NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
577699 |
2mov   |
19953 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mov
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 833
_Distance_constraint_stats_list.Viol_count 2072
_Distance_constraint_stats_list.Viol_total 3821.684
_Distance_constraint_stats_list.Viol_max 0.572
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0115
_Distance_constraint_stats_list.Viol_average_violations_only 0.0922
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 SER 1.197 0.164 19 0 "[ . 1 . 2]"
1 3 ALA 0.742 0.164 19 0 "[ . 1 . 2]"
1 4 GLN 5.539 0.282 12 0 "[ . 1 . 2]"
1 5 ASN 3.866 0.238 6 0 "[ . 1 . 2]"
1 6 ILE 5.882 0.252 9 0 "[ . 1 . 2]"
1 7 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.100 0.070 12 0 "[ . 1 . 2]"
1 9 ARG 3.232 0.156 18 0 "[ . 1 . 2]"
1 10 ILE 3.443 0.118 8 0 "[ . 1 . 2]"
1 11 GLY 2.077 0.151 15 0 "[ . 1 . 2]"
1 12 GLU 1.886 0.143 11 0 "[ . 1 . 2]"
1 13 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 3.406 0.222 3 0 "[ . 1 . 2]"
1 15 VAL 0.507 0.029 8 0 "[ . 1 . 2]"
1 16 LEU 3.548 0.232 7 0 "[ . 1 . 2]"
1 17 LYS 1.053 0.183 12 0 "[ . 1 . 2]"
1 18 CYS 4.669 0.183 12 0 "[ . 1 . 2]"
1 19 LYS 5.796 0.283 13 0 "[ . 1 . 2]"
1 20 GLY 1.319 0.144 18 0 "[ . 1 . 2]"
1 21 ALA 5.972 0.334 5 0 "[ . 1 . 2]"
1 22 PRO 0.016 0.016 17 0 "[ . 1 . 2]"
1 23 LYS 4.927 0.465 7 0 "[ . 1 . 2]"
1 24 LYS 9.498 0.465 7 0 "[ . 1 . 2]"
1 28 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 5.385 0.334 5 0 "[ . 1 . 2]"
1 30 GLU 0.791 0.162 9 0 "[ . 1 . 2]"
1 31 TRP 3.982 0.259 5 0 "[ . 1 . 2]"
1 32 LYS 2.106 0.137 13 0 "[ . 1 . 2]"
1 33 LEU 4.576 0.363 17 0 "[ . 1 . 2]"
1 34 ASN 1.058 0.220 17 0 "[ . 1 . 2]"
1 35 THR 0.749 0.090 12 0 "[ . 1 . 2]"
1 36 GLY 6.271 0.283 7 0 "[ . 1 . 2]"
1 37 ARG 1.473 0.505 10 1 "[ . + . 2]"
1 38 THR 8.583 0.505 10 1 "[ . + . 2]"
1 39 GLU 5.359 0.255 6 0 "[ . 1 . 2]"
1 40 ALA 4.348 0.385 10 0 "[ . 1 . 2]"
1 41 TRP 4.215 0.255 14 0 "[ . 1 . 2]"
1 42 LYS 5.690 0.363 17 0 "[ . 1 . 2]"
1 43 VAL 0.298 0.055 14 0 "[ . 1 . 2]"
1 44 LEU 4.537 0.259 5 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PRO 0.197 0.031 8 0 "[ . 1 . 2]"
1 47 GLN 2.807 0.224 7 0 "[ . 1 . 2]"
1 48 GLY 1.291 0.354 2 0 "[ . 1 . 2]"
1 49 GLY 4.151 0.354 2 0 "[ . 1 . 2]"
1 50 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 PRO 7.043 0.273 7 0 "[ . 1 . 2]"
1 52 TRP 16.403 0.448 16 0 "[ . 1 . 2]"
1 53 ASP 3.646 0.214 10 0 "[ . 1 . 2]"
1 54 SER 5.935 0.272 15 0 "[ . 1 . 2]"
1 55 VAL 3.825 0.272 15 0 "[ . 1 . 2]"
1 56 ALA 1.723 0.572 6 3 "[ .+ 1* -. 2]"
1 57 ARG 15.571 0.572 6 3 "[ .+ 1* -. 2]"
1 58 VAL 2.310 0.224 7 0 "[ . 1 . 2]"
1 59 LEU 3.828 0.141 1 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 4.605 0.273 7 0 "[ . 1 . 2]"
1 62 GLY 2.469 0.141 1 0 "[ . 1 . 2]"
1 63 SER 1.208 0.108 7 0 "[ . 1 . 2]"
1 64 LEU 3.192 0.232 7 0 "[ . 1 . 2]"
1 65 PHE 7.183 0.290 7 0 "[ . 1 . 2]"
1 66 LEU 4.409 0.222 3 0 "[ . 1 . 2]"
1 67 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 VAL 4.378 0.151 15 0 "[ . 1 . 2]"
1 70 GLY 0.555 0.049 10 0 "[ . 1 . 2]"
1 71 ILE 16.150 0.342 9 0 "[ . 1 . 2]"
1 72 GLN 3.979 0.120 19 0 "[ . 1 . 2]"
1 73 ASP 2.715 0.112 18 0 "[ . 1 . 2]"
1 74 GLU 15.373 0.342 9 0 "[ . 1 . 2]"
1 75 GLY 3.561 0.200 4 0 "[ . 1 . 2]"
1 76 ILE 1.006 0.151 10 0 "[ . 1 . 2]"
1 77 PHE 1.834 0.128 12 0 "[ . 1 . 2]"
1 78 ARG 6.079 0.256 11 0 "[ . 1 . 2]"
1 79 CYS 5.582 0.353 10 0 "[ . 1 . 2]"
1 80 GLN 0.791 0.162 9 0 "[ . 1 . 2]"
1 81 ALA 1.754 0.134 18 0 "[ . 1 . 2]"
1 82 MET 1.094 0.154 11 0 "[ . 1 . 2]"
1 83 ASN 2.718 0.144 18 0 "[ . 1 . 2]"
1 85 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LYS 1.990 0.338 5 0 "[ . 1 . 2]"
1 88 GLU 1.475 0.113 16 0 "[ . 1 . 2]"
1 89 THR 1.343 0.113 16 0 "[ . 1 . 2]"
1 90 LYS 1.830 0.234 5 0 "[ . 1 . 2]"
1 91 SER 9.827 0.353 10 0 "[ . 1 . 2]"
1 92 ASN 7.153 0.282 12 0 "[ . 1 . 2]"
1 93 TYR 3.382 0.128 12 0 "[ . 1 . 2]"
1 94 ARG 6.660 0.246 14 0 "[ . 1 . 2]"
1 95 VAL 11.526 0.342 3 0 "[ . 1 . 2]"
1 96 ARG 12.125 0.342 3 0 "[ . 1 . 2]"
1 97 VAL 4.152 0.152 4 0 "[ . 1 . 2]"
1 98 TYR 11.464 0.302 8 0 "[ . 1 . 2]"
1 99 GLN 3.360 0.151 12 0 "[ . 1 . 2]"
1 100 ILE 3.509 0.151 12 0 "[ . 1 . 2]"
1 101 PRO 0.020 0.020 15 0 "[ . 1 . 2]"
1 102 GLY 0.046 0.026 4 0 "[ . 1 . 2]"
1 103 LYS 0.026 0.026 4 0 "[ . 1 . 2]"
1 104 PRO 0.006 0.006 4 0 "[ . 1 . 2]"
1 105 GLU 0.006 0.006 4 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 19 LYS QG . . 4.300 2.297 1.914 3.848 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER H 1 3 ALA H . . 4.200 3.875 3.281 4.364 0.164 19 0 "[ . 1 . 2]" 1
3 1 2 SER H 1 3 ALA MB . . 6.140 5.139 4.670 5.504 . 0 0 "[ . 1 . 2]" 1
4 1 2 SER H 1 19 LYS QE . . 5.160 5.174 4.982 5.215 0.055 18 0 "[ . 1 . 2]" 1
5 1 2 SER H 1 19 LYS QG . . 5.240 4.027 3.305 5.171 . 0 0 "[ . 1 . 2]" 1
6 1 3 ALA HA 1 4 GLN QB . . 5.500 4.316 4.128 4.494 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA MB 1 4 GLN QB . . 5.050 4.878 4.833 4.927 . 0 0 "[ . 1 . 2]" 1
8 1 4 GLN H 1 4 GLN QB . . 3.880 2.249 2.170 2.340 . 0 0 "[ . 1 . 2]" 1
9 1 4 GLN H 1 92 ASN O . . 2.060 2.246 2.156 2.342 0.282 12 0 "[ . 1 . 2]" 1
10 1 4 GLN H 1 93 TYR HA . . 3.790 2.219 2.032 2.383 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLN HA 1 5 ASN H . . 3.190 2.175 2.161 2.202 . 0 0 "[ . 1 . 2]" 1
12 1 4 GLN HA 1 5 ASN HA . . 5.130 4.358 4.346 4.366 . 0 0 "[ . 1 . 2]" 1
13 1 4 GLN HA 1 5 ASN QB . . 4.620 4.374 3.998 4.620 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLN QB 1 5 ASN H . . 4.000 3.520 3.345 3.696 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLN QB 1 5 ASN HA . . 5.090 4.555 4.422 4.826 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLN QB 1 5 ASN QB . . 5.230 5.241 4.964 5.405 0.175 1 0 "[ . 1 . 2]" 1
17 1 4 GLN QB 1 93 TYR HA . . 3.670 3.061 2.796 3.200 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN QE 1 6 ILE MD . . 3.190 2.462 1.815 3.036 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN QG 1 6 ILE MD . . 3.850 2.835 1.758 3.677 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN O 1 94 ARG H . . 1.990 1.935 1.786 2.116 0.126 18 0 "[ . 1 . 2]" 1
21 1 5 ASN H 1 5 ASN QB . . 3.700 2.626 2.133 2.819 . 0 0 "[ . 1 . 2]" 1
22 1 5 ASN HA 1 5 ASN QD . . 3.950 3.765 2.883 3.962 0.012 2 0 "[ . 1 . 2]" 1
23 1 5 ASN HA 1 6 ILE H . . 3.160 2.140 2.140 2.142 . 0 0 "[ . 1 . 2]" 1
24 1 5 ASN HA 1 6 ILE HA . . 5.500 4.394 4.393 4.395 . 0 0 "[ . 1 . 2]" 1
25 1 5 ASN HA 1 6 ILE HB . . 5.500 4.518 4.370 4.709 . 0 0 "[ . 1 . 2]" 1
26 1 5 ASN HA 1 94 ARG QB . . 3.730 2.842 2.056 3.968 0.238 6 0 "[ . 1 . 2]" 1
27 1 5 ASN QB 1 6 ILE H . . 4.180 3.339 3.293 3.610 . 0 0 "[ . 1 . 2]" 1
28 1 5 ASN QB 1 6 ILE HA . . 5.060 4.351 4.125 4.515 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASN QB 1 6 ILE HB . . 5.500 5.574 5.490 5.642 0.142 3 0 "[ . 1 . 2]" 1
30 1 5 ASN QB 1 94 ARG QB . . 5.340 4.004 3.250 5.286 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN QB 1 94 ARG QG . . 5.230 4.204 2.687 5.310 0.080 10 0 "[ . 1 . 2]" 1
32 1 6 ILE H 1 94 ARG O . . 1.960 1.950 1.852 2.043 0.083 18 0 "[ . 1 . 2]" 1
33 1 6 ILE HA 1 6 ILE MG . . 3.590 2.427 2.296 2.583 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HA 1 7 THR H . . 3.220 2.144 2.140 2.152 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HB 1 16 LEU QD . . 3.900 3.515 3.167 3.888 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE QG 1 16 LEU MD2 . . 3.510 2.898 2.283 3.339 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE MG 1 7 THR H . . 3.370 2.637 2.470 2.734 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE MG 1 8 ALA MB . . 3.980 3.109 2.965 3.415 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE O 1 96 ARG H . . 1.980 2.183 2.138 2.232 0.252 9 0 "[ . 1 . 2]" 1
40 1 7 THR H 1 7 THR HB . . 3.800 3.587 3.508 3.664 . 0 0 "[ . 1 . 2]" 1
41 1 7 THR HA 1 7 THR HB . . 2.790 2.596 2.486 2.682 . 0 0 "[ . 1 . 2]" 1
42 1 7 THR HA 1 8 ALA H . . 3.230 2.208 2.187 2.221 . 0 0 "[ . 1 . 2]" 1
43 1 7 THR HB 1 8 ALA H . . 4.350 3.008 2.917 3.132 . 0 0 "[ . 1 . 2]" 1
44 1 7 THR HB 1 8 ALA HA . . 4.370 4.161 4.066 4.339 . 0 0 "[ . 1 . 2]" 1
45 1 7 THR HB 1 8 ALA MB . . 4.910 4.758 4.717 4.812 . 0 0 "[ . 1 . 2]" 1
46 1 7 THR MG 1 8 ALA H . . 3.840 3.559 3.266 3.830 . 0 0 "[ . 1 . 2]" 1
47 1 8 ALA H 1 96 ARG O . . 2.030 1.918 1.793 2.100 0.070 12 0 "[ . 1 . 2]" 1
48 1 8 ALA HA 1 9 ARG H . . 2.970 2.439 2.418 2.455 . 0 0 "[ . 1 . 2]" 1
49 1 8 ALA HA 1 9 ARG QD . . 5.500 3.616 2.762 4.150 . 0 0 "[ . 1 . 2]" 1
50 1 8 ALA HA 1 69 VAL QG . . 4.950 4.095 3.764 4.338 . 0 0 "[ . 1 . 2]" 1
51 1 8 ALA MB 1 9 ARG HA . . 4.610 3.998 3.949 4.044 . 0 0 "[ . 1 . 2]" 1
52 1 8 ALA MB 1 14 LEU MD2 . . 3.610 2.287 1.865 2.688 . 0 0 "[ . 1 . 2]" 1
53 1 8 ALA MB 1 97 VAL QG . . 3.680 3.019 2.605 3.247 . 0 0 "[ . 1 . 2]" 1
54 1 9 ARG H 1 9 ARG QB . . 3.150 2.407 2.358 2.510 . 0 0 "[ . 1 . 2]" 1
55 1 9 ARG H 1 9 ARG QD . . 3.930 3.299 2.468 3.696 . 0 0 "[ . 1 . 2]" 1
56 1 9 ARG H 1 97 VAL HB . . 5.390 5.484 5.419 5.542 0.152 4 0 "[ . 1 . 2]" 1
57 1 9 ARG H 1 98 TYR H . . 5.150 5.175 5.043 5.306 0.156 18 0 "[ . 1 . 2]" 1
58 1 9 ARG HA 1 9 ARG QB . . 2.520 2.505 2.427 2.527 0.007 12 0 "[ . 1 . 2]" 1
59 1 9 ARG HA 1 9 ARG QD . . 3.610 3.205 2.827 3.587 . 0 0 "[ . 1 . 2]" 1
60 1 9 ARG HA 1 9 ARG QG . . 2.900 2.106 2.023 2.316 . 0 0 "[ . 1 . 2]" 1
61 1 9 ARG HA 1 10 ILE H . . 3.040 2.266 2.259 2.277 . 0 0 "[ . 1 . 2]" 1
62 1 9 ARG HA 1 10 ILE HA . . 5.030 4.308 4.303 4.316 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG HA 1 10 ILE HB . . 5.500 4.794 4.740 4.845 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG HA 1 12 GLU QB . . 5.500 4.437 3.973 5.084 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG HA 1 69 VAL QG . . 5.170 4.277 3.992 4.491 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG HA 1 97 VAL HB . . 4.710 3.740 3.637 3.847 . 0 0 "[ . 1 . 2]" 1
67 1 9 ARG HA 1 97 VAL QG . . 4.790 4.114 3.886 4.241 . 0 0 "[ . 1 . 2]" 1
68 1 9 ARG QB 1 9 ARG QD . . 2.750 2.045 1.953 2.164 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG QB 1 9 ARG QG . . 2.420 2.021 2.014 2.032 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG QB 1 10 ILE H . . 3.260 2.883 2.738 2.970 . 0 0 "[ . 1 . 2]" 1
71 1 9 ARG QB 1 10 ILE HB . . 4.980 4.438 4.341 4.585 . 0 0 "[ . 1 . 2]" 1
72 1 9 ARG QB 1 12 GLU H . . 4.880 3.884 3.691 4.071 . 0 0 "[ . 1 . 2]" 1
73 1 9 ARG QB 1 12 GLU QB . . 3.790 2.723 1.907 3.022 . 0 0 "[ . 1 . 2]" 1
74 1 9 ARG QB 1 12 GLU QG . . 3.050 1.947 1.753 3.054 0.004 11 0 "[ . 1 . 2]" 1
75 1 9 ARG QB 1 98 TYR H . . 5.340 4.564 4.418 4.733 . 0 0 "[ . 1 . 2]" 1
76 1 9 ARG QD 1 12 GLU QG . . 3.280 3.258 3.164 3.423 0.143 11 0 "[ . 1 . 2]" 1
77 1 9 ARG QG 1 10 ILE H . . 3.630 3.312 3.189 3.736 0.106 13 0 "[ . 1 . 2]" 1
78 1 9 ARG O 1 12 GLU H . . 2.380 1.988 1.855 2.227 . 0 0 "[ . 1 . 2]" 1
79 1 10 ILE H 1 10 ILE HB . . 2.780 2.542 2.492 2.595 . 0 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 10 ILE MD . . 3.850 3.199 3.116 3.364 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE H 1 10 ILE QG . . 4.160 2.090 1.957 2.203 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE H 1 12 GLU H . . 5.330 4.566 4.441 4.656 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE H 1 97 VAL HB . . 6.240 3.426 3.278 3.628 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE H 1 98 TYR H . . 3.510 2.641 2.409 2.902 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE H 1 99 GLN H . . 5.040 4.276 4.103 4.451 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE H 1 99 GLN QB . . 5.450 5.492 5.448 5.530 0.080 19 0 "[ . 1 . 2]" 1
87 1 10 ILE HA 1 10 ILE MD . . 3.900 3.871 3.844 3.883 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE HA 1 11 GLY H . . 3.270 2.144 2.143 2.146 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE HA 1 11 GLY HA2 . . 4.450 4.388 4.384 4.393 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE HA 1 11 GLY HA3 . . 4.450 4.398 4.394 4.400 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE HB 1 11 GLY H . . 4.700 4.277 4.253 4.309 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE HB 1 11 GLY QA . . 5.000 4.521 4.484 4.583 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE HB 1 98 TYR H . . 4.840 4.521 4.396 4.680 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE HB 1 98 TYR HA . . 6.500 6.386 6.123 6.563 0.063 18 0 "[ . 1 . 2]" 1
95 1 10 ILE MD 1 71 ILE H . . 4.370 3.481 3.308 3.631 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MD 1 71 ILE HA . . 3.740 3.540 3.250 3.715 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE MD 1 71 ILE HB . . 4.250 2.200 2.007 2.422 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE MD 1 71 ILE QG . . 4.440 1.969 1.899 2.192 . 0 0 "[ . 1 . 2]" 1
99 1 10 ILE MD 1 72 GLN H . . 5.330 5.350 5.184 5.445 0.115 8 0 "[ . 1 . 2]" 1
100 1 10 ILE MD 1 97 VAL QG . . 3.550 2.794 2.048 3.111 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE MD 1 98 TYR HA . . 4.440 4.508 4.442 4.558 0.118 8 0 "[ . 1 . 2]" 1
102 1 10 ILE MD 1 98 TYR QB . . 3.990 2.069 1.955 2.402 . 0 0 "[ . 1 . 2]" 1
103 1 10 ILE MD 1 99 GLN H . . 5.400 1.864 1.830 1.892 . 0 0 "[ . 1 . 2]" 1
104 1 10 ILE MD 1 99 GLN QB . . 3.510 1.997 1.869 2.121 . 0 0 "[ . 1 . 2]" 1
105 1 10 ILE MD 1 99 GLN QG . . 3.880 3.536 3.315 3.673 . 0 0 "[ . 1 . 2]" 1
106 1 10 ILE MD 1 100 ILE H . . 6.210 5.197 4.983 5.354 . 0 0 "[ . 1 . 2]" 1
107 1 10 ILE QG 1 71 ILE HB . . 3.890 2.351 2.130 2.675 . 0 0 "[ . 1 . 2]" 1
108 1 10 ILE QG 1 98 TYR HA . . 5.500 4.674 4.358 4.929 . 0 0 "[ . 1 . 2]" 1
109 1 10 ILE MG 1 11 GLY H . . 3.390 2.633 2.544 2.757 . 0 0 "[ . 1 . 2]" 1
110 1 10 ILE MG 1 71 ILE HB . . 5.480 3.099 2.854 3.547 . 0 0 "[ . 1 . 2]" 1
111 1 11 GLY H 1 12 GLU H . . 3.760 2.434 2.392 2.506 . 0 0 "[ . 1 . 2]" 1
112 1 11 GLY H 1 12 GLU QB . . 4.700 4.635 4.425 4.757 0.057 18 0 "[ . 1 . 2]" 1
113 1 11 GLY H 1 69 VAL O . . 1.930 2.021 1.958 2.081 0.151 15 0 "[ . 1 . 2]" 1
114 1 11 GLY QA 1 12 GLU QB . . 5.340 4.535 4.244 4.694 . 0 0 "[ . 1 . 2]" 1
115 1 11 GLY QA 1 68 ALA MB . . 3.650 2.127 1.969 2.607 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLU H 1 12 GLU QB . . 3.150 2.469 2.226 2.553 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLU H 1 12 GLU QG . . 3.250 2.704 2.457 3.353 0.103 11 0 "[ . 1 . 2]" 1
118 1 12 GLU HA 1 12 GLU QB . . 2.400 2.292 2.160 2.378 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLU HA 1 13 PRO QD . . 3.080 1.987 1.978 2.001 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLU QB 1 13 PRO QD . . 3.100 2.398 2.283 2.690 . 0 0 "[ . 1 . 2]" 1
121 1 12 GLU O 1 69 VAL H . . 1.980 2.029 1.891 2.121 0.141 19 0 "[ . 1 . 2]" 1
122 1 13 PRO HA 1 14 LEU H . . 3.390 2.206 2.196 2.215 . 0 0 "[ . 1 . 2]" 1
123 1 13 PRO HA 1 14 LEU HB2 . . 5.500 4.350 4.267 4.559 . 0 0 "[ . 1 . 2]" 1
124 1 13 PRO HA 1 14 LEU HB3 . . 5.500 4.608 4.391 4.701 . 0 0 "[ . 1 . 2]" 1
125 1 13 PRO QB 1 14 LEU H . . 4.280 3.049 3.016 3.085 . 0 0 "[ . 1 . 2]" 1
126 1 13 PRO QB 1 14 LEU QB . . 5.340 4.696 4.692 4.705 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU H 1 14 LEU QB . . 3.620 2.667 2.634 2.691 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU H 1 15 VAL QG . . 4.970 3.901 3.761 4.025 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU H 1 66 LEU QB . . 3.810 2.278 2.104 2.481 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU H 1 66 LEU O . . 2.200 2.339 2.230 2.422 0.222 3 0 "[ . 1 . 2]" 1
131 1 14 LEU HA 1 14 LEU QD . . 3.760 2.111 1.966 2.365 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU HA 1 14 LEU HG . . 3.230 2.966 2.763 3.211 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HA 1 15 VAL H . . 3.200 2.221 2.210 2.233 . 0 0 "[ . 1 . 2]" 1
134 1 14 LEU HA 1 15 VAL QG . . 4.950 3.396 3.268 3.459 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU QB 1 15 VAL QG . . 5.060 4.411 4.344 4.453 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU QB 1 66 LEU H . . 4.140 4.123 4.016 4.239 0.099 19 0 "[ . 1 . 2]" 1
137 1 14 LEU QB 1 69 VAL MG1 . . 3.320 2.071 1.822 2.251 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU MD1 1 15 VAL H . . 3.200 2.639 1.961 2.940 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU MD2 1 16 LEU MD2 . . 3.300 2.901 2.465 3.082 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU HG 1 16 LEU HG . . 3.400 3.283 2.882 3.411 0.011 19 0 "[ . 1 . 2]" 1
141 1 14 LEU HG 1 66 LEU QD . . 5.240 3.481 2.815 4.025 . 0 0 "[ . 1 . 2]" 1
142 1 14 LEU O 1 66 LEU H . . 1.890 1.890 1.833 1.958 0.068 14 0 "[ . 1 . 2]" 1
143 1 15 VAL H 1 15 VAL HB . . 3.730 2.745 2.717 2.856 . 0 0 "[ . 1 . 2]" 1
144 1 15 VAL H 1 15 VAL MG1 . . 4.010 3.895 3.887 3.916 . 0 0 "[ . 1 . 2]" 1
145 1 15 VAL H 1 15 VAL QG . . 3.130 2.639 2.484 2.717 . 0 0 "[ . 1 . 2]" 1
146 1 15 VAL H 1 15 VAL MG2 . . 4.010 2.685 2.512 2.774 . 0 0 "[ . 1 . 2]" 1
147 1 15 VAL H 1 16 LEU H . . 4.440 4.461 4.447 4.469 0.029 8 0 "[ . 1 . 2]" 1
148 1 15 VAL HA 1 15 VAL MG1 . . 2.550 2.337 2.292 2.364 . 0 0 "[ . 1 . 2]" 1
149 1 15 VAL HA 1 15 VAL MG2 . . 2.550 2.408 2.352 2.507 . 0 0 "[ . 1 . 2]" 1
150 1 15 VAL HA 1 16 LEU H . . 3.130 2.246 2.222 2.263 . 0 0 "[ . 1 . 2]" 1
151 1 15 VAL HA 1 16 LEU HA . . 5.000 4.427 4.422 4.430 . 0 0 "[ . 1 . 2]" 1
152 1 15 VAL HA 1 16 LEU QB . . 4.910 4.268 4.206 4.489 . 0 0 "[ . 1 . 2]" 1
153 1 15 VAL HA 1 16 LEU QD . . 4.320 4.230 3.819 4.347 0.027 15 0 "[ . 1 . 2]" 1
154 1 15 VAL HA 1 59 LEU QD . . 5.080 4.821 4.156 5.102 0.022 3 0 "[ . 1 . 2]" 1
155 1 15 VAL HA 1 64 LEU QB . . 5.370 4.513 4.227 4.646 . 0 0 "[ . 1 . 2]" 1
156 1 15 VAL HB 1 59 LEU QD . . 5.440 4.970 4.691 5.359 . 0 0 "[ . 1 . 2]" 1
157 1 15 VAL QG 1 16 LEU QD . . 5.110 4.189 4.014 4.330 . 0 0 "[ . 1 . 2]" 1
158 1 15 VAL QG 1 59 LEU QD . . 4.850 2.557 2.377 2.836 . 0 0 "[ . 1 . 2]" 1
159 1 15 VAL QG 1 64 LEU H . . 4.180 3.115 2.966 3.219 . 0 0 "[ . 1 . 2]" 1
160 1 15 VAL QG 1 66 LEU H . . 5.350 3.150 3.038 3.357 . 0 0 "[ . 1 . 2]" 1
161 1 15 VAL MG1 1 63 SER QB . . 3.290 2.911 2.800 2.956 . 0 0 "[ . 1 . 2]" 1
162 1 16 LEU H 1 16 LEU QD . . 4.600 3.594 3.302 3.675 . 0 0 "[ . 1 . 2]" 1
163 1 16 LEU H 1 64 LEU O . . 1.930 1.818 1.785 1.889 . 0 0 "[ . 1 . 2]" 1
164 1 16 LEU HA 1 16 LEU MD1 . . 3.980 3.877 3.812 3.983 0.003 6 0 "[ . 1 . 2]" 1
165 1 16 LEU HA 1 16 LEU QD . . 3.170 2.235 1.941 2.742 . 0 0 "[ . 1 . 2]" 1
166 1 16 LEU HA 1 16 LEU MD2 . . 3.980 2.252 1.947 2.800 . 0 0 "[ . 1 . 2]" 1
167 1 16 LEU HA 1 17 LYS H . . 2.920 2.262 2.246 2.280 . 0 0 "[ . 1 . 2]" 1
168 1 16 LEU HA 1 17 LYS HA . . 5.360 4.389 4.379 4.395 . 0 0 "[ . 1 . 2]" 1
169 1 16 LEU HA 1 17 LYS QB . . 4.040 3.962 3.913 4.004 . 0 0 "[ . 1 . 2]" 1
170 1 16 LEU QB 1 17 LYS H . . 3.240 2.730 2.688 2.769 . 0 0 "[ . 1 . 2]" 1
171 1 16 LEU QB 1 17 LYS HA . . 5.150 4.177 4.160 4.225 . 0 0 "[ . 1 . 2]" 1
172 1 16 LEU QB 1 17 LYS QB . . 4.600 4.541 4.507 4.575 . 0 0 "[ . 1 . 2]" 1
173 1 16 LEU QB 1 64 LEU H . . 3.880 3.588 3.218 3.938 0.058 5 0 "[ . 1 . 2]" 1
174 1 16 LEU QB 1 64 LEU QB . . 3.040 2.119 1.951 2.430 . 0 0 "[ . 1 . 2]" 1
175 1 16 LEU QB 1 95 VAL QG . . 5.340 4.629 4.369 4.890 . 0 0 "[ . 1 . 2]" 1
176 1 16 LEU MD1 1 77 PHE QB . . 3.360 2.280 1.869 2.800 . 0 0 "[ . 1 . 2]" 1
177 1 16 LEU O 1 64 LEU H . . 1.870 2.016 1.924 2.102 0.232 7 0 "[ . 1 . 2]" 1
178 1 17 LYS H 1 17 LYS QB . . 3.450 2.435 2.386 2.468 . 0 0 "[ . 1 . 2]" 1
179 1 17 LYS HA 1 17 LYS QE . . 3.560 3.445 3.332 3.560 0.000 6 0 "[ . 1 . 2]" 1
180 1 17 LYS HA 1 17 LYS QG . . 2.870 2.258 2.083 2.466 . 0 0 "[ . 1 . 2]" 1
181 1 17 LYS HA 1 18 CYS H . . 3.220 2.289 2.266 2.319 . 0 0 "[ . 1 . 2]" 1
182 1 17 LYS HA 1 18 CYS HB2 . . 5.500 4.408 4.109 4.831 . 0 0 "[ . 1 . 2]" 1
183 1 17 LYS HA 1 18 CYS HB3 . . 5.500 5.115 4.504 5.683 0.183 12 0 "[ . 1 . 2]" 1
184 1 17 LYS QB 1 17 LYS QE . . 4.140 2.203 1.983 2.508 . 0 0 "[ . 1 . 2]" 1
185 1 17 LYS QB 1 18 CYS H . . 4.250 3.372 3.170 3.498 . 0 0 "[ . 1 . 2]" 1
186 1 17 LYS QB 1 18 CYS HA . . 4.620 4.462 4.284 4.618 . 0 0 "[ . 1 . 2]" 1
187 1 17 LYS QB 1 18 CYS QB . . 5.340 5.049 4.804 5.345 0.005 9 0 "[ . 1 . 2]" 1
188 1 17 LYS QG 1 18 CYS HA . . 5.310 4.271 3.852 4.967 . 0 0 "[ . 1 . 2]" 1
189 1 17 LYS QG 1 18 CYS QB . . 4.330 4.079 3.836 4.337 0.007 2 0 "[ . 1 . 2]" 1
190 1 17 LYS QG 1 63 SER QB . . 4.770 4.353 3.952 4.679 . 0 0 "[ . 1 . 2]" 1
191 1 17 LYS QG 1 63 SER HG . . 3.810 3.396 2.738 3.809 . 0 0 "[ . 1 . 2]" 1
192 1 18 CYS CB 1 79 CYS SG . . 3.100 3.033 2.909 3.181 0.081 18 0 "[ . 1 . 2]" 1
193 1 18 CYS H 1 63 SER HA . . 3.720 3.538 3.226 3.784 0.064 7 0 "[ . 1 . 2]" 1
194 1 18 CYS HA 1 18 CYS QB . . 2.530 2.394 2.292 2.497 . 0 0 "[ . 1 . 2]" 1
195 1 18 CYS HA 1 19 LYS H . . 3.200 2.181 2.176 2.188 . 0 0 "[ . 1 . 2]" 1
196 1 18 CYS HA 1 19 LYS QB . . 4.840 4.350 4.069 4.523 . 0 0 "[ . 1 . 2]" 1
197 1 18 CYS HA 1 19 LYS QD . . 4.190 4.147 3.716 4.319 0.129 8 0 "[ . 1 . 2]" 1
198 1 18 CYS HA 1 19 LYS QG . . 5.490 4.397 3.738 5.577 0.087 3 0 "[ . 1 . 2]" 1
199 1 18 CYS HA 1 91 SER QB . . 3.290 2.891 2.520 3.318 0.028 12 0 "[ . 1 . 2]" 1
200 1 18 CYS QB 1 21 ALA MB . . 3.550 2.768 2.374 3.119 . 0 0 "[ . 1 . 2]" 1
201 1 18 CYS QB 1 63 SER HA . . 5.340 3.840 3.057 4.694 . 0 0 "[ . 1 . 2]" 1
202 1 18 CYS O 1 21 ALA H . . 2.260 2.338 2.239 2.423 0.163 18 0 "[ . 1 . 2]" 1
203 1 18 CYS SG 1 79 CYS CB . . 3.100 3.063 2.830 3.186 0.086 13 0 "[ . 1 . 2]" 1
204 1 18 CYS SG 1 79 CYS SG . . 2.100 1.962 1.853 2.176 0.076 1 0 "[ . 1 . 2]" 1
205 1 19 LYS H 1 19 LYS QD . . 4.710 2.578 1.995 2.822 . 0 0 "[ . 1 . 2]" 1
206 1 19 LYS H 1 19 LYS QG . . 3.940 2.543 1.894 3.715 . 0 0 "[ . 1 . 2]" 1
207 1 19 LYS H 1 91 SER QB . . 4.180 2.517 2.227 2.818 . 0 0 "[ . 1 . 2]" 1
208 1 19 LYS H 1 91 SER OG . . 2.150 2.345 2.220 2.433 0.283 13 0 "[ . 1 . 2]" 1
209 1 19 LYS HA 1 19 LYS QB . . 2.740 2.387 2.303 2.532 . 0 0 "[ . 1 . 2]" 1
210 1 19 LYS HA 1 19 LYS QD . . 2.700 2.315 2.048 2.723 0.023 3 0 "[ . 1 . 2]" 1
211 1 19 LYS HA 1 19 LYS QE . . 3.140 2.770 2.171 3.188 0.048 19 0 "[ . 1 . 2]" 1
212 1 19 LYS HA 1 20 GLY H . . 3.170 2.160 2.144 2.217 . 0 0 "[ . 1 . 2]" 1
213 1 19 LYS QB 1 19 LYS QD . . 2.850 2.627 2.247 2.870 0.020 8 0 "[ . 1 . 2]" 1
214 1 19 LYS QB 1 19 LYS QE . . 3.620 2.613 2.015 3.645 0.025 19 0 "[ . 1 . 2]" 1
215 1 19 LYS QB 1 20 GLY H . . 4.110 3.427 3.161 3.733 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS QB 1 91 SER QB . . 4.310 2.714 1.957 3.652 . 0 0 "[ . 1 . 2]" 1
217 1 20 GLY H 1 21 ALA H . . 3.860 2.718 2.556 2.832 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLY QA 1 83 ASN QD . . 3.000 3.058 2.841 3.144 0.144 18 0 "[ . 1 . 2]" 1
219 1 21 ALA H 1 81 ALA MB . . 3.720 3.270 3.023 3.649 . 0 0 "[ . 1 . 2]" 1
220 1 21 ALA HA 1 81 ALA MB . . 5.270 3.649 3.259 4.202 . 0 0 "[ . 1 . 2]" 1
221 1 21 ALA MB 1 29 LEU QB . . 3.920 4.107 3.925 4.254 0.334 5 0 "[ . 1 . 2]" 1
222 1 21 ALA MB 1 29 LEU HG . . 5.080 5.030 4.658 5.227 0.147 6 0 "[ . 1 . 2]" 1
223 1 22 PRO HA 1 23 LYS H . . 3.210 2.709 2.665 2.734 . 0 0 "[ . 1 . 2]" 1
224 1 22 PRO HA 1 23 LYS HA . . 5.070 4.338 4.330 4.342 . 0 0 "[ . 1 . 2]" 1
225 1 22 PRO HA 1 23 LYS QD . . 4.580 4.023 3.403 4.596 0.016 17 0 "[ . 1 . 2]" 1
226 1 22 PRO HA 1 23 LYS QG . . 5.500 4.744 4.006 5.271 . 0 0 "[ . 1 . 2]" 1
227 1 22 PRO QB 1 23 LYS H . . 4.050 1.911 1.865 1.993 . 0 0 "[ . 1 . 2]" 1
228 1 22 PRO QB 1 23 LYS QD . . 5.500 3.710 2.475 4.612 . 0 0 "[ . 1 . 2]" 1
229 1 23 LYS H 1 23 LYS QB . . 3.550 2.399 2.178 2.633 . 0 0 "[ . 1 . 2]" 1
230 1 23 LYS H 1 23 LYS QD . . 3.730 2.431 1.949 3.156 . 0 0 "[ . 1 . 2]" 1
231 1 23 LYS H 1 23 LYS QG . . 4.060 2.731 1.985 3.395 . 0 0 "[ . 1 . 2]" 1
232 1 23 LYS H 1 24 LYS H . . 3.840 2.875 2.667 2.962 . 0 0 "[ . 1 . 2]" 1
233 1 23 LYS HA 1 23 LYS QD . . 4.230 2.815 1.984 3.911 . 0 0 "[ . 1 . 2]" 1
234 1 23 LYS HA 1 24 LYS HA . . 5.500 4.651 4.552 4.937 . 0 0 "[ . 1 . 2]" 1
235 1 23 LYS HA 1 24 LYS QB . . 4.860 5.079 4.942 5.325 0.465 7 0 "[ . 1 . 2]" 1
236 1 23 LYS HA 1 24 LYS QD . . 5.500 5.307 4.856 5.600 0.100 3 0 "[ . 1 . 2]" 1
237 1 23 LYS QB 1 23 LYS QD . . 2.400 2.230 2.005 2.399 . 0 0 "[ . 1 . 2]" 1
238 1 24 LYS H 1 24 LYS QB . . 3.660 2.442 2.132 3.056 . 0 0 "[ . 1 . 2]" 1
239 1 24 LYS HA 1 24 LYS QD . . 4.300 2.742 1.923 3.660 . 0 0 "[ . 1 . 2]" 1
240 1 24 LYS HA 1 61 ASN QB . . 5.570 4.078 3.294 5.347 . 0 0 "[ . 1 . 2]" 1
241 1 24 LYS QB 1 24 LYS QD . . 2.450 2.245 2.062 2.339 . 0 0 "[ . 1 . 2]" 1
242 1 24 LYS QB 1 61 ASN HA . . 4.210 4.212 3.998 4.350 0.140 16 0 "[ . 1 . 2]" 1
243 1 24 LYS QB 1 61 ASN HB2 . . 5.500 5.467 5.300 5.593 0.093 13 0 "[ . 1 . 2]" 1
244 1 24 LYS QB 1 61 ASN QB . . 4.670 4.827 4.746 4.943 0.273 7 0 "[ . 1 . 2]" 1
245 1 24 LYS QB 1 61 ASN HB3 . . 5.500 5.379 5.172 5.536 0.036 7 0 "[ . 1 . 2]" 1
246 1 28 ARG HA 1 29 LEU H . . 3.190 2.269 2.165 2.393 . 0 0 "[ . 1 . 2]" 1
247 1 28 ARG HA 1 29 LEU QB . . 4.880 4.514 4.442 4.622 . 0 0 "[ . 1 . 2]" 1
248 1 28 ARG HA 1 29 LEU QD . . 4.870 3.569 3.058 4.145 . 0 0 "[ . 1 . 2]" 1
249 1 28 ARG HA 1 29 LEU HG . . 5.500 3.378 3.181 3.584 . 0 0 "[ . 1 . 2]" 1
250 1 28 ARG QB 1 29 LEU QB . . 5.500 4.823 4.450 5.142 . 0 0 "[ . 1 . 2]" 1
251 1 28 ARG QB 1 29 LEU QD . . 5.440 4.407 3.933 4.932 . 0 0 "[ . 1 . 2]" 1
252 1 29 LEU H 1 29 LEU QB . . 3.650 3.308 3.243 3.392 . 0 0 "[ . 1 . 2]" 1
253 1 29 LEU H 1 29 LEU QD . . 4.480 2.370 1.928 3.181 . 0 0 "[ . 1 . 2]" 1
254 1 29 LEU H 1 29 LEU HG . . 4.100 2.697 2.413 2.871 . 0 0 "[ . 1 . 2]" 1
255 1 29 LEU HA 1 30 GLU H . . 3.300 2.345 2.255 2.526 . 0 0 "[ . 1 . 2]" 1
256 1 29 LEU HA 1 30 GLU QB . . 4.250 3.915 3.831 3.978 . 0 0 "[ . 1 . 2]" 1
257 1 29 LEU HA 1 81 ALA HA . . 3.190 3.229 3.090 3.324 0.134 18 0 "[ . 1 . 2]" 1
258 1 29 LEU HA 1 81 ALA MB . . 4.870 4.572 4.360 4.669 . 0 0 "[ . 1 . 2]" 1
259 1 29 LEU QB 1 30 GLU H . . 3.550 2.547 2.135 2.793 . 0 0 "[ . 1 . 2]" 1
260 1 29 LEU QB 1 81 ALA H . . 5.040 4.689 4.420 5.008 . 0 0 "[ . 1 . 2]" 1
261 1 29 LEU QB 1 81 ALA HA . . 3.740 2.299 1.980 2.686 . 0 0 "[ . 1 . 2]" 1
262 1 29 LEU QB 1 81 ALA MB . . 3.120 2.964 2.730 3.147 0.027 16 0 "[ . 1 . 2]" 1
263 1 29 LEU QB 1 82 MET QB . . 5.500 4.434 4.096 4.804 . 0 0 "[ . 1 . 2]" 1
264 1 29 LEU MD1 1 30 GLU HA . . 3.780 3.482 3.265 3.671 . 0 0 "[ . 1 . 2]" 1
265 1 29 LEU MD2 1 62 GLY QA . . 3.000 2.636 2.267 2.917 . 0 0 "[ . 1 . 2]" 1
266 1 30 GLU H 1 80 GLN O . . 2.540 2.479 2.310 2.565 0.025 17 0 "[ . 1 . 2]" 1
267 1 30 GLU QG 1 43 VAL MG1 . . 3.430 2.981 2.770 3.147 . 0 0 "[ . 1 . 2]" 1
268 1 30 GLU O 1 80 GLN H . . 2.350 2.370 2.293 2.512 0.162 9 0 "[ . 1 . 2]" 1
269 1 31 TRP H 1 44 LEU O . . 2.320 2.489 2.380 2.579 0.259 5 0 "[ . 1 . 2]" 1
270 1 31 TRP O 1 44 LEU H . . 2.000 2.028 1.951 2.071 0.071 1 0 "[ . 1 . 2]" 1
271 1 32 LYS H 1 32 LYS QD . . 5.050 4.776 3.996 5.010 . 0 0 "[ . 1 . 2]" 1
272 1 32 LYS H 1 78 ARG O . . 2.300 2.177 2.040 2.338 0.038 9 0 "[ . 1 . 2]" 1
273 1 32 LYS HA 1 32 LYS QB . . 2.620 2.510 2.428 2.540 . 0 0 "[ . 1 . 2]" 1
274 1 32 LYS HA 1 32 LYS QD . . 4.400 3.733 3.022 4.073 . 0 0 "[ . 1 . 2]" 1
275 1 32 LYS HA 1 32 LYS QG . . 3.000 2.150 2.034 2.357 . 0 0 "[ . 1 . 2]" 1
276 1 32 LYS HA 1 33 LEU H . . 3.140 2.201 2.181 2.231 . 0 0 "[ . 1 . 2]" 1
277 1 32 LYS HA 1 78 ARG QB . . 5.100 5.134 4.886 5.237 0.137 13 0 "[ . 1 . 2]" 1
278 1 32 LYS QB 1 33 LEU H . . 4.260 3.316 3.028 3.553 . 0 0 "[ . 1 . 2]" 1
279 1 32 LYS QB 1 43 VAL QG . . 3.710 3.581 3.096 3.762 0.052 8 0 "[ . 1 . 2]" 1
280 1 32 LYS QB 1 78 ARG QB . . 3.780 2.934 2.530 3.302 . 0 0 "[ . 1 . 2]" 1
281 1 32 LYS QD 1 43 VAL QG . . 3.060 2.675 1.724 3.070 0.010 4 0 "[ . 1 . 2]" 1
282 1 32 LYS QG 1 43 VAL H . . 4.800 4.691 4.310 4.855 0.055 14 0 "[ . 1 . 2]" 1
283 1 32 LYS QG 1 43 VAL QG . . 3.310 2.219 1.747 2.786 . 0 0 "[ . 1 . 2]" 1
284 1 32 LYS O 1 78 ARG H . . 1.970 1.965 1.837 2.073 0.103 12 0 "[ . 1 . 2]" 1
285 1 33 LEU H 1 33 LEU MD1 . . 5.130 4.051 2.305 4.594 . 0 0 "[ . 1 . 2]" 1
286 1 33 LEU H 1 33 LEU QD . . 3.840 3.293 1.728 3.953 0.113 8 0 "[ . 1 . 2]" 1
287 1 33 LEU H 1 33 LEU MD2 . . 5.130 3.573 1.785 4.490 . 0 0 "[ . 1 . 2]" 1
288 1 33 LEU H 1 42 LYS H . . 3.630 3.642 3.523 3.776 0.146 17 0 "[ . 1 . 2]" 1
289 1 33 LEU H 1 42 LYS O . . 2.300 2.176 1.997 2.349 0.049 5 0 "[ . 1 . 2]" 1
290 1 33 LEU HA 1 33 LEU MD1 . . 4.120 3.431 2.116 4.128 0.008 18 0 "[ . 1 . 2]" 1
291 1 33 LEU HA 1 33 LEU QD . . 3.520 2.612 1.927 3.217 . 0 0 "[ . 1 . 2]" 1
292 1 33 LEU HA 1 33 LEU MD2 . . 4.120 3.191 1.934 4.018 . 0 0 "[ . 1 . 2]" 1
293 1 33 LEU HA 1 34 ASN H . . 3.250 2.193 2.165 2.244 . 0 0 "[ . 1 . 2]" 1
294 1 33 LEU HA 1 34 ASN HA . . 4.490 4.389 4.384 4.393 . 0 0 "[ . 1 . 2]" 1
295 1 33 LEU HA 1 34 ASN QB . . 4.330 4.072 3.927 4.462 0.132 4 0 "[ . 1 . 2]" 1
296 1 33 LEU HA 1 77 PHE QB . . 4.840 4.044 3.513 4.471 . 0 0 "[ . 1 . 2]" 1
297 1 33 LEU QB 1 34 ASN H . . 4.410 3.238 2.824 3.696 . 0 0 "[ . 1 . 2]" 1
298 1 33 LEU QB 1 42 LYS QE . . 3.230 3.203 2.095 3.349 0.119 12 0 "[ . 1 . 2]" 1
299 1 33 LEU QD 1 64 LEU QD . . 4.220 2.642 1.816 3.903 . 0 0 "[ . 1 . 2]" 1
300 1 33 LEU QD 1 77 PHE HA . . 4.900 2.611 1.906 3.479 . 0 0 "[ . 1 . 2]" 1
301 1 33 LEU O 1 42 LYS H . . 1.980 2.089 1.920 2.343 0.363 17 0 "[ . 1 . 2]" 1
302 1 34 ASN H 1 76 ILE O . . 1.890 1.849 1.751 1.934 0.044 19 0 "[ . 1 . 2]" 1
303 1 34 ASN HA 1 34 ASN QD . . 3.580 2.830 2.065 3.201 . 0 0 "[ . 1 . 2]" 1
304 1 34 ASN HA 1 35 THR H . . 3.140 2.148 2.139 2.156 . 0 0 "[ . 1 . 2]" 1
305 1 34 ASN QB 1 76 ILE HB . . 3.540 3.143 2.783 3.670 0.130 17 0 "[ . 1 . 2]" 1
306 1 34 ASN QD 1 41 TRP HA . . 3.810 3.605 2.679 4.030 0.220 17 0 "[ . 1 . 2]" 1
307 1 34 ASN O 1 76 ILE H . . 1.860 1.868 1.802 1.925 0.065 8 0 "[ . 1 . 2]" 1
308 1 35 THR HA 1 35 THR HB . . 2.970 2.357 2.309 2.489 . 0 0 "[ . 1 . 2]" 1
309 1 35 THR HA 1 36 GLY H . . 3.270 2.580 2.548 2.598 . 0 0 "[ . 1 . 2]" 1
310 1 35 THR HA 1 36 GLY QA . . 5.500 4.145 4.131 4.154 . 0 0 "[ . 1 . 2]" 1
311 1 35 THR HA 1 75 GLY QA . . 3.230 2.035 1.957 2.071 . 0 0 "[ . 1 . 2]" 1
312 1 35 THR HB 1 36 GLY H . . 3.690 2.196 2.023 2.322 . 0 0 "[ . 1 . 2]" 1
313 1 35 THR HB 1 36 GLY QA . . 4.370 3.899 3.638 4.022 . 0 0 "[ . 1 . 2]" 1
314 1 35 THR HB 1 73 ASP HA . . 3.490 2.749 2.595 3.237 . 0 0 "[ . 1 . 2]" 1
315 1 35 THR HB 1 75 GLY H . . 5.500 4.713 4.557 4.988 . 0 0 "[ . 1 . 2]" 1
316 1 35 THR HB 1 75 GLY QA . . 3.510 3.540 3.384 3.600 0.090 12 0 "[ . 1 . 2]" 1
317 1 35 THR HG1 1 42 LYS QE . . 4.790 3.818 2.206 4.741 . 0 0 "[ . 1 . 2]" 1
318 1 36 GLY H 1 74 GLU H . . 4.340 4.019 3.722 4.304 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLY H 1 74 GLU QB . . 4.560 4.549 3.944 4.804 0.244 12 0 "[ . 1 . 2]" 1
320 1 36 GLY H 1 74 GLU O . . 2.060 2.247 2.172 2.343 0.283 7 0 "[ . 1 . 2]" 1
321 1 36 GLY H 1 75 GLY QA . . 4.100 3.809 3.735 3.874 . 0 0 "[ . 1 . 2]" 1
322 1 36 GLY QA 1 37 ARG H . . 2.950 2.117 2.112 2.123 . 0 0 "[ . 1 . 2]" 1
323 1 36 GLY QA 1 37 ARG QB . . 4.240 3.970 3.742 4.242 0.002 5 0 "[ . 1 . 2]" 1
324 1 36 GLY QA 1 37 ARG QD . . 4.390 3.534 2.868 4.358 . 0 0 "[ . 1 . 2]" 1
325 1 36 GLY QA 1 37 ARG QG . . 5.500 4.394 3.281 5.323 . 0 0 "[ . 1 . 2]" 1
326 1 36 GLY QA 1 38 THR H . . 4.020 3.638 3.624 3.651 . 0 0 "[ . 1 . 2]" 1
327 1 37 ARG H 1 37 ARG QD . . 4.050 3.398 2.703 3.983 . 0 0 "[ . 1 . 2]" 1
328 1 37 ARG H 1 37 ARG QG . . 4.360 3.588 2.490 4.217 . 0 0 "[ . 1 . 2]" 1
329 1 37 ARG H 1 38 THR H . . 3.150 2.011 1.994 2.018 . 0 0 "[ . 1 . 2]" 1
330 1 37 ARG H 1 38 THR MG . . 4.610 4.392 4.041 5.115 0.505 10 1 "[ . + . 2]" 1
331 1 37 ARG HA 1 37 ARG QD . . 2.790 2.419 1.998 2.797 0.007 17 0 "[ . 1 . 2]" 1
332 1 37 ARG HA 1 37 ARG QG . . 3.370 2.572 2.276 3.061 . 0 0 "[ . 1 . 2]" 1
333 1 37 ARG QB 1 38 THR H . . 3.970 2.690 2.628 2.767 . 0 0 "[ . 1 . 2]" 1
334 1 38 THR H 1 38 THR HB . . 3.750 3.529 3.429 3.879 0.129 10 0 "[ . 1 . 2]" 1
335 1 38 THR H 1 39 GLU H . . 4.620 1.809 1.782 1.858 . 0 0 "[ . 1 . 2]" 1
336 1 38 THR HA 1 38 THR MG . . 3.420 3.011 1.986 3.201 . 0 0 "[ . 1 . 2]" 1
337 1 38 THR HA 1 39 GLU H . . 3.550 3.491 3.484 3.505 . 0 0 "[ . 1 . 2]" 1
338 1 38 THR HA 1 39 GLU HA . . 5.500 4.590 4.585 4.601 . 0 0 "[ . 1 . 2]" 1
339 1 38 THR HA 1 39 GLU QB . . 5.500 5.450 5.399 5.518 0.018 4 0 "[ . 1 . 2]" 1
340 1 38 THR HA 1 39 GLU QG . . 4.680 4.805 4.676 4.935 0.255 6 0 "[ . 1 . 2]" 1
341 1 38 THR HA 1 40 ALA H . . 4.610 3.727 3.704 3.748 . 0 0 "[ . 1 . 2]" 1
342 1 38 THR HB 1 39 GLU QB . . 5.500 5.538 4.801 5.710 0.210 6 0 "[ . 1 . 2]" 1
343 1 38 THR HB 1 40 ALA MB . . 6.210 6.215 6.166 6.305 0.095 6 0 "[ . 1 . 2]" 1
344 1 38 THR MG 1 39 GLU H . . 5.040 2.382 1.990 4.268 . 0 0 "[ . 1 . 2]" 1
345 1 38 THR MG 1 40 ALA MB . . 5.310 5.088 4.947 5.695 0.385 10 0 "[ . 1 . 2]" 1
346 1 39 GLU H 1 39 GLU QG . . 4.460 2.636 1.871 2.853 . 0 0 "[ . 1 . 2]" 1
347 1 39 GLU H 1 40 ALA H . . 3.500 2.857 2.837 2.897 . 0 0 "[ . 1 . 2]" 1
348 1 39 GLU HA 1 39 GLU QG . . 3.530 2.582 2.429 3.310 . 0 0 "[ . 1 . 2]" 1
349 1 39 GLU QB 1 39 GLU QG . . 2.400 2.069 2.055 2.087 . 0 0 "[ . 1 . 2]" 1
350 1 39 GLU QB 1 40 ALA H . . 4.190 3.839 3.800 4.011 . 0 0 "[ . 1 . 2]" 1
351 1 39 GLU QB 1 40 ALA HA . . 4.750 4.311 4.281 4.462 . 0 0 "[ . 1 . 2]" 1
352 1 39 GLU QB 1 40 ALA MB . . 4.760 4.288 4.186 4.669 . 0 0 "[ . 1 . 2]" 1
353 1 40 ALA HA 1 41 TRP H . . 3.170 3.318 3.301 3.333 0.163 10 0 "[ . 1 . 2]" 1
354 1 40 ALA HA 1 41 TRP QB . . 5.340 5.253 4.999 5.341 0.001 10 0 "[ . 1 . 2]" 1
355 1 40 ALA MB 1 41 TRP H . . 3.590 3.253 3.230 3.279 . 0 0 "[ . 1 . 2]" 1
356 1 40 ALA MB 1 41 TRP QB . . 5.340 4.548 4.422 4.947 . 0 0 "[ . 1 . 2]" 1
357 1 40 ALA MB 1 42 LYS QD . . 5.000 3.725 3.416 4.233 . 0 0 "[ . 1 . 2]" 1
358 1 41 TRP H 1 41 TRP QB . . 3.630 2.365 2.108 2.646 . 0 0 "[ . 1 . 2]" 1
359 1 41 TRP H 1 42 LYS QD . . 4.760 4.752 4.682 4.821 0.061 19 0 "[ . 1 . 2]" 1
360 1 41 TRP HA 1 42 LYS H . . 3.200 2.163 2.152 2.171 . 0 0 "[ . 1 . 2]" 1
361 1 41 TRP HA 1 42 LYS QD . . 5.110 3.016 2.658 3.230 . 0 0 "[ . 1 . 2]" 1
362 1 41 TRP QB 1 42 LYS QB . . 5.340 5.269 4.840 5.595 0.255 14 0 "[ . 1 . 2]" 1
363 1 42 LYS H 1 42 LYS QD . . 5.500 2.135 1.887 2.420 . 0 0 "[ . 1 . 2]" 1
364 1 42 LYS H 1 42 LYS QG . . 4.060 2.689 2.316 2.942 . 0 0 "[ . 1 . 2]" 1
365 1 42 LYS HA 1 42 LYS QG . . 3.260 3.008 2.622 3.438 0.178 17 0 "[ . 1 . 2]" 1
366 1 42 LYS HA 1 43 VAL H . . 3.280 2.330 2.301 2.360 . 0 0 "[ . 1 . 2]" 1
367 1 42 LYS QB 1 43 VAL H . . 4.060 2.634 2.513 2.711 . 0 0 "[ . 1 . 2]" 1
368 1 42 LYS QB 1 43 VAL QG . . 5.090 4.187 4.085 4.312 . 0 0 "[ . 1 . 2]" 1
369 1 43 VAL H 1 43 VAL HB . . 3.400 2.567 2.499 2.641 . 0 0 "[ . 1 . 2]" 1
370 1 43 VAL H 1 43 VAL QG . . 3.380 2.474 2.177 2.632 . 0 0 "[ . 1 . 2]" 1
371 1 43 VAL HA 1 43 VAL QG . . 2.850 2.092 2.069 2.149 . 0 0 "[ . 1 . 2]" 1
372 1 43 VAL HA 1 44 LEU H . . 3.170 2.142 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
373 1 43 VAL QG 1 44 LEU QB . . 5.370 4.045 3.917 4.096 . 0 0 "[ . 1 . 2]" 1
374 1 44 LEU H 1 44 LEU QD . . 4.390 3.080 2.344 3.728 . 0 0 "[ . 1 . 2]" 1
375 1 44 LEU H 1 44 LEU HG . . 4.110 3.747 2.953 4.323 0.213 18 0 "[ . 1 . 2]" 1
376 1 44 LEU HA 1 44 LEU MD1 . . 4.290 3.044 2.105 3.843 . 0 0 "[ . 1 . 2]" 1
377 1 44 LEU HA 1 44 LEU QD . . 3.690 2.103 1.916 2.784 . 0 0 "[ . 1 . 2]" 1
378 1 44 LEU HA 1 44 LEU MD2 . . 4.290 2.281 2.007 3.603 . 0 0 "[ . 1 . 2]" 1
379 1 44 LEU HA 1 44 LEU HG . . 3.830 3.141 2.208 3.705 . 0 0 "[ . 1 . 2]" 1
380 1 44 LEU HA 1 45 SER H . . 3.230 2.241 2.224 2.267 . 0 0 "[ . 1 . 2]" 1
381 1 44 LEU QB 1 44 LEU HG . . 2.670 2.280 2.156 2.499 . 0 0 "[ . 1 . 2]" 1
382 1 44 LEU QB 1 45 SER H . . 3.680 2.929 2.813 3.211 . 0 0 "[ . 1 . 2]" 1
383 1 44 LEU QB 1 58 VAL MG2 . . 3.540 2.999 2.274 3.185 . 0 0 "[ . 1 . 2]" 1
384 1 45 SER H 1 45 SER QB . . 3.610 3.010 2.447 3.166 . 0 0 "[ . 1 . 2]" 1
385 1 46 PRO HA 1 47 GLN H . . 3.320 3.325 3.292 3.351 0.031 8 0 "[ . 1 . 2]" 1
386 1 47 GLN H 1 47 GLN HA . . 2.940 2.946 2.940 2.947 0.007 10 0 "[ . 1 . 2]" 1
387 1 47 GLN H 1 47 GLN QG . . 4.470 4.189 4.082 4.263 . 0 0 "[ . 1 . 2]" 1
388 1 47 GLN H 1 48 GLY QA . . 4.430 4.277 4.147 4.493 0.063 15 0 "[ . 1 . 2]" 1
389 1 47 GLN H 1 49 GLY H . . 5.500 5.236 5.054 5.559 0.059 2 0 "[ . 1 . 2]" 1
390 1 47 GLN H 1 58 VAL HB . . 3.980 4.079 3.806 4.204 0.224 7 0 "[ . 1 . 2]" 1
391 1 47 GLN HA 1 47 GLN HE21 . . 3.700 2.770 2.037 3.459 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLN HA 1 47 GLN HE22 . . 3.700 3.395 3.125 3.706 0.006 4 0 "[ . 1 . 2]" 1
393 1 47 GLN HA 1 47 GLN QG . . 3.380 2.791 2.352 3.002 . 0 0 "[ . 1 . 2]" 1
394 1 47 GLN QB 1 47 GLN QE . . 3.660 3.252 2.035 3.609 . 0 0 "[ . 1 . 2]" 1
395 1 47 GLN QB 1 47 GLN HE22 . . 4.360 4.095 3.493 4.357 . 0 0 "[ . 1 . 2]" 1
396 1 47 GLN QG 1 48 GLY H . . 4.270 4.056 3.657 4.308 0.038 4 0 "[ . 1 . 2]" 1
397 1 48 GLY H 1 49 GLY HA2 . . 4.870 4.819 4.600 5.224 0.354 2 0 "[ . 1 . 2]" 1
398 1 48 GLY H 1 49 GLY QA . . 4.350 4.254 4.068 4.497 0.147 2 0 "[ . 1 . 2]" 1
399 1 48 GLY H 1 49 GLY HA3 . . 4.870 4.735 4.534 4.906 0.036 2 0 "[ . 1 . 2]" 1
400 1 48 GLY H 1 57 ARG QB . . 4.930 3.814 3.258 4.477 . 0 0 "[ . 1 . 2]" 1
401 1 48 GLY QA 1 49 GLY QA . . 4.290 3.837 3.654 3.868 . 0 0 "[ . 1 . 2]" 1
402 1 48 GLY QA 1 58 VAL H . . 3.450 2.772 1.870 3.344 . 0 0 "[ . 1 . 2]" 1
403 1 49 GLY H 1 57 ARG HA . . 4.860 5.005 4.925 5.197 0.337 2 0 "[ . 1 . 2]" 1
404 1 49 GLY QA 1 50 GLY QA . . 3.630 3.575 3.567 3.585 . 0 0 "[ . 1 . 2]" 1
405 1 50 GLY QA 1 51 PRO HA . . 4.570 4.046 4.017 4.061 . 0 0 "[ . 1 . 2]" 1
406 1 51 PRO HA 1 52 TRP QB . . 5.030 5.187 4.994 5.303 0.273 7 0 "[ . 1 . 2]" 1
407 1 51 PRO QB 1 52 TRP H . . 3.720 3.666 3.500 3.733 0.013 3 0 "[ . 1 . 2]" 1
408 1 51 PRO QB 1 52 TRP HA . . 4.730 4.255 4.109 4.324 . 0 0 "[ . 1 . 2]" 1
409 1 51 PRO QB 1 54 SER H . . 4.540 4.030 3.819 4.528 . 0 0 "[ . 1 . 2]" 1
410 1 51 PRO HB2 1 52 TRP H . . 4.280 3.897 3.690 3.981 . 0 0 "[ . 1 . 2]" 1
411 1 51 PRO HB2 1 54 SER H . . 5.390 4.264 4.017 4.852 . 0 0 "[ . 1 . 2]" 1
412 1 51 PRO HB3 1 52 TRP H . . 4.280 4.466 4.348 4.514 0.234 3 0 "[ . 1 . 2]" 1
413 1 51 PRO HB3 1 54 SER H . . 5.390 4.967 4.775 5.454 0.064 16 0 "[ . 1 . 2]" 1
414 1 52 TRP H 1 52 TRP QB . . 3.520 2.209 2.074 2.344 . 0 0 "[ . 1 . 2]" 1
415 1 52 TRP HA 1 53 ASP HA . . 4.710 4.763 4.743 4.788 0.078 15 0 "[ . 1 . 2]" 1
416 1 52 TRP HA 1 54 SER H . . 3.860 3.950 3.651 4.002 0.142 17 0 "[ . 1 . 2]" 1
417 1 52 TRP HA 1 57 ARG QB . . 5.500 4.325 3.478 5.227 . 0 0 "[ . 1 . 2]" 1
418 1 52 TRP HA 1 57 ARG QD . . 4.710 4.375 3.610 5.152 0.442 16 0 "[ . 1 . 2]" 1
419 1 52 TRP HA 1 57 ARG QG . . 3.240 3.149 2.656 3.688 0.448 16 0 "[ . 1 . 2]" 1
420 1 52 TRP QB 1 53 ASP H . . 4.110 3.283 2.787 3.480 . 0 0 "[ . 1 . 2]" 1
421 1 52 TRP QB 1 53 ASP HA . . 4.620 4.457 3.881 4.659 0.039 11 0 "[ . 1 . 2]" 1
422 1 52 TRP QB 1 53 ASP QB . . 4.530 4.576 4.031 4.744 0.214 10 0 "[ . 1 . 2]" 1
423 1 52 TRP QB 1 57 ARG QG . . 3.850 1.882 1.770 2.005 . 0 0 "[ . 1 . 2]" 1
424 1 53 ASP H 1 53 ASP HB2 . . 3.830 2.759 2.307 3.594 . 0 0 "[ . 1 . 2]" 1
425 1 53 ASP H 1 53 ASP QB . . 3.170 2.258 2.198 2.407 . 0 0 "[ . 1 . 2]" 1
426 1 53 ASP H 1 53 ASP HB3 . . 3.830 2.586 2.246 2.791 . 0 0 "[ . 1 . 2]" 1
427 1 53 ASP H 1 54 SER H . . 3.880 2.532 2.494 2.583 . 0 0 "[ . 1 . 2]" 1
428 1 53 ASP HA 1 54 SER HA . . 5.500 4.667 4.640 4.802 . 0 0 "[ . 1 . 2]" 1
429 1 53 ASP QB 1 54 SER HA . . 5.340 4.288 4.028 4.661 . 0 0 "[ . 1 . 2]" 1
430 1 53 ASP QB 1 54 SER QB . . 5.340 4.603 3.866 5.284 . 0 0 "[ . 1 . 2]" 1
431 1 54 SER HA 1 55 VAL HA . . 5.130 4.541 4.537 4.545 . 0 0 "[ . 1 . 2]" 1
432 1 54 SER HA 1 55 VAL QG . . 4.420 4.112 4.071 4.202 . 0 0 "[ . 1 . 2]" 1
433 1 54 SER QB 1 55 VAL H . . 3.840 2.734 2.652 2.876 . 0 0 "[ . 1 . 2]" 1
434 1 54 SER QB 1 55 VAL HA . . 4.070 4.124 4.098 4.135 0.065 9 0 "[ . 1 . 2]" 1
435 1 54 SER QB 1 55 VAL HB . . 4.870 4.998 4.935 5.142 0.272 15 0 "[ . 1 . 2]" 1
436 1 54 SER QB 1 55 VAL MG1 . . 3.210 3.185 3.154 3.278 0.068 15 0 "[ . 1 . 2]" 1
437 1 54 SER QB 1 55 VAL QG . . 5.500 2.585 2.527 2.739 . 0 0 "[ . 1 . 2]" 1
438 1 55 VAL H 1 55 VAL HB . . 4.110 3.642 3.590 3.661 . 0 0 "[ . 1 . 2]" 1
439 1 55 VAL H 1 56 ALA H . . 4.620 3.062 2.556 3.180 . 0 0 "[ . 1 . 2]" 1
440 1 55 VAL HB 1 56 ALA H . . 2.730 2.011 1.898 2.530 . 0 0 "[ . 1 . 2]" 1
441 1 55 VAL QG 1 56 ALA MB . . 3.820 3.554 3.399 3.635 . 0 0 "[ . 1 . 2]" 1
442 1 55 VAL QG 1 57 ARG H . . 5.500 5.218 5.186 5.328 . 0 0 "[ . 1 . 2]" 1
443 1 55 VAL MG2 1 56 ALA H . . 2.830 1.845 1.721 1.876 . 0 0 "[ . 1 . 2]" 1
444 1 56 ALA H 1 56 ALA MB . . 3.310 2.738 2.652 2.830 . 0 0 "[ . 1 . 2]" 1
445 1 56 ALA HA 1 57 ARG H . . 3.110 2.499 2.316 2.555 . 0 0 "[ . 1 . 2]" 1
446 1 56 ALA HA 1 57 ARG QD . . 3.910 3.549 2.690 4.482 0.572 6 3 "[ .+ 1* -. 2]" 1
447 1 56 ALA HA 1 57 ARG QG . . 3.750 3.280 3.049 3.661 . 0 0 "[ . 1 . 2]" 1
448 1 56 ALA HA 1 64 LEU QD . . 5.440 4.308 3.847 4.760 . 0 0 "[ . 1 . 2]" 1
449 1 56 ALA HA 1 66 LEU HA . . 3.670 3.008 2.587 3.259 . 0 0 "[ . 1 . 2]" 1
450 1 56 ALA MB 1 57 ARG HA . . 4.940 3.975 3.925 4.030 . 0 0 "[ . 1 . 2]" 1
451 1 56 ALA MB 1 57 ARG QD . . 5.160 3.846 3.362 5.093 . 0 0 "[ . 1 . 2]" 1
452 1 56 ALA MB 1 57 ARG QG . . 4.700 3.985 3.550 4.350 . 0 0 "[ . 1 . 2]" 1
453 1 57 ARG H 1 57 ARG QD . . 4.220 2.392 1.893 3.854 . 0 0 "[ . 1 . 2]" 1
454 1 57 ARG H 1 57 ARG QG . . 4.630 2.491 1.901 3.121 . 0 0 "[ . 1 . 2]" 1
455 1 57 ARG H 1 64 LEU QD . . 4.750 3.269 2.860 3.764 . 0 0 "[ . 1 . 2]" 1
456 1 57 ARG H 1 65 PHE H . . 3.600 3.615 3.509 3.684 0.084 18 0 "[ . 1 . 2]" 1
457 1 57 ARG H 1 65 PHE O . . 1.970 2.137 2.051 2.255 0.285 7 0 "[ . 1 . 2]" 1
458 1 57 ARG HA 1 57 ARG QB . . 2.520 2.207 2.149 2.385 . 0 0 "[ . 1 . 2]" 1
459 1 57 ARG HA 1 57 ARG QD . . 3.960 3.787 3.568 4.081 0.121 6 0 "[ . 1 . 2]" 1
460 1 57 ARG HA 1 58 VAL H . . 3.300 2.387 2.362 2.432 . 0 0 "[ . 1 . 2]" 1
461 1 57 ARG HA 1 58 VAL HB . . 5.500 4.484 4.418 4.670 . 0 0 "[ . 1 . 2]" 1
462 1 57 ARG HA 1 58 VAL QG . . 4.030 3.665 3.493 3.797 . 0 0 "[ . 1 . 2]" 1
463 1 57 ARG QB 1 58 VAL H . . 3.760 2.510 2.411 2.602 . 0 0 "[ . 1 . 2]" 1
464 1 57 ARG QB 1 58 VAL QG . . 4.820 4.259 4.170 4.313 . 0 0 "[ . 1 . 2]" 1
465 1 57 ARG QB 1 59 LEU HA . . 5.190 4.917 4.880 4.953 . 0 0 "[ . 1 . 2]" 1
466 1 57 ARG QB 1 59 LEU QD . . 5.430 4.567 3.755 4.963 . 0 0 "[ . 1 . 2]" 1
467 1 57 ARG QB 1 59 LEU HG . . 5.500 5.266 4.881 5.507 0.007 4 0 "[ . 1 . 2]" 1
468 1 57 ARG QB 1 65 PHE QB . . 5.420 3.909 3.341 4.574 . 0 0 "[ . 1 . 2]" 1
469 1 57 ARG QG 1 58 VAL H . . 4.560 4.260 3.810 4.476 . 0 0 "[ . 1 . 2]" 1
470 1 57 ARG O 1 65 PHE H . . 1.870 2.008 1.944 2.160 0.290 7 0 "[ . 1 . 2]" 1
471 1 58 VAL H 1 58 VAL HB . . 3.960 2.447 2.395 2.598 . 0 0 "[ . 1 . 2]" 1
472 1 58 VAL H 1 58 VAL QG . . 3.530 2.828 2.708 2.904 . 0 0 "[ . 1 . 2]" 1
473 1 58 VAL H 1 64 LEU QD . . 4.680 4.370 3.962 4.641 . 0 0 "[ . 1 . 2]" 1
474 1 58 VAL HA 1 59 LEU H . . 3.110 2.158 2.146 2.165 . 0 0 "[ . 1 . 2]" 1
475 1 58 VAL HA 1 64 LEU HA . . 3.620 2.337 2.257 2.463 . 0 0 "[ . 1 . 2]" 1
476 1 58 VAL HA 1 64 LEU MD1 . . 3.810 2.991 2.436 3.252 . 0 0 "[ . 1 . 2]" 1
477 1 58 VAL HA 1 64 LEU QD . . 4.690 2.973 2.431 3.226 . 0 0 "[ . 1 . 2]" 1
478 1 58 VAL HA 1 64 LEU HG . . 5.500 5.233 4.196 5.535 0.035 5 0 "[ . 1 . 2]" 1
479 1 58 VAL MG1 1 62 GLY QA . . 3.640 3.124 3.038 3.230 . 0 0 "[ . 1 . 2]" 1
480 1 59 LEU H 1 59 LEU MD1 . . 4.540 3.462 1.910 3.812 . 0 0 "[ . 1 . 2]" 1
481 1 59 LEU H 1 59 LEU QD . . 3.840 3.111 1.907 3.337 . 0 0 "[ . 1 . 2]" 1
482 1 59 LEU H 1 59 LEU MD2 . . 4.540 3.724 2.924 4.057 . 0 0 "[ . 1 . 2]" 1
483 1 59 LEU H 1 59 LEU HG . . 4.330 2.695 2.326 3.422 . 0 0 "[ . 1 . 2]" 1
484 1 59 LEU H 1 63 SER O . . 1.840 1.894 1.852 1.948 0.108 7 0 "[ . 1 . 2]" 1
485 1 59 LEU HA 1 59 LEU QD . . 4.230 2.093 1.955 3.025 . 0 0 "[ . 1 . 2]" 1
486 1 59 LEU HA 1 59 LEU HG . . 3.810 2.861 2.395 3.339 . 0 0 "[ . 1 . 2]" 1
487 1 59 LEU HA 1 60 PRO QB . . 5.230 4.584 4.581 4.589 . 0 0 "[ . 1 . 2]" 1
488 1 59 LEU QB 1 59 LEU HG . . 2.760 2.388 2.283 2.479 . 0 0 "[ . 1 . 2]" 1
489 1 59 LEU QB 1 61 ASN H . . 3.920 2.377 2.315 2.518 . 0 0 "[ . 1 . 2]" 1
490 1 59 LEU QB 1 61 ASN HA . . 5.270 4.848 4.822 4.887 . 0 0 "[ . 1 . 2]" 1
491 1 59 LEU QB 1 63 SER H . . 3.780 2.093 1.931 2.255 . 0 0 "[ . 1 . 2]" 1
492 1 59 LEU QB 1 63 SER QB . . 3.600 1.911 1.875 2.002 . 0 0 "[ . 1 . 2]" 1
493 1 59 LEU QB 1 65 PHE QB . . 5.110 4.468 4.272 4.690 . 0 0 "[ . 1 . 2]" 1
494 1 59 LEU QD 1 63 SER HA . . 5.440 4.131 3.600 4.431 . 0 0 "[ . 1 . 2]" 1
495 1 59 LEU QD 1 63 SER QB . . 4.570 1.841 1.722 2.071 . 0 0 "[ . 1 . 2]" 1
496 1 59 LEU QD 1 64 LEU H . . 4.060 3.431 2.627 3.695 . 0 0 "[ . 1 . 2]" 1
497 1 59 LEU QD 1 64 LEU HA . . 4.220 4.009 2.546 4.246 0.026 8 0 "[ . 1 . 2]" 1
498 1 59 LEU QD 1 65 PHE HA . . 5.440 4.159 3.219 4.413 . 0 0 "[ . 1 . 2]" 1
499 1 59 LEU QD 1 65 PHE QB . . 4.450 2.542 1.842 2.763 . 0 0 "[ . 1 . 2]" 1
500 1 59 LEU MD1 1 63 SER QB . . 3.170 1.855 1.724 2.076 . 0 0 "[ . 1 . 2]" 1
501 1 59 LEU MD1 1 65 PHE QB . . 3.370 2.843 1.858 3.161 . 0 0 "[ . 1 . 2]" 1
502 1 59 LEU MD2 1 63 SER QB . . 5.420 3.729 2.085 4.104 . 0 0 "[ . 1 . 2]" 1
503 1 59 LEU MD2 1 65 PHE HB2 . . 3.990 3.251 2.504 3.534 . 0 0 "[ . 1 . 2]" 1
504 1 59 LEU MD2 1 65 PHE QB . . 3.200 2.995 2.308 3.127 . 0 0 "[ . 1 . 2]" 1
505 1 59 LEU MD2 1 65 PHE HB3 . . 3.990 3.533 2.666 3.910 . 0 0 "[ . 1 . 2]" 1
506 1 59 LEU HG 1 63 SER QB . . 5.060 3.343 2.587 4.077 . 0 0 "[ . 1 . 2]" 1
507 1 59 LEU HG 1 65 PHE QB . . 3.120 2.784 2.496 3.204 0.084 6 0 "[ . 1 . 2]" 1
508 1 59 LEU O 1 62 GLY H . . 2.130 2.253 2.245 2.271 0.141 1 0 "[ . 1 . 2]" 1
509 1 60 PRO QB 1 61 ASN H . . 3.540 3.373 3.321 3.402 . 0 0 "[ . 1 . 2]" 1
510 1 60 PRO QB 1 61 ASN QB . . 4.760 4.490 4.427 4.559 . 0 0 "[ . 1 . 2]" 1
511 1 61 ASN H 1 61 ASN HB2 . . 4.160 3.579 3.542 3.608 . 0 0 "[ . 1 . 2]" 1
512 1 61 ASN H 1 61 ASN QB . . 3.490 2.790 2.717 2.867 . 0 0 "[ . 1 . 2]" 1
513 1 61 ASN H 1 61 ASN HB3 . . 4.160 2.912 2.809 3.029 . 0 0 "[ . 1 . 2]" 1
514 1 61 ASN H 1 62 GLY H . . 3.800 2.511 2.486 2.536 . 0 0 "[ . 1 . 2]" 1
515 1 61 ASN HA 1 61 ASN QB . . 2.480 2.180 2.173 2.184 . 0 0 "[ . 1 . 2]" 1
516 1 61 ASN HA 1 62 GLY QA . . 4.260 4.148 4.141 4.150 . 0 0 "[ . 1 . 2]" 1
517 1 61 ASN QD 1 63 SER HG . . 3.600 3.054 2.086 3.619 0.019 17 0 "[ . 1 . 2]" 1
518 1 62 GLY H 1 63 SER H . . 3.670 2.276 2.249 2.307 . 0 0 "[ . 1 . 2]" 1
519 1 62 GLY H 1 63 SER QB . . 4.550 4.187 4.077 4.316 . 0 0 "[ . 1 . 2]" 1
520 1 63 SER H 1 63 SER QB . . 3.240 2.360 2.273 2.426 . 0 0 "[ . 1 . 2]" 1
521 1 63 SER HA 1 63 SER QB . . 2.550 2.471 2.427 2.516 . 0 0 "[ . 1 . 2]" 1
522 1 63 SER HA 1 64 LEU H . . 3.290 2.584 2.515 2.605 . 0 0 "[ . 1 . 2]" 1
523 1 63 SER HA 1 64 LEU QB . . 5.500 3.946 3.918 3.958 . 0 0 "[ . 1 . 2]" 1
524 1 63 SER QB 1 64 LEU H . . 3.700 2.064 1.995 2.173 . 0 0 "[ . 1 . 2]" 1
525 1 63 SER QB 1 64 LEU HA . . 5.500 3.994 3.956 4.032 . 0 0 "[ . 1 . 2]" 1
526 1 63 SER QB 1 64 LEU QB . . 4.510 4.177 4.126 4.248 . 0 0 "[ . 1 . 2]" 1
527 1 63 SER QB 1 64 LEU QD . . 5.440 4.979 4.923 5.049 . 0 0 "[ . 1 . 2]" 1
528 1 64 LEU H 1 64 LEU QD . . 5.100 3.927 3.903 3.951 . 0 0 "[ . 1 . 2]" 1
529 1 64 LEU HA 1 64 LEU QD . . 3.990 2.281 2.031 2.496 . 0 0 "[ . 1 . 2]" 1
530 1 64 LEU HA 1 64 LEU HG . . 3.810 3.314 2.776 3.500 . 0 0 "[ . 1 . 2]" 1
531 1 64 LEU HA 1 65 PHE H . . 3.180 2.154 2.148 2.159 . 0 0 "[ . 1 . 2]" 1
532 1 64 LEU HA 1 65 PHE HA . . 4.590 4.397 4.396 4.399 . 0 0 "[ . 1 . 2]" 1
533 1 64 LEU HA 1 65 PHE HB2 . . 5.500 4.577 4.361 4.922 . 0 0 "[ . 1 . 2]" 1
534 1 64 LEU HA 1 65 PHE HB3 . . 5.500 4.519 4.248 4.764 . 0 0 "[ . 1 . 2]" 1
535 1 64 LEU QD 1 65 PHE HA . . 5.440 3.764 3.410 4.455 . 0 0 "[ . 1 . 2]" 1
536 1 64 LEU QD 1 66 LEU H . . 5.440 4.211 3.794 4.881 . 0 0 "[ . 1 . 2]" 1
537 1 64 LEU MD1 1 65 PHE H . . 3.490 2.340 2.043 3.238 . 0 0 "[ . 1 . 2]" 1
538 1 64 LEU MD2 1 66 LEU MD1 . . 3.770 2.396 1.925 2.872 . 0 0 "[ . 1 . 2]" 1
539 1 64 LEU HG 1 65 PHE H . . 3.590 3.309 2.797 3.590 . 0 0 "[ . 1 . 2]" 1
540 1 64 LEU HG 1 65 PHE HA . . 4.700 3.717 3.586 4.087 . 0 0 "[ . 1 . 2]" 1
541 1 64 LEU HG 1 66 LEU MD1 . . 3.910 2.347 1.989 3.086 . 0 0 "[ . 1 . 2]" 1
542 1 65 PHE H 1 65 PHE QB . . 3.550 2.512 2.449 2.563 . 0 0 "[ . 1 . 2]" 1
543 1 65 PHE HA 1 66 LEU H . . 3.180 2.171 2.155 2.188 . 0 0 "[ . 1 . 2]" 1
544 1 65 PHE HA 1 66 LEU HA . . 4.660 4.392 4.389 4.397 . 0 0 "[ . 1 . 2]" 1
545 1 65 PHE HA 1 66 LEU QB . . 5.500 4.339 4.231 4.473 . 0 0 "[ . 1 . 2]" 1
546 1 65 PHE HA 1 66 LEU MD1 . . 5.500 3.279 2.745 3.884 . 0 0 "[ . 1 . 2]" 1
547 1 65 PHE HA 1 66 LEU QD . . 4.620 3.249 2.738 3.812 . 0 0 "[ . 1 . 2]" 1
548 1 65 PHE HA 1 66 LEU MD2 . . 5.500 5.453 5.366 5.544 0.044 13 0 "[ . 1 . 2]" 1
549 1 65 PHE HA 1 66 LEU HG . . 5.170 4.547 4.115 5.234 0.064 15 0 "[ . 1 . 2]" 1
550 1 66 LEU H 1 66 LEU HG . . 4.930 3.540 3.193 4.095 . 0 0 "[ . 1 . 2]" 1
551 1 66 LEU HA 1 66 LEU MD1 . . 3.950 3.428 2.889 3.745 . 0 0 "[ . 1 . 2]" 1
552 1 66 LEU HA 1 66 LEU QD . . 3.360 2.941 2.799 3.107 . 0 0 "[ . 1 . 2]" 1
553 1 66 LEU HA 1 66 LEU MD2 . . 3.950 3.373 2.989 3.753 . 0 0 "[ . 1 . 2]" 1
554 1 66 LEU HA 1 66 LEU HG . . 3.660 2.509 2.437 2.610 . 0 0 "[ . 1 . 2]" 1
555 1 66 LEU QB 1 69 VAL MG1 . . 3.500 2.208 2.112 2.289 . 0 0 "[ . 1 . 2]" 1
556 1 66 LEU QB 1 73 ASP QB . . 5.270 5.276 5.135 5.382 0.112 18 0 "[ . 1 . 2]" 1
557 1 66 LEU QD 1 69 VAL HA . . 4.120 3.123 2.786 3.308 . 0 0 "[ . 1 . 2]" 1
558 1 66 LEU QD 1 69 VAL QG . . 3.620 1.832 1.723 2.003 . 0 0 "[ . 1 . 2]" 1
559 1 66 LEU QD 1 73 ASP QB . . 4.010 3.476 3.359 3.588 . 0 0 "[ . 1 . 2]" 1
560 1 66 LEU MD2 1 69 VAL MG1 . . 3.030 1.913 1.737 2.182 . 0 0 "[ . 1 . 2]" 1
561 1 66 LEU MD2 1 73 ASP QB . . 3.780 3.539 3.386 3.680 . 0 0 "[ . 1 . 2]" 1
562 1 66 LEU HG 1 69 VAL QG . . 4.340 3.887 3.779 4.100 . 0 0 "[ . 1 . 2]" 1
563 1 67 PRO HA 1 68 ALA MB . . 4.740 4.322 4.250 4.406 . 0 0 "[ . 1 . 2]" 1
564 1 67 PRO QB 1 68 ALA H . . 3.740 3.170 3.069 3.202 . 0 0 "[ . 1 . 2]" 1
565 1 67 PRO QB 1 68 ALA MB . . 3.840 3.122 3.042 3.283 . 0 0 "[ . 1 . 2]" 1
566 1 68 ALA H 1 69 VAL H . . 4.210 3.621 3.566 3.693 . 0 0 "[ . 1 . 2]" 1
567 1 68 ALA H 1 69 VAL QG . . 5.440 3.901 3.815 3.981 . 0 0 "[ . 1 . 2]" 1
568 1 68 ALA HA 1 69 VAL H . . 3.190 2.182 2.170 2.189 . 0 0 "[ . 1 . 2]" 1
569 1 69 VAL H 1 69 VAL HB . . 3.730 3.612 3.604 3.621 . 0 0 "[ . 1 . 2]" 1
570 1 69 VAL H 1 69 VAL MG1 . . 4.230 2.484 2.311 2.605 . 0 0 "[ . 1 . 2]" 1
571 1 69 VAL H 1 69 VAL MG2 . . 4.230 2.009 1.980 2.043 . 0 0 "[ . 1 . 2]" 1
572 1 69 VAL HA 1 69 VAL MG1 . . 3.690 2.248 2.152 2.381 . 0 0 "[ . 1 . 2]" 1
573 1 69 VAL HA 1 69 VAL MG2 . . 3.690 3.183 3.179 3.188 . 0 0 "[ . 1 . 2]" 1
574 1 69 VAL HA 1 70 GLY H . . 3.210 2.145 2.144 2.149 . 0 0 "[ . 1 . 2]" 1
575 1 69 VAL HA 1 70 GLY QA . . 4.040 3.912 3.908 3.922 . 0 0 "[ . 1 . 2]" 1
576 1 69 VAL HB 1 70 GLY H . . 3.670 3.487 3.434 3.582 . 0 0 "[ . 1 . 2]" 1
577 1 69 VAL HB 1 70 GLY QA . . 4.920 4.471 4.445 4.510 . 0 0 "[ . 1 . 2]" 1
578 1 69 VAL HB 1 73 ASP QB . . 3.860 3.184 2.772 3.753 . 0 0 "[ . 1 . 2]" 1
579 1 69 VAL HB 1 97 VAL MG1 . . 3.840 3.069 2.923 3.238 . 0 0 "[ . 1 . 2]" 1
580 1 69 VAL HB 1 97 VAL QG . . 4.780 3.055 2.913 3.217 . 0 0 "[ . 1 . 2]" 1
581 1 69 VAL HB 1 97 VAL MG2 . . 5.500 5.569 5.460 5.641 0.141 14 0 "[ . 1 . 2]" 1
582 1 69 VAL QG 1 97 VAL QG . . 4.140 2.705 2.482 2.835 . 0 0 "[ . 1 . 2]" 1
583 1 70 GLY H 1 73 ASP QB . . 3.520 2.190 2.097 2.273 . 0 0 "[ . 1 . 2]" 1
584 1 70 GLY O 1 73 ASP H . . 1.890 1.918 1.901 1.939 0.049 10 0 "[ . 1 . 2]" 1
585 1 71 ILE H 1 71 ILE HG12 . . 4.960 4.315 4.248 4.349 . 0 0 "[ . 1 . 2]" 1
586 1 71 ILE H 1 71 ILE QG . . 4.090 3.774 3.707 3.824 . 0 0 "[ . 1 . 2]" 1
587 1 71 ILE H 1 71 ILE HG13 . . 4.960 4.168 4.051 4.256 . 0 0 "[ . 1 . 2]" 1
588 1 71 ILE H 1 72 GLN H . . 3.900 2.733 2.722 2.746 . 0 0 "[ . 1 . 2]" 1
589 1 71 ILE HA 1 71 ILE MD . . 4.040 3.641 3.570 3.682 . 0 0 "[ . 1 . 2]" 1
590 1 71 ILE HA 1 71 ILE QG . . 3.640 2.128 2.062 2.168 . 0 0 "[ . 1 . 2]" 1
591 1 71 ILE HA 1 72 GLN QB . . 5.500 5.434 5.360 5.489 . 0 0 "[ . 1 . 2]" 1
592 1 71 ILE HA 1 72 GLN QG . . 5.500 5.138 4.957 5.338 . 0 0 "[ . 1 . 2]" 1
593 1 71 ILE HA 1 74 GLU QG . . 3.860 3.944 2.828 4.202 0.342 9 0 "[ . 1 . 2]" 1
594 1 71 ILE HA 1 97 VAL QG . . 5.440 1.792 1.697 1.827 . 0 0 "[ . 1 . 2]" 1
595 1 71 ILE HB 1 72 GLN H . . 3.650 3.732 3.681 3.770 0.120 19 0 "[ . 1 . 2]" 1
596 1 71 ILE HB 1 72 GLN QG . . 5.330 4.868 4.397 5.293 . 0 0 "[ . 1 . 2]" 1
597 1 71 ILE HB 1 98 TYR HA . . 7.500 7.584 7.520 7.670 0.170 18 0 "[ . 1 . 2]" 1
598 1 71 ILE MD 1 72 GLN H . . 5.500 4.503 4.343 4.664 . 0 0 "[ . 1 . 2]" 1
599 1 71 ILE MD 1 98 TYR QB . . 5.460 5.361 5.199 5.515 0.055 15 0 "[ . 1 . 2]" 1
600 1 71 ILE QG 1 98 TYR HA . . 5.820 5.586 5.526 5.632 . 0 0 "[ . 1 . 2]" 1
601 1 71 ILE QG 1 98 TYR QB . . 4.310 4.240 4.110 4.440 0.130 18 0 "[ . 1 . 2]" 1
602 1 71 ILE HG12 1 98 TYR HA . . 6.500 6.721 6.661 6.802 0.302 8 0 "[ . 1 . 2]" 1
603 1 71 ILE HG13 1 98 TYR HA . . 5.900 5.971 5.883 6.034 0.134 3 0 "[ . 1 . 2]" 1
604 1 71 ILE O 1 74 GLU H . . 2.280 2.414 2.371 2.458 0.178 7 0 "[ . 1 . 2]" 1
605 1 72 GLN H 1 72 GLN QB . . 3.650 2.440 2.237 2.653 . 0 0 "[ . 1 . 2]" 1
606 1 72 GLN H 1 72 GLN QG . . 3.760 2.333 1.942 2.751 . 0 0 "[ . 1 . 2]" 1
607 1 72 GLN H 1 73 ASP H . . 3.700 2.448 2.433 2.462 . 0 0 "[ . 1 . 2]" 1
608 1 72 GLN H 1 73 ASP QB . . 4.110 4.181 4.143 4.219 0.109 12 0 "[ . 1 . 2]" 1
609 1 72 GLN H 1 74 GLU H . . 4.380 4.016 3.960 4.088 . 0 0 "[ . 1 . 2]" 1
610 1 72 GLN HA 1 72 GLN QE . . 4.390 4.173 3.638 4.369 . 0 0 "[ . 1 . 2]" 1
611 1 72 GLN QB 1 72 GLN HE22 . . 4.460 3.360 3.233 3.575 . 0 0 "[ . 1 . 2]" 1
612 1 72 GLN QB 1 72 GLN QG . . 2.400 2.075 2.018 2.086 . 0 0 "[ . 1 . 2]" 1
613 1 72 GLN QB 1 73 ASP H . . 4.070 3.196 2.929 3.636 . 0 0 "[ . 1 . 2]" 1
614 1 73 ASP H 1 74 GLU H . . 3.420 2.517 2.468 2.581 . 0 0 "[ . 1 . 2]" 1
615 1 73 ASP H 1 74 GLU QB . . 4.960 4.306 4.157 4.490 . 0 0 "[ . 1 . 2]" 1
616 1 73 ASP H 1 97 VAL MG1 . . 5.450 3.826 3.689 4.088 . 0 0 "[ . 1 . 2]" 1
617 1 73 ASP H 1 97 VAL QG . . 4.490 3.676 3.556 3.895 . 0 0 "[ . 1 . 2]" 1
618 1 73 ASP H 1 97 VAL MG2 . . 5.450 4.768 4.509 4.901 . 0 0 "[ . 1 . 2]" 1
619 1 73 ASP HA 1 73 ASP QB . . 2.520 2.481 2.154 2.536 0.016 19 0 "[ . 1 . 2]" 1
620 1 73 ASP QB 1 74 GLU H . . 3.950 3.375 3.327 3.675 . 0 0 "[ . 1 . 2]" 1
621 1 74 GLU H 1 74 GLU QB . . 2.850 2.285 2.060 2.454 . 0 0 "[ . 1 . 2]" 1
622 1 74 GLU HA 1 74 GLU QG . . 3.360 3.057 2.056 3.428 0.068 11 0 "[ . 1 . 2]" 1
623 1 74 GLU HA 1 75 GLY H . . 3.200 2.216 2.207 2.226 . 0 0 "[ . 1 . 2]" 1
624 1 74 GLU HA 1 75 GLY QA . . 5.340 3.936 3.933 3.941 . 0 0 "[ . 1 . 2]" 1
625 1 74 GLU HA 1 96 ARG HA . . 3.980 3.993 3.642 4.093 0.113 16 0 "[ . 1 . 2]" 1
626 1 74 GLU HA 1 97 VAL H . . 4.370 4.133 3.868 4.462 0.092 13 0 "[ . 1 . 2]" 1
627 1 74 GLU QB 1 75 GLY H . . 3.800 3.024 2.940 3.363 . 0 0 "[ . 1 . 2]" 1
628 1 74 GLU QB 1 75 GLY QA . . 4.650 3.934 3.618 4.040 . 0 0 "[ . 1 . 2]" 1
629 1 74 GLU QB 1 95 VAL QG . . 4.810 4.134 3.635 4.840 0.030 8 0 "[ . 1 . 2]" 1
630 1 74 GLU QB 1 96 ARG HA . . 4.260 3.271 2.816 4.139 . 0 0 "[ . 1 . 2]" 1
631 1 74 GLU QB 1 96 ARG QB . . 5.340 5.034 4.696 5.627 0.287 10 0 "[ . 1 . 2]" 1
632 1 74 GLU QB 1 96 ARG QD . . 3.980 3.717 3.046 4.069 0.089 10 0 "[ . 1 . 2]" 1
633 1 75 GLY H 1 76 ILE H . . 4.650 4.277 4.213 4.356 . 0 0 "[ . 1 . 2]" 1
634 1 75 GLY H 1 95 VAL H . . 3.860 3.710 3.497 3.870 0.010 9 0 "[ . 1 . 2]" 1
635 1 75 GLY H 1 95 VAL HB . . 3.960 3.284 2.949 3.617 . 0 0 "[ . 1 . 2]" 1
636 1 75 GLY H 1 95 VAL QG . . 3.780 3.513 3.262 3.895 0.115 18 0 "[ . 1 . 2]" 1
637 1 75 GLY QA 1 76 ILE HA . . 4.030 3.953 3.947 3.960 . 0 0 "[ . 1 . 2]" 1
638 1 75 GLY QA 1 76 ILE MD . . 4.290 3.348 2.624 4.407 0.117 8 0 "[ . 1 . 2]" 1
639 1 75 GLY QA 1 76 ILE QG . . 3.980 3.573 3.054 3.972 . 0 0 "[ . 1 . 2]" 1
640 1 75 GLY QA 1 76 ILE MG . . 5.200 4.957 4.835 4.982 . 0 0 "[ . 1 . 2]" 1
641 1 75 GLY HA2 1 76 ILE HA . . 4.650 4.495 4.476 4.522 . 0 0 "[ . 1 . 2]" 1
642 1 75 GLY HA2 1 76 ILE HB . . 5.500 4.988 4.751 5.291 . 0 0 "[ . 1 . 2]" 1
643 1 75 GLY HA3 1 76 ILE HA . . 4.650 4.384 4.376 4.388 . 0 0 "[ . 1 . 2]" 1
644 1 75 GLY HA3 1 76 ILE HB . . 5.500 4.744 4.498 5.158 . 0 0 "[ . 1 . 2]" 1
645 1 75 GLY O 1 95 VAL H . . 1.990 2.114 2.013 2.190 0.200 4 0 "[ . 1 . 2]" 1
646 1 76 ILE H 1 76 ILE HB . . 4.110 2.656 2.535 2.919 . 0 0 "[ . 1 . 2]" 1
647 1 76 ILE H 1 76 ILE MD . . 4.130 3.092 2.165 4.013 . 0 0 "[ . 1 . 2]" 1
648 1 76 ILE H 1 76 ILE QG . . 3.880 3.215 2.554 3.567 . 0 0 "[ . 1 . 2]" 1
649 1 76 ILE H 1 76 ILE MG . . 4.140 3.823 3.667 3.943 . 0 0 "[ . 1 . 2]" 1
650 1 76 ILE HA 1 76 ILE MD . . 3.730 3.358 2.102 3.881 0.151 10 0 "[ . 1 . 2]" 1
651 1 76 ILE HA 1 76 ILE MG . . 3.550 2.391 2.255 2.573 . 0 0 "[ . 1 . 2]" 1
652 1 76 ILE HA 1 77 PHE H . . 3.140 2.163 2.150 2.178 . 0 0 "[ . 1 . 2]" 1
653 1 76 ILE HA 1 77 PHE QB . . 5.190 4.192 4.015 4.387 . 0 0 "[ . 1 . 2]" 1
654 1 76 ILE MG 1 78 ARG QG . . 3.890 2.504 2.190 3.208 . 0 0 "[ . 1 . 2]" 1
655 1 76 ILE MG 1 92 ASN QD . . 3.270 1.820 1.753 1.879 . 0 0 "[ . 1 . 2]" 1
656 1 77 PHE H 1 93 TYR O . . 1.970 1.879 1.786 1.975 0.005 15 0 "[ . 1 . 2]" 1
657 1 77 PHE HA 1 77 PHE QB . . 2.590 2.338 2.236 2.441 . 0 0 "[ . 1 . 2]" 1
658 1 77 PHE HA 1 78 ARG H . . 3.140 2.194 2.154 2.234 . 0 0 "[ . 1 . 2]" 1
659 1 77 PHE QB 1 93 TYR QB . . 2.970 2.808 2.376 3.038 0.068 3 0 "[ . 1 . 2]" 1
660 1 77 PHE O 1 93 TYR H . . 1.680 1.753 1.723 1.808 0.128 12 0 "[ . 1 . 2]" 1
661 1 78 ARG H 1 78 ARG QB . . 3.700 2.790 2.690 2.869 . 0 0 "[ . 1 . 2]" 1
662 1 78 ARG H 1 78 ARG QD . . 5.110 3.184 2.221 4.640 . 0 0 "[ . 1 . 2]" 1
663 1 78 ARG H 1 78 ARG QG . . 4.210 2.915 2.511 3.293 . 0 0 "[ . 1 . 2]" 1
664 1 78 ARG HA 1 78 ARG QB . . 2.790 2.285 2.251 2.326 . 0 0 "[ . 1 . 2]" 1
665 1 78 ARG HA 1 78 ARG QD . . 4.050 3.903 3.603 4.153 0.103 13 0 "[ . 1 . 2]" 1
666 1 78 ARG HA 1 78 ARG QG . . 2.400 2.578 2.505 2.656 0.256 11 0 "[ . 1 . 2]" 1
667 1 78 ARG HA 1 79 CYS H . . 3.180 2.218 2.154 2.260 . 0 0 "[ . 1 . 2]" 1
668 1 78 ARG QB 1 79 CYS H . . 3.920 2.901 2.775 3.169 . 0 0 "[ . 1 . 2]" 1
669 1 78 ARG QB 1 79 CYS QB . . 5.500 4.687 4.601 4.841 . 0 0 "[ . 1 . 2]" 1
670 1 78 ARG QD 1 79 CYS H . . 5.500 5.226 5.081 5.505 0.005 12 0 "[ . 1 . 2]" 1
671 1 78 ARG QG 1 79 CYS H . . 5.230 4.277 4.116 4.456 . 0 0 "[ . 1 . 2]" 1
672 1 78 ARG QG 1 92 ASN QD . . 3.600 2.778 1.798 3.695 0.095 14 0 "[ . 1 . 2]" 1
673 1 79 CYS H 1 91 SER H . . 3.770 2.843 2.691 3.074 . 0 0 "[ . 1 . 2]" 1
674 1 79 CYS H 1 91 SER QB . . 3.440 3.102 2.752 3.374 . 0 0 "[ . 1 . 2]" 1
675 1 79 CYS H 1 91 SER O . . 2.000 1.815 1.773 1.926 . 0 0 "[ . 1 . 2]" 1
676 1 79 CYS HA 1 80 GLN H . . 3.190 2.310 2.274 2.342 . 0 0 "[ . 1 . 2]" 1
677 1 79 CYS QB 1 91 SER QB . . 3.060 2.333 1.953 3.072 0.012 19 0 "[ . 1 . 2]" 1
678 1 79 CYS QB 1 91 SER HG . . 3.910 3.343 2.393 4.083 0.173 19 0 "[ . 1 . 2]" 1
679 1 79 CYS O 1 91 SER H . . 2.000 2.222 2.166 2.353 0.353 10 0 "[ . 1 . 2]" 1
680 1 80 GLN HA 1 81 ALA H . . 3.190 2.166 2.147 2.222 . 0 0 "[ . 1 . 2]" 1
681 1 81 ALA H 1 89 THR H . . 3.810 2.766 2.602 2.881 . 0 0 "[ . 1 . 2]" 1
682 1 81 ALA H 1 89 THR O . . 2.030 2.064 2.020 2.117 0.087 18 0 "[ . 1 . 2]" 1
683 1 81 ALA HA 1 82 MET H . . 3.180 2.395 2.386 2.408 . 0 0 "[ . 1 . 2]" 1
684 1 81 ALA HA 1 82 MET QB . . 4.410 4.021 3.943 4.373 . 0 0 "[ . 1 . 2]" 1
685 1 81 ALA MB 1 82 MET H . . 3.820 2.517 2.425 2.584 . 0 0 "[ . 1 . 2]" 1
686 1 81 ALA MB 1 82 MET QB . . 5.500 4.333 4.267 4.530 . 0 0 "[ . 1 . 2]" 1
687 1 81 ALA MB 1 82 MET QG . . 5.500 5.116 4.278 5.473 . 0 0 "[ . 1 . 2]" 1
688 1 81 ALA O 1 89 THR H . . 1.950 1.877 1.792 1.975 0.025 12 0 "[ . 1 . 2]" 1
689 1 82 MET H 1 82 MET QB . . 3.810 2.541 2.481 2.658 . 0 0 "[ . 1 . 2]" 1
690 1 82 MET H 1 82 MET QG . . 3.970 3.811 3.018 4.124 0.154 11 0 "[ . 1 . 2]" 1
691 1 82 MET HA 1 82 MET QB . . 2.550 2.338 2.301 2.521 . 0 0 "[ . 1 . 2]" 1
692 1 82 MET HA 1 82 MET QG . . 2.710 2.501 2.166 2.821 0.111 11 0 "[ . 1 . 2]" 1
693 1 82 MET HA 1 83 ASN H . . 3.090 2.147 2.146 2.149 . 0 0 "[ . 1 . 2]" 1
694 1 82 MET HA 1 88 GLU HA . . 3.460 2.169 2.040 2.426 . 0 0 "[ . 1 . 2]" 1
695 1 82 MET QB 1 83 ASN QB . . 5.410 5.297 4.861 5.539 0.129 6 0 "[ . 1 . 2]" 1
696 1 82 MET ME 1 88 GLU HA . . 3.640 3.323 2.999 3.497 . 0 0 "[ . 1 . 2]" 1
697 1 83 ASN H 1 87 LYS O . . 1.950 2.002 1.959 2.039 0.089 12 0 "[ . 1 . 2]" 1
698 1 83 ASN H 1 88 GLU HA . . 3.870 3.153 3.031 3.437 . 0 0 "[ . 1 . 2]" 1
699 1 83 ASN HA 1 83 ASN QB . . 2.550 2.429 2.273 2.485 . 0 0 "[ . 1 . 2]" 1
700 1 83 ASN QB 1 86 GLY H . . 3.870 3.240 2.977 3.372 . 0 0 "[ . 1 . 2]" 1
701 1 83 ASN QB 1 86 GLY QA . . 5.120 4.746 4.545 4.845 . 0 0 "[ . 1 . 2]" 1
702 1 83 ASN QD 1 89 THR HG1 . . 3.100 2.401 1.924 2.927 . 0 0 "[ . 1 . 2]" 1
703 1 85 ASN H 1 85 ASN QB . . 3.690 2.297 2.160 2.532 . 0 0 "[ . 1 . 2]" 1
704 1 85 ASN HA 1 85 ASN QD . . 3.680 2.926 1.974 3.641 . 0 0 "[ . 1 . 2]" 1
705 1 85 ASN HA 1 86 GLY QA . . 4.440 4.200 4.197 4.207 . 0 0 "[ . 1 . 2]" 1
706 1 85 ASN QB 1 86 GLY H . . 4.290 3.020 2.899 3.062 . 0 0 "[ . 1 . 2]" 1
707 1 85 ASN QB 1 86 GLY QA . . 5.440 4.000 3.934 4.085 . 0 0 "[ . 1 . 2]" 1
708 1 86 GLY H 1 87 LYS H . . 4.570 2.414 2.258 2.506 . 0 0 "[ . 1 . 2]" 1
709 1 86 GLY QA 1 87 LYS HA . . 5.500 4.032 4.025 4.049 . 0 0 "[ . 1 . 2]" 1
710 1 86 GLY QA 1 87 LYS QE . . 5.500 4.172 2.623 5.468 . 0 0 "[ . 1 . 2]" 1
711 1 87 LYS H 1 87 LYS QD . . 5.040 3.571 2.112 4.379 . 0 0 "[ . 1 . 2]" 1
712 1 87 LYS H 1 87 LYS QE . . 5.200 3.308 2.054 4.555 . 0 0 "[ . 1 . 2]" 1
713 1 87 LYS HA 1 87 LYS QE . . 3.710 3.399 2.060 4.048 0.338 5 0 "[ . 1 . 2]" 1
714 1 87 LYS HA 1 88 GLU H . . 3.480 2.256 2.245 2.270 . 0 0 "[ . 1 . 2]" 1
715 1 87 LYS HA 1 88 GLU QB . . 5.420 4.067 3.994 4.153 . 0 0 "[ . 1 . 2]" 1
716 1 87 LYS QB 1 87 LYS QE . . 4.210 2.680 1.882 3.704 . 0 0 "[ . 1 . 2]" 1
717 1 87 LYS QB 1 88 GLU H . . 2.860 2.805 2.751 2.865 0.005 4 0 "[ . 1 . 2]" 1
718 1 88 GLU H 1 88 GLU QB . . 3.570 2.488 2.263 2.665 . 0 0 "[ . 1 . 2]" 1
719 1 88 GLU H 1 88 GLU QG . . 4.050 3.350 2.396 4.088 0.038 2 0 "[ . 1 . 2]" 1
720 1 88 GLU HA 1 88 GLU QB . . 2.400 2.233 2.165 2.505 0.105 13 0 "[ . 1 . 2]" 1
721 1 88 GLU HA 1 88 GLU QG . . 3.360 3.055 2.073 3.425 0.065 1 0 "[ . 1 . 2]" 1
722 1 88 GLU HA 1 89 THR H . . 3.170 2.227 2.205 2.267 . 0 0 "[ . 1 . 2]" 1
723 1 88 GLU HA 1 89 THR HB . . 5.430 5.182 4.888 5.449 0.019 10 0 "[ . 1 . 2]" 1
724 1 88 GLU QB 1 89 THR H . . 3.610 3.095 2.783 3.601 . 0 0 "[ . 1 . 2]" 1
725 1 88 GLU QG 1 89 THR H . . 3.410 3.137 2.086 3.523 0.113 16 0 "[ . 1 . 2]" 1
726 1 89 THR H 1 89 THR HB . . 3.590 3.050 2.780 3.334 . 0 0 "[ . 1 . 2]" 1
727 1 89 THR H 1 90 LYS H . . 4.770 4.453 4.399 4.479 . 0 0 "[ . 1 . 2]" 1
728 1 89 THR HA 1 89 THR MG . . 2.740 2.090 1.976 2.282 . 0 0 "[ . 1 . 2]" 1
729 1 89 THR HA 1 90 LYS H . . 3.180 2.161 2.145 2.174 . 0 0 "[ . 1 . 2]" 1
730 1 89 THR HB 1 90 LYS HA . . 5.500 4.478 4.366 4.645 . 0 0 "[ . 1 . 2]" 1
731 1 89 THR MG 1 90 LYS H . . 4.210 2.825 2.565 3.271 . 0 0 "[ . 1 . 2]" 1
732 1 90 LYS H 1 90 LYS QG . . 4.440 2.812 1.910 3.914 . 0 0 "[ . 1 . 2]" 1
733 1 90 LYS HA 1 90 LYS QB . . 2.400 2.309 2.160 2.505 0.105 1 0 "[ . 1 . 2]" 1
734 1 90 LYS HA 1 90 LYS QE . . 3.510 3.578 3.455 3.744 0.234 5 0 "[ . 1 . 2]" 1
735 1 90 LYS HA 1 91 SER H . . 3.230 2.234 2.214 2.244 . 0 0 "[ . 1 . 2]" 1
736 1 91 SER HA 1 91 SER QB . . 2.550 2.308 2.186 2.434 . 0 0 "[ . 1 . 2]" 1
737 1 91 SER HA 1 92 ASN H . . 2.520 2.146 2.140 2.151 . 0 0 "[ . 1 . 2]" 1
738 1 91 SER HA 1 92 ASN QB . . 4.100 4.033 3.999 4.085 . 0 0 "[ . 1 . 2]" 1
739 1 91 SER QB 1 92 ASN H . . 3.620 3.342 3.189 3.786 0.166 18 0 "[ . 1 . 2]" 1
740 1 91 SER QB 1 93 TYR HE1 . . 3.590 2.827 1.975 3.716 0.126 8 0 "[ . 1 . 2]" 1
741 1 91 SER HB2 1 92 ASN H . . 4.250 4.120 3.819 4.314 0.064 1 0 "[ . 1 . 2]" 1
742 1 91 SER HB3 1 92 ASN H . . 4.250 3.564 3.303 4.255 0.005 18 0 "[ . 1 . 2]" 1
743 1 92 ASN H 1 93 TYR H . . 4.280 4.325 4.298 4.357 0.077 9 0 "[ . 1 . 2]" 1
744 1 92 ASN HA 1 92 ASN HD21 . . 3.940 2.647 1.943 3.514 . 0 0 "[ . 1 . 2]" 1
745 1 92 ASN HA 1 92 ASN QD . . 3.290 2.587 1.931 3.336 0.046 19 0 "[ . 1 . 2]" 1
746 1 92 ASN HA 1 92 ASN HD22 . . 3.940 3.896 3.355 4.155 0.215 19 0 "[ . 1 . 2]" 1
747 1 92 ASN HA 1 93 TYR H . . 3.220 2.145 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
748 1 92 ASN QB 1 93 TYR H . . 4.180 3.734 3.616 3.791 . 0 0 "[ . 1 . 2]" 1
749 1 92 ASN QD 1 93 TYR H . . 3.310 2.759 2.223 3.329 0.019 18 0 "[ . 1 . 2]" 1
750 1 93 TYR H 1 94 ARG H . . 4.620 4.224 4.182 4.284 . 0 0 "[ . 1 . 2]" 1
751 1 93 TYR HA 1 94 ARG H . . 3.180 2.139 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
752 1 93 TYR HA 1 94 ARG QB . . 4.710 4.499 4.399 4.590 . 0 0 "[ . 1 . 2]" 1
753 1 93 TYR HA 1 94 ARG QD . . 3.940 3.725 3.201 4.003 0.063 14 0 "[ . 1 . 2]" 1
754 1 93 TYR HA 1 94 ARG QG . . 4.080 3.868 3.509 4.110 0.030 9 0 "[ . 1 . 2]" 1
755 1 93 TYR QB 1 94 ARG H . . 3.840 3.387 3.280 3.442 . 0 0 "[ . 1 . 2]" 1
756 1 93 TYR QB 1 95 VAL MG2 . . 3.800 3.266 3.167 3.438 . 0 0 "[ . 1 . 2]" 1
757 1 94 ARG H 1 94 ARG QD . . 4.470 2.492 1.933 2.978 . 0 0 "[ . 1 . 2]" 1
758 1 94 ARG H 1 94 ARG QG . . 4.110 2.302 1.898 2.703 . 0 0 "[ . 1 . 2]" 1
759 1 94 ARG HA 1 94 ARG QD . . 4.200 3.663 2.195 4.118 . 0 0 "[ . 1 . 2]" 1
760 1 94 ARG HA 1 94 ARG HG2 . . 4.130 3.395 3.192 3.604 . 0 0 "[ . 1 . 2]" 1
761 1 94 ARG HA 1 94 ARG QG . . 3.400 2.897 2.403 3.409 0.009 9 0 "[ . 1 . 2]" 1
762 1 94 ARG HA 1 94 ARG HG3 . . 4.130 3.317 2.485 4.206 0.076 9 0 "[ . 1 . 2]" 1
763 1 94 ARG HA 1 95 VAL H . . 3.080 2.166 2.145 2.184 . 0 0 "[ . 1 . 2]" 1
764 1 94 ARG HA 1 95 VAL HA . . 4.470 4.399 4.395 4.405 . 0 0 "[ . 1 . 2]" 1
765 1 94 ARG HA 1 95 VAL HB . . 4.310 4.508 4.467 4.556 0.246 14 0 "[ . 1 . 2]" 1
766 1 94 ARG HA 1 95 VAL QG . . 3.920 3.666 3.526 3.743 . 0 0 "[ . 1 . 2]" 1
767 1 94 ARG QB 1 94 ARG QD . . 2.940 2.131 1.927 2.466 . 0 0 "[ . 1 . 2]" 1
768 1 94 ARG QB 1 94 ARG QG . . 2.360 2.021 1.988 2.032 . 0 0 "[ . 1 . 2]" 1
769 1 94 ARG QB 1 95 VAL H . . 4.200 3.092 3.003 3.228 . 0 0 "[ . 1 . 2]" 1
770 1 94 ARG QB 1 95 VAL QG . . 5.230 4.376 4.261 4.485 . 0 0 "[ . 1 . 2]" 1
771 1 94 ARG QG 1 95 VAL H . . 4.770 4.309 4.120 4.759 . 0 0 "[ . 1 . 2]" 1
772 1 95 VAL H 1 95 VAL HB . . 3.980 2.602 2.573 2.645 . 0 0 "[ . 1 . 2]" 1
773 1 95 VAL H 1 95 VAL QG . . 4.040 2.811 2.706 2.893 . 0 0 "[ . 1 . 2]" 1
774 1 95 VAL HA 1 95 VAL QG . . 3.120 2.080 2.043 2.134 . 0 0 "[ . 1 . 2]" 1
775 1 95 VAL HA 1 96 ARG H . . 3.130 2.190 2.174 2.205 . 0 0 "[ . 1 . 2]" 1
776 1 95 VAL HA 1 96 ARG QG . . 5.410 5.239 4.225 5.752 0.342 3 0 "[ . 1 . 2]" 1
777 1 95 VAL HB 1 96 ARG QB . . 5.500 5.671 5.560 5.796 0.296 13 0 "[ . 1 . 2]" 1
778 1 95 VAL QG 1 96 ARG H . . 3.590 2.249 2.121 2.337 . 0 0 "[ . 1 . 2]" 1
779 1 95 VAL QG 1 96 ARG QG . . 5.500 4.790 4.400 4.990 . 0 0 "[ . 1 . 2]" 1
780 1 95 VAL MG1 1 97 VAL MG1 . . 3.950 3.000 2.855 3.168 . 0 0 "[ . 1 . 2]" 1
781 1 96 ARG H 1 96 ARG QB . . 3.720 2.510 2.471 2.552 . 0 0 "[ . 1 . 2]" 1
782 1 96 ARG H 1 96 ARG QD . . 5.500 4.276 3.312 4.827 . 0 0 "[ . 1 . 2]" 1
783 1 96 ARG H 1 96 ARG QG . . 4.870 4.025 3.437 4.276 . 0 0 "[ . 1 . 2]" 1
784 1 96 ARG H 1 97 VAL H . . 4.370 4.335 4.284 4.447 0.077 10 0 "[ . 1 . 2]" 1
785 1 96 ARG H 1 97 VAL HA . . 4.810 4.777 4.743 4.833 0.023 13 0 "[ . 1 . 2]" 1
786 1 96 ARG HA 1 96 ARG QB . . 2.790 2.503 2.261 2.539 . 0 0 "[ . 1 . 2]" 1
787 1 96 ARG HA 1 96 ARG QD . . 2.530 2.332 1.952 2.575 0.045 14 0 "[ . 1 . 2]" 1
788 1 96 ARG HA 1 97 VAL H . . 3.490 2.183 2.152 2.302 . 0 0 "[ . 1 . 2]" 1
789 1 96 ARG QB 1 97 VAL H . . 3.470 3.376 2.813 3.551 0.081 3 0 "[ . 1 . 2]" 1
790 1 97 VAL H 1 97 VAL QG . . 3.860 1.997 1.870 2.097 . 0 0 "[ . 1 . 2]" 1
791 1 97 VAL HA 1 97 VAL HB . . 3.000 2.404 2.376 2.469 . 0 0 "[ . 1 . 2]" 1
792 1 97 VAL HA 1 97 VAL QG . . 2.560 2.335 2.222 2.403 . 0 0 "[ . 1 . 2]" 1
793 1 97 VAL HA 1 98 TYR H . . 3.420 2.631 2.615 2.649 . 0 0 "[ . 1 . 2]" 1
794 1 97 VAL HB 1 98 TYR H . . 3.420 2.019 1.957 2.062 . 0 0 "[ . 1 . 2]" 1
795 1 97 VAL HB 1 98 TYR HA . . 4.990 4.672 4.577 4.721 . 0 0 "[ . 1 . 2]" 1
796 1 97 VAL QG 1 98 TYR H . . 4.320 2.728 2.647 2.875 . 0 0 "[ . 1 . 2]" 1
797 1 98 TYR H 1 98 TYR QB . . 3.770 2.242 2.237 2.247 . 0 0 "[ . 1 . 2]" 1
798 1 98 TYR HA 1 99 GLN H . . 4.270 3.538 3.532 3.547 . 0 0 "[ . 1 . 2]" 1
799 1 98 TYR HA 1 99 GLN QB . . 5.410 5.198 5.167 5.246 . 0 0 "[ . 1 . 2]" 1
800 1 98 TYR QB 1 99 GLN H . . 4.680 1.925 1.902 1.951 . 0 0 "[ . 1 . 2]" 1
801 1 98 TYR QB 1 99 GLN HA . . 5.500 4.271 4.232 4.307 . 0 0 "[ . 1 . 2]" 1
802 1 98 TYR QB 1 99 GLN QB . . 5.600 3.545 3.472 3.613 . 0 0 "[ . 1 . 2]" 1
803 1 98 TYR QB 1 100 ILE H . . 6.860 6.077 6.033 6.097 . 0 0 "[ . 1 . 2]" 1
804 1 98 TYR QB 1 100 ILE QG . . 5.940 5.994 5.969 6.012 0.072 16 0 "[ . 1 . 2]" 1
805 1 99 GLN H 1 99 GLN QB . . 3.650 2.152 2.039 2.255 . 0 0 "[ . 1 . 2]" 1
806 1 99 GLN H 1 100 ILE H . . 5.300 4.622 4.613 4.632 . 0 0 "[ . 1 . 2]" 1
807 1 99 GLN H 1 100 ILE QG . . 5.110 5.138 5.114 5.163 0.053 11 0 "[ . 1 . 2]" 1
808 1 99 GLN HA 1 99 GLN HE21 . . 3.310 2.207 1.944 2.820 . 0 0 "[ . 1 . 2]" 1
809 1 99 GLN HA 1 99 GLN QE . . 2.790 2.158 1.932 2.673 . 0 0 "[ . 1 . 2]" 1
810 1 99 GLN HA 1 99 GLN HE22 . . 3.310 3.270 3.156 3.337 0.027 17 0 "[ . 1 . 2]" 1
811 1 99 GLN HA 1 99 GLN QG . . 3.890 2.646 2.355 2.998 . 0 0 "[ . 1 . 2]" 1
812 1 99 GLN HA 1 100 ILE H . . 3.200 2.234 2.208 2.249 . 0 0 "[ . 1 . 2]" 1
813 1 99 GLN QB 1 99 GLN QE . . 3.590 2.989 1.929 3.468 . 0 0 "[ . 1 . 2]" 1
814 1 99 GLN QB 1 100 ILE H . . 4.360 3.393 3.159 3.576 . 0 0 "[ . 1 . 2]" 1
815 1 99 GLN QB 1 100 ILE HB . . 6.340 6.148 5.908 6.351 0.011 12 0 "[ . 1 . 2]" 1
816 1 99 GLN QB 1 100 ILE MD . . 5.840 5.924 5.838 5.991 0.151 12 0 "[ . 1 . 2]" 1
817 1 99 GLN QB 1 100 ILE QG . . 5.610 4.573 4.457 4.664 . 0 0 "[ . 1 . 2]" 1
818 1 99 GLN QG 1 100 ILE H . . 3.560 2.722 2.179 3.618 0.058 15 0 "[ . 1 . 2]" 1
819 1 100 ILE H 1 100 ILE MD . . 5.500 3.685 3.681 3.692 . 0 0 "[ . 1 . 2]" 1
820 1 100 ILE H 1 100 ILE HG12 . . 3.330 2.341 2.289 2.362 . 0 0 "[ . 1 . 2]" 1
821 1 100 ILE H 1 100 ILE HG13 . . 3.330 2.153 2.130 2.208 . 0 0 "[ . 1 . 2]" 1
822 1 100 ILE HA 1 100 ILE MD . . 4.340 4.120 4.113 4.131 . 0 0 "[ . 1 . 2]" 1
823 1 100 ILE HA 1 100 ILE HG12 . . 3.750 3.425 3.406 3.471 . 0 0 "[ . 1 . 2]" 1
824 1 100 ILE HA 1 100 ILE HG13 . . 3.750 3.710 3.700 3.720 . 0 0 "[ . 1 . 2]" 1
825 1 101 PRO HA 1 102 GLY QA . . 4.560 4.141 3.902 4.461 . 0 0 "[ . 1 . 2]" 1
826 1 101 PRO QB 1 102 GLY QA . . 4.180 3.955 3.494 4.200 0.020 15 0 "[ . 1 . 2]" 1
827 1 102 GLY H 1 102 GLY QA . . 2.760 2.304 2.193 2.499 . 0 0 "[ . 1 . 2]" 1
828 1 102 GLY H 1 103 LYS H . . 3.770 3.161 2.070 3.752 . 0 0 "[ . 1 . 2]" 1
829 1 102 GLY QA 1 103 LYS QB . . 4.390 3.977 3.528 4.416 0.026 4 0 "[ . 1 . 2]" 1
830 1 104 PRO HA 1 105 GLU H . . 3.130 2.414 2.154 2.636 . 0 0 "[ . 1 . 2]" 1
831 1 104 PRO HA 1 105 GLU QB . . 5.500 4.164 3.864 4.632 . 0 0 "[ . 1 . 2]" 1
832 1 104 PRO QB 1 105 GLU H . . 3.720 2.588 2.054 3.726 0.006 4 0 "[ . 1 . 2]" 1
833 1 105 GLU H 1 105 GLU QB . . 3.580 2.700 2.213 3.463 . 0 0 "[ . 1 . 2]" 1
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