MG 1 78 PHE QD . . 4.720 3.956 2.769 4.832 0.112 18 0 "[ . 1 . 2]" 1
853 1 73 THR H 1 73 THR HB . . 3.380 2.298 2.123 2.477 . 0 0 "[ . 1 . 2]" 1
854 1 73 THR H 1 73 THR MG . . 3.780 2.500 2.177 3.668 . 0 0 "[ . 1 . 2]" 1
855 1 73 THR H 1 74 LYS H . . 3.360 2.729 2.516 2.917 . 0 0 "[ . 1 . 2]" 1
856 1 73 THR H 1 74 LYS HB2 . . 5.190 4.826 4.405 5.132 . 0 0 "[ . 1 . 2]" 1
857 1 73 THR MG 1 74 LYS H . . 4.870 2.702 2.247 3.362 . 0 0 "[ . 1 . 2]" 1
858 1 73 THR MG 1 74 LYS QD . . 4.290 3.664 1.939 4.410 0.120 14 0 "[ . 1 . 2]" 1
859 1 73 THR MG 1 74 LYS QE . . 4.480 3.590 2.322 4.578 0.098 7 0 "[ . 1 . 2]" 1
860 1 73 THR MG 1 74 LYS HG2 . . 4.370 3.419 2.532 4.482 0.112 5 0 "[ . 1 . 2]" 1
861 1 73 THR MG 1 74 LYS HG3 . . 4.020 3.289 2.150 4.129 0.109 19 0 "[ . 1 . 2]" 1
862 1 74 LYS H 1 74 LYS HB2 . . 3.540 2.367 2.176 2.610 . 0 0 "[ . 1 . 2]" 1
863 1 74 LYS H 1 74 LYS HG2 . . 4.710 3.737 2.634 4.543 . 0 0 "[ . 1 . 2]" 1
864 1 74 LYS H 1 75 GLY H . . 3.530 2.632 2.222 3.065 . 0 0 "[ . 1 . 2]" 1
865 1 74 LYS HA 1 74 LYS QD . . 4.080 3.069 2.050 4.065 . 0 0 "[ . 1 . 2]" 1
866 1 74 LYS HA 1 74 LYS HG2 . . 3.830 2.713 2.197 3.586 . 0 0 "[ . 1 . 2]" 1
867 1 74 LYS HA 1 74 LYS HG3 . . 3.920 3.066 2.199 3.784 . 0 0 "[ . 1 . 2]" 1
868 1 74 LYS HA 1 75 GLY H . . 3.390 3.226 2.638 3.474 0.084 19 0 "[ . 1 . 2]" 1
869 1 74 LYS HA 1 75 GLY HA3 . . 4.440 4.416 4.005 4.526 0.086 19 0 "[ . 1 . 2]" 1
870 1 74 LYS HB2 1 75 GLY H . . 4.540 3.812 2.742 4.486 . 0 0 "[ . 1 . 2]" 1
871 1 74 LYS HB3 1 75 GLY H . . 4.750 4.165 2.687 4.516 . 0 0 "[ . 1 . 2]" 1
872 1 74 LYS QD 1 74 LYS HG2 . . 2.740 2.391 2.283 2.530 . 0 0 "[ . 1 . 2]" 1
873 1 74 LYS QE 1 74 LYS HG2 . . 3.700 2.449 2.247 3.165 . 0 0 "[ . 1 . 2]" 1
874 1 74 LYS QE 1 74 LYS HG3 . . 3.750 2.535 2.211 3.031 . 0 0 "[ . 1 . 2]" 1
875 1 75 GLY H 1 76 GLU H . . 3.410 2.789 2.226 3.384 . 0 0 "[ . 1 . 2]" 1
876 1 76 GLU HA 1 76 GLU QG . . 3.300 2.818 2.261 3.355 0.055 17 0 "[ . 1 . 2]" 1
877 1 76 GLU HA 1 77 ASN H . . 2.780 2.585 2.326 2.783 0.003 10 0 "[ . 1 . 2]" 1
878 1 76 GLU HB3 1 77 ASN H . . 3.500 3.376 2.994 4.165 0.665 17 1 "[ . 1 . + 2]" 1
879 1 76 GLU HB3 1 77 ASN HA . . 4.450 4.139 3.635 4.877 0.427 17 0 "[ . 1 . 2]" 1
880 1 76 GLU HB3 1 78 PHE H . . 4.810 4.277 3.153 4.875 0.065 10 0 "[ . 1 . 2]" 1
881 1 76 GLU QG 1 77 ASN H . . 4.040 2.105 1.719 2.676 . 0 0 "[ . 1 . 2]" 1
882 1 76 GLU QG 1 78 PHE HA . . 4.440 4.031 3.109 4.529 0.089 7 0 "[ . 1 . 2]" 1
883 1 76 GLU QG 1 78 PHE QD . . 4.390 3.070 2.151 4.294 . 0 0 "[ . 1 . 2]" 1
884 1 77 ASN H 1 77 ASN HB2 . . 3.590 3.291 2.671 3.644 0.054 12 0 "[ . 1 . 2]" 1
885 1 77 ASN H 1 77 ASN HB3 . . 3.380 3.129 2.841 3.639 0.259 1 0 "[ . 1 . 2]" 1
886 1 77 ASN H 1 77 ASN HD21 . . 5.090 4.899 3.768 5.171 0.081 13 0 "[ . 1 . 2]" 1
887 1 77 ASN H 1 78 PHE H . . 3.670 3.395 2.201 3.751 0.081 10 0 "[ . 1 . 2]" 1
888 1 77 ASN HA 1 78 PHE H . . 2.820 2.215 2.012 2.903 0.083 1 0 "[ . 1 . 2]" 1
889 1 77 ASN HA 1 78 PHE QD . . 4.480 3.896 3.301 4.561 0.081 1 0 "[ . 1 . 2]" 1
890 1 77 ASN HB2 1 78 PHE H . . 4.440 4.426 4.151 4.518 0.078 14 0 "[ . 1 . 2]" 1
891 1 77 ASN HB3 1 78 PHE H . . 4.180 4.224 4.047 4.270 0.090 7 0 "[ . 1 . 2]" 1
892 1 78 PHE H 1 78 PHE HB2 . . 3.290 2.482 2.187 3.264 . 0 0 "[ . 1 . 2]" 1
893 1 78 PHE H 1 78 PHE HB3 . . 3.810 3.631 3.393 3.898 0.088 1 0 "[ . 1 . 2]" 1
894 1 78 PHE H 1 78 PHE QD . . 4.500 2.659 2.098 3.294 . 0 0 "[ . 1 . 2]" 1
895 1 78 PHE H 1 79 THR H . . 4.940 4.072 3.477 4.370 . 0 0 "[ . 1 . 2]" 1
896 1 78 PHE H 1 79 THR HA . . 5.180 5.167 4.817 5.262 0.082 8 0 "[ . 1 . 2]" 1
897 1 78 PHE HA 1 78 PHE QD . . 3.290 2.975 2.643 3.179 . 0 0 "[ . 1 . 2]" 1
898 1 78 PHE HA 1 79 THR H . . 3.220 2.221 2.113 2.319 . 0 0 "[ . 1 . 2]" 1
899 1 78 PHE HA 1 82 ASP HB2 . . 4.450 3.635 2.864 4.428 . 0 0 "[ . 1 . 2]" 1
900 1 78 PHE HA 1 83 MET H . . 4.880 4.765 4.418 4.956 0.076 2 0 "[ . 1 . 2]" 1
901 1 78 PHE HA 1 83 MET QG . . 4.390 4.225 3.936 4.476 0.086 4 0 "[ . 1 . 2]" 1
902 1 78 PHE HB2 1 83 MET ME . . 4.260 4.096 3.092 4.353 0.093 18 0 "[ . 1 . 2]" 1
903 1 78 PHE HB2 1 83 MET QG . . 4.430 3.039 2.474 3.698 . 0 0 "[ . 1 . 2]" 1
904 1 78 PHE HB3 1 79 THR H . . 4.170 3.972 3.717 4.244 0.074 8 0 "[ . 1 . 2]" 1
905 1 78 PHE HB3 1 83 MET ME . . 4.680 3.735 3.009 4.455 . 0 0 "[ . 1 . 2]" 1
906 1 78 PHE HB3 1 83 MET QG . . 4.520 2.156 1.944 2.585 . 0 0 "[ . 1 . 2]" 1
907 1 78 PHE HB3 1 86 MET ME . . 4.740 3.947 2.941 4.646 . 0 0 "[ . 1 . 2]" 1
908 1 78 PHE QD 1 79 THR H . . 4.760 4.668 4.295 4.835 0.075 16 0 "[ . 1 . 2]" 1
909 1 78 PHE QD 1 83 MET ME . . 3.570 3.597 3.212 3.690 0.120 6 0 "[ . 1 . 2]" 1
910 1 78 PHE QD 1 83 MET QG . . 4.580 3.042 2.189 3.823 . 0 0 "[ . 1 . 2]" 1
911 1 78 PHE QD 1 86 MET HB2 . . 4.550 4.007 3.290 4.650 0.100 13 0 "[ . 1 . 2]" 1
912 1 78 PHE QD 1 86 MET ME . . 4.470 2.717 1.970 3.832 . 0 0 "[ . 1 . 2]" 1
913 1 78 PHE QE 1 86 MET ME . . 4.930 2.912 2.062 3.845 . 0 0 "[ . 1 . 2]" 1
914 1 78 PHE QE 1 86 MET HG2 . . 4.220 3.927 3.114 4.312 0.092 6 0 "[ . 1 . 2]" 1
915 1 79 THR H 1 79 THR HB . . 4.000 2.880 2.620 3.362 . 0 0 "[ . 1 . 2]" 1
916 1 79 THR H 1 79 THR MG . . 3.860 3.587 2.547 3.808 . 0 0 "[ . 1 . 2]" 1
917 1 79 THR H 1 80 GLU H . . 5.040 4.635 4.536 4.724 . 0 0 "[ . 1 . 2]" 1
918 1 79 THR H 1 82 ASP H . . 4.550 4.088 3.691 4.492 . 0 0 "[ . 1 . 2]" 1
919 1 79 THR H 1 82 ASP HB2 . . 4.390 3.192 2.450 3.742 . 0 0 "[ . 1 . 2]" 1
920 1 79 THR H 1 82 ASP HB3 . . 3.810 3.305 2.814 3.840 0.030 18 0 "[ . 1 . 2]" 1
921 1 79 THR HA 1 79 THR HB . . 2.950 2.988 2.752 3.018 0.068 4 0 "[ . 1 . 2]" 1
922 1 79 THR HA 1 79 THR MG . . 3.130 2.289 2.160 2.446 . 0 0 "[ . 1 . 2]" 1
923 1 79 THR HA 1 80 GLU H . . 3.250 2.500 2.347 2.686 . 0 0 "[ . 1 . 2]" 1
924 1 79 THR HA 1 81 THR H . . 5.100 4.711 4.418 4.994 . 0 0 "[ . 1 . 2]" 1
925 1 79 THR HB 1 80 GLU H . . 3.100 3.148 2.776 3.191 0.091 7 0 "[ . 1 . 2]" 1
926 1 79 THR HB 1 81 THR H . . 3.140 3.085 2.733 3.219 0.079 19 0 "[ . 1 . 2]" 1
927 1 79 THR HB 1 82 ASP H . . 3.410 3.040 2.407 3.368 . 0 0 "[ . 1 . 2]" 1
928 1 79 THR HB 1 82 ASP HB2 . . 3.730 3.527 2.863 3.808 0.078 18 0 "[ . 1 . 2]" 1
929 1 79 THR MG 1 80 GLU H . . 4.700 2.006 1.796 3.404 . 0 0 "[ . 1 . 2]" 1
930 1 79 THR MG 1 81 THR H . . 5.420 3.212 2.299 4.395 . 0 0 "[ . 1 . 2]" 1
931 1 79 THR MG 1 81 THR HB . . 4.520 4.287 3.460 4.624 0.104 18 0 "[ . 1 . 2]" 1
932 1 80 GLU H 1 80 GLU HB2 . . 3.350 2.546 2.065 3.598 0.248 20 0 "[ . 1 . 2]" 1
933 1 80 GLU H 1 80 GLU HB3 . . 3.560 2.649 2.335 3.596 0.036 1 0 "[ . 1 . 2]" 1
934 1 80 GLU H 1 80 GLU HG2 . . 4.570 4.118 2.052 4.621 0.051 2 0 "[ . 1 . 2]" 1
935 1 80 GLU H 1 80 GLU HG3 . . 4.390 4.208 3.293 4.460 0.070 17 0 "[ . 1 . 2]" 1
936 1 80 GLU H 1 81 THR H . . 3.610 2.975 2.720 3.331 . 0 0 "[ . 1 . 2]" 1
937 1 80 GLU H 1 82 ASP H . . 4.780 4.267 3.867 4.562 . 0 0 "[ . 1 . 2]" 1
938 1 80 GLU HA 1 83 MET H . . 4.240 3.545 3.290 3.869 . 0 0 "[ . 1 . 2]" 1
939 1 80 GLU HA 1 83 MET HB2 . . 3.880 2.503 2.201 2.836 . 0 0 "[ . 1 . 2]" 1
940 1 80 GLU HA 1 83 MET HB3 . . 4.260 3.967 3.088 4.328 0.068 19 0 "[ . 1 . 2]" 1
941 1 80 GLU HA 1 83 MET QG . . 3.970 3.512 2.814 4.051 0.081 19 0 "[ . 1 . 2]" 1
942 1 80 GLU HB3 1 81 THR H . . 3.820 2.896 2.284 4.161 0.341 9 0 "[ . 1 . 2]" 1
943 1 80 GLU HG2 1 84 LYS QE . . 4.540 3.312 1.989 4.630 0.090 19 0 "[ . 1 . 2]" 1
944 1 80 GLU HG3 1 84 LYS QE . . 4.540 3.467 2.304 4.610 0.070 2 0 "[ . 1 . 2]" 1
945 1 81 THR H 1 81 THR HB . . 3.330 2.464 2.239 2.740 . 0 0 "[ . 1 . 2]" 1
946 1 81 THR H 1 81 THR MG . . 4.640 3.733 3.612 3.792 . 0 0 "[ . 1 . 2]" 1
947 1 81 THR H 1 82 ASP H . . 3.560 2.728 2.471 2.907 . 0 0 "[ . 1 . 2]" 1
948 1 81 THR HA 1 81 THR MG . . 3.250 2.448 2.278 2.712 . 0 0 "[ . 1 . 2]" 1
949 1 81 THR HA 1 83 MET H . . 4.920 4.640 4.334 4.981 0.061 2 0 "[ . 1 . 2]" 1
950 1 81 THR HA 1 84 LYS H . . 4.170 3.415 3.085 3.766 . 0 0 "[ . 1 . 2]" 1
951 1 81 THR HA 1 84 LYS HB2 . . 3.930 2.685 2.182 3.466 . 0 0 "[ . 1 . 2]" 1
952 1 81 THR HA 1 84 LYS HB3 . . 4.040 3.473 2.194 4.108 0.068 3 0 "[ . 1 . 2]" 1
953 1 81 THR HA 1 84 LYS QD . . 4.300 3.408 2.318 4.374 0.074 18 0 "[ . 1 . 2]" 1
954 1 81 THR HA 1 84 LYS QE . . 4.540 3.718 1.917 4.633 0.093 10 0 "[ . 1 . 2]" 1
955 1 81 THR HA 1 85 ILE H . . 4.660 4.176 3.631 4.721 0.061 7 0 "[ . 1 . 2]" 1
956 1 81 THR HB 1 82 ASP H . . 3.720 2.968 2.455 3.567 . 0 0 "[ . 1 . 2]" 1
957 1 81 THR MG 1 82 ASP H . . 4.860 3.710 3.325 4.070 . 0 0 "[ . 1 . 2]" 1
958 1 81 THR MG 1 82 ASP HA . . 3.970 3.731 3.333 4.077 0.107 7 0 "[ . 1 . 2]" 1
959 1 81 THR MG 1 83 MET H . . 5.500 5.322 5.029 5.591 0.091 2 0 "[ . 1 . 2]" 1
960 1 81 THR MG 1 84 LYS H . . 5.350 4.870 4.674 5.200 . 0 0 "[ . 1 . 2]" 1
961 1 81 THR MG 1 85 ILE QG . . 4.650 3.417 2.811 4.346 . 0 0 "[ . 1 . 2]" 1
962 1 82 ASP H 1 82 ASP HB2 . . 4.140 2.327 1.964 2.703 . 0 0 "[ . 1 . 2]" 1
963 1 82 ASP H 1 82 ASP HB3 . . 3.670 2.875 2.545 3.662 . 0 0 "[ . 1 . 2]" 1
964 1 82 ASP H 1 83 MET H . . 3.510 2.443 2.129 2.750 . 0 0 "[ . 1 . 2]" 1
965 1 82 ASP H 1 84 LYS H . . 4.890 3.885 3.568 4.243 . 0 0 "[ . 1 . 2]" 1
966 1 82 ASP HA 1 85 ILE H . . 5.130 3.746 3.083 4.015 . 0 0 "[ . 1 . 2]" 1
967 1 82 ASP HA 1 85 ILE HB . . 3.840 3.441 2.863 3.905 0.065 6 0 "[ . 1 . 2]" 1
968 1 82 ASP HA 1 85 ILE MD . . 4.460 3.670 2.965 4.445 . 0 0 "[ . 1 . 2]" 1
969 1 82 ASP HA 1 86 MET H . . 5.070 4.167 3.784 4.453 . 0 0 "[ . 1 . 2]" 1
970 1 82 ASP HB3 1 83 MET H . . 4.150 2.587 2.253 3.402 . 0 0 "[ . 1 . 2]" 1
971 1 83 MET H 1 83 MET HB2 . . 3.460 2.304 2.026 2.478 . 0 0 "[ . 1 . 2]" 1
972 1 83 MET H 1 83 MET QG . . 3.590 2.690 2.395 3.403 . 0 0 "[ . 1 . 2]" 1
973 1 83 MET H 1 84 LYS H . . 3.630 2.816 2.575 2.918 . 0 0 "[ . 1 . 2]" 1
974 1 83 MET HA 1 83 MET ME . . 3.530 2.433 1.942 3.163 . 0 0 "[ . 1 . 2]" 1
975 1 83 MET HA 1 83 MET QG . . 3.920 2.251 2.084 2.428 . 0 0 "[ . 1 . 2]" 1
976 1 83 MET HA 1 86 MET H . . 4.440 3.391 3.015 3.704 . 0 0 "[ . 1 . 2]" 1
977 1 83 MET HA 1 86 MET HB2 . . 3.710 2.322 2.000 2.757 . 0 0 "[ . 1 . 2]" 1
978 1 83 MET HA 1 86 MET ME . . 3.720 3.238 2.352 3.815 0.095 13 0 "[ . 1 . 2]" 1
979 1 83 MET HB2 1 84 LYS H . . 3.950 2.839 2.553 3.140 . 0 0 "[ . 1 . 2]" 1
980 1 83 MET HB3 1 84 LYS H . . 4.010 3.440 2.693 3.886 . 0 0 "[ . 1 . 2]" 1
981 1 83 MET QG 1 84 LYS H . . 4.980 4.312 4.108 4.524 . 0 0 "[ . 1 . 2]" 1
982 1 83 MET QG 1 86 MET ME . . 3.450 3.477 2.894 3.580 0.130 6 0 "[ . 1 . 2]" 1
983 1 84 LYS H 1 84 LYS HB2 . . 3.310 2.262 2.009 2.451 . 0 0 "[ . 1 . 2]" 1
984 1 84 LYS H 1 84 LYS HB3 . . 3.550 3.174 2.384 3.607 0.057 6 0 "[ . 1 . 2]" 1
985 1 84 LYS H 1 84 LYS HG2 . . 4.290 4.233 3.642 4.601 0.311 13 0 "[ . 1 . 2]" 1
986 1 84 LYS H 1 84 LYS HG3 . . 4.730 3.671 2.400 4.364 . 0 0 "[ . 1 . 2]" 1
987 1 84 LYS H 1 85 ILE H . . 4.080 2.943 2.773 3.163 . 0 0 "[ . 1 . 2]" 1
988 1 84 LYS H 1 86 MET H . . 5.000 4.215 3.964 4.411 . 0 0 "[ . 1 . 2]" 1
989 1 84 LYS HA 1 84 LYS HG2 . . 3.970 2.936 2.324 3.646 . 0 0 "[ . 1 . 2]" 1
990 1 84 LYS HA 1 84 LYS HG3 . . 3.860 2.526 2.200 3.072 . 0 0 "[ . 1 . 2]" 1
991 1 84 LYS HA 1 87 GLU H . . 4.400 3.814 3.501 4.460 0.060 2 0 "[ . 1 . 2]" 1
992 1 84 LYS HA 1 87 GLU HB2 . . 4.350 3.423 2.718 4.402 0.052 2 0 "[ . 1 . 2]" 1
993 1 84 LYS HA 1 88 ARG HB2 . . 4.200 4.225 3.830 4.287 0.087 15 0 "[ . 1 . 2]" 1
994 1 84 LYS HB2 1 84 LYS QD . . 3.760 2.584 2.133 3.085 . 0 0 "[ . 1 . 2]" 1
995 1 84 LYS HB2 1 84 LYS QE . . 4.410 3.054 2.026 4.032 . 0 0 "[ . 1 . 2]" 1
996 1 84 LYS HB2 1 85 ILE H . . 3.960 3.116 2.358 4.034 0.074 2 0 "[ . 1 . 2]" 1
997 1 84 LYS QE 1 84 LYS HG3 . . 3.670 2.716 2.238 3.545 . 0 0 "[ . 1 . 2]" 1
998 1 84 LYS HG3 1 85 ILE H . . 5.200 4.680 4.212 5.008 . 0 0 "[ . 1 . 2]" 1
999 1 85 ILE H 1 85 ILE HB . . 3.220 2.547 2.219 2.708 . 0 0 "[ . 1 . 2]" 1
1000 1 85 ILE H 1 85 ILE MD . . 4.410 3.614 3.281 3.918 . 0 0 "[ . 1 . 2]" 1
1001 1 85 ILE H 1 85 ILE QG . . 3.680 2.178 1.980 2.666 . 0 0 "[ . 1 . 2]" 1
1002 1 85 ILE H 1 85 ILE MG . . 4.140 3.793 3.641 3.852 . 0 0 "[ . 1 . 2]" 1
1003 1 85 ILE H 1 86 MET H . . 3.540 2.764 2.272 2.936 . 0 0 "[ . 1 . 2]" 1
1004 1 85 ILE H 1 88 ARG H . . 4.970 4.810 4.681 5.016 0.046 5 0 "[ . 1 . 2]" 1
1005 1 85 ILE H 1 88 ARG HB2 . . 5.130 5.004 4.491 5.214 0.084 6 0 "[ . 1 . 2]" 1
1006 1 85 ILE HA 1 85 ILE MD . . 3.670 3.748 3.640 3.788 0.118 1 0 "[ . 1 . 2]" 1
1007 1 85 ILE HA 1 88 ARG H . . 4.380 3.618 3.305 3.814 . 0 0 "[ . 1 . 2]" 1
1008 1 85 ILE HA 1 88 ARG HB2 . . 3.780 3.275 2.516 3.658 . 0 0 "[ . 1 . 2]" 1
1009 1 85 ILE HB 1 85 ILE MD . . 3.600 2.472 2.297 2.725 . 0 0 "[ . 1 . 2]" 1
1010 1 85 ILE HB 1 86 MET H . . 3.540 2.770 2.496 3.126 . 0 0 "[ . 1 . 2]" 1
1011 1 85 ILE HB 1 89 VAL QG . . 4.400 4.369 4.220 4.411 0.011 18 0 "[ . 1 . 2]" 1
1012 1 85 ILE MG 1 86 MET H . . 4.620 3.501 2.983 3.877 . 0 0 "[ . 1 . 2]" 1
1013 1 85 ILE MG 1 86 MET HG2 . . 4.870 4.602 3.956 4.969 0.099 7 0 "[ . 1 . 2]" 1
1014 1 85 ILE MG 1 89 VAL QG . . 4.030 2.524 2.157 2.818 . 0 0 "[ . 1 . 2]" 1
1015 1 86 MET H 1 86 MET HG3 . . 3.580 3.382 2.525 3.970 0.390 10 0 "[ . 1 . 2]" 1
1016 1 86 MET H 1 87 GLU H . . 3.620 3.091 2.845 3.307 . 0 0 "[ . 1 . 2]" 1
1017 1 86 MET H 1 88 ARG H . . 5.020 4.265 4.047 4.454 . 0 0 "[ . 1 . 2]" 1
1018 1 86 MET HA 1 86 MET HG2 . . 4.280 2.216 2.007 2.662 . 0 0 "[ . 1 . 2]" 1
1019 1 86 MET HA 1 86 MET HG3 . . 3.750 3.294 2.787 3.749 . 0 0 "[ . 1 . 2]" 1
1020 1 86 MET HA 1 89 VAL H . . 4.270 3.672 3.435 3.840 . 0 0 "[ . 1 . 2]" 1
1021 1 86 MET HA 1 89 VAL QG . . 4.410 2.289 2.066 2.629 . 0 0 "[ . 1 . 2]" 1
1022 1 86 MET HA 1 90 VAL H . . 4.260 3.765 3.457 4.064 . 0 0 "[ . 1 . 2]" 1
1023 1 86 MET HA 1 90 VAL MG2 . . 4.100 3.200 2.698 3.676 . 0 0 "[ . 1 . 2]" 1
1024 1 86 MET HB2 1 86 MET ME . . 3.120 2.764 2.199 3.207 0.087 10 0 "[ . 1 . 2]" 1
1025 1 86 MET HB3 1 86 MET ME . . 2.400 2.240 2.086 2.486 0.086 1 0 "[ . 1 . 2]" 1
1026 1 87 GLU H 1 87 GLU HB2 . . 3.110 2.316 1.928 2.533 . 0 0 "[ . 1 . 2]" 1
1027 1 87 GLU H 1 87 GLU HB3 . . 3.610 3.513 2.722 3.635 0.025 3 0 "[ . 1 . 2]" 1
1028 1 87 GLU H 1 87 GLU HG2 . . 3.930 3.568 2.479 4.362 0.432 14 0 "[ . 1 . 2]" 1
1029 1 87 GLU H 1 87 GLU HG3 . . 4.280 2.793 2.261 4.009 . 0 0 "[ . 1 . 2]" 1
1030 1 87 GLU H 1 88 ARG H . . 3.460 2.693 2.607 2.788 . 0 0 "[ . 1 . 2]" 1
1031 1 87 GLU H 1 89 VAL H . . 4.580 4.327 4.071 4.640 0.060 4 0 "[ . 1 . 2]" 1
1032 1 87 GLU HA 1 87 GLU HG2 . . 3.970 2.394 2.131 2.826 . 0 0 "[ . 1 . 2]" 1
1033 1 87 GLU HA 1 87 GLU HG3 . . 4.010 2.947 2.279 3.763 . 0 0 "[ . 1 . 2]" 1
1034 1 87 GLU HA 1 89 VAL H . . 4.940 4.444 3.990 4.855 . 0 0 "[ . 1 . 2]" 1
1035 1 87 GLU HA 1 90 VAL HB . . 3.210 2.736 2.456 3.233 0.023 5 0 "[ . 1 . 2]" 1
1036 1 87 GLU HB2 1 88 ARG H . . 3.970 2.906 2.564 3.655 . 0 0 "[ . 1 . 2]" 1
1037 1 87 GLU HG2 1 88 ARG H . . 5.240 4.955 4.045 5.299 0.059 5 0 "[ . 1 . 2]" 1
1038 1 88 ARG H 1 88 ARG HB2 . . 3.750 2.290 2.097 2.610 . 0 0 "[ . 1 . 2]" 1
1039 1 88 ARG H 1 88 ARG HG3 . . 4.840 4.465 4.340 4.721 . 0 0 "[ . 1 . 2]" 1
1040 1 88 ARG H 1 89 VAL H . . 3.350 2.791 2.062 3.183 . 0 0 "[ . 1 . 2]" 1
1041 1 88 ARG HA 1 88 ARG HD2 . . 4.070 4.102 3.920 4.170 0.100 10 0 "[ . 1 . 2]" 1
1042 1 88 ARG HA 1 88 ARG HD3 . . 3.860 3.500 3.031 3.920 0.060 12 0 "[ . 1 . 2]" 1
1043 1 88 ARG HA 1 88 ARG HG2 . . 4.000 2.506 2.217 2.781 . 0 0 "[ . 1 . 2]" 1
1044 1 88 ARG HA 1 88 ARG HG3 . . 4.220 3.646 3.409 3.785 . 0 0 "[ . 1 . 2]" 1
1045 1 88 ARG HA 1 91 GLU H . . 4.200 3.791 3.389 4.102 . 0 0 "[ . 1 . 2]" 1
1046 1 88 ARG HA 1 91 GLU QB . . 3.950 2.846 2.342 3.108 . 0 0 "[ . 1 . 2]" 1
1047 1 88 ARG HA 1 92 GLN H . . 4.880 4.577 4.220 4.826 . 0 0 "[ . 1 . 2]" 1
1048 1 88 ARG HB2 1 89 VAL H . . 3.860 3.851 3.585 3.946 0.086 10 0 "[ . 1 . 2]" 1
1049 1 88 ARG HB3 1 88 ARG HD2 . . 4.170 2.740 2.039 3.665 . 0 0 "[ . 1 . 2]" 1
1050 1 88 ARG HB3 1 88 ARG HD3 . . 4.060 2.960 2.442 3.440 . 0 0 "[ . 1 . 2]" 1
1051 1 88 ARG HB3 1 89 VAL H . . 4.120 2.720 2.394 2.988 . 0 0 "[ . 1 . 2]" 1
1052 1 88 ARG HD3 1 89 VAL HB . . 4.210 4.208 3.841 4.468 0.258 2 0 "[ . 1 . 2]" 1
1053 1 89 VAL H 1 89 VAL HB . . 3.260 2.576 2.293 3.361 0.101 10 0 "[ . 1 . 2]" 1
1054 1 89 VAL H 1 89 VAL QG . . 4.090 2.205 1.995 2.377 . 0 0 "[ . 1 . 2]" 1
1055 1 89 VAL H 1 90 VAL H . . 3.140 2.348 2.232 2.451 . 0 0 "[ . 1 . 2]" 1
1056 1 89 VAL H 1 90 VAL HB . . 4.400 4.436 4.291 4.478 0.078 12 0 "[ . 1 . 2]" 1
1057 1 89 VAL HA 1 91 GLU QB . . 4.360 4.220 3.945 4.317 . 0 0 "[ . 1 . 2]" 1
1058 1 89 VAL HA 1 92 GLN H . . 4.370 3.034 2.709 3.238 . 0 0 "[ . 1 . 2]" 1
1059 1 89 VAL HA 1 92 GLN QB . . 4.180 2.810 2.371 4.277 0.097 3 0 "[ . 1 . 2]" 1
1060 1 89 VAL HA 1 92 GLN HG2 . . 4.470 4.083 2.831 4.770 0.300 17 0 "[ . 1 . 2]" 1
1061 1 89 VAL HB 1 90 VAL H . . 3.750 3.811 3.599 3.840 0.090 14 0 "[ . 1 . 2]" 1
1062 1 89 VAL QG 1 90 VAL H . . 4.030 2.193 2.031 2.348 . 0 0 "[ . 1 . 2]" 1
1063 1 89 VAL QG 1 90 VAL HA . . 4.290 3.453 3.231 3.798 . 0 0 "[ . 1 . 2]" 1
1064 1 89 VAL QG 1 90 VAL HB . . 4.420 3.861 3.720 4.039 . 0 0 "[ . 1 . 2]" 1
1065 1 89 VAL QG 1 92 GLN H . . 5.180 4.248 3.983 4.464 . 0 0 "[ . 1 . 2]" 1
1066 1 89 VAL QG 1 92 GLN HG3 . . 4.930 4.288 3.092 4.899 . 0 0 "[ . 1 . 2]" 1
1067 1 89 VAL QG 1 93 MET H . . 5.450 4.096 3.635 4.743 . 0 0 "[ . 1 . 2]" 1
1068 1 89 VAL QG 1 93 MET ME . . 3.380 2.410 2.033 3.283 . 0 0 "[ . 1 . 2]" 1
1069 1 89 VAL QG 1 93 MET QG . . 4.750 3.794 2.961 4.498 . 0 0 "[ . 1 . 2]" 1
1070 1 90 VAL H 1 90 VAL HB . . 3.170 2.413 2.266 2.561 . 0 0 "[ . 1 . 2]" 1
1071 1 90 VAL H 1 90 VAL MG1 . . 4.300 3.764 3.668 3.846 . 0 0 "[ . 1 . 2]" 1
1072 1 90 VAL H 1 90 VAL MG2 . . 3.460 2.347 2.163 2.509 . 0 0 "[ . 1 . 2]" 1
1073 1 90 VAL H 1 91 GLU H . . 3.580 2.689 2.533 2.791 . 0 0 "[ . 1 . 2]" 1
1074 1 90 VAL H 1 92 GLN H . . 5.190 4.401 4.101 4.757 . 0 0 "[ . 1 . 2]" 1
1075 1 90 VAL H 1 93 MET ME . . 4.560 3.594 3.139 4.359 . 0 0 "[ . 1 . 2]" 1
1076 1 90 VAL HA 1 90 VAL MG1 . . 3.680 2.456 2.298 2.603 . 0 0 "[ . 1 . 2]" 1
1077 1 90 VAL HA 1 90 VAL MG2 . . 3.540 2.306 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
1078 1 90 VAL HA 1 93 MET ME . . 3.230 2.206 1.965 2.473 . 0 0 "[ . 1 . 2]" 1
1079 1 90 VAL HB 1 91 GLU H . . 3.060 3.037 2.860 3.131 0.071 13 0 "[ . 1 . 2]" 1
1080 1 90 VAL MG1 1 91 GLU H . . 4.620 3.626 3.371 3.826 . 0 0 "[ . 1 . 2]" 1
1081 1 90 VAL MG1 1 93 MET ME . . 4.400 3.451 2.510 3.986 . 0 0 "[ . 1 . 2]" 1
1082 1 90 VAL MG2 1 93 MET ME . . 4.600 2.228 1.966 2.647 . 0 0 "[ . 1 . 2]" 1
1083 1 91 GLU H 1 91 GLU QB . . 3.680 2.284 2.152 2.525 . 0 0 "[ . 1 . 2]" 1
1084 1 91 GLU H 1 92 GLN H . . 3.640 3.030 2.877 3.261 . 0 0 "[ . 1 . 2]" 1
1085 1 91 GLU H 1 93 MET H . . 4.980 4.458 4.142 4.804 . 0 0 "[ . 1 . 2]" 1
1086 1 91 GLU HA 1 91 GLU HG2 . . 3.990 2.642 2.332 3.292 . 0 0 "[ . 1 . 2]" 1
1087 1 91 GLU HA 1 91 GLU HG3 . . 4.010 3.066 2.557 3.682 . 0 0 "[ . 1 . 2]" 1
1088 1 91 GLU QB 1 92 GLN HA . . 4.320 3.946 3.477 4.235 . 0 0 "[ . 1 . 2]" 1
1089 1 92 GLN H 1 92 GLN QB . . 2.970 2.244 1.981 2.647 . 0 0 "[ . 1 . 2]" 1
1090 1 92 GLN H 1 92 GLN QE . . 5.190 4.544 3.915 5.040 . 0 0 "[ . 1 . 2]" 1
1091 1 92 GLN H 1 92 GLN HG3 . . 3.920 3.782 2.233 4.446 0.526 17 1 "[ . 1 . + 2]" 1
1092 1 92 GLN H 1 93 MET H . . 3.500 3.014 2.725 3.346 . 0 0 "[ . 1 . 2]" 1
1093 1 92 GLN H 1 94 CYS H . . 4.760 4.243 3.893 4.812 0.052 5 0 "[ . 1 . 2]" 1
1094 1 92 GLN H 1 95 VAL QG . . 4.820 4.312 3.778 4.645 . 0 0 "[ . 1 . 2]" 1
1095 1 92 GLN HA 1 92 GLN HG2 . . 3.980 2.925 2.300 4.072 0.092 3 0 "[ . 1 . 2]" 1
1096 1 92 GLN HA 1 92 GLN HG3 . . 3.740 3.599 3.324 3.755 0.015 19 0 "[ . 1 . 2]" 1
1097 1 92 GLN HA 1 95 VAL H . . 3.890 3.290 2.900 3.683 . 0 0 "[ . 1 . 2]" 1
1098 1 92 GLN HA 1 95 VAL HB . . 3.970 3.026 2.217 4.073 0.103 9 0 "[ . 1 . 2]" 1
1099 1 92 GLN HA 1 95 VAL QG . . 4.130 2.440 1.778 3.345 . 0 0 "[ . 1 . 2]" 1
1100 1 92 GLN HA 1 96 THR H . . 4.270 4.003 3.742 4.332 0.062 15 0 "[ . 1 . 2]" 1
1101 1 92 GLN QB 1 95 VAL QG . . 4.810 3.818 2.840 4.657 . 0 0 "[ . 1 . 2]" 1
1102 1 92 GLN QE 1 96 THR MG . . 4.440 3.935 3.429 4.402 . 0 0 "[ . 1 . 2]" 1
1103 1 93 MET H 1 93 MET QB . . 3.510 2.806 2.328 3.061 . 0 0 "[ . 1 . 2]" 1
1104 1 93 MET H 1 93 MET QG . . 3.740 2.058 1.777 2.758 . 0 0 "[ . 1 . 2]" 1
1105 1 93 MET H 1 94 CYS H . . 3.480 2.589 2.166 2.837 . 0 0 "[ . 1 . 2]" 1
1106 1 93 MET H 1 95 VAL QG . . 5.250 4.649 3.520 5.101 . 0 0 "[ . 1 . 2]" 1
1107 1 93 MET HA 1 96 THR H . . 4.730 3.546 3.275 3.792 . 0 0 "[ . 1 . 2]" 1
1108 1 93 MET HA 1 96 THR HB . . 4.180 3.858 3.043 4.248 0.068 12 0 "[ . 1 . 2]" 1
1109 1 93 MET HA 1 96 THR MG . . 4.400 2.122 1.936 2.673 . 0 0 "[ . 1 . 2]" 1
1110 1 93 MET QB 1 94 CYS H . . 4.310 3.582 3.106 3.873 . 0 0 "[ . 1 . 2]" 1
1111 1 93 MET QB 1 95 VAL H . . 4.820 4.908 4.824 4.939 0.119 9 0 "[ . 1 . 2]" 1
1112 1 93 MET QB 1 96 THR H . . 5.100 5.022 4.778 5.197 0.097 4 0 "[ . 1 . 2]" 1
1113 1 93 MET ME 1 94 CYS H . . 4.800 4.789 4.507 4.908 0.108 9 0 "[ . 1 . 2]" 1
1114 1 93 MET QG 1 94 CYS HA . . 4.560 3.898 3.314 4.499 . 0 0 "[ . 1 . 2]" 1
1115 1 94 CYS H 1 94 CYS HB2 . . 3.370 2.559 2.322 2.993 . 0 0 "[ . 1 . 2]" 1
1116 1 94 CYS H 1 95 VAL H . . 3.600 2.494 1.948 2.726 . 0 0 "[ . 1 . 2]" 1
1117 1 94 CYS H 1 95 VAL HB . . 5.150 4.631 4.147 5.246 0.096 9 0 "[ . 1 . 2]" 1
1118 1 94 CYS H 1 95 VAL QG . . 4.690 4.211 2.887 4.587 . 0 0 "[ . 1 . 2]" 1
1119 1 94 CYS HA 1 96 THR MG . . 4.000 4.112 4.076 4.128 0.128 1 0 "[ . 1 . 2]" 1
1120 1 94 CYS HA 1 97 GLN H . . 4.430 3.773 3.299 4.304 . 0 0 "[ . 1 . 2]" 1
1121 1 94 CYS HA 1 97 GLN HG2 . . 4.440 3.244 2.256 4.002 . 0 0 "[ . 1 . 2]" 1
1122 1 94 CYS HB2 1 95 VAL H . . 4.240 4.032 2.910 4.308 0.068 18 0 "[ . 1 . 2]" 1
1123 1 94 CYS HB3 1 95 VAL H . . 4.830 3.262 2.767 4.324 . 0 0 "[ . 1 . 2]" 1
1124 1 94 CYS HB3 1 95 VAL HA . . 4.720 4.380 3.883 4.762 0.042 19 0 "[ . 1 . 2]" 1
1125 1 95 VAL H 1 95 VAL HB . . 3.240 2.456 2.218 3.339 0.099 9 0 "[ . 1 . 2]" 1
1126 1 95 VAL H 1 95 VAL QG . . 3.470 2.582 1.684 2.813 . 0 0 "[ . 1 . 2]" 1
1127 1 95 VAL H 1 96 THR H . . 3.520 2.377 2.100 2.628 . 0 0 "[ . 1 . 2]" 1
1128 1 95 VAL H 1 96 THR MG . . 5.500 3.686 3.066 4.650 . 0 0 "[ . 1 . 2]" 1
1129 1 95 VAL HA 1 98 TYR H . . 4.450 3.241 2.832 3.601 . 0 0 "[ . 1 . 2]" 1
1130 1 95 VAL HA 1 98 TYR HB2 . . 4.370 3.063 2.150 4.151 . 0 0 "[ . 1 . 2]" 1
1131 1 95 VAL HA 1 98 TYR HB3 . . 4.150 3.018 2.179 4.041 . 0 0 "[ . 1 . 2]" 1
1132 1 95 VAL HA 1 99 GLN H . . 4.850 4.441 3.972 4.902 0.052 19 0 "[ . 1 . 2]" 1
1133 1 95 VAL HB 1 96 THR H . . 3.450 3.320 2.547 3.549 0.099 5 0 "[ . 1 . 2]" 1
1134 1 95 VAL QG 1 96 THR H . . 4.480 2.512 1.884 3.674 . 0 0 "[ . 1 . 2]" 1
1135 1 95 VAL QG 1 96 THR HA . . 4.520 3.143 2.816 3.905 . 0 0 "[ . 1 . 2]" 1
1136 1 95 VAL QG 1 97 GLN HE21 . . 5.420 4.932 4.154 5.150 . 0 0 "[ . 1 . 2]" 1
1137 1 95 VAL QG 1 98 TYR H . . 5.500 4.061 3.818 4.566 . 0 0 "[ . 1 . 2]" 1
1138 1 95 VAL QG 1 99 GLN H . . 5.130 4.082 3.466 4.753 . 0 0 "[ . 1 . 2]" 1
1139 1 95 VAL QG 1 99 GLN HE21 . . 4.370 2.755 1.784 3.725 . 0 0 "[ . 1 . 2]" 1
1140 1 95 VAL QG 1 99 GLN HE22 . . 4.960 3.433 2.202 4.955 . 0 0 "[ . 1 . 2]" 1
1141 1 95 VAL QG 1 99 GLN HG2 . . 4.500 3.609 2.448 4.458 . 0 0 "[ . 1 . 2]" 1
1142 1 95 VAL QG 1 99 GLN HG3 . . 4.600 3.610 2.557 4.542 . 0 0 "[ . 1 . 2]" 1
1143 1 96 THR H 1 96 THR HB . . 3.410 2.543 2.194 2.860 . 0 0 "[ . 1 . 2]" 1
1144 1 96 THR H 1 96 THR MG . . 4.720 2.226 1.859 3.009 . 0 0 "[ . 1 . 2]" 1
1145 1 96 THR H 1 97 GLN H . . 3.700 2.952 2.723 3.256 . 0 0 "[ . 1 . 2]" 1
1146 1 96 THR H 1 97 GLN HE21 . . 5.270 5.285 5.058 5.355 0.085 8 0 "[ . 1 . 2]" 1
1147 1 96 THR H 1 97 GLN HG3 . . 4.480 4.334 3.940 4.555 0.075 15 0 "[ . 1 . 2]" 1
1148 1 96 THR HA 1 96 THR MG . . 3.400 3.210 3.171 3.247 . 0 0 "[ . 1 . 2]" 1
1149 1 96 THR HA 1 99 GLN H . . 4.620 3.483 3.172 3.807 . 0 0 "[ . 1 . 2]" 1
1150 1 96 THR HA 1 99 GLN HG3 . . 4.560 3.517 2.222 5.406 0.846 10 1 "[ . + . 2]" 1
1151 1 96 THR HA 1 100 LYS QG . . 4.290 4.013 3.483 4.226 . 0 0 "[ . 1 . 2]" 1
1152 1 96 THR HB 1 97 GLN H . . 4.110 4.030 3.696 4.171 0.061 19 0 "[ . 1 . 2]" 1
1153 1 96 THR HB 1 99 GLN HE21 . . 5.150 4.888 4.087 5.232 0.082 4 0 "[ . 1 . 2]" 1
1154 1 96 THR MG 1 97 GLN H . . 4.620 2.130 1.934 2.309 . 0 0 "[ . 1 . 2]" 1
1155 1 96 THR MG 1 97 GLN HA . . 4.730 3.787 3.462 4.231 . 0 0 "[ . 1 . 2]" 1
1156 1 96 THR MG 1 97 GLN HB3 . . 4.820 3.462 3.220 3.790 . 0 0 "[ . 1 . 2]" 1
1157 1 96 THR MG 1 99 GLN H . . 5.500 5.111 4.840 5.327 . 0 0 "[ . 1 . 2]" 1
1158 1 96 THR MG 1 100 LYS QE . . 3.880 3.702 3.066 4.007 0.127 8 0 "[ . 1 . 2]" 1
1159 1 97 GLN H 1 97 GLN HB2 . . 3.800 3.643 3.545 3.698 . 0 0 "[ . 1 . 2]" 1
1160 1 97 GLN H 1 98 TYR H . . 3.940 2.844 2.670 3.046 . 0 0 "[ . 1 . 2]" 1
1161 1 97 GLN HA 1 100 LYS H . . 5.100 3.360 2.642 3.834 . 0 0 "[ . 1 . 2]" 1
1162 1 97 GLN HA 1 100 LYS QD . . 4.600 3.706 2.909 4.435 . 0 0 "[ . 1 . 2]" 1
1163 1 97 GLN HA 1 100 LYS QE . . 4.320 3.363 2.059 4.415 0.095 5 0 "[ . 1 . 2]" 1
1164 1 97 GLN HA 1 100 LYS QG . . 4.520 2.171 1.976 2.818 . 0 0 "[ . 1 . 2]" 1
1165 1 97 GLN HA 1 101 GLU H . . 4.980 3.247 2.451 4.100 . 0 0 "[ . 1 . 2]" 1
1166 1 97 GLN HA 1 101 GLU HB3 . . 3.980 4.021 3.563 4.470 0.490 8 0 "[ . 1 . 2]" 1
1167 1 97 GLN HB2 1 101 GLU HB2 . . 4.360 3.422 2.727 4.277 . 0 0 "[ . 1 . 2]" 1
1168 1 97 GLN HE21 1 98 TYR HB3 . . 5.140 4.106 3.535 4.860 . 0 0 "[ . 1 . 2]" 1
1169 1 98 TYR H 1 98 TYR HB2 . . 3.800 2.436 2.060 2.840 . 0 0 "[ . 1 . 2]" 1
1170 1 98 TYR H 1 98 TYR HB3 . . 3.890 2.772 2.238 3.489 . 0 0 "[ . 1 . 2]" 1
1171 1 98 TYR H 1 99 GLN H . . 3.910 2.416 1.939 2.751 . 0 0 "[ . 1 . 2]" 1
1172 1 98 TYR H 1 99 GLN QB . . 4.440 4.374 4.255 4.396 . 0 0 "[ . 1 . 2]" 1
1173 1 98 TYR HA 1 98 TYR QD . . 4.290 2.509 2.139 3.013 . 0 0 "[ . 1 . 2]" 1
1174 1 98 TYR HB2 1 99 GLN H . . 4.000 3.918 3.558 4.356 0.356 19 0 "[ . 1 . 2]" 1
1175 1 99 GLN H 1 99 GLN QB . . 3.860 2.442 2.042 3.004 . 0 0 "[ . 1 . 2]" 1
1176 1 99 GLN H 1 99 GLN HE21 . . 5.360 4.485 3.459 5.075 . 0 0 "[ . 1 . 2]" 1
1177 1 99 GLN H 1 99 GLN HG2 . . 4.520 3.353 2.301 4.221 . 0 0 "[ . 1 . 2]" 1
1178 1 99 GLN H 1 99 GLN HG3 . . 3.800 2.987 2.512 4.509 0.709 10 1 "[ . + . 2]" 1
1179 1 99 GLN H 1 100 LYS H . . 4.570 2.392 2.049 2.691 . 0 0 "[ . 1 . 2]" 1
1180 1 99 GLN H 1 100 LYS HA . . 5.020 4.984 4.735 5.110 0.090 13 0 "[ . 1 . 2]" 1
1181 1 99 GLN HA 1 99 GLN HG2 . . 4.050 3.200 2.248 4.130 0.080 11 0 "[ . 1 . 2]" 1
1182 1 99 GLN HA 1 99 GLN HG3 . . 4.150 3.313 2.801 3.835 . 0 0 "[ . 1 . 2]" 1
1183 1 99 GLN HA 1 102 SER H . . 5.190 4.075 3.477 4.868 . 0 0 "[ . 1 . 2]" 1
1184 1 99 GLN HA 1 102 SER QB . . 4.440 3.218 2.307 3.921 . 0 0 "[ . 1 . 2]" 1
1185 1 100 LYS H 1 101 GLU H . . 4.080 2.539 2.069 2.936 . 0 0 "[ . 1 . 2]" 1
1186 1 100 LYS HA 1 103 GLU H . . 4.470 3.731 3.102 4.518 0.048 9 0 "[ . 1 . 2]" 1
1187 1 100 LYS HB3 1 100 LYS QE . . 4.580 3.666 2.568 4.322 . 0 0 "[ . 1 . 2]" 1
1188 1 100 LYS HB3 1 101 GLU H . . 4.230 4.185 3.519 4.309 0.079 9 0 "[ . 1 . 2]" 1
1189 1 100 LYS QE 1 100 LYS QG . . 2.880 2.162 1.995 2.356 . 0 0 "[ . 1 . 2]" 1
1190 1 101 GLU H 1 101 GLU HB2 . . 3.820 2.638 2.365 3.020 . 0 0 "[ . 1 . 2]" 1
1191 1 101 GLU H 1 101 GLU HB3 . . 3.630 2.637 2.371 3.057 . 0 0 "[ . 1 . 2]" 1
1192 1 101 GLU H 1 102 SER HA . . 4.960 4.931 4.682 5.040 0.080 10 0 "[ . 1 . 2]" 1
1193 1 101 GLU H 1 103 GLU H . . 5.080 3.938 2.920 4.472 . 0 0 "[ . 1 . 2]" 1
1194 1 101 GLU HA 1 104 ALA H . . 4.000 3.293 2.721 3.651 . 0 0 "[ . 1 . 2]" 1
1195 1 101 GLU HA 1 104 ALA MB . . 3.550 2.606 2.138 3.131 . 0 0 "[ . 1 . 2]" 1
1196 1 101 GLU HA 1 105 TYR H . . 4.800 4.132 3.584 4.846 0.046 12 0 "[ . 1 . 2]" 1
1197 1 101 GLU HB2 1 102 SER H . . 5.000 3.953 3.342 4.330 . 0 0 "[ . 1 . 2]" 1
1198 1 101 GLU HB3 1 102 SER H . . 4.810 2.911 2.349 3.494 . 0 0 "[ . 1 . 2]" 1
1199 1 102 SER H 1 103 GLU H . . 3.680 2.838 2.455 3.143 . 0 0 "[ . 1 . 2]" 1
1200 1 102 SER H 1 104 ALA H . . 5.140 4.157 3.701 4.529 . 0 0 "[ . 1 . 2]" 1
1201 1 102 SER HA 1 104 ALA H . . 5.070 4.317 3.957 4.606 . 0 0 "[ . 1 . 2]" 1
1202 1 102 SER HA 1 105 TYR H . . 4.330 3.431 3.032 3.976 . 0 0 "[ . 1 . 2]" 1
1203 1 102 SER HA 1 105 TYR HB2 . . 4.120 3.210 2.173 3.864 . 0 0 "[ . 1 . 2]" 1
1204 1 102 SER HA 1 105 TYR HB3 . . 4.130 3.026 2.269 4.156 0.026 20 0 "[ . 1 . 2]" 1
1205 1 102 SER HA 1 106 TYR QD . . 4.370 4.160 3.816 4.447 0.077 14 0 "[ . 1 . 2]" 1
1206 1 102 SER QB 1 103 GLU H . . 4.510 2.643 2.224 3.347 . 0 0 "[ . 1 . 2]" 1
1207 1 102 SER QB 1 103 GLU HA . . 4.250 3.923 3.709 4.192 . 0 0 "[ . 1 . 2]" 1
1208 1 102 SER QB 1 106 TYR QD . . 4.510 2.983 2.669 3.487 . 0 0 "[ . 1 . 2]" 1
1209 1 103 GLU H 1 103 GLU HB2 . . 3.240 2.377 2.271 2.498 . 0 0 "[ . 1 . 2]" 1
1210 1 103 GLU H 1 103 GLU HB3 . . 3.490 3.550 3.502 3.568 0.078 20 0 "[ . 1 . 2]" 1
1211 1 103 GLU H 1 103 GLU HG2 . . 4.350 3.167 2.095 3.661 . 0 0 "[ . 1 . 2]" 1
1212 1 103 GLU H 1 103 GLU HG3 . . 3.970 2.809 2.151 3.526 . 0 0 "[ . 1 . 2]" 1
1213 1 103 GLU H 1 104 ALA H . . 3.670 2.713 2.428 2.922 . 0 0 "[ . 1 . 2]" 1
1214 1 103 GLU H 1 104 ALA MB . . 5.150 4.430 4.210 4.662 . 0 0 "[ . 1 . 2]" 1
1215 1 103 GLU HA 1 103 GLU HB2 . . 2.960 3.025 3.012 3.030 0.070 2 0 "[ . 1 . 2]" 1
1216 1 103 GLU HA 1 103 GLU HB3 . . 3.050 2.514 2.418 2.649 . 0 0 "[ . 1 . 2]" 1
1217 1 103 GLU HA 1 103 GLU HG2 . . 3.980 2.400 2.153 2.787 . 0 0 "[ . 1 . 2]" 1
1218 1 103 GLU HA 1 106 TYR HB2 . . 4.030 2.344 2.114 2.660 . 0 0 "[ . 1 . 2]" 1
1219 1 103 GLU HA 1 106 TYR HB3 . . 4.260 3.856 3.459 4.306 0.046 3 0 "[ . 1 . 2]" 1
1220 1 103 GLU HA 1 106 TYR QD . . 3.760 2.358 1.976 2.655 . 0 0 "[ . 1 . 2]" 1
1221 1 103 GLU HB2 1 104 ALA H . . 3.770 2.833 2.588 3.073 . 0 0 "[ . 1 . 2]" 1
1222 1 103 GLU HB2 1 104 ALA MB . . 4.820 4.237 3.938 4.457 . 0 0 "[ . 1 . 2]" 1
1223 1 103 GLU HB3 1 104 ALA H . . 3.690 3.614 3.426 3.770 0.080 20 0 "[ . 1 . 2]" 1
1224 1 103 GLU HB3 1 106 TYR HB2 . . 4.320 4.369 4.165 4.408 0.088 5 0 "[ . 1 . 2]" 1
1225 1 103 GLU HG2 1 104 ALA H . . 5.030 4.909 4.494 5.098 0.068 14 0 "[ . 1 . 2]" 1
1226 1 103 GLU HG2 1 106 TYR QE . . 4.640 4.669 3.956 5.153 0.513 4 1 "[ +. 1 . 2]" 1
1227 1 103 GLU HG3 1 104 ALA H . . 4.910 4.738 4.400 4.970 0.060 5 0 "[ . 1 . 2]" 1
1228 1 104 ALA H 1 104 ALA MB . . 3.220 2.278 2.202 2.378 . 0 0 "[ . 1 . 2]" 1
1229 1 104 ALA H 1 105 TYR H . . 3.320 2.743 2.479 3.030 . 0 0 "[ . 1 . 2]" 1
1230 1 104 ALA H 1 106 TYR H . . 5.190 4.047 3.771 4.383 . 0 0 "[ . 1 . 2]" 1
1231 1 104 ALA MB 1 105 TYR H . . 3.780 2.480 2.206 3.321 . 0 0 "[ . 1 . 2]" 1
1232 1 104 ALA MB 1 105 TYR HB2 . . 4.690 3.925 3.389 4.401 . 0 0 "[ . 1 . 2]" 1
1233 1 105 TYR H 1 105 TYR HB2 . . 3.290 2.295 1.985 2.747 . 0 0 "[ . 1 . 2]" 1
1234 1 105 TYR H 1 105 TYR HB3 . . 3.280 2.810 2.123 3.365 0.085 7 0 "[ . 1 . 2]" 1
1235 1 105 TYR H 1 105 TYR QD . . 4.670 3.741 2.202 4.370 . 0 0 "[ . 1 . 2]" 1
1236 1 105 TYR H 1 109 ARG QG . . 4.830 4.791 4.250 4.930 0.100 9 0 "[ . 1 . 2]" 1
1237 1 105 TYR HA 1 105 TYR QD . . 3.790 2.835 2.379 3.219 . 0 0 "[ . 1 . 2]" 1
1238 1 105 TYR HA 1 109 ARG H . . 4.780 3.430 1.918 4.698 . 0 0 "[ . 1 . 2]" 1
1239 1 105 TYR HA 1 109 ARG HA . . 3.540 2.795 2.167 3.648 0.108 9 0 "[ . 1 . 2]" 1
1240 1 105 TYR HA 1 109 ARG HB2 . . 4.330 3.078 1.923 4.821 0.491 14 0 "[ . 1 . 2]" 1
1241 1 105 TYR HA 1 110 ALA H . . 5.050 4.340 2.577 5.136 0.086 11 0 "[ . 1 . 2]" 1
1242 1 105 TYR HB3 1 106 TYR H . . 3.570 2.933 2.412 3.617 0.047 7 0 "[ . 1 . 2]" 1
1243 1 105 TYR QD 1 106 TYR H . . 4.550 4.163 3.071 4.646 0.096 9 0 "[ . 1 . 2]" 1
1244 1 105 TYR QD 1 109 ARG QD . . 4.380 3.533 2.002 4.476 0.096 17 0 "[ . 1 . 2]" 1
1245 1 105 TYR QD 1 109 ARG HE . . 5.150 4.277 2.642 5.235 0.085 15 0 "[ . 1 . 2]" 1
1246 1 105 TYR QD 1 109 ARG QG . . 4.650 2.884 2.063 4.745 0.095 6 0 "[ . 1 . 2]" 1
1247 1 106 TYR H 1 106 TYR HB2 . . 3.130 2.261 2.008 2.546 . 0 0 "[ . 1 . 2]" 1
1248 1 106 TYR H 1 106 TYR HB3 . . 3.740 3.487 3.278 3.658 . 0 0 "[ . 1 . 2]" 1
1249 1 106 TYR H 1 106 TYR QD . . 4.310 3.230 2.647 3.552 . 0 0 "[ . 1 . 2]" 1
1250 1 106 TYR H 1 107 GLN H . . 3.350 2.878 2.695 3.113 . 0 0 "[ . 1 . 2]" 1
1251 1 106 TYR HA 1 106 TYR QD . . 3.220 2.563 2.106 3.094 . 0 0 "[ . 1 . 2]" 1
1252 1 106 TYR HB2 1 107 GLN H . . 3.980 3.090 2.505 3.688 . 0 0 "[ . 1 . 2]" 1
1253 1 106 TYR HB2 1 107 GLN HE21 . . 4.420 3.617 2.407 4.169 . 0 0 "[ . 1 . 2]" 1
1254 1 106 TYR HB2 1 107 GLN HE22 . . 5.210 4.687 3.137 5.295 0.085 11 0 "[ . 1 . 2]" 1
1255 1 106 TYR HB3 1 107 GLN H . . 4.040 3.445 2.629 3.974 . 0 0 "[ . 1 . 2]" 1
1256 1 106 TYR QD 1 107 GLN H . . 5.320 4.725 4.404 5.047 . 0 0 "[ . 1 . 2]" 1
1257 1 107 GLN H 1 107 GLN HB2 . . 3.110 2.821 2.372 4.010 0.900 18 3 "[ . *- . + 2]" 1
1258 1 107 GLN H 1 107 GLN HE21 . . 4.470 4.011 2.506 4.547 0.077 8 0 "[ . 1 . 2]" 1
1259 1 107 GLN H 1 107 GLN HG3 . . 3.870 3.676 2.783 3.966 0.096 2 0 "[ . 1 . 2]" 1
1260 1 107 GLN H 1 108 ARG HB2 . . 5.500 4.815 3.996 6.190 0.690 19 3 "[ . 1 *-. +2]" 1
1261 1 107 GLN H 1 108 ARG HG3 . . 5.320 4.892 4.154 5.398 0.078 11 0 "[ . 1 . 2]" 1
1262 1 107 GLN HA 1 107 GLN HG2 . . 3.630 3.202 2.592 3.705 0.075 18 0 "[ . 1 . 2]" 1
1263 1 107 GLN HA 1 107 GLN HG3 . . 3.710 3.176 2.065 3.792 0.082 11 0 "[ . 1 . 2]" 1
1264 1 107 GLN HB2 1 108 ARG HG2 . . 4.270 3.873 2.814 4.345 0.075 8 0 "[ . 1 . 2]" 1
1265 1 107 GLN HB3 1 108 ARG H . . 3.740 3.215 2.524 3.875 0.135 10 0 "[ . 1 . 2]" 1
1266 1 108 ARG H 1 108 ARG HB2 . . 3.260 2.980 2.308 3.977 0.717 3 3 "[ + . 1 -. *2]" 1
1267 1 108 ARG H 1 108 ARG HE . . 5.180 4.494 2.016 5.237 0.057 4 0 "[ . 1 . 2]" 1
1268 1 108 ARG H 1 108 ARG HG3 . . 4.160 3.012 2.201 4.119 . 0 0 "[ . 1 . 2]" 1
1269 1 108 ARG H 1 109 ARG H . . 3.790 3.239 2.309 3.871 0.081 14 0 "[ . 1 . 2]" 1
1270 1 108 ARG HA 1 108 ARG HB2 . . 3.000 2.902 2.345 3.050 0.050 5 0 "[ . 1 . 2]" 1
1271 1 108 ARG HA 1 108 ARG HG2 . . 3.610 3.011 2.336 4.061 0.451 14 0 "[ . 1 . 2]" 1
1272 1 108 ARG HA 1 108 ARG HG3 . . 3.970 3.597 2.600 4.041 0.071 18 0 "[ . 1 . 2]" 1
1273 1 108 ARG HB2 1 108 ARG QD . . 3.560 2.835 2.138 3.499 . 0 0 "[ . 1 . 2]" 1
1274 1 108 ARG HB2 1 108 ARG HE . . 5.250 4.015 2.644 4.757 . 0 0 "[ . 1 . 2]" 1
1275 1 108 ARG HB2 1 108 ARG HG2 . . 2.820 2.801 2.447 2.922 0.102 19 0 "[ . 1 . 2]" 1
1276 1 108 ARG HB2 1 108 ARG HG3 . . 2.740 2.437 2.181 2.999 0.259 3 0 "[ . 1 . 2]" 1
1277 1 109 ARG H 1 109 ARG HB2 . . 3.650 2.737 2.267 3.696 0.046 5 0 "[ . 1 . 2]" 1
1278 1 109 ARG H 1 109 ARG HB3 . . 3.670 3.362 2.377 3.758 0.088 1 0 "[ . 1 . 2]" 1
1279 1 109 ARG H 1 109 ARG QG . . 4.140 3.723 2.190 4.191 0.051 1 0 "[ . 1 . 2]" 1
1280 1 109 ARG H 1 110 ALA H . . 4.120 3.735 2.499 4.216 0.096 3 0 "[ . 1 . 2]" 1
1281 1 109 ARG HA 1 109 ARG QD . . 3.950 3.675 2.129 4.052 0.102 9 0 "[ . 1 . 2]" 1
1282 1 109 ARG HA 1 109 ARG QG . . 3.660 2.367 2.157 3.354 . 0 0 "[ . 1 . 2]" 1
1283 1 109 ARG HA 1 110 ALA H . . 3.270 2.402 2.064 3.196 . 0 0 "[ . 1 . 2]" 1
1284 1 109 ARG HA 1 110 ALA MB . . 4.470 4.250 3.959 4.566 0.096 9 0 "[ . 1 . 2]" 1
1285 1 109 ARG HA 1 111 SER H . . 3.980 3.808 2.893 4.062 0.082 6 0 "[ . 1 . 2]" 1
1286 1 109 ARG HB2 1 109 ARG QD . . 3.710 2.702 2.182 3.586 . 0 0 "[ . 1 . 2]" 1
1287 1 109 ARG HB2 1 109 ARG HE . . 5.260 4.071 2.592 4.850 . 0 0 "[ . 1 . 2]" 1
1288 1 109 ARG HB2 1 110 ALA H . . 4.790 4.323 3.570 4.678 . 0 0 "[ . 1 . 2]" 1
1289 1 109 ARG HB3 1 109 ARG HE . . 4.900 3.743 2.298 4.689 . 0 0 "[ . 1 . 2]" 1
1290 1 109 ARG HB3 1 110 ALA H . . 4.650 4.052 2.520 4.584 . 0 0 "[ . 1 . 2]" 1
1291 1 109 ARG QG 1 110 ALA H . . 5.100 3.582 1.698 4.893 . 0 0 "[ . 1 . 2]" 1
1292 1 110 ALA H 1 111 SER H . . 3.810 3.056 2.504 3.874 0.064 17 0 "[ . 1 . 2]" 1
1293 1 110 ALA MB 1 111 SER H . . 5.410 3.387 2.107 3.786 . 0 0 "[ . 1 . 2]" 1
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