NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382776 |
1jnj   |
5169 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jnj
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 771
_Distance_constraint_stats_list.Viol_count 1936
_Distance_constraint_stats_list.Viol_total 3979.598
_Distance_constraint_stats_list.Viol_max 0.607
_Distance_constraint_stats_list.Viol_rms 0.0474
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0129
_Distance_constraint_stats_list.Viol_average_violations_only 0.1028
_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 2 ILE 2.538 0.511 11 1 "[ . 1+ . 2]"
1 3 GLN 1.831 0.511 11 1 "[ . 1+ . 2]"
1 4 ARG 2.377 0.272 18 0 "[ . 1 . 2]"
1 5 THR 0.496 0.166 5 0 "[ . 1 . 2]"
1 6 PRO 3.832 0.217 17 0 "[ . 1 . 2]"
1 7 LYS 2.099 0.398 15 0 "[ . 1 . 2]"
1 8 ILE 0.943 0.082 11 0 "[ . 1 . 2]"
1 9 GLN 9.415 0.334 4 0 "[ . 1 . 2]"
1 10 VAL 1.167 0.121 19 0 "[ . 1 . 2]"
1 11 TYR 3.259 0.233 5 0 "[ . 1 . 2]"
1 12 SER 3.941 0.327 3 0 "[ . 1 . 2]"
1 13 ARG 0.570 0.079 9 0 "[ . 1 . 2]"
1 14 HIS 2.848 0.198 11 0 "[ . 1 . 2]"
1 15 PRO 2.388 0.198 11 0 "[ . 1 . 2]"
1 16 ALA 0.318 0.063 20 0 "[ . 1 . 2]"
1 17 GLU 0.228 0.183 13 0 "[ . 1 . 2]"
1 18 ASN 2.013 0.183 13 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 15.509 0.576 16 8 "[* . * - * **+ *2]"
1 21 SER 23.182 0.576 16 8 "[* . * - * **+ *2]"
1 22 ASN 6.118 0.317 2 0 "[ . 1 . 2]"
1 23 PHE 1.100 0.172 8 0 "[ . 1 . 2]"
1 24 LEU 3.040 0.120 1 0 "[ . 1 . 2]"
1 25 ASN 5.270 0.202 20 0 "[ . 1 . 2]"
1 26 CYS 5.166 0.233 5 0 "[ . 1 . 2]"
1 27 TYR 7.800 0.607 16 1 "[ . 1 .+ 2]"
1 28 VAL 3.614 0.222 5 0 "[ . 1 . 2]"
1 29 SER 1.804 0.236 13 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 8.853 0.217 17 0 "[ . 1 . 2]"
1 32 HIS 6.285 0.294 7 0 "[ . 1 . 2]"
1 33 PRO 1.270 0.219 17 0 "[ . 1 . 2]"
1 34 SER 1.810 0.343 18 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.850 0.135 7 0 "[ . 1 . 2]"
1 37 GLU 11.145 0.301 17 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.796 0.135 3 0 "[ . 1 . 2]"
1 40 LEU 2.381 0.190 16 0 "[ . 1 . 2]"
1 41 LEU 3.999 0.156 9 0 "[ . 1 . 2]"
1 42 LYS 10.222 0.571 10 4 "[ .* +* -. 2]"
1 43 ASN 3.108 0.266 13 0 "[ . 1 . 2]"
1 44 GLY 0.273 0.083 4 0 "[ . 1 . 2]"
1 45 GLU 1.506 0.204 20 0 "[ . 1 . 2]"
1 46 ARG 0.286 0.103 14 0 "[ . 1 . 2]"
1 47 ILE 2.588 0.219 18 0 "[ . 1 . 2]"
1 48 GLU 1.956 0.306 20 0 "[ . 1 . 2]"
1 49 LYS 0.190 0.070 6 0 "[ . 1 . 2]"
1 50 VAL 1.168 0.109 14 0 "[ . 1 . 2]"
1 51 GLU 4.871 0.195 7 0 "[ . 1 . 2]"
1 52 HIS 0.482 0.116 13 0 "[ . 1 . 2]"
1 53 SER 4.045 0.254 15 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 2.499 0.292 6 0 "[ . 1 . 2]"
1 56 SER 3.599 0.363 12 0 "[ . 1 . 2]"
1 57 PHE 4.323 0.442 13 0 "[ . 1 . 2]"
1 58 SER 0.161 0.161 5 0 "[ . 1 . 2]"
1 59 LYS 3.949 0.331 7 0 "[ . 1 . 2]"
1 60 ASP 3.949 0.331 7 0 "[ . 1 . 2]"
1 61 TRP 2.723 0.356 2 0 "[ . 1 . 2]"
1 62 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 8.500 0.442 13 0 "[ . 1 . 2]"
1 64 TYR 4.538 0.236 13 0 "[ . 1 . 2]"
1 65 LEU 2.990 0.222 5 0 "[ . 1 . 2]"
1 66 LEU 1.826 0.607 16 1 "[ . 1 .+ 2]"
1 67 TYR 4.961 0.254 15 0 "[ . 1 . 2]"
1 68 TYR 8.071 0.445 11 0 "[ . 1 . 2]"
1 69 THR 7.122 0.445 11 0 "[ . 1 . 2]"
1 70 GLU 3.555 0.223 15 0 "[ . 1 . 2]"
1 71 PHE 4.703 0.345 19 0 "[ . 1 . 2]"
1 72 THR 4.908 0.345 19 0 "[ . 1 . 2]"
1 73 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 THR 1.602 0.374 8 0 "[ . 1 . 2]"
1 75 GLU 2.496 0.371 8 0 "[ . 1 . 2]"
1 76 LYS 0.418 0.129 17 0 "[ . 1 . 2]"
1 77 ASP 2.824 0.196 6 0 "[ . 1 . 2]"
1 78 GLU 1.240 0.297 19 0 "[ . 1 . 2]"
1 79 TYR 5.217 0.266 13 0 "[ . 1 . 2]"
1 80 ALA 2.757 0.142 1 0 "[ . 1 . 2]"
1 81 CYS 0.314 0.058 19 0 "[ . 1 . 2]"
1 82 ARG 2.983 0.190 16 0 "[ . 1 . 2]"
1 83 VAL 1.366 0.123 15 0 "[ . 1 . 2]"
1 84 ASN 2.849 0.406 12 0 "[ . 1 . 2]"
1 85 HIS 4.566 0.227 4 0 "[ . 1 . 2]"
1 86 VAL 1.232 0.107 11 0 "[ . 1 . 2]"
1 87 THR 0.745 0.085 10 0 "[ . 1 . 2]"
1 88 LEU 5.673 0.227 4 0 "[ . 1 . 2]"
1 89 SER 0.164 0.052 16 0 "[ . 1 . 2]"
1 90 GLN 4.784 0.186 12 0 "[ . 1 . 2]"
1 91 PRO 2.829 0.406 12 0 "[ . 1 . 2]"
1 92 LYS 1.121 0.123 15 0 "[ . 1 . 2]"
1 93 ILE 0.265 0.055 3 0 "[ . 1 . 2]"
1 94 VAL 0.565 0.565 3 1 "[ + . 1 . 2]"
1 95 LYS 0.916 0.565 3 1 "[ + . 1 . 2]"
1 96 TRP 8.243 0.327 3 0 "[ . 1 . 2]"
1 97 ASP 3.186 0.310 11 0 "[ . 1 . 2]"
1 98 ARG 4.075 0.310 11 0 "[ . 1 . 2]"
1 99 ASP 2.850 0.268 11 0 "[ . 1 . 2]"
1 100 MET 0.658 0.212 15 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 2 ILE HA 1 2 ILE HB . . 2.935 2.703 2.344 3.028 0.094 1 0 "[ . 1 . 2]" 1
2 1 2 ILE HA 1 2 ILE MD . . 4.222 2.880 2.104 3.642 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE HA 1 2 ILE QG . . 3.982 2.924 2.323 3.572 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE HA 1 2 ILE MG . . 3.567 2.654 2.289 3.248 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE HA 1 3 GLN H . . 2.913 2.671 2.137 3.423 0.511 11 1 "[ . 1+ . 2]" 1
6 1 2 ILE MG 1 3 GLN H . . 5.455 3.803 2.272 4.472 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN H 1 3 GLN HG2 . . 4.375 3.663 2.339 4.448 0.074 9 0 "[ . 1 . 2]" 1
8 1 3 GLN H 1 3 GLN QG . . 4.025 2.909 2.070 3.903 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN H 1 3 GLN HG3 . . 4.375 3.190 2.106 4.321 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN HA 1 4 ARG H . . 2.749 2.313 2.128 2.596 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLN QB 1 87 THR MG . . 3.720 2.387 2.149 2.762 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLN QG 1 4 ARG H . . 6.415 4.290 2.062 4.725 . 0 0 "[ . 1 . 2]" 1
13 1 4 ARG H 1 32 HIS H . . 3.676 3.494 2.904 3.949 0.272 18 0 "[ . 1 . 2]" 1
14 1 4 ARG HA 1 4 ARG HB2 . . 2.938 2.954 2.434 3.021 0.083 14 0 "[ . 1 . 2]" 1
15 1 4 ARG HA 1 4 ARG QB . . 2.765 2.406 2.337 2.546 . 0 0 "[ . 1 . 2]" 1
16 1 4 ARG HA 1 4 ARG HB3 . . 2.838 2.590 2.436 3.011 0.173 19 0 "[ . 1 . 2]" 1
17 1 4 ARG HA 1 4 ARG QD . . 4.756 3.564 2.151 4.200 . 0 0 "[ . 1 . 2]" 1
18 1 4 ARG HA 1 4 ARG QG . . 3.600 2.371 2.225 2.720 . 0 0 "[ . 1 . 2]" 1
19 1 4 ARG HA 1 5 THR H . . 2.727 2.186 2.099 2.278 . 0 0 "[ . 1 . 2]" 1
20 1 5 THR H 1 5 THR HB . . 3.316 2.634 2.366 3.482 0.166 5 0 "[ . 1 . 2]" 1
21 1 5 THR H 1 5 THR MG . . 4.505 3.276 2.041 3.769 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR HA 1 5 THR HB . . 3.100 2.884 2.414 3.052 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR HA 1 5 THR MG . . 3.600 2.532 2.275 3.250 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR HA 1 6 PRO HD2 . . 2.553 2.276 2.206 2.394 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR HA 1 6 PRO HD3 . . 2.553 2.479 2.337 2.581 0.028 6 0 "[ . 1 . 2]" 1
26 1 5 THR HA 1 87 THR MG . . 4.040 3.089 2.494 3.516 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR HA 1 88 LEU MD1 . . 4.200 3.512 3.207 3.618 . 0 0 "[ . 1 . 2]" 1
28 1 6 PRO HA 1 7 LYS H . . 2.793 2.172 2.119 2.203 . 0 0 "[ . 1 . 2]" 1
29 1 6 PRO HA 1 31 PHE HA . . 4.020 3.941 3.633 4.195 0.175 5 0 "[ . 1 . 2]" 1
30 1 6 PRO HA 1 31 PHE HB2 . . 3.593 3.751 3.649 3.810 0.217 17 0 "[ . 1 . 2]" 1
31 1 6 PRO HA 1 31 PHE QB . . 3.011 2.072 2.039 2.132 . 0 0 "[ . 1 . 2]" 1
32 1 6 PRO HA 1 31 PHE HB3 . . 3.393 2.082 2.050 2.145 . 0 0 "[ . 1 . 2]" 1
33 1 6 PRO HA 1 31 PHE QD . . 4.247 2.380 2.248 2.878 . 0 0 "[ . 1 . 2]" 1
34 1 6 PRO QG 1 36 ILE MD . . 4.985 3.346 2.987 3.464 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 7 LYS HB2 . . 3.060 2.582 2.293 2.694 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS H 1 7 LYS HB3 . . 3.850 2.594 2.465 3.594 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS H 1 7 LYS HG2 . . 4.516 4.381 4.030 4.429 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS H 1 7 LYS QG . . 4.278 3.899 2.792 3.974 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS H 1 7 LYS HG3 . . 4.516 4.406 2.847 4.533 0.017 1 0 "[ . 1 . 2]" 1
40 1 7 LYS H 1 29 SER H . . 3.247 3.173 2.955 3.335 0.088 13 0 "[ . 1 . 2]" 1
41 1 7 LYS HA 1 7 LYS HB2 . . 2.560 2.554 2.506 2.958 0.398 15 0 "[ . 1 . 2]" 1
42 1 7 LYS HA 1 7 LYS HG2 . . 2.618 2.675 2.399 2.759 0.141 16 0 "[ . 1 . 2]" 1
43 1 7 LYS HA 1 7 LYS HG3 . . 2.618 2.557 2.445 2.729 0.111 15 0 "[ . 1 . 2]" 1
44 1 7 LYS HA 1 8 ILE H . . 2.989 2.184 2.135 2.221 . 0 0 "[ . 1 . 2]" 1
45 1 8 ILE H 1 8 ILE HB . . 3.611 3.027 2.346 3.659 0.048 15 0 "[ . 1 . 2]" 1
46 1 8 ILE HA 1 8 ILE HB . . 2.945 2.726 2.313 3.028 0.082 11 0 "[ . 1 . 2]" 1
47 1 8 ILE HA 1 8 ILE QG . . 3.775 3.022 2.481 3.556 . 0 0 "[ . 1 . 2]" 1
48 1 8 ILE HA 1 8 ILE MG . . 2.924 2.335 2.226 2.425 . 0 0 "[ . 1 . 2]" 1
49 1 8 ILE HA 1 28 VAL HA . . 2.793 2.465 2.322 2.634 . 0 0 "[ . 1 . 2]" 1
50 1 9 GLN H 1 9 GLN HB2 . . 3.560 3.647 3.493 3.706 0.146 8 0 "[ . 1 . 2]" 1
51 1 9 GLN H 1 9 GLN QB . . 3.331 3.175 3.126 3.228 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLN H 1 9 GLN HB3 . . 3.560 3.495 3.410 3.593 0.033 19 0 "[ . 1 . 2]" 1
53 1 9 GLN H 1 9 GLN QE . . 4.865 3.303 2.810 4.404 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLN H 1 9 GLN QG . . 3.916 2.456 1.977 2.653 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLN H 1 27 TYR H . . 3.831 3.726 3.312 3.972 0.141 2 0 "[ . 1 . 2]" 1
56 1 9 GLN H 1 27 TYR HB2 . . 4.931 5.180 5.046 5.265 0.334 4 0 "[ . 1 . 2]" 1
57 1 9 GLN H 1 27 TYR QB . . 4.604 3.547 3.410 3.644 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLN H 1 27 TYR HB3 . . 4.931 3.612 3.467 3.715 . 0 0 "[ . 1 . 2]" 1
59 1 9 GLN H 1 28 VAL HA . . 3.213 3.286 3.211 3.364 0.151 18 0 "[ . 1 . 2]" 1
60 1 9 GLN QE 1 27 TYR QE . . 3.690 3.130 2.113 3.408 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLN QG 1 27 TYR QE . . 4.970 3.419 3.094 4.218 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL H 1 10 VAL HA . . 2.967 2.931 2.873 2.985 0.018 4 0 "[ . 1 . 2]" 1
63 1 10 VAL H 1 10 VAL HB . . 3.229 2.532 2.439 2.699 . 0 0 "[ . 1 . 2]" 1
64 1 10 VAL HA 1 10 VAL HB . . 3.002 3.037 3.025 3.043 0.041 14 0 "[ . 1 . 2]" 1
65 1 10 VAL HA 1 26 CYS HA . . 2.705 2.328 2.174 2.610 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL HA 1 27 TYR H . . 4.004 2.820 2.496 3.199 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL HB 1 96 TRP HD1 . . 3.895 3.694 2.763 4.016 0.121 19 0 "[ . 1 . 2]" 1
68 1 10 VAL QG 1 11 TYR H . . 6.480 2.970 2.547 3.416 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL QG 1 24 LEU QD . . 7.810 2.422 2.035 2.916 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL QG 1 81 CYS QB . . 7.370 2.743 2.226 3.165 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL QG 1 96 TRP HB3 . . 6.510 3.604 3.337 4.131 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL QG 1 96 TRP HD1 . . 6.120 2.343 2.115 2.591 . 0 0 "[ . 1 . 2]" 1
73 1 11 TYR H 1 11 TYR QD . . 4.069 2.904 2.519 3.289 . 0 0 "[ . 1 . 2]" 1
74 1 11 TYR H 1 12 SER H . . 5.455 4.519 4.467 4.566 . 0 0 "[ . 1 . 2]" 1
75 1 11 TYR H 1 25 ASN H . . 3.715 3.584 3.187 3.821 0.107 1 0 "[ . 1 . 2]" 1
76 1 11 TYR H 1 26 CYS HA . . 3.665 3.683 3.212 3.898 0.233 5 0 "[ . 1 . 2]" 1
77 1 11 TYR HA 1 11 TYR HB2 . . 3.007 2.675 2.365 3.009 0.001 7 0 "[ . 1 . 2]" 1
78 1 11 TYR HA 1 11 TYR HB3 . . 2.607 2.334 2.264 2.392 . 0 0 "[ . 1 . 2]" 1
79 1 11 TYR HA 1 11 TYR QD . . 3.645 3.180 2.389 3.774 0.128 13 0 "[ . 1 . 2]" 1
80 1 11 TYR QB 1 12 SER H . . 4.658 2.537 2.350 2.707 . 0 0 "[ . 1 . 2]" 1
81 1 11 TYR QD 1 12 SER H . . 4.331 3.857 3.203 4.178 . 0 0 "[ . 1 . 2]" 1
82 1 11 TYR QE 1 27 TYR QB . . 3.807 2.281 2.080 2.570 . 0 0 "[ . 1 . 2]" 1
83 1 12 SER H 1 96 TRP HE1 . . 4.344 3.291 2.619 4.404 0.060 17 0 "[ . 1 . 2]" 1
84 1 12 SER HA 1 13 ARG H . . 3.011 2.295 2.208 2.549 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HA 1 24 LEU HA . . 3.522 2.799 2.349 3.264 . 0 0 "[ . 1 . 2]" 1
86 1 12 SER HA 1 24 LEU QD . . 6.190 3.218 2.219 3.909 . 0 0 "[ . 1 . 2]" 1
87 1 12 SER HA 1 25 ASN H . . 5.455 3.497 2.905 4.041 . 0 0 "[ . 1 . 2]" 1
88 1 12 SER HA 1 96 TRP HE1 . . 3.515 3.698 3.547 3.841 0.327 3 0 "[ . 1 . 2]" 1
89 1 12 SER QB 1 71 PHE HZ . . 4.580 3.475 2.153 4.163 . 0 0 "[ . 1 . 2]" 1
90 1 12 SER QB 1 96 TRP HZ2 . . 4.800 2.389 2.193 2.704 . 0 0 "[ . 1 . 2]" 1
91 1 12 SER HB2 1 71 PHE HZ . . 5.000 3.892 3.192 5.115 0.115 17 0 "[ . 1 . 2]" 1
92 1 12 SER HB3 1 71 PHE HZ . . 5.000 4.096 2.177 5.055 0.055 15 0 "[ . 1 . 2]" 1
93 1 13 ARG H 1 13 ARG HB2 . . 3.210 2.364 2.158 2.526 . 0 0 "[ . 1 . 2]" 1
94 1 13 ARG H 1 14 HIS H . . 3.545 2.631 2.275 2.862 . 0 0 "[ . 1 . 2]" 1
95 1 13 ARG H 1 23 PHE H . . 4.716 4.006 3.206 4.776 0.059 7 0 "[ . 1 . 2]" 1
96 1 13 ARG HA 1 13 ARG HB3 . . 2.950 2.757 2.441 3.029 0.079 9 0 "[ . 1 . 2]" 1
97 1 13 ARG HA 1 13 ARG QG . . 3.905 2.409 2.186 2.752 . 0 0 "[ . 1 . 2]" 1
98 1 13 ARG HB3 1 14 HIS H . . 4.040 2.743 2.071 3.480 . 0 0 "[ . 1 . 2]" 1
99 1 14 HIS H 1 14 HIS HB2 . . 3.730 2.448 2.207 2.740 . 0 0 "[ . 1 . 2]" 1
100 1 14 HIS HA 1 14 HIS HB2 . . 3.050 3.029 3.018 3.044 . 0 0 "[ . 1 . 2]" 1
101 1 14 HIS HA 1 14 HIS HB3 . . 2.570 2.469 2.385 2.584 0.014 5 0 "[ . 1 . 2]" 1
102 1 14 HIS HA 1 15 PRO HD2 . . 2.773 2.652 2.528 2.772 . 0 0 "[ . 1 . 2]" 1
103 1 14 HIS HA 1 15 PRO HD3 . . 2.673 2.327 2.163 2.555 . 0 0 "[ . 1 . 2]" 1
104 1 14 HIS HB3 1 14 HIS HD2 . . 3.640 3.256 2.668 3.837 0.197 17 0 "[ . 1 . 2]" 1
105 1 14 HIS HB3 1 15 PRO HD2 . . 3.350 2.238 2.110 2.504 . 0 0 "[ . 1 . 2]" 1
106 1 14 HIS HB3 1 15 PRO QD . . 3.070 2.211 2.093 2.449 . 0 0 "[ . 1 . 2]" 1
107 1 14 HIS HB3 1 15 PRO HD3 . . 3.350 3.464 3.371 3.548 0.198 11 0 "[ . 1 . 2]" 1
108 1 14 HIS HD2 1 22 ASN HA . . 3.578 2.859 2.443 3.550 . 0 0 "[ . 1 . 2]" 1
109 1 15 PRO HA 1 16 ALA H . . 2.738 2.395 2.163 2.785 0.047 14 0 "[ . 1 . 2]" 1
110 1 16 ALA HA 1 17 GLU H . . 2.760 2.227 2.094 2.697 . 0 0 "[ . 1 . 2]" 1
111 1 16 ALA HA 1 22 ASN HD21 . . 3.920 3.322 2.072 3.983 0.063 20 0 "[ . 1 . 2]" 1
112 1 16 ALA HA 1 22 ASN HD22 . . 3.920 2.980 2.345 3.806 . 0 0 "[ . 1 . 2]" 1
113 1 16 ALA MB 1 17 GLU H . . 3.764 2.868 2.033 3.477 . 0 0 "[ . 1 . 2]" 1
114 1 16 ALA MB 1 73 PRO QB . . 5.240 3.327 2.587 3.872 . 0 0 "[ . 1 . 2]" 1
115 1 16 ALA MB 1 73 PRO QD . . 5.880 3.994 3.864 4.327 . 0 0 "[ . 1 . 2]" 1
116 1 16 ALA MB 1 96 TRP HH2 . . 3.710 2.269 2.068 2.528 . 0 0 "[ . 1 . 2]" 1
117 1 16 ALA MB 1 96 TRP HZ2 . . 3.730 2.796 2.412 3.165 . 0 0 "[ . 1 . 2]" 1
118 1 17 GLU HA 1 18 ASN H . . 2.782 2.273 2.119 2.965 0.183 13 0 "[ . 1 . 2]" 1
119 1 18 ASN H 1 18 ASN HB2 . . 3.404 3.009 2.326 3.575 0.171 5 0 "[ . 1 . 2]" 1
120 1 18 ASN H 1 18 ASN HB3 . . 3.404 2.765 2.269 3.548 0.145 7 0 "[ . 1 . 2]" 1
121 1 18 ASN HA 1 19 GLY H . . 2.629 2.201 2.147 2.391 . 0 0 "[ . 1 . 2]" 1
122 1 19 GLY H 1 72 THR MG . . 4.260 3.127 2.034 3.560 . 0 0 "[ . 1 . 2]" 1
123 1 20 LYS H 1 20 LYS HB2 . . 3.260 2.819 1.938 3.311 0.051 10 0 "[ . 1 . 2]" 1
124 1 20 LYS H 1 20 LYS HB3 . . 3.130 2.614 2.303 3.186 0.056 20 0 "[ . 1 . 2]" 1
125 1 20 LYS H 1 72 THR MG . . 4.490 3.304 2.566 3.781 . 0 0 "[ . 1 . 2]" 1
126 1 20 LYS HA 1 20 LYS HB2 . . 3.020 2.459 2.389 2.829 . 0 0 "[ . 1 . 2]" 1
127 1 20 LYS HA 1 20 LYS HD2 . . 4.178 3.707 2.499 4.444 0.266 5 0 "[ . 1 . 2]" 1
128 1 20 LYS HA 1 20 LYS QD . . 4.004 3.215 2.419 3.811 . 0 0 "[ . 1 . 2]" 1
129 1 20 LYS HA 1 20 LYS HD3 . . 4.178 3.746 3.106 4.363 0.185 2 0 "[ . 1 . 2]" 1
130 1 20 LYS HA 1 21 SER H . . 2.329 2.017 1.946 2.144 . 0 0 "[ . 1 . 2]" 1
131 1 20 LYS HA 1 72 THR MG . . 6.545 3.567 2.834 4.512 . 0 0 "[ . 1 . 2]" 1
132 1 20 LYS HB2 1 20 LYS QD . . 3.710 2.934 2.258 3.549 . 0 0 "[ . 1 . 2]" 1
133 1 20 LYS HB2 1 21 SER H . . 3.990 4.225 4.094 4.400 0.410 20 0 "[ . 1 . 2]" 1
134 1 20 LYS HB3 1 21 SER H . . 3.630 4.099 3.915 4.206 0.576 16 8 "[* . * - * **+ *2]" 1
135 1 21 SER H 1 21 SER HB3 . . 3.150 2.819 2.564 3.396 0.246 11 0 "[ . 1 . 2]" 1
136 1 21 SER HA 1 21 SER HB2 . . 2.810 2.548 2.459 3.000 0.190 8 0 "[ . 1 . 2]" 1
137 1 21 SER HA 1 21 SER HB3 . . 2.860 2.480 2.217 2.990 0.130 20 0 "[ . 1 . 2]" 1
138 1 21 SER HA 1 22 ASN H . . 2.651 2.166 2.070 2.314 . 0 0 "[ . 1 . 2]" 1
139 1 21 SER HA 1 72 THR HA . . 3.589 2.596 2.287 2.992 . 0 0 "[ . 1 . 2]" 1
140 1 21 SER HA 1 72 THR HB . . 4.116 4.271 4.221 4.328 0.211 8 0 "[ . 1 . 2]" 1
141 1 21 SER HA 1 72 THR MG . . 3.633 2.680 2.318 2.882 . 0 0 "[ . 1 . 2]" 1
142 1 21 SER HB2 1 22 ASN H . . 4.790 3.649 3.124 4.359 . 0 0 "[ . 1 . 2]" 1
143 1 21 SER HB3 1 22 ASN H . . 3.720 3.944 3.690 4.037 0.317 2 0 "[ . 1 . 2]" 1
144 1 22 ASN H 1 23 PHE H . . 4.255 4.209 4.085 4.427 0.172 8 0 "[ . 1 . 2]" 1
145 1 22 ASN H 1 71 PHE H . . 4.200 4.231 3.992 4.331 0.131 18 0 "[ . 1 . 2]" 1
146 1 22 ASN H 1 72 THR HA . . 3.489 2.975 2.705 3.247 . 0 0 "[ . 1 . 2]" 1
147 1 22 ASN HA 1 23 PHE H . . 3.382 3.034 2.721 3.173 . 0 0 "[ . 1 . 2]" 1
148 1 22 ASN QB 1 71 PHE QD . . 4.069 2.966 2.301 3.252 . 0 0 "[ . 1 . 2]" 1
149 1 23 PHE H 1 23 PHE QD . . 4.527 4.318 3.703 4.527 . 0 0 "[ . 1 . 2]" 1
150 1 23 PHE H 1 71 PHE QD . . 4.698 3.122 2.756 3.500 . 0 0 "[ . 1 . 2]" 1
151 1 23 PHE HA 1 23 PHE QD . . 3.764 2.801 2.639 2.998 . 0 0 "[ . 1 . 2]" 1
152 1 23 PHE HA 1 70 GLU HA . . 2.340 2.347 2.239 2.476 0.136 15 0 "[ . 1 . 2]" 1
153 1 23 PHE HA 1 71 PHE H . . 3.436 2.656 2.390 2.996 . 0 0 "[ . 1 . 2]" 1
154 1 23 PHE QB 1 24 LEU H . . 3.996 3.535 3.335 3.667 . 0 0 "[ . 1 . 2]" 1
155 1 23 PHE HB2 1 24 LEU H . . 4.569 4.509 4.441 4.569 . 0 0 "[ . 1 . 2]" 1
156 1 23 PHE HB3 1 24 LEU H . . 4.069 3.696 3.447 3.873 . 0 0 "[ . 1 . 2]" 1
157 1 23 PHE QD 1 24 LEU H . . 4.265 3.093 2.611 3.905 . 0 0 "[ . 1 . 2]" 1
158 1 23 PHE QD 1 70 GLU HA . . 4.190 3.491 3.197 3.783 . 0 0 "[ . 1 . 2]" 1
159 1 23 PHE QE 1 70 GLU QB . . 5.300 3.401 2.622 4.414 . 0 0 "[ . 1 . 2]" 1
160 1 23 PHE QE 1 70 GLU QG . . 5.130 3.390 2.571 4.200 . 0 0 "[ . 1 . 2]" 1
161 1 23 PHE HZ 1 70 GLU QB . . 4.980 3.709 2.871 4.664 . 0 0 "[ . 1 . 2]" 1
162 1 23 PHE HZ 1 70 GLU QG . . 4.820 3.403 2.477 4.101 . 0 0 "[ . 1 . 2]" 1
163 1 24 LEU H 1 24 LEU HB2 . . 3.750 2.866 2.611 3.015 . 0 0 "[ . 1 . 2]" 1
164 1 24 LEU H 1 69 THR H . . 3.622 3.361 3.227 3.530 . 0 0 "[ . 1 . 2]" 1
165 1 24 LEU H 1 70 GLU HA . . 3.556 3.529 3.351 3.654 0.097 7 0 "[ . 1 . 2]" 1
166 1 24 LEU H 1 71 PHE QD . . 4.142 2.417 2.146 3.035 . 0 0 "[ . 1 . 2]" 1
167 1 24 LEU HA 1 24 LEU HB3 . . 2.960 3.030 3.003 3.046 0.086 9 0 "[ . 1 . 2]" 1
168 1 24 LEU HA 1 24 LEU MD1 . . 4.745 2.157 2.093 2.225 . 0 0 "[ . 1 . 2]" 1
169 1 24 LEU HA 1 24 LEU QD . . 3.655 2.146 2.084 2.212 . 0 0 "[ . 1 . 2]" 1
170 1 24 LEU HA 1 24 LEU MD2 . . 4.745 3.856 3.783 3.918 . 0 0 "[ . 1 . 2]" 1
171 1 24 LEU HA 1 24 LEU HG . . 3.153 3.188 2.597 3.273 0.120 1 0 "[ . 1 . 2]" 1
172 1 24 LEU HB2 1 24 LEU MD1 . . 3.370 2.299 2.204 2.540 . 0 0 "[ . 1 . 2]" 1
173 1 24 LEU HB2 1 24 LEU QD . . 2.910 2.045 2.012 2.137 . 0 0 "[ . 1 . 2]" 1
174 1 24 LEU HB2 1 24 LEU MD2 . . 3.370 2.298 2.256 2.447 . 0 0 "[ . 1 . 2]" 1
175 1 24 LEU HB2 1 25 ASN H . . 4.290 4.219 4.077 4.315 0.025 18 0 "[ . 1 . 2]" 1
176 1 24 LEU HB2 1 71 PHE QD . . 3.690 2.491 2.355 3.077 . 0 0 "[ . 1 . 2]" 1
177 1 24 LEU HB3 1 24 LEU QD . . 3.140 2.249 2.217 2.304 . 0 0 "[ . 1 . 2]" 1
178 1 24 LEU HB3 1 71 PHE QD . . 4.470 3.192 2.882 4.042 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU QD 1 25 ASN H . . 5.880 2.346 2.030 3.211 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU QD 1 40 LEU QD . . 7.091 2.239 1.964 2.692 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU QD 1 69 THR MG . . 5.487 2.551 2.209 3.185 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU QD 1 71 PHE QD . . 4.549 3.252 2.779 3.365 . 0 0 "[ . 1 . 2]" 1
183 1 24 LEU QD 1 71 PHE HZ . . 6.033 4.059 2.445 4.367 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU QD 1 79 TYR HB2 . . 5.350 2.719 2.306 3.508 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU QD 1 79 TYR HB3 . . 5.090 2.232 2.063 2.686 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU QD 1 79 TYR QD . . 5.727 2.592 2.154 3.101 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU QD 1 79 TYR QE . . 7.113 4.111 3.658 4.475 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU QD 1 96 TRP HB2 . . 6.120 2.343 2.129 2.690 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU QD 1 96 TRP HB3 . . 6.390 2.949 2.655 3.789 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU QD 1 96 TRP HD1 . . 6.087 3.146 2.744 3.482 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU MD1 1 71 PHE QD . . 5.193 3.910 3.082 4.045 . 0 0 "[ . 1 . 2]" 1
192 1 24 LEU MD2 1 71 PHE QD . . 5.193 3.507 2.843 3.673 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU HG 1 25 ASN H . . 4.025 3.090 2.438 3.496 . 0 0 "[ . 1 . 2]" 1
194 1 25 ASN H 1 25 ASN HB2 . . 3.710 2.550 2.395 2.763 . 0 0 "[ . 1 . 2]" 1
195 1 25 ASN HA 1 25 ASN HB2 . . 2.930 3.021 3.011 3.033 0.103 19 0 "[ . 1 . 2]" 1
196 1 25 ASN HA 1 26 CYS H . . 2.771 2.241 2.170 2.271 . 0 0 "[ . 1 . 2]" 1
197 1 25 ASN HA 1 68 TYR HA . . 2.651 2.466 2.333 2.699 0.048 10 0 "[ . 1 . 2]" 1
198 1 25 ASN HA 1 69 THR H . . 3.796 3.779 3.594 3.969 0.173 19 0 "[ . 1 . 2]" 1
199 1 25 ASN HB3 1 26 CYS H . . 3.820 3.934 3.880 4.022 0.202 20 0 "[ . 1 . 2]" 1
200 1 26 CYS H 1 26 CYS HB3 . . 4.030 3.686 3.652 3.730 . 0 0 "[ . 1 . 2]" 1
201 1 26 CYS H 1 66 LEU QD . . 6.190 3.664 3.454 3.849 . 0 0 "[ . 1 . 2]" 1
202 1 26 CYS H 1 67 TYR H . . 3.796 3.846 3.721 3.901 0.105 6 0 "[ . 1 . 2]" 1
203 1 26 CYS H 1 68 TYR HA . . 4.145 3.110 2.795 3.494 . 0 0 "[ . 1 . 2]" 1
204 1 26 CYS HA 1 26 CYS HB2 . . 3.020 3.028 3.012 3.048 0.028 5 0 "[ . 1 . 2]" 1
205 1 26 CYS HA 1 26 CYS HB3 . . 2.890 2.400 2.326 2.461 . 0 0 "[ . 1 . 2]" 1
206 1 26 CYS HA 1 27 TYR H . . 2.738 2.336 2.213 2.568 . 0 0 "[ . 1 . 2]" 1
207 1 26 CYS HB2 1 28 VAL MG2 . . 4.780 4.053 3.891 4.182 . 0 0 "[ . 1 . 2]" 1
208 1 26 CYS HB2 1 38 VAL MG1 . . 5.100 2.813 2.363 3.415 . 0 0 "[ . 1 . 2]" 1
209 1 26 CYS HB3 1 28 VAL MG2 . . 4.540 3.447 3.170 3.639 . 0 0 "[ . 1 . 2]" 1
210 1 27 TYR H 1 27 TYR QB . . 3.796 2.294 2.137 2.528 . 0 0 "[ . 1 . 2]" 1
211 1 27 TYR HA 1 27 TYR QB . . 2.804 2.359 2.327 2.408 . 0 0 "[ . 1 . 2]" 1
212 1 27 TYR HA 1 27 TYR QD . . 3.120 2.357 2.143 3.298 0.178 16 0 "[ . 1 . 2]" 1
213 1 27 TYR HA 1 66 LEU QD . . 8.258 2.909 2.605 3.175 . 0 0 "[ . 1 . 2]" 1
214 1 27 TYR HA 1 67 TYR H . . 3.262 3.111 2.852 3.361 0.099 10 0 "[ . 1 . 2]" 1
215 1 27 TYR HB2 1 66 LEU MD1 . . 4.380 3.540 3.333 3.699 . 0 0 "[ . 1 . 2]" 1
216 1 27 TYR HB2 1 66 LEU MD2 . . 4.700 2.653 2.372 2.847 . 0 0 "[ . 1 . 2]" 1
217 1 27 TYR QD 1 28 VAL H . . 4.593 2.446 2.183 3.063 . 0 0 "[ . 1 . 2]" 1
218 1 27 TYR QD 1 66 LEU MD1 . . 4.990 3.634 2.279 3.989 . 0 0 "[ . 1 . 2]" 1
219 1 27 TYR QD 1 66 LEU MD2 . . 5.000 3.546 3.065 3.744 . 0 0 "[ . 1 . 2]" 1
220 1 27 TYR QD 1 66 LEU HG . . 4.069 2.607 2.346 2.976 . 0 0 "[ . 1 . 2]" 1
221 1 27 TYR QE 1 66 LEU HA . . 5.000 4.450 4.063 5.607 0.607 16 1 "[ . 1 .+ 2]" 1
222 1 28 VAL H 1 28 VAL MG2 . . 4.720 2.703 2.572 2.807 . 0 0 "[ . 1 . 2]" 1
223 1 28 VAL H 1 65 LEU H . . 3.535 3.640 3.548 3.756 0.222 5 0 "[ . 1 . 2]" 1
224 1 28 VAL H 1 66 LEU HA . . 5.455 3.431 2.985 3.662 . 0 0 "[ . 1 . 2]" 1
225 1 28 VAL HA 1 28 VAL HB . . 3.055 3.052 3.041 3.062 0.008 8 0 "[ . 1 . 2]" 1
226 1 28 VAL HB 1 31 PHE QE . . 4.060 2.387 2.261 2.561 . 0 0 "[ . 1 . 2]" 1
227 1 28 VAL HB 1 38 VAL MG1 . . 5.940 4.877 4.762 5.003 . 0 0 "[ . 1 . 2]" 1
228 1 28 VAL MG1 1 31 PHE QE . . 5.130 2.452 2.283 2.730 . 0 0 "[ . 1 . 2]" 1
229 1 28 VAL MG1 1 36 ILE MD . . 4.410 2.377 2.142 2.636 . 0 0 "[ . 1 . 2]" 1
230 1 28 VAL MG1 1 38 VAL MG1 . . 7.450 4.807 4.518 4.960 . 0 0 "[ . 1 . 2]" 1
231 1 28 VAL MG2 1 31 PHE QD . . 6.740 4.805 4.661 5.004 . 0 0 "[ . 1 . 2]" 1
232 1 28 VAL MG2 1 36 ILE MD . . 5.230 3.075 2.820 3.367 . 0 0 "[ . 1 . 2]" 1
233 1 28 VAL MG2 1 38 VAL MG1 . . 5.780 2.947 2.735 3.139 . 0 0 "[ . 1 . 2]" 1
234 1 28 VAL MG2 1 38 VAL MG2 . . 5.360 2.453 2.188 2.893 . 0 0 "[ . 1 . 2]" 1
235 1 28 VAL MG2 1 65 LEU H . . 5.970 5.090 4.973 5.158 . 0 0 "[ . 1 . 2]" 1
236 1 29 SER HA 1 29 SER HB2 . . 2.740 2.457 2.286 2.513 . 0 0 "[ . 1 . 2]" 1
237 1 29 SER HA 1 29 SER HB3 . . 2.860 2.585 2.473 2.945 0.085 18 0 "[ . 1 . 2]" 1
238 1 29 SER HA 1 30 GLY H . . 3.480 2.577 2.259 2.783 . 0 0 "[ . 1 . 2]" 1
239 1 29 SER HA 1 64 TYR HA . . 2.902 2.875 2.444 3.138 0.236 13 0 "[ . 1 . 2]" 1
240 1 29 SER HA 1 64 TYR HB3 . . 3.220 2.033 1.996 2.133 . 0 0 "[ . 1 . 2]" 1
241 1 29 SER HA 1 64 TYR QD . . 3.995 3.885 3.647 4.050 0.056 16 0 "[ . 1 . 2]" 1
242 1 29 SER HA 1 65 LEU H . . 3.938 3.902 3.443 4.021 0.083 7 0 "[ . 1 . 2]" 1
243 1 29 SER HB2 1 64 TYR HB2 . . 3.740 2.987 2.152 3.561 . 0 0 "[ . 1 . 2]" 1
244 1 29 SER HB2 1 64 TYR QE . . 5.180 4.297 3.790 4.692 . 0 0 "[ . 1 . 2]" 1
245 1 30 GLY H 1 31 PHE H . . 3.469 2.956 2.268 3.181 . 0 0 "[ . 1 . 2]" 1
246 1 30 GLY H 1 64 TYR HA . . 5.455 4.530 3.838 5.115 . 0 0 "[ . 1 . 2]" 1
247 1 31 PHE H 1 63 PHE H . . 4.195 4.288 4.209 4.385 0.190 14 0 "[ . 1 . 2]" 1
248 1 31 PHE HA 1 31 PHE HB2 . . 2.716 2.414 2.372 2.487 . 0 0 "[ . 1 . 2]" 1
249 1 31 PHE HA 1 31 PHE QB . . 2.476 2.139 2.068 2.165 . 0 0 "[ . 1 . 2]" 1
250 1 31 PHE HA 1 31 PHE HB3 . . 2.716 2.391 2.262 2.443 . 0 0 "[ . 1 . 2]" 1
251 1 31 PHE HA 1 31 PHE QD . . 3.620 3.779 3.716 3.800 0.180 6 0 "[ . 1 . 2]" 1
252 1 31 PHE HA 1 32 HIS H . . 2.880 2.434 2.212 2.702 . 0 0 "[ . 1 . 2]" 1
253 1 31 PHE QD 1 36 ILE MD . . 4.429 3.282 2.991 3.553 . 0 0 "[ . 1 . 2]" 1
254 1 31 PHE QD 1 36 ILE MG . . 5.251 3.891 3.538 4.003 . 0 0 "[ . 1 . 2]" 1
255 1 31 PHE QE 1 36 ILE MD . . 3.916 2.981 2.867 3.133 . 0 0 "[ . 1 . 2]" 1
256 1 31 PHE QE 1 36 ILE MG . . 4.091 2.547 2.099 2.789 . 0 0 "[ . 1 . 2]" 1
257 1 31 PHE QE 1 64 TYR HA . . 3.309 2.779 2.567 2.895 . 0 0 "[ . 1 . 2]" 1
258 1 31 PHE HZ 1 36 ILE MD . . 4.691 3.241 3.064 3.509 . 0 0 "[ . 1 . 2]" 1
259 1 31 PHE HZ 1 36 ILE MG . . 3.502 2.471 2.214 2.742 . 0 0 "[ . 1 . 2]" 1
260 1 32 HIS H 1 32 HIS HD2 . . 4.778 4.691 4.332 5.072 0.294 7 0 "[ . 1 . 2]" 1
261 1 32 HIS H 1 85 HIS HE1 . . 3.644 3.429 2.997 3.765 0.121 10 0 "[ . 1 . 2]" 1
262 1 32 HIS HA 1 32 HIS HD2 . . 3.876 3.992 3.068 4.152 0.275 6 0 "[ . 1 . 2]" 1
263 1 32 HIS HA 1 33 PRO HA . . 2.880 2.429 2.216 2.597 . 0 0 "[ . 1 . 2]" 1
264 1 32 HIS HA 1 63 PHE QD . . 4.127 3.544 2.115 4.032 . 0 0 "[ . 1 . 2]" 1
265 1 32 HIS HA 1 63 PHE QE . . 5.222 5.058 4.115 5.423 0.201 18 0 "[ . 1 . 2]" 1
266 1 32 HIS HD2 1 33 PRO HA . . 3.076 3.003 2.147 3.295 0.219 17 0 "[ . 1 . 2]" 1
267 1 33 PRO HA 1 34 SER H . . 3.709 2.983 2.721 3.323 . 0 0 "[ . 1 . 2]" 1
268 1 33 PRO QD 1 85 HIS HE1 . . 5.440 2.604 2.287 3.735 . 0 0 "[ . 1 . 2]" 1
269 1 34 SER H 1 35 ASP H . . 4.091 2.787 2.514 3.318 . 0 0 "[ . 1 . 2]" 1
270 1 34 SER HA 1 34 SER HB2 . . 2.673 2.451 2.357 2.529 . 0 0 "[ . 1 . 2]" 1
271 1 34 SER HA 1 34 SER HB3 . . 2.673 2.500 2.425 2.568 . 0 0 "[ . 1 . 2]" 1
272 1 34 SER HA 1 63 PHE QD . . 4.244 2.676 2.366 3.274 . 0 0 "[ . 1 . 2]" 1
273 1 34 SER HA 1 63 PHE HZ . . 4.229 4.320 4.241 4.572 0.343 18 0 "[ . 1 . 2]" 1
274 1 34 SER QB 1 55 LEU QD . . 6.960 3.113 2.086 3.646 . 0 0 "[ . 1 . 2]" 1
275 1 34 SER QB 1 63 PHE QD . . 4.615 3.654 3.526 3.800 . 0 0 "[ . 1 . 2]" 1
276 1 35 ASP H 1 35 ASP HB2 . . 3.076 2.696 2.533 2.999 . 0 0 "[ . 1 . 2]" 1
277 1 35 ASP H 1 35 ASP QB . . 2.825 2.246 2.159 2.450 . 0 0 "[ . 1 . 2]" 1
278 1 35 ASP H 1 35 ASP HB3 . . 3.076 2.408 2.315 2.613 . 0 0 "[ . 1 . 2]" 1
279 1 35 ASP HA 1 36 ILE H . . 2.498 2.327 2.162 2.471 . 0 0 "[ . 1 . 2]" 1
280 1 36 ILE H 1 36 ILE MD . . 5.755 4.632 4.589 4.664 . 0 0 "[ . 1 . 2]" 1
281 1 36 ILE H 1 36 ILE QG . . 5.051 4.107 4.057 4.160 . 0 0 "[ . 1 . 2]" 1
282 1 36 ILE H 1 36 ILE MG . . 3.447 2.085 2.038 2.150 . 0 0 "[ . 1 . 2]" 1
283 1 36 ILE HA 1 36 ILE MD . . 4.571 3.711 3.633 3.789 . 0 0 "[ . 1 . 2]" 1
284 1 36 ILE HA 1 36 ILE QG . . 3.949 2.417 2.355 2.491 . 0 0 "[ . 1 . 2]" 1
285 1 36 ILE HB 1 36 ILE MD . . 3.295 2.244 2.164 2.296 . 0 0 "[ . 1 . 2]" 1
286 1 36 ILE HB 1 85 HIS HA . . 3.209 2.384 2.250 2.522 . 0 0 "[ . 1 . 2]" 1
287 1 36 ILE HB 1 85 HIS HD2 . . 2.673 2.068 2.017 2.148 . 0 0 "[ . 1 . 2]" 1
288 1 36 ILE MD 1 36 ILE MG . . 3.207 2.019 1.976 2.044 . 0 0 "[ . 1 . 2]" 1
289 1 36 ILE MD 1 37 GLU H . . 5.227 3.924 3.772 4.027 . 0 0 "[ . 1 . 2]" 1
290 1 36 ILE MD 1 38 VAL MG2 . . 5.620 2.788 2.484 2.987 . 0 0 "[ . 1 . 2]" 1
291 1 36 ILE MD 1 85 HIS HA . . 4.313 2.999 2.707 3.164 . 0 0 "[ . 1 . 2]" 1
292 1 36 ILE MD 1 85 HIS HB2 . . 5.455 2.199 2.133 2.396 . 0 0 "[ . 1 . 2]" 1
293 1 36 ILE MD 1 85 HIS QB . . 4.713 2.183 2.120 2.375 . 0 0 "[ . 1 . 2]" 1
294 1 36 ILE MD 1 85 HIS HB3 . . 5.455 3.716 3.630 3.895 . 0 0 "[ . 1 . 2]" 1
295 1 36 ILE MD 1 85 HIS HD2 . . 3.820 2.773 2.491 2.956 . 0 0 "[ . 1 . 2]" 1
296 1 36 ILE QG 1 37 GLU H . . 4.135 2.188 2.037 2.297 . 0 0 "[ . 1 . 2]" 1
297 1 36 ILE QG 1 85 HIS HA . . 4.036 2.220 2.120 2.430 . 0 0 "[ . 1 . 2]" 1
298 1 36 ILE QG 1 85 HIS HD2 . . 3.815 3.853 3.782 3.949 0.135 7 0 "[ . 1 . 2]" 1
299 1 36 ILE MG 1 65 LEU MD1 . . 4.040 2.858 2.562 2.959 . 0 0 "[ . 1 . 2]" 1
300 1 36 ILE MG 1 65 LEU QD . . 3.527 2.213 2.067 2.291 . 0 0 "[ . 1 . 2]" 1
301 1 36 ILE MG 1 65 LEU MD2 . . 3.840 2.310 2.121 2.506 . 0 0 "[ . 1 . 2]" 1
302 1 36 ILE MG 1 85 HIS HD2 . . 4.369 3.307 3.115 3.500 . 0 0 "[ . 1 . 2]" 1
303 1 37 GLU H 1 37 GLU HB2 . . 3.170 2.787 2.655 3.055 . 0 0 "[ . 1 . 2]" 1
304 1 37 GLU H 1 37 GLU HB3 . . 3.620 3.757 3.695 3.825 0.205 4 0 "[ . 1 . 2]" 1
305 1 37 GLU H 1 37 GLU HG2 . . 3.100 3.361 3.303 3.401 0.301 17 0 "[ . 1 . 2]" 1
306 1 37 GLU H 1 37 GLU HG3 . . 3.000 2.489 2.379 2.744 . 0 0 "[ . 1 . 2]" 1
307 1 37 GLU H 1 84 ASN H . . 3.709 3.104 2.813 3.469 . 0 0 "[ . 1 . 2]" 1
308 1 37 GLU H 1 88 LEU QD . . 7.570 5.552 5.459 5.631 . 0 0 "[ . 1 . 2]" 1
309 1 37 GLU HA 1 37 GLU HB3 . . 2.740 2.307 2.226 2.353 . 0 0 "[ . 1 . 2]" 1
310 1 37 GLU HA 1 37 GLU HG2 . . 3.164 2.651 2.525 2.836 . 0 0 "[ . 1 . 2]" 1
311 1 37 GLU HA 1 37 GLU QG . . 2.982 2.565 2.459 2.716 . 0 0 "[ . 1 . 2]" 1
312 1 37 GLU HA 1 37 GLU HG3 . . 3.264 3.422 3.356 3.471 0.207 4 0 "[ . 1 . 2]" 1
313 1 37 GLU HA 1 38 VAL H . . 2.400 2.220 2.177 2.246 . 0 0 "[ . 1 . 2]" 1
314 1 37 GLU HB3 1 37 GLU QG . . 2.670 2.419 2.370 2.453 . 0 0 "[ . 1 . 2]" 1
315 1 38 VAL H 1 38 VAL HB . . 3.502 2.836 2.716 3.001 . 0 0 "[ . 1 . 2]" 1
316 1 38 VAL H 1 38 VAL MG2 . . 4.660 2.976 2.825 3.095 . 0 0 "[ . 1 . 2]" 1
317 1 38 VAL HB 1 67 TYR QD . . 4.244 3.050 2.798 3.429 . 0 0 "[ . 1 . 2]" 1
318 1 38 VAL HB 1 67 TYR QE . . 4.475 2.868 2.620 3.131 . 0 0 "[ . 1 . 2]" 1
319 1 38 VAL MG1 1 39 ASP H . . 4.910 3.865 3.583 4.027 . 0 0 "[ . 1 . 2]" 1
320 1 38 VAL MG1 1 67 TYR QB . . 6.730 2.700 2.300 3.156 . 0 0 "[ . 1 . 2]" 1
321 1 38 VAL MG1 1 67 TYR QD . . 5.070 3.269 2.603 3.782 . 0 0 "[ . 1 . 2]" 1
322 1 38 VAL MG1 1 67 TYR QE . . 6.190 3.521 3.217 3.810 . 0 0 "[ . 1 . 2]" 1
323 1 38 VAL MG1 1 83 VAL HA . . 5.000 3.618 2.964 3.944 . 0 0 "[ . 1 . 2]" 1
324 1 38 VAL MG1 1 83 VAL MG1 . . 6.520 4.108 3.662 4.294 . 0 0 "[ . 1 . 2]" 1
325 1 38 VAL MG1 1 83 VAL MG2 . . 5.340 2.935 2.340 3.286 . 0 0 "[ . 1 . 2]" 1
326 1 38 VAL MG2 1 39 ASP H . . 5.640 4.283 4.169 4.394 . 0 0 "[ . 1 . 2]" 1
327 1 38 VAL MG2 1 65 LEU QD . . 6.420 3.608 3.205 3.724 . 0 0 "[ . 1 . 2]" 1
328 1 38 VAL MG2 1 67 TYR QD . . 5.390 3.709 3.268 3.958 . 0 0 "[ . 1 . 2]" 1
329 1 38 VAL MG2 1 67 TYR QE . . 5.010 2.606 2.122 2.865 . 0 0 "[ . 1 . 2]" 1
330 1 38 VAL MG2 1 83 VAL HA . . 5.070 2.375 2.226 2.577 . 0 0 "[ . 1 . 2]" 1
331 1 38 VAL MG2 1 83 VAL MG2 . . 6.930 3.060 2.746 3.540 . 0 0 "[ . 1 . 2]" 1
332 1 39 ASP H 1 82 ARG H . . 3.720 3.750 3.587 3.855 0.135 3 0 "[ . 1 . 2]" 1
333 1 39 ASP QB 1 41 LEU QD . . 6.349 3.037 2.732 3.286 . 0 0 "[ . 1 . 2]" 1
334 1 39 ASP QB 1 46 ARG QD . . 5.040 3.171 2.357 4.015 . 0 0 "[ . 1 . 2]" 1
335 1 39 ASP HB2 1 41 LEU MD2 . . 4.460 3.458 3.354 3.583 . 0 0 "[ . 1 . 2]" 1
336 1 40 LEU H 1 40 LEU QB . . 3.807 2.418 2.255 2.617 . 0 0 "[ . 1 . 2]" 1
337 1 40 LEU H 1 40 LEU QD . . 4.778 2.301 2.101 2.776 . 0 0 "[ . 1 . 2]" 1
338 1 40 LEU H 1 40 LEU HG . . 3.451 3.437 3.042 3.640 0.190 16 0 "[ . 1 . 2]" 1
339 1 40 LEU H 1 47 ILE H . . 3.862 3.894 3.213 4.043 0.182 6 0 "[ . 1 . 2]" 1
340 1 40 LEU HA 1 40 LEU QB . . 2.760 2.358 2.316 2.454 . 0 0 "[ . 1 . 2]" 1
341 1 40 LEU HA 1 40 LEU HG . . 2.705 2.301 2.146 2.412 . 0 0 "[ . 1 . 2]" 1
342 1 40 LEU HA 1 81 CYS HA . . 3.065 2.485 2.275 2.736 . 0 0 "[ . 1 . 2]" 1
343 1 40 LEU HA 1 82 ARG H . . 3.775 3.263 3.011 3.568 . 0 0 "[ . 1 . 2]" 1
344 1 40 LEU QB 1 40 LEU QD . . 2.847 1.914 1.874 1.971 . 0 0 "[ . 1 . 2]" 1
345 1 40 LEU QD 1 47 ILE MG . . 5.924 3.241 2.941 3.457 . 0 0 "[ . 1 . 2]" 1
346 1 40 LEU QD 1 50 VAL MG1 . . 6.910 2.137 1.916 2.445 . 0 0 "[ . 1 . 2]" 1
347 1 40 LEU QD 1 50 VAL MG2 . . 7.090 2.068 1.941 2.189 . 0 0 "[ . 1 . 2]" 1
348 1 40 LEU QD 1 68 TYR HA . . 5.335 3.212 2.786 3.831 . 0 0 "[ . 1 . 2]" 1
349 1 40 LEU QD 1 69 THR H . . 6.260 3.244 2.904 3.604 . 0 0 "[ . 1 . 2]" 1
350 1 40 LEU QD 1 69 THR HA . . 6.447 4.208 3.984 4.533 . 0 0 "[ . 1 . 2]" 1
351 1 40 LEU QD 1 69 THR HB . . 5.540 2.452 2.199 2.886 . 0 0 "[ . 1 . 2]" 1
352 1 40 LEU QD 1 82 ARG H . . 6.200 4.596 4.262 4.780 . 0 0 "[ . 1 . 2]" 1
353 1 41 LEU H 1 80 ALA H . . 2.989 2.942 2.730 3.131 0.142 1 0 "[ . 1 . 2]" 1
354 1 41 LEU H 1 81 CYS HA . . 3.698 3.428 3.069 3.737 0.039 10 0 "[ . 1 . 2]" 1
355 1 41 LEU HA 1 41 LEU HB2 . . 2.869 2.643 2.591 2.721 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU HA 1 41 LEU QB . . 2.698 2.483 2.450 2.528 . 0 0 "[ . 1 . 2]" 1
357 1 41 LEU HA 1 41 LEU HB3 . . 2.869 3.017 3.002 3.025 0.156 9 0 "[ . 1 . 2]" 1
358 1 41 LEU HA 1 41 LEU MD1 . . 4.385 2.600 2.418 2.718 . 0 0 "[ . 1 . 2]" 1
359 1 41 LEU HA 1 41 LEU QD . . 3.371 2.074 1.997 2.130 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU HA 1 41 LEU MD2 . . 4.385 2.180 2.116 2.240 . 0 0 "[ . 1 . 2]" 1
361 1 41 LEU HA 1 42 LYS H . . 3.055 2.272 2.217 2.337 . 0 0 "[ . 1 . 2]" 1
362 1 41 LEU HA 1 46 ARG HA . . 2.662 2.501 2.229 2.765 0.103 14 0 "[ . 1 . 2]" 1
363 1 41 LEU HB2 1 41 LEU HG . . 2.585 2.411 2.336 2.452 . 0 0 "[ . 1 . 2]" 1
364 1 41 LEU HB3 1 41 LEU HG . . 2.585 2.387 2.368 2.417 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU QD 1 42 LYS H . . 3.720 2.541 2.386 2.644 . 0 0 "[ . 1 . 2]" 1
366 1 41 LEU QD 1 46 ARG H . . 6.655 3.352 3.083 3.951 . 0 0 "[ . 1 . 2]" 1
367 1 41 LEU QD 1 46 ARG HA . . 4.680 2.190 2.060 2.721 . 0 0 "[ . 1 . 2]" 1
368 1 41 LEU QD 1 46 ARG QD . . 6.349 3.520 2.923 3.712 . 0 0 "[ . 1 . 2]" 1
369 1 41 LEU QD 1 46 ARG QG . . 6.295 2.987 2.036 3.789 . 0 0 "[ . 1 . 2]" 1
370 1 41 LEU MD1 1 42 LYS H . . 4.331 2.612 2.432 2.748 . 0 0 "[ . 1 . 2]" 1
371 1 41 LEU MD2 1 42 LYS H . . 4.431 3.495 3.415 3.655 . 0 0 "[ . 1 . 2]" 1
372 1 42 LYS H 1 42 LYS HB2 . . 3.360 2.452 2.335 2.689 . 0 0 "[ . 1 . 2]" 1
373 1 42 LYS H 1 42 LYS QB . . 3.142 2.410 2.303 2.625 . 0 0 "[ . 1 . 2]" 1
374 1 42 LYS H 1 42 LYS HB3 . . 3.560 3.556 3.458 3.667 0.107 14 0 "[ . 1 . 2]" 1
375 1 42 LYS H 1 42 LYS HD2 . . 3.560 3.846 2.389 4.131 0.571 10 3 "[ .* +- . 2]" 1
376 1 42 LYS H 1 42 LYS HD3 . . 3.360 2.871 2.128 3.860 0.500 14 1 "[ . 1 +. 2]" 1
377 1 42 LYS H 1 42 LYS QE . . 4.267 3.898 1.909 4.152 . 0 0 "[ . 1 . 2]" 1
378 1 42 LYS H 1 42 LYS QG . . 3.862 2.352 1.937 3.202 . 0 0 "[ . 1 . 2]" 1
379 1 42 LYS H 1 45 GLU H . . 3.800 3.056 2.602 3.986 0.186 20 0 "[ . 1 . 2]" 1
380 1 42 LYS HA 1 42 LYS HG2 . . 3.220 2.962 2.644 3.464 0.244 20 0 "[ . 1 . 2]" 1
381 1 42 LYS HA 1 42 LYS QG . . 2.815 2.432 2.249 2.558 . 0 0 "[ . 1 . 2]" 1
382 1 42 LYS HA 1 42 LYS HG3 . . 3.120 2.669 2.287 2.960 . 0 0 "[ . 1 . 2]" 1
383 1 42 LYS HA 1 79 TYR HA . . 2.804 2.066 2.005 2.123 . 0 0 "[ . 1 . 2]" 1
384 1 42 LYS HA 1 79 TYR QD . . 4.109 4.072 3.527 4.244 0.135 3 0 "[ . 1 . 2]" 1
385 1 42 LYS HA 1 80 ALA H . . 3.360 3.132 2.655 3.463 0.103 8 0 "[ . 1 . 2]" 1
386 1 42 LYS QB 1 43 ASN H . . 6.615 1.816 1.778 1.886 . 0 0 "[ . 1 . 2]" 1
387 1 42 LYS QB 1 79 TYR QD . . 5.291 4.065 3.618 4.294 . 0 0 "[ . 1 . 2]" 1
388 1 42 LYS QB 1 79 TYR QE . . 4.680 4.016 3.654 4.260 . 0 0 "[ . 1 . 2]" 1
389 1 42 LYS QD 1 42 LYS QE . . 2.422 2.057 1.985 2.114 . 0 0 "[ . 1 . 2]" 1
390 1 42 LYS QD 1 43 ASN QD . . 5.830 4.321 3.572 4.683 . 0 0 "[ . 1 . 2]" 1
391 1 42 LYS QD 1 79 TYR QD . . 5.062 4.000 3.753 4.317 . 0 0 "[ . 1 . 2]" 1
392 1 42 LYS QD 1 79 TYR QE . . 4.156 2.904 2.620 3.577 . 0 0 "[ . 1 . 2]" 1
393 1 42 LYS QG 1 43 ASN H . . 4.931 3.766 3.673 3.876 . 0 0 "[ . 1 . 2]" 1
394 1 42 LYS QG 1 79 TYR QE . . 4.898 2.871 2.542 3.054 . 0 0 "[ . 1 . 2]" 1
395 1 42 LYS HG2 1 43 ASN H . . 5.455 4.095 3.993 4.244 . 0 0 "[ . 1 . 2]" 1
396 1 42 LYS HG3 1 43 ASN H . . 5.455 4.398 4.233 4.499 . 0 0 "[ . 1 . 2]" 1
397 1 43 ASN H 1 43 ASN HB3 . . 4.190 2.594 2.412 2.893 . 0 0 "[ . 1 . 2]" 1
398 1 43 ASN H 1 44 GLY H . . 3.611 2.602 2.512 2.712 . 0 0 "[ . 1 . 2]" 1
399 1 43 ASN H 1 78 GLU H . . 4.015 3.931 2.829 4.151 0.136 18 0 "[ . 1 . 2]" 1
400 1 43 ASN H 1 79 TYR HA . . 4.711 4.813 4.540 4.977 0.266 13 0 "[ . 1 . 2]" 1
401 1 43 ASN HA 1 43 ASN HB2 . . 2.830 2.473 2.360 2.646 . 0 0 "[ . 1 . 2]" 1
402 1 43 ASN HA 1 43 ASN HB3 . . 2.680 2.484 2.315 2.591 . 0 0 "[ . 1 . 2]" 1
403 1 43 ASN HB3 1 44 GLY H . . 4.140 4.013 3.841 4.223 0.083 4 0 "[ . 1 . 2]" 1
404 1 43 ASN QD 1 45 GLU H . . 3.938 3.616 3.305 3.717 . 0 0 "[ . 1 . 2]" 1
405 1 45 GLU H 1 45 GLU HB2 . . 3.262 3.063 2.272 3.339 0.077 18 0 "[ . 1 . 2]" 1
406 1 45 GLU H 1 45 GLU QB . . 2.978 2.497 2.224 2.671 . 0 0 "[ . 1 . 2]" 1
407 1 45 GLU H 1 45 GLU HB3 . . 3.262 2.786 2.398 3.466 0.204 20 0 "[ . 1 . 2]" 1
408 1 45 GLU H 1 45 GLU QG . . 4.658 3.776 2.100 4.121 . 0 0 "[ . 1 . 2]" 1
409 1 45 GLU HA 1 45 GLU QG . . 3.818 2.510 2.379 3.062 . 0 0 "[ . 1 . 2]" 1
410 1 45 GLU HA 1 46 ARG H . . 2.705 2.220 2.121 2.507 . 0 0 "[ . 1 . 2]" 1
411 1 46 ARG H 1 46 ARG QB . . 3.775 2.436 2.170 2.831 . 0 0 "[ . 1 . 2]" 1
412 1 46 ARG HA 1 46 ARG QB . . 2.760 2.284 2.121 2.472 . 0 0 "[ . 1 . 2]" 1
413 1 46 ARG HA 1 46 ARG QG . . 3.764 2.731 2.279 3.393 . 0 0 "[ . 1 . 2]" 1
414 1 47 ILE H 1 47 ILE HB . . 2.662 2.206 2.092 2.465 . 0 0 "[ . 1 . 2]" 1
415 1 47 ILE H 1 47 ILE QG . . 3.698 2.333 1.860 2.980 . 0 0 "[ . 1 . 2]" 1
416 1 47 ILE H 1 48 GLU H . . 4.309 4.303 4.100 4.529 0.219 18 0 "[ . 1 . 2]" 1
417 1 47 ILE HA 1 47 ILE HB . . 3.047 3.037 3.011 3.051 0.004 4 0 "[ . 1 . 2]" 1
418 1 47 ILE HA 1 47 ILE QG . . 3.709 2.528 2.266 3.184 . 0 0 "[ . 1 . 2]" 1
419 1 47 ILE HA 1 47 ILE MG . . 2.924 2.381 2.210 2.506 . 0 0 "[ . 1 . 2]" 1
420 1 47 ILE HA 1 48 GLU H . . 2.858 2.215 2.139 2.356 . 0 0 "[ . 1 . 2]" 1
421 1 47 ILE MD 1 79 TYR QD . . 4.130 2.240 2.051 2.702 . 0 0 "[ . 1 . 2]" 1
422 1 47 ILE MD 1 79 TYR QE . . 3.920 1.973 1.903 2.074 . 0 0 "[ . 1 . 2]" 1
423 1 48 GLU H 1 48 GLU HB2 . . 3.851 2.448 2.332 2.578 . 0 0 "[ . 1 . 2]" 1
424 1 48 GLU H 1 48 GLU QB . . 3.436 2.385 2.165 2.532 . 0 0 "[ . 1 . 2]" 1
425 1 48 GLU H 1 48 GLU HB3 . . 3.851 3.462 2.494 3.718 . 0 0 "[ . 1 . 2]" 1
426 1 48 GLU H 1 48 GLU HG2 . . 4.396 3.693 3.165 4.471 0.075 15 0 "[ . 1 . 2]" 1
427 1 48 GLU H 1 48 GLU QG . . 4.102 2.730 2.331 3.932 . 0 0 "[ . 1 . 2]" 1
428 1 48 GLU H 1 48 GLU HG3 . . 4.396 2.852 2.370 4.362 . 0 0 "[ . 1 . 2]" 1
429 1 48 GLU H 1 49 LYS H . . 3.665 2.572 2.291 3.363 . 0 0 "[ . 1 . 2]" 1
430 1 48 GLU HA 1 48 GLU QB . . 2.749 2.366 2.300 2.416 . 0 0 "[ . 1 . 2]" 1
431 1 48 GLU HA 1 48 GLU HG2 . . 3.207 2.578 2.277 3.513 0.306 20 0 "[ . 1 . 2]" 1
432 1 48 GLU HA 1 48 GLU QG . . 2.913 2.317 2.200 2.438 . 0 0 "[ . 1 . 2]" 1
433 1 48 GLU HA 1 48 GLU HG3 . . 3.207 2.973 2.249 3.358 0.151 14 0 "[ . 1 . 2]" 1
434 1 48 GLU HA 1 49 LYS H . . 3.645 3.482 2.656 3.624 . 0 0 "[ . 1 . 2]" 1
435 1 49 LYS H 1 49 LYS QG . . 4.538 3.400 2.226 4.031 . 0 0 "[ . 1 . 2]" 1
436 1 49 LYS HA 1 50 VAL H . . 2.444 2.411 2.170 2.514 0.070 6 0 "[ . 1 . 2]" 1
437 1 50 VAL H 1 50 VAL HA . . 3.142 2.980 2.946 2.991 . 0 0 "[ . 1 . 2]" 1
438 1 50 VAL H 1 50 VAL HB . . 3.196 2.566 2.427 2.715 . 0 0 "[ . 1 . 2]" 1
439 1 50 VAL HA 1 50 VAL HB . . 3.033 3.043 3.020 3.058 0.025 8 0 "[ . 1 . 2]" 1
440 1 50 VAL HA 1 51 GLU H . . 2.651 2.217 2.146 2.277 . 0 0 "[ . 1 . 2]" 1
441 1 50 VAL HA 1 69 THR HA . . 3.371 3.320 2.879 3.480 0.109 14 0 "[ . 1 . 2]" 1
442 1 50 VAL HA 1 69 THR HB . . 2.880 2.811 2.435 2.968 0.088 8 0 "[ . 1 . 2]" 1
443 1 50 VAL HB 1 51 GLU H . . 5.455 4.303 4.088 4.515 . 0 0 "[ . 1 . 2]" 1
444 1 50 VAL MG1 1 51 GLU H . . 5.340 2.970 2.558 3.367 . 0 0 "[ . 1 . 2]" 1
445 1 50 VAL MG1 1 69 THR HB . . 4.660 3.357 2.501 3.614 . 0 0 "[ . 1 . 2]" 1
446 1 50 VAL MG2 1 51 GLU H . . 5.580 4.236 4.027 4.389 . 0 0 "[ . 1 . 2]" 1
447 1 50 VAL MG2 1 69 THR HB . . 4.540 3.035 2.628 3.404 . 0 0 "[ . 1 . 2]" 1
448 1 51 GLU H 1 51 GLU HB2 . . 4.130 2.688 2.460 2.948 . 0 0 "[ . 1 . 2]" 1
449 1 51 GLU H 1 51 GLU HB3 . . 3.220 2.662 2.491 2.858 . 0 0 "[ . 1 . 2]" 1
450 1 51 GLU H 1 51 GLU QG . . 4.402 4.045 3.960 4.161 . 0 0 "[ . 1 . 2]" 1
451 1 51 GLU H 1 68 TYR H . . 3.764 3.893 3.780 3.959 0.195 7 0 "[ . 1 . 2]" 1
452 1 51 GLU H 1 69 THR HA . . 3.360 3.268 2.935 3.489 0.129 19 0 "[ . 1 . 2]" 1
453 1 51 GLU H 1 69 THR HB . . 4.233 4.030 3.636 4.283 0.051 17 0 "[ . 1 . 2]" 1
454 1 51 GLU HA 1 51 GLU HB2 . . 2.760 2.571 2.491 2.625 . 0 0 "[ . 1 . 2]" 1
455 1 51 GLU HA 1 51 GLU HB3 . . 2.940 3.026 3.014 3.038 0.098 5 0 "[ . 1 . 2]" 1
456 1 51 GLU HA 1 51 GLU QG . . 3.764 2.341 2.125 2.967 . 0 0 "[ . 1 . 2]" 1
457 1 51 GLU HA 1 52 HIS H . . 2.651 2.456 2.204 2.645 . 0 0 "[ . 1 . 2]" 1
458 1 51 GLU HB3 1 51 GLU QG . . 2.530 2.353 2.191 2.391 . 0 0 "[ . 1 . 2]" 1
459 1 51 GLU HB3 1 68 TYR QE . . 3.950 2.700 2.177 3.639 . 0 0 "[ . 1 . 2]" 1
460 1 51 GLU QG 1 52 HIS H . . 4.647 2.736 1.997 4.251 . 0 0 "[ . 1 . 2]" 1
461 1 51 GLU QG 1 68 TYR QE . . 5.215 2.641 2.115 3.444 . 0 0 "[ . 1 . 2]" 1
462 1 52 HIS H 1 52 HIS HD2 . . 3.371 3.113 2.691 3.487 0.116 13 0 "[ . 1 . 2]" 1
463 1 52 HIS HA 1 52 HIS HB2 . . 2.924 2.468 2.256 3.019 0.095 17 0 "[ . 1 . 2]" 1
464 1 52 HIS HA 1 52 HIS QB . . 2.596 2.190 2.143 2.407 . 0 0 "[ . 1 . 2]" 1
465 1 52 HIS HA 1 52 HIS HB3 . . 2.924 2.471 2.352 2.676 . 0 0 "[ . 1 . 2]" 1
466 1 52 HIS HA 1 67 TYR HA . . 2.716 2.520 2.367 2.669 . 0 0 "[ . 1 . 2]" 1
467 1 52 HIS HA 1 68 TYR H . . 3.425 2.859 2.512 3.313 . 0 0 "[ . 1 . 2]" 1
468 1 52 HIS HA 1 68 TYR QE . . 4.135 3.117 2.745 3.489 . 0 0 "[ . 1 . 2]" 1
469 1 52 HIS QB 1 52 HIS HD2 . . 3.556 2.931 2.724 3.300 . 0 0 "[ . 1 . 2]" 1
470 1 52 HIS QB 1 53 SER H . . 4.429 2.584 2.273 2.771 . 0 0 "[ . 1 . 2]" 1
471 1 53 SER H 1 53 SER HA . . 2.871 2.940 2.891 2.989 0.118 1 0 "[ . 1 . 2]" 1
472 1 53 SER H 1 53 SER HB2 . . 3.785 3.070 2.432 3.701 . 0 0 "[ . 1 . 2]" 1
473 1 53 SER H 1 53 SER HB3 . . 3.785 2.660 2.398 3.614 . 0 0 "[ . 1 . 2]" 1
474 1 53 SER H 1 66 LEU H . . 3.800 3.039 2.699 3.329 . 0 0 "[ . 1 . 2]" 1
475 1 53 SER H 1 67 TYR HA . . 3.661 3.793 3.657 3.915 0.254 15 0 "[ . 1 . 2]" 1
476 1 53 SER H 1 68 TYR QE . . 4.778 3.519 2.641 4.192 . 0 0 "[ . 1 . 2]" 1
477 1 53 SER HA 1 54 ASP H . . 4.000 2.703 2.188 3.456 . 0 0 "[ . 1 . 2]" 1
478 1 55 LEU HA 1 55 LEU MD1 . . 4.047 2.758 2.080 3.431 . 0 0 "[ . 1 . 2]" 1
479 1 55 LEU HA 1 55 LEU QD . . 3.229 2.059 2.002 2.139 . 0 0 "[ . 1 . 2]" 1
480 1 55 LEU HA 1 55 LEU MD2 . . 4.047 2.282 2.021 3.664 . 0 0 "[ . 1 . 2]" 1
481 1 55 LEU HA 1 56 SER H . . 2.749 2.122 2.058 2.239 . 0 0 "[ . 1 . 2]" 1
482 1 55 LEU QD 1 56 SER H . . 4.505 2.212 2.034 2.434 . 0 0 "[ . 1 . 2]" 1
483 1 55 LEU QD 1 63 PHE QB . . 6.300 3.518 2.268 4.009 . 0 0 "[ . 1 . 2]" 1
484 1 55 LEU QD 1 63 PHE QD . . 4.207 2.245 1.972 2.836 . 0 0 "[ . 1 . 2]" 1
485 1 55 LEU QD 1 63 PHE QE . . 5.629 2.246 1.959 3.249 . 0 0 "[ . 1 . 2]" 1
486 1 55 LEU MD1 1 56 SER H . . 5.455 2.474 2.164 3.365 . 0 0 "[ . 1 . 2]" 1
487 1 55 LEU MD1 1 63 PHE QD . . 4.364 3.040 2.008 3.564 . 0 0 "[ . 1 . 2]" 1
488 1 55 LEU MD2 1 56 SER H . . 5.455 3.092 2.114 4.734 . 0 0 "[ . 1 . 2]" 1
489 1 55 LEU MD2 1 63 PHE QD . . 4.564 2.428 2.135 3.348 . 0 0 "[ . 1 . 2]" 1
490 1 55 LEU HG 1 56 SER H . . 4.611 4.636 3.593 4.903 0.292 6 0 "[ . 1 . 2]" 1
491 1 55 LEU HG 1 63 PHE QD . . 4.584 3.950 2.405 4.733 0.150 5 0 "[ . 1 . 2]" 1
492 1 56 SER H 1 56 SER HA . . 2.949 2.981 2.949 2.996 0.047 18 0 "[ . 1 . 2]" 1
493 1 56 SER H 1 56 SER HB2 . . 3.218 3.122 2.391 3.288 0.070 15 0 "[ . 1 . 2]" 1
494 1 56 SER H 1 56 SER HB3 . . 3.218 2.730 2.524 3.581 0.363 12 0 "[ . 1 . 2]" 1
495 1 56 SER H 1 64 TYR H . . 3.800 3.524 2.896 3.850 0.050 20 0 "[ . 1 . 2]" 1
496 1 56 SER QB 1 64 TYR QE . . 4.549 2.770 2.460 3.523 . 0 0 "[ . 1 . 2]" 1
497 1 57 PHE HA 1 57 PHE QD . . 3.884 3.760 3.670 3.787 . 0 0 "[ . 1 . 2]" 1
498 1 57 PHE HA 1 58 SER H . . 3.393 2.875 2.224 3.341 . 0 0 "[ . 1 . 2]" 1
499 1 57 PHE HA 1 63 PHE H . . 3.924 4.025 3.422 4.365 0.442 13 0 "[ . 1 . 2]" 1
500 1 57 PHE HA 1 63 PHE HA . . 2.825 2.114 1.974 2.294 . 0 0 "[ . 1 . 2]" 1
501 1 57 PHE HA 1 63 PHE QD . . 4.767 4.159 3.397 4.375 . 0 0 "[ . 1 . 2]" 1
502 1 57 PHE HA 1 63 PHE QE . . 5.607 5.180 4.644 5.343 . 0 0 "[ . 1 . 2]" 1
503 1 57 PHE HA 1 64 TYR H . . 3.916 2.566 2.222 3.077 . 0 0 "[ . 1 . 2]" 1
504 1 57 PHE HA 1 64 TYR QD . . 5.455 3.470 2.775 3.858 . 0 0 "[ . 1 . 2]" 1
505 1 57 PHE HA 1 64 TYR QE . . 4.651 4.056 3.332 4.565 . 0 0 "[ . 1 . 2]" 1
506 1 57 PHE QB 1 63 PHE HA . . 4.353 2.174 2.078 2.279 . 0 0 "[ . 1 . 2]" 1
507 1 57 PHE QB 1 63 PHE QD . . 4.505 2.555 2.358 2.960 . 0 0 "[ . 1 . 2]" 1
508 1 57 PHE QB 1 63 PHE QE . . 4.538 3.106 2.741 3.311 . 0 0 "[ . 1 . 2]" 1
509 1 57 PHE QB 1 63 PHE HZ . . 5.291 4.051 3.801 4.354 . 0 0 "[ . 1 . 2]" 1
510 1 57 PHE QD 1 63 PHE HA . . 4.169 4.252 4.123 4.363 0.194 6 0 "[ . 1 . 2]" 1
511 1 57 PHE QD 1 63 PHE QD . . 5.269 3.685 3.232 4.465 . 0 0 "[ . 1 . 2]" 1
512 1 57 PHE QD 1 63 PHE QE . . 4.931 3.617 2.308 4.007 . 0 0 "[ . 1 . 2]" 1
513 1 57 PHE QD 1 63 PHE HZ . . 5.162 4.483 3.348 5.001 . 0 0 "[ . 1 . 2]" 1
514 1 57 PHE QE 1 59 LYS QG . . 4.730 3.449 2.523 4.281 . 0 0 "[ . 1 . 2]" 1
515 1 58 SER HA 1 64 TYR QE . . 4.520 4.172 2.973 4.681 0.161 5 0 "[ . 1 . 2]" 1
516 1 58 SER QB 1 64 TYR QE . . 4.730 2.271 2.084 2.731 . 0 0 "[ . 1 . 2]" 1
517 1 58 SER HB2 1 64 TYR QE . . 5.000 2.922 2.113 3.949 . 0 0 "[ . 1 . 2]" 1
518 1 58 SER HB3 1 64 TYR QE . . 5.000 2.737 2.148 3.569 . 0 0 "[ . 1 . 2]" 1
519 1 59 LYS HA 1 60 ASP HA . . 4.387 4.585 4.420 4.718 0.331 7 0 "[ . 1 . 2]" 1
520 1 60 ASP HA 1 60 ASP QB . . 2.782 2.368 2.189 2.454 . 0 0 "[ . 1 . 2]" 1
521 1 60 ASP HA 1 61 TRP HD1 . . 4.340 3.353 2.731 4.291 . 0 0 "[ . 1 . 2]" 1
522 1 60 ASP QB 1 61 TRP HD1 . . 5.040 3.795 2.462 4.573 . 0 0 "[ . 1 . 2]" 1
523 1 60 ASP QB 1 62 SER QB . . 5.180 3.518 2.453 4.306 . 0 0 "[ . 1 . 2]" 1
524 1 61 TRP HA 1 61 TRP HD1 . . 4.091 4.147 3.934 4.286 0.195 16 0 "[ . 1 . 2]" 1
525 1 61 TRP HA 1 61 TRP HE3 . . 4.047 3.527 3.076 4.403 0.356 2 0 "[ . 1 . 2]" 1
526 1 61 TRP QB 1 61 TRP HE3 . . 3.676 2.590 2.375 2.837 . 0 0 "[ . 1 . 2]" 1
527 1 63 PHE HA 1 63 PHE QD . . 3.284 2.832 2.130 3.068 . 0 0 "[ . 1 . 2]" 1
528 1 63 PHE HA 1 63 PHE QE . . 4.665 4.321 4.032 4.482 . 0 0 "[ . 1 . 2]" 1
529 1 63 PHE HA 1 64 TYR H . . 2.793 2.312 2.241 2.349 . 0 0 "[ . 1 . 2]" 1
530 1 63 PHE QB 1 64 TYR H . . 4.680 3.614 2.585 3.986 . 0 0 "[ . 1 . 2]" 1
531 1 63 PHE QD 1 64 TYR H . . 3.982 3.470 2.340 3.860 . 0 0 "[ . 1 . 2]" 1
532 1 63 PHE QE 1 64 TYR H . . 5.313 4.858 4.311 5.045 . 0 0 "[ . 1 . 2]" 1
533 1 64 TYR H 1 64 TYR QD . . 3.905 3.449 2.907 3.675 . 0 0 "[ . 1 . 2]" 1
534 1 64 TYR HA 1 64 TYR HB2 . . 2.860 2.471 2.439 2.509 . 0 0 "[ . 1 . 2]" 1
535 1 64 TYR HA 1 64 TYR HB3 . . 2.730 2.387 2.325 2.430 . 0 0 "[ . 1 . 2]" 1
536 1 64 TYR HA 1 64 TYR QD . . 3.593 3.766 3.755 3.785 0.192 5 0 "[ . 1 . 2]" 1
537 1 64 TYR HB2 1 65 LEU H . . 3.720 2.088 2.009 2.165 . 0 0 "[ . 1 . 2]" 1
538 1 64 TYR HB3 1 65 LEU H . . 3.720 3.503 3.435 3.572 . 0 0 "[ . 1 . 2]" 1
539 1 64 TYR QD 1 65 LEU H . . 6.545 3.060 2.873 3.182 . 0 0 "[ . 1 . 2]" 1
540 1 64 TYR QE 1 65 LEU H . . 5.667 5.327 5.142 5.429 . 0 0 "[ . 1 . 2]" 1
541 1 65 LEU H 1 65 LEU HG . . 4.175 3.835 3.741 4.020 . 0 0 "[ . 1 . 2]" 1
542 1 65 LEU QD 1 67 TYR QE . . 3.845 2.171 1.979 2.238 . 0 0 "[ . 1 . 2]" 1
543 1 65 LEU MD1 1 67 TYR QD . . 4.962 3.461 3.216 3.897 . 0 0 "[ . 1 . 2]" 1
544 1 65 LEU MD1 1 67 TYR QE . . 4.522 2.424 2.297 2.525 . 0 0 "[ . 1 . 2]" 1
545 1 65 LEU MD2 1 67 TYR QD . . 4.762 3.825 3.476 3.945 . 0 0 "[ . 1 . 2]" 1
546 1 65 LEU MD2 1 67 TYR QE . . 4.522 2.462 2.154 2.567 . 0 0 "[ . 1 . 2]" 1
547 1 65 LEU HG 1 66 LEU H . . 3.947 3.898 3.431 4.022 0.075 6 0 "[ . 1 . 2]" 1
548 1 65 LEU HG 1 67 TYR QE . . 4.091 2.927 2.705 3.000 . 0 0 "[ . 1 . 2]" 1
549 1 66 LEU H 1 66 LEU QB . . 3.840 2.272 2.183 2.466 . 0 0 "[ . 1 . 2]" 1
550 1 66 LEU H 1 66 LEU MD1 . . 5.044 4.241 4.157 4.389 . 0 0 "[ . 1 . 2]" 1
551 1 66 LEU H 1 66 LEU QD . . 4.844 3.776 3.748 3.815 . 0 0 "[ . 1 . 2]" 1
552 1 66 LEU H 1 66 LEU MD2 . . 5.144 4.240 4.161 4.335 . 0 0 "[ . 1 . 2]" 1
553 1 66 LEU HA 1 66 LEU MD1 . . 4.713 3.766 3.706 3.797 . 0 0 "[ . 1 . 2]" 1
554 1 66 LEU HA 1 66 LEU QD . . 3.545 2.404 2.334 2.480 . 0 0 "[ . 1 . 2]" 1
555 1 66 LEU HA 1 66 LEU MD2 . . 4.713 2.432 2.357 2.520 . 0 0 "[ . 1 . 2]" 1
556 1 66 LEU HA 1 66 LEU HG . . 2.553 2.461 2.286 2.561 0.008 4 0 "[ . 1 . 2]" 1
557 1 66 LEU QB 1 66 LEU HG . . 2.716 2.338 2.302 2.386 . 0 0 "[ . 1 . 2]" 1
558 1 66 LEU QB 1 67 TYR H . . 4.407 3.677 3.585 3.782 . 0 0 "[ . 1 . 2]" 1
559 1 66 LEU QD 1 67 TYR H . . 6.284 2.053 1.955 2.243 . 0 0 "[ . 1 . 2]" 1
560 1 66 LEU QD 1 68 TYR HB3 . . 5.640 2.699 2.385 3.000 . 0 0 "[ . 1 . 2]" 1
561 1 66 LEU QD 1 68 TYR QD . . 4.531 2.137 1.974 2.274 . 0 0 "[ . 1 . 2]" 1
562 1 66 LEU MD1 1 68 TYR QD . . 5.549 3.180 2.603 3.837 . 0 0 "[ . 1 . 2]" 1
563 1 66 LEU MD1 1 68 TYR QE . . 5.247 2.674 2.190 3.571 . 0 0 "[ . 1 . 2]" 1
564 1 66 LEU MD2 1 68 TYR QD . . 5.149 2.182 2.025 2.294 . 0 0 "[ . 1 . 2]" 1
565 1 66 LEU MD2 1 68 TYR QE . . 4.847 3.170 2.928 3.383 . 0 0 "[ . 1 . 2]" 1
566 1 66 LEU HG 1 67 TYR H . . 3.898 3.856 3.749 3.955 0.057 17 0 "[ . 1 . 2]" 1
567 1 67 TYR H 1 67 TYR QD . . 4.142 2.198 2.035 2.966 . 0 0 "[ . 1 . 2]" 1
568 1 67 TYR HA 1 67 TYR HB2 . . 3.002 3.034 3.008 3.046 0.044 15 0 "[ . 1 . 2]" 1
569 1 67 TYR HA 1 67 TYR QB . . 2.796 2.284 2.239 2.328 . 0 0 "[ . 1 . 2]" 1
570 1 67 TYR HA 1 67 TYR HB3 . . 2.902 2.362 2.310 2.416 . 0 0 "[ . 1 . 2]" 1
571 1 67 TYR HA 1 67 TYR QD . . 3.851 3.443 2.733 3.589 . 0 0 "[ . 1 . 2]" 1
572 1 67 TYR HA 1 68 TYR H . . 2.618 2.198 2.162 2.252 . 0 0 "[ . 1 . 2]" 1
573 1 67 TYR HA 1 68 TYR QD . . 4.309 3.800 2.955 4.434 0.125 19 0 "[ . 1 . 2]" 1
574 1 68 TYR H 1 68 TYR HB3 . . 3.600 3.184 2.977 3.317 . 0 0 "[ . 1 . 2]" 1
575 1 68 TYR H 1 68 TYR QD . . 4.211 2.293 2.022 2.708 . 0 0 "[ . 1 . 2]" 1
576 1 68 TYR H 1 68 TYR QE . . 5.149 3.740 3.489 3.971 . 0 0 "[ . 1 . 2]" 1
577 1 68 TYR HA 1 68 TYR HB2 . . 2.800 2.516 2.373 2.608 . 0 0 "[ . 1 . 2]" 1
578 1 68 TYR HA 1 68 TYR HB3 . . 2.550 2.145 2.083 2.226 . 0 0 "[ . 1 . 2]" 1
579 1 68 TYR HA 1 69 THR H . . 2.880 2.101 1.995 2.164 . 0 0 "[ . 1 . 2]" 1
580 1 68 TYR HB2 1 69 THR H . . 3.840 2.803 2.708 3.033 . 0 0 "[ . 1 . 2]" 1
581 1 68 TYR HB3 1 69 THR H . . 3.290 3.542 3.421 3.735 0.445 11 0 "[ . 1 . 2]" 1
582 1 68 TYR QD 1 69 THR H . . 4.451 4.317 4.157 4.571 0.120 17 0 "[ . 1 . 2]" 1
583 1 69 THR H 1 69 THR HB . . 4.025 3.064 2.946 3.164 . 0 0 "[ . 1 . 2]" 1
584 1 69 THR H 1 69 THR MG . . 4.113 2.231 2.130 2.419 . 0 0 "[ . 1 . 2]" 1
585 1 69 THR HA 1 69 THR HB . . 2.498 2.393 2.343 2.455 . 0 0 "[ . 1 . 2]" 1
586 1 69 THR HA 1 70 GLU H . . 2.840 2.416 2.294 2.687 . 0 0 "[ . 1 . 2]" 1
587 1 69 THR MG 1 70 GLU H . . 6.545 3.427 2.754 3.902 . 0 0 "[ . 1 . 2]" 1
588 1 69 THR MG 1 71 PHE H . . 4.113 2.833 2.488 3.071 . 0 0 "[ . 1 . 2]" 1
589 1 69 THR MG 1 71 PHE QB . . 4.778 2.326 2.119 2.527 . 0 0 "[ . 1 . 2]" 1
590 1 69 THR MG 1 71 PHE QD . . 5.455 3.759 3.295 4.055 . 0 0 "[ . 1 . 2]" 1
591 1 70 GLU H 1 70 GLU QB . . 3.862 2.659 2.243 3.053 . 0 0 "[ . 1 . 2]" 1
592 1 70 GLU H 1 71 PHE H . . 3.822 3.819 3.654 3.972 0.150 11 0 "[ . 1 . 2]" 1
593 1 70 GLU HA 1 70 GLU HB2 . . 2.793 2.712 2.462 3.016 0.223 15 0 "[ . 1 . 2]" 1
594 1 70 GLU HA 1 70 GLU QB . . 2.687 2.247 2.108 2.505 . 0 0 "[ . 1 . 2]" 1
595 1 70 GLU HA 1 70 GLU HB3 . . 2.793 2.439 2.207 3.006 0.213 13 0 "[ . 1 . 2]" 1
596 1 70 GLU HA 1 71 PHE H . . 2.902 2.411 2.311 2.512 . 0 0 "[ . 1 . 2]" 1
597 1 71 PHE H 1 71 PHE HA . . 2.989 2.872 2.844 2.936 . 0 0 "[ . 1 . 2]" 1
598 1 71 PHE H 1 71 PHE QD . . 3.360 2.113 1.963 2.348 . 0 0 "[ . 1 . 2]" 1
599 1 71 PHE H 1 72 THR H . . 4.520 4.556 4.522 4.613 0.093 12 0 "[ . 1 . 2]" 1
600 1 71 PHE HA 1 71 PHE HB2 . . 2.520 2.272 2.241 2.325 . 0 0 "[ . 1 . 2]" 1
601 1 71 PHE HA 1 71 PHE HB3 . . 2.720 2.579 2.471 2.637 . 0 0 "[ . 1 . 2]" 1
602 1 71 PHE HA 1 71 PHE QD . . 3.671 3.722 3.689 3.781 0.110 20 0 "[ . 1 . 2]" 1
603 1 71 PHE HA 1 72 THR H . . 2.793 2.130 2.060 2.258 . 0 0 "[ . 1 . 2]" 1
604 1 71 PHE QB 1 72 THR H . . 4.244 2.953 2.649 3.197 . 0 0 "[ . 1 . 2]" 1
605 1 71 PHE QD 1 72 THR H . . 3.909 3.924 3.674 4.254 0.345 19 0 "[ . 1 . 2]" 1
606 1 71 PHE QD 1 73 PRO QG . . 5.640 4.108 3.865 4.711 . 0 0 "[ . 1 . 2]" 1
607 1 71 PHE QD 1 79 TYR QD . . 4.620 3.147 2.909 3.492 . 0 0 "[ . 1 . 2]" 1
608 1 71 PHE QD 1 79 TYR QE . . 4.704 3.449 3.238 3.739 . 0 0 "[ . 1 . 2]" 1
609 1 71 PHE QD 1 96 TRP HE3 . . 5.209 4.458 3.748 4.706 . 0 0 "[ . 1 . 2]" 1
610 1 71 PHE QD 1 96 TRP HH2 . . 4.678 4.315 4.022 4.616 . 0 0 "[ . 1 . 2]" 1
611 1 71 PHE QD 1 96 TRP HZ3 . . 4.035 3.074 2.873 3.385 . 0 0 "[ . 1 . 2]" 1
612 1 71 PHE HZ 1 96 TRP HZ2 . . 4.069 3.111 2.856 3.527 . 0 0 "[ . 1 . 2]" 1
613 1 72 THR H 1 72 THR HB . . 3.153 2.578 2.481 2.663 . 0 0 "[ . 1 . 2]" 1
614 1 72 THR HA 1 72 THR MG . . 3.142 2.260 2.220 2.331 . 0 0 "[ . 1 . 2]" 1
615 1 72 THR HA 1 73 PRO HD2 . . 3.218 2.292 2.160 2.401 . 0 0 "[ . 1 . 2]" 1
616 1 72 THR HA 1 73 PRO QD . . 2.989 2.131 2.070 2.187 . 0 0 "[ . 1 . 2]" 1
617 1 72 THR HA 1 73 PRO HD3 . . 3.218 2.559 2.392 2.823 . 0 0 "[ . 1 . 2]" 1
618 1 73 PRO HA 1 74 THR H . . 2.476 2.341 2.209 2.446 . 0 0 "[ . 1 . 2]" 1
619 1 73 PRO QB 1 74 THR H . . 4.298 3.864 3.534 3.984 . 0 0 "[ . 1 . 2]" 1
620 1 74 THR H 1 74 THR MG . . 4.429 2.402 2.023 3.764 . 0 0 "[ . 1 . 2]" 1
621 1 74 THR HA 1 74 THR HB . . 2.556 2.489 2.350 2.931 0.374 8 0 "[ . 1 . 2]" 1
622 1 74 THR HA 1 74 THR MG . . 3.460 2.426 2.261 3.217 . 0 0 "[ . 1 . 2]" 1
623 1 74 THR HA 1 75 GLU H . . 2.564 2.310 2.121 2.819 0.255 12 0 "[ . 1 . 2]" 1
624 1 74 THR HB 1 75 GLU H . . 3.840 3.437 2.160 4.211 0.371 8 0 "[ . 1 . 2]" 1
625 1 75 GLU H 1 75 GLU QB . . 3.905 2.877 2.173 3.360 . 0 0 "[ . 1 . 2]" 1
626 1 75 GLU HA 1 77 ASP H . . 4.573 4.552 4.067 4.759 0.186 2 0 "[ . 1 . 2]" 1
627 1 76 LYS H 1 76 LYS QG . . 4.898 3.268 2.028 4.235 . 0 0 "[ . 1 . 2]" 1
628 1 76 LYS H 1 77 ASP H . . 3.284 2.747 2.080 3.412 0.129 17 0 "[ . 1 . 2]" 1
629 1 76 LYS HA 1 77 ASP H . . 3.436 2.956 2.389 3.534 0.097 13 0 "[ . 1 . 2]" 1
630 1 77 ASP HA 1 77 ASP HB2 . . 3.015 2.801 2.290 3.047 0.033 7 0 "[ . 1 . 2]" 1
631 1 77 ASP HA 1 77 ASP HB3 . . 2.815 2.691 2.424 3.011 0.196 6 0 "[ . 1 . 2]" 1
632 1 77 ASP HA 1 78 GLU H . . 2.640 2.217 2.095 2.480 . 0 0 "[ . 1 . 2]" 1
633 1 77 ASP QB 1 79 TYR QE . . 5.140 2.409 2.112 2.932 . 0 0 "[ . 1 . 2]" 1
634 1 78 GLU H 1 78 GLU HA . . 3.131 2.945 2.867 2.993 . 0 0 "[ . 1 . 2]" 1
635 1 78 GLU H 1 78 GLU HB2 . . 3.220 2.951 2.289 3.517 0.297 19 0 "[ . 1 . 2]" 1
636 1 78 GLU H 1 78 GLU HB3 . . 3.330 2.683 2.356 3.216 . 0 0 "[ . 1 . 2]" 1
637 1 78 GLU HA 1 78 GLU HB2 . . 2.640 2.503 2.392 2.659 0.019 6 0 "[ . 1 . 2]" 1
638 1 78 GLU HA 1 78 GLU HB3 . . 3.070 3.011 2.367 3.056 . 0 0 "[ . 1 . 2]" 1
639 1 78 GLU HA 1 79 TYR H . . 2.607 2.283 2.126 2.597 . 0 0 "[ . 1 . 2]" 1
640 1 79 TYR H 1 79 TYR HB2 . . 3.700 2.407 2.213 2.728 . 0 0 "[ . 1 . 2]" 1
641 1 79 TYR H 1 79 TYR HB3 . . 3.930 3.611 3.516 3.793 . 0 0 "[ . 1 . 2]" 1
642 1 79 TYR H 1 79 TYR QD . . 3.862 2.469 2.035 3.014 . 0 0 "[ . 1 . 2]" 1
643 1 79 TYR H 1 80 ALA H . . 4.516 4.539 4.378 4.631 0.115 19 0 "[ . 1 . 2]" 1
644 1 79 TYR H 1 96 TRP HE3 . . 3.905 3.057 2.499 3.891 . 0 0 "[ . 1 . 2]" 1
645 1 79 TYR HA 1 79 TYR HB2 . . 3.070 3.006 2.966 3.028 . 0 0 "[ . 1 . 2]" 1
646 1 79 TYR HA 1 79 TYR HB3 . . 2.870 2.545 2.463 2.650 . 0 0 "[ . 1 . 2]" 1
647 1 79 TYR HA 1 79 TYR QD . . 3.316 3.107 2.907 3.224 . 0 0 "[ . 1 . 2]" 1
648 1 79 TYR HA 1 80 ALA H . . 2.705 2.211 2.117 2.283 . 0 0 "[ . 1 . 2]" 1
649 1 79 TYR HB2 1 96 TRP HE3 . . 3.120 2.119 2.072 2.186 . 0 0 "[ . 1 . 2]" 1
650 1 79 TYR HB3 1 96 TRP HE3 . . 3.540 3.337 2.539 3.737 0.197 16 0 "[ . 1 . 2]" 1
651 1 79 TYR QD 1 80 ALA H . . 4.353 4.015 3.727 4.293 . 0 0 "[ . 1 . 2]" 1
652 1 79 TYR QD 1 96 TRP HE3 . . 4.140 3.988 3.502 4.275 0.135 15 0 "[ . 1 . 2]" 1
653 1 80 ALA H 1 80 ALA HA . . 2.902 2.941 2.920 2.964 0.062 7 0 "[ . 1 . 2]" 1
654 1 80 ALA H 1 80 ALA MB . . 3.655 2.636 2.571 2.697 . 0 0 "[ . 1 . 2]" 1
655 1 80 ALA HA 1 81 CYS H . . 2.716 2.412 2.226 2.539 . 0 0 "[ . 1 . 2]" 1
656 1 80 ALA HA 1 95 LYS HA . . 2.411 2.321 2.149 2.472 0.061 10 0 "[ . 1 . 2]" 1
657 1 80 ALA HA 1 96 TRP H . . 3.153 2.320 2.173 2.602 . 0 0 "[ . 1 . 2]" 1
658 1 80 ALA MB 1 81 CYS H . . 3.458 2.357 2.227 2.927 . 0 0 "[ . 1 . 2]" 1
659 1 80 ALA MB 1 95 LYS HA . . 3.011 2.124 2.062 2.192 . 0 0 "[ . 1 . 2]" 1
660 1 80 ALA MB 1 96 TRP H . . 4.407 3.306 3.116 3.488 . 0 0 "[ . 1 . 2]" 1
661 1 81 CYS H 1 95 LYS HA . . 3.524 3.228 2.468 3.582 0.058 19 0 "[ . 1 . 2]" 1
662 1 81 CYS HA 1 82 ARG H . . 2.760 2.178 2.090 2.296 . 0 0 "[ . 1 . 2]" 1
663 1 82 ARG H 1 82 ARG HB2 . . 3.460 2.608 2.452 2.793 . 0 0 "[ . 1 . 2]" 1
664 1 82 ARG H 1 82 ARG HB3 . . 3.760 2.386 2.309 2.488 . 0 0 "[ . 1 . 2]" 1
665 1 82 ARG H 1 82 ARG QG . . 4.964 3.967 3.900 4.015 . 0 0 "[ . 1 . 2]" 1
666 1 82 ARG HA 1 82 ARG HB2 . . 2.590 2.462 2.382 2.511 . 0 0 "[ . 1 . 2]" 1
667 1 82 ARG HA 1 82 ARG HB3 . . 2.980 3.025 3.009 3.038 0.058 14 0 "[ . 1 . 2]" 1
668 1 82 ARG HA 1 82 ARG HG2 . . 3.044 3.076 2.650 3.234 0.190 16 0 "[ . 1 . 2]" 1
669 1 82 ARG HA 1 82 ARG QG . . 2.749 2.496 2.371 2.593 . 0 0 "[ . 1 . 2]" 1
670 1 82 ARG HA 1 82 ARG HG3 . . 3.044 2.663 2.439 3.083 0.039 15 0 "[ . 1 . 2]" 1
671 1 82 ARG HA 1 93 ILE HA . . 2.564 2.269 2.146 2.437 . 0 0 "[ . 1 . 2]" 1
672 1 82 ARG HA 1 93 ILE MD . . 3.218 2.165 2.090 2.239 . 0 0 "[ . 1 . 2]" 1
673 1 82 ARG HA 1 93 ILE MG . . 3.600 2.692 2.635 2.757 . 0 0 "[ . 1 . 2]" 1
674 1 83 VAL H 1 83 VAL MG1 . . 4.360 3.878 3.777 3.933 . 0 0 "[ . 1 . 2]" 1
675 1 83 VAL H 1 83 VAL MG2 . . 4.180 2.829 2.157 3.039 . 0 0 "[ . 1 . 2]" 1
676 1 83 VAL H 1 92 LYS H . . 3.296 3.326 2.822 3.419 0.123 15 0 "[ . 1 . 2]" 1
677 1 83 VAL H 1 93 ILE HA . . 3.138 3.109 2.854 3.193 0.055 3 0 "[ . 1 . 2]" 1
678 1 84 ASN HA 1 84 ASN HB2 . . 3.109 2.615 2.474 3.035 . 0 0 "[ . 1 . 2]" 1
679 1 84 ASN HA 1 84 ASN QB . . 2.738 2.377 2.128 2.450 . 0 0 "[ . 1 . 2]" 1
680 1 84 ASN HA 1 84 ASN HB3 . . 3.109 2.884 2.316 3.047 . 0 0 "[ . 1 . 2]" 1
681 1 84 ASN HA 1 85 HIS H . . 2.651 2.356 2.178 2.593 . 0 0 "[ . 1 . 2]" 1
682 1 84 ASN HA 1 91 PRO HA . . 2.836 2.978 2.906 3.242 0.406 12 0 "[ . 1 . 2]" 1
683 1 84 ASN HA 1 92 LYS H . . 3.949 3.602 3.301 3.969 0.020 15 0 "[ . 1 . 2]" 1
684 1 85 HIS H 1 88 LEU H . . 3.440 3.585 3.512 3.667 0.227 4 0 "[ . 1 . 2]" 1
685 1 85 HIS H 1 88 LEU HB2 . . 3.950 2.358 2.160 2.698 . 0 0 "[ . 1 . 2]" 1
686 1 85 HIS H 1 88 LEU QD . . 5.749 2.091 1.945 2.177 . 0 0 "[ . 1 . 2]" 1
687 1 85 HIS HA 1 85 HIS HD2 . . 3.127 2.897 2.492 3.050 . 0 0 "[ . 1 . 2]" 1
688 1 85 HIS QB 1 88 LEU H . . 4.865 2.705 2.227 3.071 . 0 0 "[ . 1 . 2]" 1
689 1 85 HIS QB 1 88 LEU QD . . 6.447 2.097 1.983 2.234 . 0 0 "[ . 1 . 2]" 1
690 1 85 HIS HD2 1 86 VAL H . . 3.305 3.236 2.596 3.413 0.107 11 0 "[ . 1 . 2]" 1
691 1 85 HIS HE1 1 87 THR MG . . 3.660 2.933 2.341 3.097 . 0 0 "[ . 1 . 2]" 1
692 1 86 VAL H 1 86 VAL HB . . 3.109 2.442 2.362 2.499 . 0 0 "[ . 1 . 2]" 1
693 1 86 VAL H 1 86 VAL MG1 . . 4.350 2.237 2.150 2.338 . 0 0 "[ . 1 . 2]" 1
694 1 86 VAL HA 1 86 VAL HB . . 2.647 2.423 2.373 2.480 . 0 0 "[ . 1 . 2]" 1
695 1 86 VAL HA 1 87 THR H . . 3.535 3.516 2.495 3.585 0.051 5 0 "[ . 1 . 2]" 1
696 1 86 VAL MG1 1 87 THR H . . 5.430 2.499 2.245 4.128 . 0 0 "[ . 1 . 2]" 1
697 1 86 VAL MG1 1 87 THR HA . . 5.240 3.582 3.395 4.462 . 0 0 "[ . 1 . 2]" 1
698 1 87 THR H 1 87 THR MG . . 4.327 2.707 2.244 3.679 . 0 0 "[ . 1 . 2]" 1
699 1 87 THR HA 1 87 THR HB . . 2.840 2.615 2.502 2.925 0.085 10 0 "[ . 1 . 2]" 1
700 1 87 THR HA 1 87 THR MG . . 3.556 3.113 2.300 3.201 . 0 0 "[ . 1 . 2]" 1
701 1 87 THR HA 1 88 LEU H . . 3.622 3.529 3.475 3.606 . 0 0 "[ . 1 . 2]" 1
702 1 87 THR MG 1 88 LEU H . . 4.636 2.837 2.598 4.031 . 0 0 "[ . 1 . 2]" 1
703 1 88 LEU H 1 88 LEU HB3 . . 3.540 3.476 3.421 3.560 0.020 1 0 "[ . 1 . 2]" 1
704 1 88 LEU H 1 88 LEU HG . . 4.207 4.202 3.980 4.252 0.045 16 0 "[ . 1 . 2]" 1
705 1 88 LEU HA 1 88 LEU HB3 . . 2.740 2.668 2.566 2.728 . 0 0 "[ . 1 . 2]" 1
706 1 88 LEU HA 1 88 LEU HG . . 2.804 2.478 2.397 2.621 . 0 0 "[ . 1 . 2]" 1
707 1 88 LEU HB2 1 88 LEU QD . . 2.850 2.154 2.135 2.176 . 0 0 "[ . 1 . 2]" 1
708 1 88 LEU HB2 1 90 GLN H . . 4.020 4.071 3.257 4.206 0.186 12 0 "[ . 1 . 2]" 1
709 1 88 LEU HB3 1 90 GLN H . . 3.570 2.600 2.072 2.756 . 0 0 "[ . 1 . 2]" 1
710 1 88 LEU QD 1 90 GLN H . . 6.491 4.035 3.637 4.260 . 0 0 "[ . 1 . 2]" 1
711 1 88 LEU HG 1 90 GLN H . . 4.291 4.127 3.582 4.415 0.124 3 0 "[ . 1 . 2]" 1
712 1 89 SER HA 1 89 SER QB . . 2.771 2.355 2.193 2.409 . 0 0 "[ . 1 . 2]" 1
713 1 89 SER HA 1 90 GLN H . . 3.545 3.412 2.858 3.598 0.052 16 0 "[ . 1 . 2]" 1
714 1 89 SER QB 1 90 GLN H . . 4.495 3.260 2.742 3.950 . 0 0 "[ . 1 . 2]" 1
715 1 90 GLN H 1 90 GLN HA . . 2.945 2.927 2.825 2.979 0.033 9 0 "[ . 1 . 2]" 1
716 1 90 GLN H 1 90 GLN HB2 . . 3.750 3.238 2.420 3.932 0.182 13 0 "[ . 1 . 2]" 1
717 1 90 GLN H 1 90 GLN HG2 . . 4.298 3.049 2.289 4.220 . 0 0 "[ . 1 . 2]" 1
718 1 90 GLN H 1 90 GLN QG . . 3.785 2.683 2.124 3.607 . 0 0 "[ . 1 . 2]" 1
719 1 90 GLN H 1 90 GLN HG3 . . 4.298 3.318 2.362 4.403 0.105 16 0 "[ . 1 . 2]" 1
720 1 90 GLN HA 1 90 GLN HB2 . . 2.970 2.706 2.208 3.041 0.071 1 0 "[ . 1 . 2]" 1
721 1 90 GLN HA 1 90 GLN HB3 . . 2.870 2.477 2.304 2.988 0.118 16 0 "[ . 1 . 2]" 1
722 1 90 GLN HA 1 90 GLN HG2 . . 3.840 3.309 2.414 3.791 . 0 0 "[ . 1 . 2]" 1
723 1 90 GLN HA 1 90 GLN QG . . 3.578 2.993 2.335 3.369 . 0 0 "[ . 1 . 2]" 1
724 1 90 GLN HA 1 90 GLN HG3 . . 3.840 3.530 2.788 3.842 0.002 7 0 "[ . 1 . 2]" 1
725 1 90 GLN HA 1 91 PRO HD2 . . 2.760 2.321 2.202 2.435 . 0 0 "[ . 1 . 2]" 1
726 1 90 GLN HA 1 91 PRO QD . . 2.433 2.095 2.049 2.133 . 0 0 "[ . 1 . 2]" 1
727 1 90 GLN HA 1 91 PRO HD3 . . 2.760 2.396 2.314 2.503 . 0 0 "[ . 1 . 2]" 1
728 1 92 LYS H 1 92 LYS QB . . 3.709 2.338 2.172 2.711 . 0 0 "[ . 1 . 2]" 1
729 1 92 LYS HA 1 93 ILE H . . 2.411 2.244 2.161 2.306 . 0 0 "[ . 1 . 2]" 1
730 1 93 ILE H 1 93 ILE MD . . 4.080 2.900 2.760 3.034 . 0 0 "[ . 1 . 2]" 1
731 1 93 ILE H 1 93 ILE QG . . 4.342 2.102 2.049 2.164 . 0 0 "[ . 1 . 2]" 1
732 1 93 ILE HA 1 93 ILE MD . . 2.967 2.323 2.286 2.361 . 0 0 "[ . 1 . 2]" 1
733 1 93 ILE HA 1 93 ILE MG . . 3.164 2.213 2.194 2.243 . 0 0 "[ . 1 . 2]" 1
734 1 93 ILE MD 1 93 ILE MG . . 3.775 2.130 2.080 2.155 . 0 0 "[ . 1 . 2]" 1
735 1 94 VAL H 1 94 VAL HB . . 3.044 2.457 2.298 2.600 . 0 0 "[ . 1 . 2]" 1
736 1 94 VAL H 1 94 VAL MG1 . . 4.790 3.781 3.729 3.841 . 0 0 "[ . 1 . 2]" 1
737 1 94 VAL HA 1 95 LYS H . . 2.749 2.247 2.149 3.314 0.565 3 1 "[ + . 1 . 2]" 1
738 1 94 VAL MG1 1 95 LYS H . . 4.500 3.115 2.430 3.655 . 0 0 "[ . 1 . 2]" 1
739 1 95 LYS H 1 95 LYS QB . . 3.447 2.452 2.196 2.902 . 0 0 "[ . 1 . 2]" 1
740 1 95 LYS HA 1 95 LYS QG . . 3.676 2.912 2.302 3.388 . 0 0 "[ . 1 . 2]" 1
741 1 95 LYS HA 1 96 TRP H . . 2.509 2.239 2.121 2.418 . 0 0 "[ . 1 . 2]" 1
742 1 95 LYS QB 1 96 TRP H . . 3.949 2.935 2.244 3.672 . 0 0 "[ . 1 . 2]" 1
743 1 96 TRP H 1 96 TRP HB2 . . 3.320 2.884 2.513 3.137 . 0 0 "[ . 1 . 2]" 1
744 1 96 TRP H 1 96 TRP HB3 . . 3.110 2.189 2.019 2.390 . 0 0 "[ . 1 . 2]" 1
745 1 96 TRP HB2 1 96 TRP HD1 . . 3.650 3.059 2.822 3.266 . 0 0 "[ . 1 . 2]" 1
746 1 96 TRP HB2 1 96 TRP HE3 . . 3.680 3.721 3.499 3.945 0.265 14 0 "[ . 1 . 2]" 1
747 1 96 TRP HB3 1 96 TRP HD1 . . 3.950 3.887 3.856 3.911 . 0 0 "[ . 1 . 2]" 1
748 1 96 TRP HB3 1 96 TRP HE3 . . 2.910 2.399 2.333 2.489 . 0 0 "[ . 1 . 2]" 1
749 1 96 TRP HD1 1 97 ASP H . . 3.425 3.243 2.412 3.521 0.096 6 0 "[ . 1 . 2]" 1
750 1 96 TRP HE1 1 98 ARG HA . . 3.920 3.473 2.409 4.111 0.191 2 0 "[ . 1 . 2]" 1
751 1 96 TRP HZ2 1 98 ARG HA . . 3.905 3.076 2.403 4.080 0.175 16 0 "[ . 1 . 2]" 1
752 1 97 ASP H 1 97 ASP HB2 . . 3.580 3.166 2.500 3.667 0.087 1 0 "[ . 1 . 2]" 1
753 1 97 ASP H 1 97 ASP HB3 . . 3.760 2.874 2.397 3.854 0.094 14 0 "[ . 1 . 2]" 1
754 1 97 ASP HA 1 97 ASP HB2 . . 2.740 2.560 2.429 3.003 0.263 14 0 "[ . 1 . 2]" 1
755 1 97 ASP HA 1 98 ARG H . . 2.750 2.407 2.118 2.853 0.103 10 0 "[ . 1 . 2]" 1
756 1 97 ASP HB3 1 98 ARG H . . 3.860 3.737 2.490 4.170 0.310 11 0 "[ . 1 . 2]" 1
757 1 98 ARG H 1 98 ARG HB2 . . 3.840 3.203 2.386 3.974 0.134 6 0 "[ . 1 . 2]" 1
758 1 98 ARG H 1 98 ARG QB . . 3.578 2.811 2.193 3.408 . 0 0 "[ . 1 . 2]" 1
759 1 98 ARG H 1 98 ARG HB3 . . 3.840 3.368 2.549 3.751 . 0 0 "[ . 1 . 2]" 1
760 1 98 ARG H 1 99 ASP H . . 3.785 3.438 2.437 3.918 0.132 3 0 "[ . 1 . 2]" 1
761 1 98 ARG HA 1 98 ARG HB2 . . 3.044 2.648 2.453 3.051 0.007 18 0 "[ . 1 . 2]" 1
762 1 98 ARG HA 1 98 ARG HB3 . . 3.044 2.593 2.241 3.066 0.023 2 0 "[ . 1 . 2]" 1
763 1 98 ARG HA 1 99 ASP H . . 3.415 2.752 2.111 3.556 0.142 2 0 "[ . 1 . 2]" 1
764 1 98 ARG QG 1 99 ASP HA . . 7.505 5.100 4.148 6.610 . 0 0 "[ . 1 . 2]" 1
765 1 98 ARG QG 1 100 MET QG . . 8.455 5.331 4.133 6.749 . 0 0 "[ . 1 . 2]" 1
766 1 99 ASP H 1 99 ASP HB2 . . 3.305 2.865 2.385 3.470 0.165 17 0 "[ . 1 . 2]" 1
767 1 99 ASP H 1 99 ASP HB3 . . 3.305 2.775 2.288 3.573 0.268 11 0 "[ . 1 . 2]" 1
768 1 99 ASP H 1 100 MET H . . 3.404 3.018 2.103 3.615 0.212 15 0 "[ . 1 . 2]" 1
769 1 100 MET H 1 100 MET HB2 . . 3.993 3.358 2.461 4.051 0.058 16 0 "[ . 1 . 2]" 1
770 1 100 MET H 1 100 MET QB . . 3.687 2.850 2.332 3.395 . 0 0 "[ . 1 . 2]" 1
771 1 100 MET H 1 100 MET HB3 . . 3.993 3.285 2.464 3.812 . 0 0 "[ . 1 . 2]" 1
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