NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
636856 |
5oqk   |
34169 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5oqk
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 678
_Distance_constraint_stats_list.Viol_count 585
_Distance_constraint_stats_list.Viol_total 456.795
_Distance_constraint_stats_list.Viol_max 0.932
_Distance_constraint_stats_list.Viol_rms 0.0386
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0067
_Distance_constraint_stats_list.Viol_average_violations_only 0.0781
_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 4 ARG 0.253 0.253 10 0 "[ . 1]"
1 5 ALA 0.389 0.253 10 0 "[ . 1]"
1 6 PRO 2.557 0.330 6 0 "[ . 1]"
1 7 LEU 8.000 0.548 2 2 "[ +- . 1]"
1 8 ASP 0.162 0.037 7 0 "[ . 1]"
1 9 PHE 0.827 0.173 9 0 "[ . 1]"
1 10 ARG 0.338 0.065 9 0 "[ . 1]"
1 11 GLY 0.736 0.075 2 0 "[ . 1]"
1 12 MET 0.170 0.085 9 0 "[ . 1]"
1 13 LEU 1.176 0.173 9 0 "[ . 1]"
1 14 ARG 0.066 0.025 9 0 "[ . 1]"
1 15 LYS 0.216 0.168 9 0 "[ . 1]"
1 16 LEU 0.194 0.125 9 0 "[ . 1]"
1 29 LEU 0.036 0.022 6 0 "[ . 1]"
1 30 VAL 5.520 0.932 8 7 "[*-* .**+ *]"
1 31 VAL 0.002 0.002 2 0 "[ . 1]"
1 34 ALA 0.004 0.002 2 0 "[ . 1]"
1 35 LEU 0.001 0.001 6 0 "[ . 1]"
1 36 LEU 0.002 0.002 2 0 "[ . 1]"
1 37 VAL 0.000 0.000 . 0 "[ . 1]"
1 38 LEU 0.000 0.000 . 0 "[ . 1]"
1 39 ALA 0.000 0.000 . 0 "[ . 1]"
1 40 GLU 0.000 0.000 . 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 ILE 0.059 0.022 9 0 "[ . 1]"
1 43 LEU 0.059 0.022 9 0 "[ . 1]"
1 44 ASP 0.019 0.010 6 0 "[ . 1]"
1 45 LEU 0.000 0.000 . 0 "[ . 1]"
1 46 LYS 0.593 0.261 8 0 "[ . 1]"
1 47 ILE 2.857 0.274 9 0 "[ . 1]"
1 48 ILE 2.877 0.274 9 0 "[ . 1]"
1 49 GLN 2.537 0.575 4 1 "[ +. 1]"
1 50 PRO 1.369 0.575 4 1 "[ +. 1]"
1 51 ASP 0.318 0.139 8 0 "[ . 1]"
1 52 LYS 0.882 0.155 8 0 "[ . 1]"
1 53 ASN 0.613 0.155 8 0 "[ . 1]"
1 54 ASN 0.826 0.111 5 0 "[ . 1]"
1 55 TYR 0.117 0.036 7 0 "[ . 1]"
1 56 ALA 0.507 0.268 8 0 "[ . 1]"
1 57 ALA 0.347 0.111 5 0 "[ . 1]"
1 58 MET 2.378 0.166 7 0 "[ . 1]"
1 59 VAL 1.224 0.166 7 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
1 61 HIS 0.000 0.000 . 0 "[ . 1]"
1 62 TYR 0.339 0.063 7 0 "[ . 1]"
1 63 MET 0.000 0.000 . 0 "[ . 1]"
1 68 LEU 1.770 0.254 5 0 "[ . 1]"
1 69 VAL 0.040 0.020 2 0 "[ . 1]"
1 71 PHE 5.576 0.932 8 7 "[*-* .**+ *]"
1 72 MET 0.029 0.020 2 0 "[ . 1]"
1 73 MET 0.004 0.004 6 0 "[ . 1]"
1 92 GLU 0.000 0.000 . 0 "[ . 1]"
1 93 ILE 0.000 0.000 . 0 "[ . 1]"
1 94 LEU 0.405 0.089 5 0 "[ . 1]"
1 95 ASP 0.000 0.000 . 0 "[ . 1]"
1 96 ALA 0.004 0.004 6 0 "[ . 1]"
1 97 VAL 0.575 0.136 5 0 "[ . 1]"
1 98 VAL 0.000 0.000 . 0 "[ . 1]"
1 99 VAL 0.461 0.089 5 0 "[ . 1]"
1 100 VAL 0.779 0.136 5 0 "[ . 1]"
1 101 VAL 0.248 0.084 4 0 "[ . 1]"
1 102 SER 0.000 0.000 . 0 "[ . 1]"
1 103 PHE 0.541 0.346 6 0 "[ . 1]"
1 104 ILE 0.821 0.346 6 0 "[ . 1]"
1 105 LEU 0.000 0.000 . 0 "[ . 1]"
1 106 ASP 2.185 0.323 10 0 "[ . 1]"
1 107 ILE 1.133 0.203 8 0 "[ . 1]"
1 108 VAL 0.984 0.203 8 0 "[ . 1]"
1 109 LEU 0.016 0.015 3 0 "[ . 1]"
1 110 LEU 0.173 0.050 6 0 "[ . 1]"
1 111 PHE 1.961 0.275 1 0 "[ . 1]"
1 112 GLN 2.483 0.275 1 0 "[ . 1]"
1 113 GLU 0.529 0.144 8 0 "[ . 1]"
1 114 HIS 0.000 0.000 . 0 "[ . 1]"
1 115 GLN 0.945 0.187 9 0 "[ . 1]"
1 116 PHE 0.997 0.110 7 0 "[ . 1]"
1 117 GLU 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.016 0.015 3 0 "[ . 1]"
1 119 LEU 2.019 0.268 8 0 "[ . 1]"
1 120 GLY 0.045 0.045 10 0 "[ . 1]"
1 121 LEU 0.045 0.045 10 0 "[ . 1]"
1 122 LEU 0.850 0.143 10 0 "[ . 1]"
1 123 ILE 0.587 0.104 5 0 "[ . 1]"
1 124 LEU 3.214 0.323 10 0 "[ . 1]"
1 125 LEU 1.118 0.256 5 0 "[ . 1]"
1 126 ARG 0.000 0.000 . 0 "[ . 1]"
1 128 TRP 0.560 0.256 5 0 "[ . 1]"
1 133 ILE 0.056 0.031 1 0 "[ . 1]"
1 134 ILE 0.750 0.254 5 0 "[ . 1]"
1 135 ASN 0.007 0.007 2 0 "[ . 1]"
1 136 GLY 0.189 0.054 5 0 "[ . 1]"
1 137 ILE 1.331 0.162 10 0 "[ . 1]"
1 138 ILE 2.419 0.162 10 0 "[ . 1]"
1 139 ILE 1.228 0.171 4 0 "[ . 1]"
1 140 SER 0.073 0.073 4 0 "[ . 1]"
1 141 VAL 1.211 0.097 5 0 "[ . 1]"
1 142 LYS 3.668 0.272 4 0 "[ . 1]"
1 143 THR 3.310 0.272 4 0 "[ . 1]"
1 144 ARG 0.115 0.085 8 0 "[ . 1]"
1 145 SER 0.213 0.085 8 0 "[ . 1]"
1 146 GLU 0.695 0.071 10 0 "[ . 1]"
1 147 ARG 0.707 0.071 10 0 "[ . 1]"
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 4 ARG H 1 4 ARG QG . . 4.560 3.873 2.552 4.433 . 0 0 "[ . 1]" 1
2 1 4 ARG H 1 5 ALA H . . 2.710 2.598 2.222 2.710 . 0 0 "[ . 1]" 1
3 1 4 ARG HA 1 5 ALA H . . 3.300 2.773 2.481 3.553 0.253 10 0 "[ . 1]" 1
4 1 4 ARG HA 1 5 ALA MB . . 4.490 4.067 3.637 4.488 . 0 0 "[ . 1]" 1
5 1 4 ARG QB 1 5 ALA H . . 4.770 3.738 2.094 4.024 . 0 0 "[ . 1]" 1
6 1 5 ALA H 1 5 ALA MB . . 3.260 2.532 2.026 2.910 . 0 0 "[ . 1]" 1
7 1 5 ALA MB 1 6 PRO QD . . 3.430 2.464 1.955 3.476 0.046 10 0 "[ . 1]" 1
8 1 6 PRO HA 1 7 LEU H . . 3.080 2.406 2.174 2.563 . 0 0 "[ . 1]" 1
9 1 6 PRO HA 1 7 LEU HB2 . . 5.260 5.170 4.171 5.590 0.330 6 0 "[ . 1]" 1
10 1 6 PRO HA 1 7 LEU QB . . 5.000 4.064 4.003 4.194 . 0 0 "[ . 1]" 1
11 1 6 PRO HA 1 7 LEU HB3 . . 5.500 4.580 4.104 5.614 0.114 10 0 "[ . 1]" 1
12 1 6 PRO HA 1 7 LEU QD . . 5.190 4.284 4.091 4.799 . 0 0 "[ . 1]" 1
13 1 6 PRO HB2 1 7 LEU H . . 3.960 2.630 2.235 3.379 . 0 0 "[ . 1]" 1
14 1 6 PRO HB3 1 7 LEU H . . 3.960 3.473 3.276 3.899 . 0 0 "[ . 1]" 1
15 1 6 PRO QD 1 7 LEU H . . 5.100 4.935 4.849 4.997 . 0 0 "[ . 1]" 1
16 1 6 PRO QG 1 7 LEU H . . 4.610 4.162 3.888 4.598 . 0 0 "[ . 1]" 1
17 1 7 LEU H 1 7 LEU HB2 . . 3.510 3.575 2.425 4.058 0.548 2 2 "[ +- . 1]" 1
18 1 7 LEU H 1 7 LEU QB . . 3.010 2.956 2.386 3.195 0.185 2 0 "[ . 1]" 1
19 1 7 LEU H 1 7 LEU HB3 . . 4.000 3.397 3.224 3.866 . 0 0 "[ . 1]" 1
20 1 7 LEU H 1 7 LEU MD1 . . 4.210 3.989 3.753 4.243 0.033 7 0 "[ . 1]" 1
21 1 7 LEU H 1 7 LEU QD . . 3.930 3.550 3.331 3.782 . 0 0 "[ . 1]" 1
22 1 7 LEU H 1 7 LEU MD2 . . 4.210 3.981 3.725 4.247 0.037 7 0 "[ . 1]" 1
23 1 7 LEU H 1 7 LEU HG . . 3.680 2.984 2.513 3.694 0.014 9 0 "[ . 1]" 1
24 1 7 LEU H 1 8 ASP H . . 2.500 2.054 1.849 2.527 0.027 10 0 "[ . 1]" 1
25 1 7 LEU H 1 8 ASP QB . . 4.630 3.883 3.761 4.185 . 0 0 "[ . 1]" 1
26 1 7 LEU H 1 9 PHE QB . . 4.440 3.716 3.558 3.822 . 0 0 "[ . 1]" 1
27 1 7 LEU H 1 9 PHE QR . . 5.290 5.348 5.265 5.369 0.079 3 0 "[ . 1]" 1
28 1 7 LEU H 1 10 ARG QD . . 4.540 4.460 3.606 4.595 0.055 2 0 "[ . 1]" 1
29 1 7 LEU HA 1 7 LEU MD1 . . 4.790 3.585 3.434 3.887 . 0 0 "[ . 1]" 1
30 1 7 LEU HA 1 7 LEU QD . . 3.540 2.903 1.957 3.330 . 0 0 "[ . 1]" 1
31 1 7 LEU HA 1 7 LEU MD2 . . 4.790 3.460 1.963 4.105 . 0 0 "[ . 1]" 1
32 1 7 LEU HA 1 8 ASP H . . 3.530 3.538 3.521 3.567 0.037 7 0 "[ . 1]" 1
33 1 7 LEU HA 1 8 ASP QB . . 5.220 5.200 5.173 5.227 0.007 9 0 "[ . 1]" 1
34 1 7 LEU HA 1 9 PHE H . . 5.500 4.620 4.363 4.792 . 0 0 "[ . 1]" 1
35 1 7 LEU HA 1 10 ARG H . . 5.500 4.205 3.716 4.526 . 0 0 "[ . 1]" 1
36 1 7 LEU QB 1 11 GLY H . . 5.340 5.282 4.915 5.373 0.033 3 0 "[ . 1]" 1
37 1 7 LEU HB2 1 8 ASP H . . 4.350 3.402 2.079 3.929 . 0 0 "[ . 1]" 1
38 1 7 LEU HB3 1 8 ASP H . . 4.350 3.457 2.521 3.813 . 0 0 "[ . 1]" 1
39 1 7 LEU QD 1 8 ASP H . . 4.300 2.981 2.560 3.736 . 0 0 "[ . 1]" 1
40 1 7 LEU QD 1 11 GLY H . . 5.110 4.994 4.870 5.122 0.012 7 0 "[ . 1]" 1
41 1 7 LEU HG 1 8 ASP H . . 4.700 2.708 1.931 4.602 . 0 0 "[ . 1]" 1
42 1 8 ASP H 1 8 ASP QB . . 3.560 2.206 2.132 2.269 . 0 0 "[ . 1]" 1
43 1 8 ASP H 1 9 PHE H . . 4.950 2.445 2.289 2.802 . 0 0 "[ . 1]" 1
44 1 8 ASP H 1 9 PHE QB . . 5.080 4.225 4.078 4.574 . 0 0 "[ . 1]" 1
45 1 8 ASP QB 1 9 PHE H . . 4.400 2.692 2.464 2.766 . 0 0 "[ . 1]" 1
46 1 8 ASP QB 1 9 PHE QB . . 5.090 3.874 3.828 3.906 . 0 0 "[ . 1]" 1
47 1 8 ASP QB 1 9 PHE QR . . 5.500 5.215 5.094 5.354 . 0 0 "[ . 1]" 1
48 1 8 ASP QB 1 10 ARG H . . 5.250 5.013 4.794 5.131 . 0 0 "[ . 1]" 1
49 1 8 ASP QB 1 11 GLY H . . 5.180 5.099 4.850 5.165 . 0 0 "[ . 1]" 1
50 1 9 PHE H 1 9 PHE HB2 . . 4.130 2.650 2.521 2.715 . 0 0 "[ . 1]" 1
51 1 9 PHE H 1 9 PHE HB3 . . 4.130 2.444 2.390 2.571 . 0 0 "[ . 1]" 1
52 1 9 PHE H 1 9 PHE QD . . 4.950 4.182 4.173 4.189 . 0 0 "[ . 1]" 1
53 1 9 PHE H 1 9 PHE QR . . 4.350 4.120 4.112 4.126 . 0 0 "[ . 1]" 1
54 1 9 PHE H 1 10 ARG H . . 4.250 2.723 2.665 2.816 . 0 0 "[ . 1]" 1
55 1 9 PHE HA 1 11 GLY H . . 4.720 4.252 4.056 4.364 . 0 0 "[ . 1]" 1
56 1 9 PHE HA 1 12 MET H . . 4.400 3.503 3.431 3.616 . 0 0 "[ . 1]" 1
57 1 9 PHE QB 1 10 ARG H . . 3.970 2.287 2.166 2.484 . 0 0 "[ . 1]" 1
58 1 9 PHE QB 1 10 ARG QB . . 4.860 4.138 3.615 4.550 . 0 0 "[ . 1]" 1
59 1 9 PHE HB2 1 10 ARG H . . 4.310 3.744 3.616 3.894 . 0 0 "[ . 1]" 1
60 1 9 PHE HB3 1 10 ARG H . . 4.310 2.308 2.183 2.513 . 0 0 "[ . 1]" 1
61 1 9 PHE QR 1 10 ARG H . . 4.600 3.480 3.288 3.792 . 0 0 "[ . 1]" 1
62 1 9 PHE QR 1 11 GLY H . . 5.500 5.254 4.992 5.356 . 0 0 "[ . 1]" 1
63 1 9 PHE QR 1 12 MET H . . 5.180 4.741 4.491 5.018 . 0 0 "[ . 1]" 1
64 1 9 PHE QR 1 12 MET ME . . 4.360 2.571 2.057 3.028 . 0 0 "[ . 1]" 1
65 1 9 PHE QR 1 13 LEU H . . 5.500 4.264 3.539 4.634 . 0 0 "[ . 1]" 1
66 1 9 PHE QR 1 13 LEU QD . . 3.670 2.064 1.956 2.356 . 0 0 "[ . 1]" 1
67 1 9 PHE QR 1 13 LEU HG . . 3.670 3.217 3.067 3.843 0.173 9 0 "[ . 1]" 1
68 1 9 PHE QD 1 10 ARG H . . 5.440 3.527 3.327 3.866 . 0 0 "[ . 1]" 1
69 1 9 PHE QD 1 12 MET ME . . 4.330 2.708 2.179 3.256 . 0 0 "[ . 1]" 1
70 1 9 PHE QD 1 13 LEU QD . . 4.930 2.700 2.554 2.795 . 0 0 "[ . 1]" 1
71 1 9 PHE QD 1 13 LEU HG . . 4.720 3.591 3.443 4.178 . 0 0 "[ . 1]" 1
72 1 9 PHE QE 1 10 ARG H . . 5.500 5.340 5.147 5.531 0.031 10 0 "[ . 1]" 1
73 1 9 PHE QE 1 12 MET ME . . 4.320 3.284 2.414 3.997 . 0 0 "[ . 1]" 1
74 1 9 PHE QE 1 13 LEU QD . . 5.240 2.150 2.008 2.537 . 0 0 "[ . 1]" 1
75 1 9 PHE QE 1 13 LEU HG . . 5.080 3.635 3.439 4.488 . 0 0 "[ . 1]" 1
76 1 10 ARG H 1 10 ARG QB . . 3.880 2.349 2.048 2.681 . 0 0 "[ . 1]" 1
77 1 10 ARG H 1 10 ARG QD . . 4.310 2.789 2.359 3.915 . 0 0 "[ . 1]" 1
78 1 10 ARG H 1 10 ARG HG2 . . 4.330 3.261 1.935 4.224 . 0 0 "[ . 1]" 1
79 1 10 ARG H 1 10 ARG QG . . 3.760 2.853 1.926 3.791 0.031 7 0 "[ . 1]" 1
80 1 10 ARG H 1 10 ARG HG3 . . 4.330 3.568 2.156 4.360 0.030 7 0 "[ . 1]" 1
81 1 10 ARG H 1 11 GLY H . . 3.690 2.767 2.648 2.806 . 0 0 "[ . 1]" 1
82 1 10 ARG HA 1 13 LEU H . . 4.910 3.567 3.505 3.855 . 0 0 "[ . 1]" 1
83 1 10 ARG HA 1 13 LEU HG . . 5.120 3.321 2.177 3.829 . 0 0 "[ . 1]" 1
84 1 10 ARG QB 1 11 GLY H . . 4.210 2.921 2.582 3.391 . 0 0 "[ . 1]" 1
85 1 10 ARG QD 1 11 GLY H . . 4.720 3.896 2.222 4.619 . 0 0 "[ . 1]" 1
86 1 10 ARG QD 1 13 LEU H . . 5.500 5.318 5.058 5.506 0.006 9 0 "[ . 1]" 1
87 1 10 ARG QG 1 11 GLY H . . 4.590 3.705 1.951 4.655 0.065 9 0 "[ . 1]" 1
88 1 11 GLY H 1 12 MET H . . 4.060 2.686 2.602 2.716 . 0 0 "[ . 1]" 1
89 1 11 GLY H 1 13 LEU QD . . 5.160 4.451 4.087 4.626 . 0 0 "[ . 1]" 1
90 1 11 GLY H 1 13 LEU HG . . 5.160 5.095 4.019 5.235 0.075 2 0 "[ . 1]" 1
91 1 11 GLY QA 1 14 ARG H . . 4.180 3.632 3.324 3.711 . 0 0 "[ . 1]" 1
92 1 11 GLY QA 1 14 ARG QB . . 4.880 2.852 2.303 2.953 . 0 0 "[ . 1]" 1
93 1 11 GLY QA 1 14 ARG QG . . 5.180 4.290 3.697 4.881 . 0 0 "[ . 1]" 1
94 1 11 GLY HA2 1 14 ARG QB . . 4.540 2.887 2.321 2.992 . 0 0 "[ . 1]" 1
95 1 11 GLY HA3 1 14 ARG QB . . 4.540 4.448 3.855 4.540 . 10 0 "[ . 1]" 1
96 1 12 MET H 1 12 MET ME . . 4.500 4.300 4.025 4.522 0.022 9 0 "[ . 1]" 1
97 1 12 MET H 1 12 MET HG2 . . 5.090 4.164 1.943 4.435 . 0 0 "[ . 1]" 1
98 1 12 MET H 1 12 MET QG . . 4.350 3.765 1.918 4.022 . 0 0 "[ . 1]" 1
99 1 12 MET H 1 12 MET HG3 . . 5.090 4.352 2.941 4.614 . 0 0 "[ . 1]" 1
100 1 12 MET H 1 13 LEU H . . 3.790 2.625 2.561 2.755 . 0 0 "[ . 1]" 1
101 1 12 MET H 1 13 LEU QD . . 4.350 4.357 4.284 4.435 0.085 9 0 "[ . 1]" 1
102 1 12 MET H 1 13 LEU HG . . 4.350 4.071 4.023 4.110 . 0 0 "[ . 1]" 1
103 1 12 MET HA 1 12 MET ME . . 5.360 4.440 4.149 4.617 . 0 0 "[ . 1]" 1
104 1 12 MET HA 1 15 LYS H . . 4.880 3.724 3.682 3.862 . 0 0 "[ . 1]" 1
105 1 12 MET QB 1 13 LEU H . . 4.200 2.703 2.603 3.304 . 0 0 "[ . 1]" 1
106 1 12 MET HB2 1 13 LEU H . . 4.800 3.915 3.527 3.982 . 0 0 "[ . 1]" 1
107 1 12 MET HB3 1 13 LEU H . . 4.800 2.807 2.643 3.985 . 0 0 "[ . 1]" 1
108 1 12 MET QG 1 13 LEU H . . 4.850 3.504 1.922 4.050 . 0 0 "[ . 1]" 1
109 1 12 MET QG 1 13 LEU QD . . 5.340 3.913 3.363 4.520 . 0 0 "[ . 1]" 1
110 1 12 MET HG2 1 13 LEU H . . 5.500 3.761 2.864 4.294 . 0 0 "[ . 1]" 1
111 1 12 MET HG2 1 13 LEU QD . . 5.430 4.156 3.644 4.989 . 0 0 "[ . 1]" 1
112 1 12 MET HG3 1 13 LEU H . . 5.500 4.403 1.953 5.020 . 0 0 "[ . 1]" 1
113 1 12 MET HG3 1 13 LEU QD . . 5.430 5.010 3.555 5.414 . 0 0 "[ . 1]" 1
114 1 13 LEU H 1 13 LEU QD . . 3.590 2.967 2.953 2.981 . 0 0 "[ . 1]" 1
115 1 13 LEU H 1 13 LEU HG . . 3.590 2.030 1.990 2.081 . 0 0 "[ . 1]" 1
116 1 13 LEU H 1 14 ARG H . . 3.380 2.721 2.490 2.770 . 0 0 "[ . 1]" 1
117 1 13 LEU H 1 15 LYS H . . 4.110 4.093 4.019 4.278 0.168 9 0 "[ . 1]" 1
118 1 13 LEU HA 1 16 LEU H . . 4.540 3.517 3.320 3.593 . 0 0 "[ . 1]" 1
119 1 13 LEU QD 1 14 ARG H . . 4.860 3.544 2.389 3.717 . 0 0 "[ . 1]" 1
120 1 13 LEU QD 1 16 LEU QB . . 4.310 4.115 4.042 4.345 0.035 9 0 "[ . 1]" 1
121 1 13 LEU HG 1 16 LEU QB . . 5.170 5.184 5.157 5.295 0.125 9 0 "[ . 1]" 1
122 1 14 ARG H 1 14 ARG QD . . 5.200 4.316 4.024 4.493 . 0 0 "[ . 1]" 1
123 1 14 ARG H 1 14 ARG HG2 . . 4.750 3.858 2.601 4.448 . 0 0 "[ . 1]" 1
124 1 14 ARG H 1 14 ARG QG . . 4.000 3.348 2.490 4.017 0.017 9 0 "[ . 1]" 1
125 1 14 ARG H 1 14 ARG HG3 . . 4.750 3.772 2.599 4.634 . 0 0 "[ . 1]" 1
126 1 14 ARG H 1 15 LYS H . . 4.110 2.732 2.699 2.759 . 0 0 "[ . 1]" 1
127 1 14 ARG H 1 15 LYS HA . . 5.330 5.331 5.305 5.355 0.025 9 0 "[ . 1]" 1
128 1 14 ARG QB 1 15 LYS H . . 3.870 2.562 2.500 2.658 . 0 0 "[ . 1]" 1
129 1 14 ARG QG 1 15 LYS H . . 4.360 3.897 3.338 4.351 . 0 0 "[ . 1]" 1
130 1 14 ARG HG2 1 15 LYS H . . 4.980 4.261 3.446 4.981 0.001 8 0 "[ . 1]" 1
131 1 14 ARG HG3 1 15 LYS H . . 4.980 4.642 4.319 4.845 . 0 0 "[ . 1]" 1
132 1 15 LYS H 1 15 LYS QB . . 3.840 2.245 2.165 2.326 . 0 0 "[ . 1]" 1
133 1 15 LYS H 1 16 LEU H . . 5.250 2.588 2.451 2.619 . 0 0 "[ . 1]" 1
134 1 15 LYS QB 1 16 LEU H . . 4.670 2.674 2.606 2.728 . 0 0 "[ . 1]" 1
135 1 15 LYS QB 1 16 LEU HG . . 5.500 4.304 3.796 5.487 . 0 0 "[ . 1]" 1
136 1 16 LEU H 1 16 LEU QD . . 3.710 3.197 2.424 3.449 . 0 0 "[ . 1]" 1
137 1 29 LEU H 1 29 LEU QD . . 5.150 3.686 3.443 3.767 . 0 0 "[ . 1]" 1
138 1 29 LEU H 1 30 VAL H . . 5.350 2.670 2.613 2.738 . 0 0 "[ . 1]" 1
139 1 29 LEU QD 1 68 LEU QD . . 5.340 5.230 5.012 5.362 0.022 6 0 "[ . 1]" 1
140 1 29 LEU QD 1 134 ILE QG . . 5.000 2.384 1.743 3.489 . 0 0 "[ . 1]" 1
141 1 29 LEU QD 1 134 ILE MG . . 4.000 3.587 2.527 4.005 0.005 5 0 "[ . 1]" 1
142 1 30 VAL H 1 31 VAL H . . 5.320 2.799 2.684 2.958 . 0 0 "[ . 1]" 1
143 1 30 VAL H 1 31 VAL QG . . 5.320 4.166 3.740 4.392 . 0 0 "[ . 1]" 1
144 1 30 VAL H 1 71 PHE QR . . 5.500 6.026 5.240 6.432 0.932 8 7 "[*-* .**+ *]" 1
145 1 31 VAL H 1 31 VAL QG . . 4.070 2.166 1.918 2.308 . 0 0 "[ . 1]" 1
146 1 31 VAL HA 1 34 ALA H . . 5.500 3.734 3.447 4.043 . 0 0 "[ . 1]" 1
147 1 31 VAL QG 1 34 ALA H . . 4.750 4.513 4.262 4.752 0.002 2 0 "[ . 1]" 1
148 1 34 ALA H 1 35 LEU H . . 5.020 2.817 2.753 2.877 . 0 0 "[ . 1]" 1
149 1 34 ALA H 1 35 LEU QD . . 5.110 4.545 4.122 5.111 0.001 6 0 "[ . 1]" 1
150 1 34 ALA MB 1 35 LEU H . . 4.640 2.477 2.362 2.653 . 0 0 "[ . 1]" 1
151 1 34 ALA MB 1 35 LEU HA . . 5.140 3.790 3.725 3.829 . 0 0 "[ . 1]" 1
152 1 34 ALA MB 1 35 LEU QD . . 4.890 3.167 2.578 4.198 . 0 0 "[ . 1]" 1
153 1 34 ALA MB 1 36 LEU H . . 4.860 4.561 4.281 4.862 0.002 2 0 "[ . 1]" 1
154 1 35 LEU H 1 36 LEU H . . 5.020 2.701 2.541 2.834 . 0 0 "[ . 1]" 1
155 1 35 LEU QD 1 36 LEU H . . 5.490 3.804 2.923 4.191 . 0 0 "[ . 1]" 1
156 1 36 LEU H 1 37 VAL H . . 5.100 2.866 2.714 2.956 . 0 0 "[ . 1]" 1
157 1 36 LEU QD 1 63 MET ME . . 3.580 2.901 2.047 3.530 . 0 0 "[ . 1]" 1
158 1 37 VAL H 1 38 LEU H . . 5.100 2.838 2.701 2.950 . 0 0 "[ . 1]" 1
159 1 38 LEU H 1 39 ALA H . . 5.500 2.878 2.798 2.948 . 0 0 "[ . 1]" 1
160 1 38 LEU H 1 39 ALA MB . . 4.750 4.448 4.364 4.536 . 0 0 "[ . 1]" 1
161 1 38 LEU QD 1 39 ALA MB . . 4.370 3.740 2.855 4.143 . 0 0 "[ . 1]" 1
162 1 39 ALA H 1 40 GLU H . . 5.500 2.856 2.776 2.927 . 0 0 "[ . 1]" 1
163 1 39 ALA HA 1 42 ILE H . . 4.880 3.779 3.637 3.875 . 0 0 "[ . 1]" 1
164 1 39 ALA MB 1 40 GLU H . . 5.180 2.439 2.278 2.587 . 0 0 "[ . 1]" 1
165 1 39 ALA MB 1 42 ILE H . . 5.370 4.897 4.818 4.955 . 0 0 "[ . 1]" 1
166 1 40 GLU H 1 41 LEU H . . 5.500 2.675 2.633 2.793 . 0 0 "[ . 1]" 1
167 1 40 GLU QB 1 41 LEU H . . 5.500 2.655 2.398 2.722 . 0 0 "[ . 1]" 1
168 1 41 LEU H 1 41 LEU QD . . 4.870 3.617 3.257 3.727 . 0 0 "[ . 1]" 1
169 1 41 LEU H 1 42 ILE H . . 5.330 2.822 2.746 2.913 . 0 0 "[ . 1]" 1
170 1 41 LEU QB 1 42 ILE H . . 5.290 2.210 2.177 2.276 . 0 0 "[ . 1]" 1
171 1 42 ILE H 1 42 ILE MD . . 4.540 3.626 3.540 4.265 . 0 0 "[ . 1]" 1
172 1 42 ILE H 1 42 ILE MG . . 4.300 2.274 2.176 2.328 . 0 0 "[ . 1]" 1
173 1 42 ILE H 1 43 LEU H . . 5.010 2.653 2.612 2.694 . 0 0 "[ . 1]" 1
174 1 42 ILE HA 1 45 LEU H . . 5.500 3.627 3.416 3.956 . 0 0 "[ . 1]" 1
175 1 42 ILE HB 1 43 LEU H . . 5.090 3.793 3.724 3.985 . 0 0 "[ . 1]" 1
176 1 42 ILE MD 1 42 ILE MG . . 2.980 2.065 1.816 2.113 . 0 0 "[ . 1]" 1
177 1 42 ILE MD 1 43 LEU H . . 4.860 3.811 3.484 3.861 . 0 0 "[ . 1]" 1
178 1 42 ILE MD 1 43 LEU QB . . 4.660 4.604 4.358 4.682 0.022 9 0 "[ . 1]" 1
179 1 42 ILE MD 1 43 LEU HG . . 4.740 3.999 3.498 4.759 0.019 1 0 "[ . 1]" 1
180 1 42 ILE QG 1 43 LEU H . . 5.420 2.369 2.112 4.363 . 0 0 "[ . 1]" 1
181 1 42 ILE MG 1 43 LEU H . . 4.660 3.809 2.251 4.027 . 0 0 "[ . 1]" 1
182 1 43 LEU H 1 43 LEU MD1 . . 4.770 3.587 3.196 4.137 . 0 0 "[ . 1]" 1
183 1 43 LEU H 1 43 LEU QD . . 4.060 3.257 2.560 3.520 . 0 0 "[ . 1]" 1
184 1 43 LEU H 1 43 LEU MD2 . . 4.770 4.031 2.584 4.394 . 0 0 "[ . 1]" 1
185 1 43 LEU H 1 43 LEU HG . . 5.010 3.344 2.960 4.049 . 0 0 "[ . 1]" 1
186 1 43 LEU H 1 44 ASP H . . 5.110 2.715 2.477 2.856 . 0 0 "[ . 1]" 1
187 1 43 LEU HA 1 43 LEU MD1 . . 4.570 3.575 2.129 3.816 . 0 0 "[ . 1]" 1
188 1 43 LEU HA 1 43 LEU QD . . 4.020 2.372 1.890 2.829 . 0 0 "[ . 1]" 1
189 1 43 LEU HA 1 43 LEU MD2 . . 4.570 2.438 1.969 2.954 . 0 0 "[ . 1]" 1
190 1 43 LEU HA 1 46 LYS H . . 5.500 3.701 3.436 3.946 . 0 0 "[ . 1]" 1
191 1 43 LEU QD 1 44 ASP H . . 4.380 3.921 3.838 4.100 . 0 0 "[ . 1]" 1
192 1 43 LEU MD1 1 44 ASP H . . 5.450 4.415 4.228 4.688 . 0 0 "[ . 1]" 1
193 1 43 LEU MD2 1 44 ASP H . . 5.450 4.402 4.202 4.608 . 0 0 "[ . 1]" 1
194 1 44 ASP H 1 45 LEU H . . 4.880 2.639 2.479 2.913 . 0 0 "[ . 1]" 1
195 1 44 ASP H 1 46 LYS H . . 5.500 4.096 3.957 4.303 . 0 0 "[ . 1]" 1
196 1 44 ASP QB 1 45 LEU H . . 5.390 2.727 2.472 3.460 . 0 0 "[ . 1]" 1
197 1 44 ASP QB 1 119 LEU QD . . 5.440 5.078 4.195 5.450 0.010 6 0 "[ . 1]" 1
198 1 45 LEU H 1 45 LEU MD1 . . 5.030 3.820 2.413 4.309 . 0 0 "[ . 1]" 1
199 1 45 LEU H 1 45 LEU QD . . 3.780 3.452 2.395 3.727 . 0 0 "[ . 1]" 1
200 1 45 LEU H 1 45 LEU MD2 . . 5.030 4.106 3.743 4.320 . 0 0 "[ . 1]" 1
201 1 45 LEU H 1 46 LYS H . . 4.310 2.663 2.521 2.846 . 0 0 "[ . 1]" 1
202 1 45 LEU HA 1 45 LEU QD . . 4.270 2.532 2.136 3.178 . 0 0 "[ . 1]" 1
203 1 45 LEU QB 1 46 LYS H . . 4.360 2.729 2.498 2.858 . 0 0 "[ . 1]" 1
204 1 45 LEU QD 1 46 LYS H . . 4.250 3.806 2.689 4.186 . 0 0 "[ . 1]" 1
205 1 45 LEU MD1 1 46 LYS H . . 5.500 4.753 4.377 4.936 . 0 0 "[ . 1]" 1
206 1 45 LEU MD2 1 46 LYS H . . 5.500 4.104 2.703 4.876 . 0 0 "[ . 1]" 1
207 1 46 LYS H 1 46 LYS QD . . 5.280 4.137 2.974 4.755 . 0 0 "[ . 1]" 1
208 1 46 LYS H 1 46 LYS QG . . 4.600 3.681 2.881 4.056 . 0 0 "[ . 1]" 1
209 1 46 LYS H 1 47 ILE H . . 3.690 2.579 2.249 2.863 . 0 0 "[ . 1]" 1
210 1 46 LYS H 1 48 ILE H . . 5.500 4.960 4.083 5.590 0.090 9 0 "[ . 1]" 1
211 1 46 LYS HB3 1 47 ILE MD . . 4.560 3.751 1.957 4.821 0.261 8 0 "[ . 1]" 1
212 1 46 LYS QD 1 47 ILE H . . 5.410 4.957 4.525 5.402 . 0 0 "[ . 1]" 1
213 1 47 ILE H 1 47 ILE HB . . 4.090 3.148 2.580 3.772 . 0 0 "[ . 1]" 1
214 1 47 ILE H 1 47 ILE MD . . 4.270 3.042 1.982 4.270 0.000 8 0 "[ . 1]" 1
215 1 47 ILE H 1 47 ILE HG12 . . 5.050 3.381 1.987 4.764 . 0 0 "[ . 1]" 1
216 1 47 ILE H 1 47 ILE HG13 . . 5.050 3.362 2.135 4.398 . 0 0 "[ . 1]" 1
217 1 47 ILE H 1 47 ILE MG . . 4.280 3.513 1.972 4.050 . 0 0 "[ . 1]" 1
218 1 47 ILE H 1 48 ILE H . . 4.340 3.190 2.423 3.881 . 0 0 "[ . 1]" 1
219 1 47 ILE H 1 48 ILE HA . . 5.500 4.855 4.336 5.332 . 0 0 "[ . 1]" 1
220 1 47 ILE H 1 49 GLN H . . 5.240 5.178 4.588 5.426 0.186 7 0 "[ . 1]" 1
221 1 47 ILE HA 1 47 ILE MD . . 4.740 2.984 2.010 4.139 . 0 0 "[ . 1]" 1
222 1 47 ILE HA 1 48 ILE HB . . 5.500 4.848 4.515 5.774 0.274 9 0 "[ . 1]" 1
223 1 47 ILE HA 1 48 ILE MD . . 5.500 4.348 3.231 5.201 . 0 0 "[ . 1]" 1
224 1 47 ILE HA 1 49 GLN H . . 5.500 3.842 3.153 5.436 . 0 0 "[ . 1]" 1
225 1 47 ILE HB 1 48 ILE H . . 4.600 3.905 1.927 4.584 . 0 0 "[ . 1]" 1
226 1 47 ILE MD 1 48 ILE H . . 4.990 4.701 3.732 5.110 0.120 9 0 "[ . 1]" 1
227 1 47 ILE QG 1 48 ILE H . . 4.530 3.999 3.677 4.291 . 0 0 "[ . 1]" 1
228 1 47 ILE HG12 1 48 ILE H . . 5.260 4.822 3.964 5.478 0.218 7 0 "[ . 1]" 1
229 1 47 ILE HG13 1 48 ILE H . . 5.260 4.544 3.802 5.426 0.166 6 0 "[ . 1]" 1
230 1 47 ILE MG 1 56 ALA MB . . 5.000 4.716 3.912 5.008 0.008 5 0 "[ . 1]" 1
231 1 48 ILE H 1 48 ILE HB . . 4.100 3.060 2.539 3.748 . 0 0 "[ . 1]" 1
232 1 48 ILE H 1 48 ILE MD . . 3.880 2.836 1.850 3.905 0.025 5 0 "[ . 1]" 1
233 1 48 ILE H 1 48 ILE HG12 . . 4.400 3.022 1.962 4.318 . 0 0 "[ . 1]" 1
234 1 48 ILE H 1 48 ILE QG . . 3.870 2.579 1.952 3.292 . 0 0 "[ . 1]" 1
235 1 48 ILE H 1 48 ILE HG13 . . 4.400 3.560 2.045 4.436 0.036 10 0 "[ . 1]" 1
236 1 48 ILE H 1 48 ILE MG . . 3.880 3.656 1.900 3.988 0.108 10 0 "[ . 1]" 1
237 1 48 ILE H 1 49 GLN H . . 4.220 2.887 1.895 3.824 . 0 0 "[ . 1]" 1
238 1 48 ILE HA 1 48 ILE MD . . 4.180 2.697 1.962 3.882 . 0 0 "[ . 1]" 1
239 1 48 ILE HA 1 49 GLN QB . . 5.450 5.008 4.393 5.425 . 0 0 "[ . 1]" 1
240 1 48 ILE HA 1 49 GLN QG . . 5.340 4.321 3.732 5.209 . 0 0 "[ . 1]" 1
241 1 48 ILE HB 1 49 GLN H . . 5.400 2.778 1.906 4.302 . 0 0 "[ . 1]" 1
242 1 48 ILE MD 1 49 GLN H . . 4.600 4.155 1.918 4.647 0.047 8 0 "[ . 1]" 1
243 1 48 ILE MD 1 49 GLN QG . . 5.050 4.454 2.128 5.069 0.019 8 0 "[ . 1]" 1
244 1 48 ILE QG 1 49 GLN H . . 4.620 3.861 3.076 4.420 . 0 0 "[ . 1]" 1
245 1 48 ILE QG 1 49 GLN QE . . 4.460 4.362 3.769 4.590 0.130 8 0 "[ . 1]" 1
246 1 48 ILE HG12 1 49 GLN H . . 5.320 4.284 3.140 5.337 0.017 3 0 "[ . 1]" 1
247 1 48 ILE HG13 1 49 GLN H . . 5.500 4.651 4.258 5.339 . 0 0 "[ . 1]" 1
248 1 48 ILE MG 1 49 GLN H . . 3.780 3.570 3.107 3.853 0.073 8 0 "[ . 1]" 1
249 1 48 ILE MG 1 49 GLN HE21 . . 4.480 2.582 1.833 4.017 . 0 0 "[ . 1]" 1
250 1 48 ILE MG 1 49 GLN HE22 . . 4.480 3.569 2.563 4.537 0.057 9 0 "[ . 1]" 1
251 1 48 ILE MG 1 49 GLN QG . . 4.890 2.914 1.906 4.612 . 0 0 "[ . 1]" 1
252 1 49 GLN H 1 49 GLN QB . . 3.600 3.001 2.603 3.448 . 0 0 "[ . 1]" 1
253 1 49 GLN H 1 49 GLN QE . . 5.340 3.763 2.378 4.753 . 0 0 "[ . 1]" 1
254 1 49 GLN H 1 49 GLN QG . . 4.220 2.703 1.924 3.471 . 0 0 "[ . 1]" 1
255 1 49 GLN H 1 50 PRO QD . . 4.930 4.233 3.952 4.350 . 0 0 "[ . 1]" 1
256 1 49 GLN QB 1 49 GLN QE . . 4.070 3.324 2.210 3.744 . 0 0 "[ . 1]" 1
257 1 49 GLN QB 1 50 PRO QD . . 3.720 2.041 1.929 2.935 . 0 0 "[ . 1]" 1
258 1 49 GLN HB2 1 49 GLN HE22 . . 5.500 4.594 3.445 5.365 . 0 0 "[ . 1]" 1
259 1 49 GLN HB2 1 50 PRO QD . . 5.500 3.005 1.957 4.061 . 0 0 "[ . 1]" 1
260 1 49 GLN HB3 1 49 GLN HE22 . . 5.500 4.697 4.248 5.277 . 0 0 "[ . 1]" 1
261 1 49 GLN HB3 1 50 PRO QB . . 5.500 5.276 4.725 6.075 0.575 4 1 "[ +. 1]" 1
262 1 49 GLN HB3 1 50 PRO QD . . 5.500 2.359 1.945 3.131 . 0 0 "[ . 1]" 1
263 1 50 PRO QB 1 51 ASP H . . 4.520 3.571 2.073 3.933 . 0 0 "[ . 1]" 1
264 1 50 PRO QD 1 51 ASP H . . 4.790 4.416 2.602 4.814 0.024 10 0 "[ . 1]" 1
265 1 51 ASP H 1 51 ASP QB . . 3.630 2.779 2.327 3.142 . 0 0 "[ . 1]" 1
266 1 51 ASP H 1 52 LYS H . . 4.180 3.163 2.037 4.319 0.139 8 0 "[ . 1]" 1
267 1 51 ASP H 1 52 LYS HA . . 4.920 4.608 4.027 4.828 . 0 0 "[ . 1]" 1
268 1 51 ASP H 1 52 LYS QE . . 4.820 3.617 1.954 4.823 0.003 8 0 "[ . 1]" 1
269 1 51 ASP HB2 1 52 LYS H . . 5.500 3.625 2.038 4.661 . 0 0 "[ . 1]" 1
270 1 51 ASP HB3 1 52 LYS H . . 5.500 3.650 2.349 4.494 . 0 0 "[ . 1]" 1
271 1 52 LYS H 1 52 LYS QB . . 3.910 2.798 2.193 3.380 . 0 0 "[ . 1]" 1
272 1 52 LYS H 1 52 LYS QE . . 5.500 3.020 1.919 4.276 . 0 0 "[ . 1]" 1
273 1 52 LYS H 1 52 LYS QG . . 3.980 2.908 2.284 3.546 . 0 0 "[ . 1]" 1
274 1 52 LYS H 1 53 ASN H . . 4.180 3.660 2.561 4.335 0.155 8 0 "[ . 1]" 1
275 1 52 LYS QE 1 52 LYS QG . . 3.230 2.234 1.944 2.685 . 0 0 "[ . 1]" 1
276 1 52 LYS QE 1 53 ASN H . . 5.500 4.424 3.039 5.491 . 0 0 "[ . 1]" 1
277 1 52 LYS QE 1 53 ASN HD21 . . 5.500 5.102 4.295 5.508 0.008 10 0 "[ . 1]" 1
278 1 52 LYS QE 1 53 ASN HD22 . . 5.500 4.938 4.145 5.517 0.017 6 0 "[ . 1]" 1
279 1 52 LYS QG 1 53 ASN H . . 5.190 3.680 1.934 4.416 . 0 0 "[ . 1]" 1
280 1 53 ASN H 1 53 ASN HD21 . . 5.260 3.802 2.166 4.834 . 0 0 "[ . 1]" 1
281 1 53 ASN H 1 53 ASN QD . . 4.530 3.461 2.155 4.257 . 0 0 "[ . 1]" 1
282 1 53 ASN H 1 53 ASN HD22 . . 5.260 4.230 3.459 4.726 . 0 0 "[ . 1]" 1
283 1 53 ASN H 1 54 ASN H . . 4.420 3.053 2.611 3.446 . 0 0 "[ . 1]" 1
284 1 53 ASN H 1 119 LEU MD2 . . 5.500 4.487 3.177 5.512 0.012 10 0 "[ . 1]" 1
285 1 53 ASN QB 1 54 ASN H . . 4.660 3.845 3.716 3.908 . 0 0 "[ . 1]" 1
286 1 53 ASN HB2 1 54 ASN H . . 5.500 4.332 4.148 4.615 . 0 0 "[ . 1]" 1
287 1 53 ASN HB3 1 54 ASN H . . 5.500 4.340 4.097 4.558 . 0 0 "[ . 1]" 1
288 1 54 ASN H 1 54 ASN QD . . 5.260 4.074 2.250 4.557 . 0 0 "[ . 1]" 1
289 1 54 ASN H 1 55 TYR H . . 4.950 3.461 2.614 4.351 . 0 0 "[ . 1]" 1
290 1 54 ASN H 1 56 ALA MB . . 4.550 4.142 3.522 4.601 0.051 3 0 "[ . 1]" 1
291 1 54 ASN H 1 57 ALA MB . . 5.070 2.321 1.861 3.184 . 0 0 "[ . 1]" 1
292 1 54 ASN H 1 111 PHE QE . . 4.650 4.699 4.686 4.719 0.069 1 0 "[ . 1]" 1
293 1 54 ASN QB 1 57 ALA MB . . 5.030 4.324 3.668 4.873 . 0 0 "[ . 1]" 1
294 1 54 ASN QD 1 57 ALA MB . . 5.130 4.814 2.349 5.241 0.111 5 0 "[ . 1]" 1
295 1 55 TYR H 1 55 TYR QD . . 4.740 3.196 2.385 3.625 . 0 0 "[ . 1]" 1
296 1 55 TYR H 1 55 TYR QE . . 5.500 4.969 4.494 5.494 . 0 0 "[ . 1]" 1
297 1 55 TYR H 1 56 ALA H . . 3.950 2.735 2.659 2.933 . 0 0 "[ . 1]" 1
298 1 55 TYR H 1 56 ALA MB . . 5.220 4.328 4.190 4.508 . 0 0 "[ . 1]" 1
299 1 55 TYR H 1 57 ALA MB . . 5.500 4.866 4.536 5.354 . 0 0 "[ . 1]" 1
300 1 55 TYR HA 1 58 MET H . . 4.830 3.679 3.454 3.861 . 0 0 "[ . 1]" 1
301 1 55 TYR QB 1 56 ALA H . . 4.970 2.423 2.160 2.803 . 0 0 "[ . 1]" 1
302 1 55 TYR QB 1 56 ALA MB . . 5.170 3.722 3.547 3.951 . 0 0 "[ . 1]" 1
303 1 55 TYR QB 1 58 MET H . . 5.320 4.956 4.767 5.285 . 0 0 "[ . 1]" 1
304 1 55 TYR QB 1 58 MET ME . . 4.880 4.644 4.170 4.889 0.009 10 0 "[ . 1]" 1
305 1 55 TYR QD 1 56 ALA H . . 5.500 4.356 4.140 4.681 . 0 0 "[ . 1]" 1
306 1 55 TYR QD 1 56 ALA MB . . 5.500 5.310 5.100 5.494 . 0 0 "[ . 1]" 1
307 1 55 TYR QD 1 58 MET H . . 5.500 5.485 5.379 5.536 0.036 7 0 "[ . 1]" 1
308 1 55 TYR QD 1 58 MET ME . . 4.550 3.192 2.358 4.203 . 0 0 "[ . 1]" 1
309 1 55 TYR QD 1 59 VAL QG . . 4.820 4.073 2.308 4.796 . 0 0 "[ . 1]" 1
310 1 55 TYR QE 1 58 MET ME . . 4.390 3.610 2.328 4.376 . 0 0 "[ . 1]" 1
311 1 56 ALA H 1 57 ALA H . . 4.620 2.833 2.744 2.921 . 0 0 "[ . 1]" 1
312 1 56 ALA H 1 57 ALA MB . . 5.000 4.430 4.298 4.560 . 0 0 "[ . 1]" 1
313 1 56 ALA H 1 58 MET H . . 5.160 4.179 3.919 4.428 . 0 0 "[ . 1]" 1
314 1 56 ALA HA 1 59 VAL H . . 5.220 3.811 3.677 4.017 . 0 0 "[ . 1]" 1
315 1 56 ALA MB 1 57 ALA H . . 4.260 2.368 2.299 2.564 . 0 0 "[ . 1]" 1
316 1 56 ALA MB 1 57 ALA MB . . 4.910 3.610 3.504 3.688 . 0 0 "[ . 1]" 1
317 1 56 ALA MB 1 58 MET H . . 5.410 4.460 4.286 4.699 . 0 0 "[ . 1]" 1
318 1 56 ALA MB 1 119 LEU MD1 . . 5.500 5.211 4.256 5.768 0.268 8 0 "[ . 1]" 1
319 1 57 ALA H 1 58 MET H . . 4.510 2.734 2.576 2.833 . 0 0 "[ . 1]" 1
320 1 57 ALA H 1 119 LEU QD . . 5.420 4.538 4.185 4.921 . 0 0 "[ . 1]" 1
321 1 57 ALA MB 1 58 MET H . . 4.400 2.559 2.349 2.803 . 0 0 "[ . 1]" 1
322 1 57 ALA MB 1 58 MET QG . . 5.340 5.328 5.250 5.387 0.047 10 0 "[ . 1]" 1
323 1 57 ALA MB 1 119 LEU QD . . 4.810 2.383 2.093 2.616 . 0 0 "[ . 1]" 1
324 1 58 MET H 1 58 MET ME . . 4.910 4.825 4.624 4.969 0.059 7 0 "[ . 1]" 1
325 1 58 MET H 1 58 MET HG2 . . 5.240 4.319 4.082 4.473 . 0 0 "[ . 1]" 1
326 1 58 MET H 1 58 MET QG . . 4.550 3.880 3.756 3.943 . 0 0 "[ . 1]" 1
327 1 58 MET H 1 58 MET HG3 . . 5.240 4.397 4.372 4.485 . 0 0 "[ . 1]" 1
328 1 58 MET H 1 59 VAL H . . 4.670 2.850 2.765 2.940 . 0 0 "[ . 1]" 1
329 1 58 MET H 1 59 VAL QG . . 5.500 4.272 3.671 4.530 . 0 0 "[ . 1]" 1
330 1 58 MET H 1 60 PHE H . . 5.400 4.264 3.817 4.475 . 0 0 "[ . 1]" 1
331 1 58 MET H 1 119 LEU QD . . 5.430 5.493 5.463 5.529 0.099 9 0 "[ . 1]" 1
332 1 58 MET HA 1 58 MET ME . . 5.000 4.753 4.558 4.949 . 0 0 "[ . 1]" 1
333 1 58 MET QB 1 59 VAL H . . 4.690 2.457 2.378 2.575 . 0 0 "[ . 1]" 1
334 1 58 MET QB 1 59 VAL QG . . 4.550 3.379 3.113 3.928 . 0 0 "[ . 1]" 1
335 1 58 MET QB 1 60 PHE H . . 5.040 4.799 4.503 4.984 . 0 0 "[ . 1]" 1
336 1 58 MET ME 1 59 VAL H . . 4.930 4.480 3.997 4.900 . 0 0 "[ . 1]" 1
337 1 58 MET ME 1 59 VAL QG . . 4.240 3.838 2.988 4.249 0.009 6 0 "[ . 1]" 1
338 1 58 MET ME 1 62 TYR QD . . 4.760 4.730 4.557 4.811 0.051 7 0 "[ . 1]" 1
339 1 58 MET ME 1 62 TYR QE . . 4.870 4.377 3.775 4.870 0.000 1 0 "[ . 1]" 1
340 1 58 MET QG 1 59 VAL H . . 4.960 2.933 2.587 3.145 . 0 0 "[ . 1]" 1
341 1 58 MET QG 1 59 VAL HB . . 5.340 4.648 3.879 4.914 . 0 0 "[ . 1]" 1
342 1 58 MET QG 1 59 VAL QG . . 5.240 2.904 2.159 4.021 . 0 0 "[ . 1]" 1
343 1 58 MET QG 1 62 TYR QD . . 4.530 2.650 1.978 3.649 . 0 0 "[ . 1]" 1
344 1 58 MET HG2 1 59 VAL H . . 5.500 3.124 2.671 3.496 . 0 0 "[ . 1]" 1
345 1 58 MET HG2 1 59 VAL HB . . 5.500 4.986 3.963 5.426 . 0 0 "[ . 1]" 1
346 1 58 MET HG2 1 59 VAL QG . . 5.500 2.999 2.184 4.192 . 0 0 "[ . 1]" 1
347 1 58 MET HG2 1 62 TYR QD . . 5.240 3.991 3.195 4.696 . 0 0 "[ . 1]" 1
348 1 58 MET HG2 1 62 TYR QE . . 4.910 4.612 3.533 4.926 0.016 6 0 "[ . 1]" 1
349 1 58 MET HG3 1 59 VAL H . . 5.500 3.608 3.462 4.157 . 0 0 "[ . 1]" 1
350 1 58 MET HG3 1 59 VAL HB . . 5.500 5.621 5.525 5.666 0.166 7 0 "[ . 1]" 1
351 1 58 MET HG3 1 59 VAL QG . . 5.500 3.927 3.390 5.170 . 0 0 "[ . 1]" 1
352 1 58 MET HG3 1 62 TYR QD . . 5.240 2.710 1.997 3.910 . 0 0 "[ . 1]" 1
353 1 58 MET HG3 1 62 TYR QE . . 4.910 3.486 2.572 4.009 . 0 0 "[ . 1]" 1
354 1 59 VAL H 1 59 VAL QG . . 4.220 2.215 1.953 2.341 . 0 0 "[ . 1]" 1
355 1 59 VAL H 1 60 PHE H . . 4.780 2.780 2.563 2.977 . 0 0 "[ . 1]" 1
356 1 59 VAL QG 1 60 PHE H . . 5.010 2.810 2.181 3.102 . 0 0 "[ . 1]" 1
357 1 59 VAL QG 1 62 TYR QD . . 4.870 4.517 3.867 4.859 . 0 0 "[ . 1]" 1
358 1 60 PHE H 1 61 HIS H . . 5.110 2.828 2.696 2.903 . 0 0 "[ . 1]" 1
359 1 60 PHE QR 1 122 LEU QD . . 5.500 4.405 3.155 5.366 . 0 0 "[ . 1]" 1
360 1 61 HIS H 1 62 TYR H . . 5.110 2.757 2.614 2.860 . 0 0 "[ . 1]" 1
361 1 62 TYR H 1 62 TYR QD . . 5.330 2.914 2.232 3.441 . 0 0 "[ . 1]" 1
362 1 62 TYR H 1 62 TYR QE . . 5.500 5.026 4.503 5.435 . 0 0 "[ . 1]" 1
363 1 62 TYR QD 1 107 ILE MD . . 5.390 5.391 5.222 5.453 0.063 7 0 "[ . 1]" 1
364 1 62 TYR QD 1 107 ILE MG . . 4.570 4.017 3.315 4.470 . 0 0 "[ . 1]" 1
365 1 68 LEU QD 1 99 VAL QG . . 5.340 3.631 2.913 4.351 . 0 0 "[ . 1]" 1
366 1 68 LEU QD 1 124 LEU QD . . 5.410 5.516 5.445 5.652 0.242 7 0 "[ . 1]" 1
367 1 68 LEU QD 1 134 ILE MD . . 5.040 5.108 5.060 5.294 0.254 5 0 "[ . 1]" 1
368 1 69 VAL QG 1 72 MET ME . . 5.500 5.030 4.232 5.520 0.020 2 0 "[ . 1]" 1
369 1 69 VAL QG 1 72 MET QG . . 5.500 4.337 3.795 5.003 . 0 0 "[ . 1]" 1
370 1 69 VAL QG 1 73 MET ME . . 4.540 2.854 2.283 3.706 . 0 0 "[ . 1]" 1
371 1 69 VAL QG 1 99 VAL QG . . 3.880 2.365 1.634 3.891 0.011 5 0 "[ . 1]" 1
372 1 71 PHE H 1 72 MET H . . 4.120 2.789 2.691 2.882 . 0 0 "[ . 1]" 1
373 1 71 PHE QR 1 72 MET ME . . 4.940 3.634 2.462 4.905 . 0 0 "[ . 1]" 1
374 1 71 PHE QR 1 133 ILE MG . . 4.000 3.198 1.845 4.031 0.031 1 0 "[ . 1]" 1
375 1 72 MET H 1 72 MET ME . . 5.500 3.334 2.354 4.787 . 0 0 "[ . 1]" 1
376 1 72 MET HA 1 72 MET ME . . 5.500 2.516 1.969 3.627 . 0 0 "[ . 1]" 1
377 1 72 MET ME 1 133 ILE MG . . 4.000 3.210 2.223 3.774 . 0 0 "[ . 1]" 1
378 1 73 MET ME 1 96 ALA MB . . 5.000 4.316 2.941 5.004 0.004 6 0 "[ . 1]" 1
379 1 92 GLU H 1 93 ILE H . . 3.900 2.790 2.645 2.932 . 0 0 "[ . 1]" 1
380 1 93 ILE H 1 94 LEU H . . 4.170 2.726 2.425 2.969 . 0 0 "[ . 1]" 1
381 1 94 LEU H 1 94 LEU MD1 . . 5.390 4.262 4.134 4.309 . 0 0 "[ . 1]" 1
382 1 94 LEU H 1 94 LEU QD . . 5.200 3.624 3.602 3.657 . 0 0 "[ . 1]" 1
383 1 94 LEU H 1 94 LEU MD2 . . 5.390 3.926 3.862 4.024 . 0 0 "[ . 1]" 1
384 1 94 LEU H 1 94 LEU HG . . 5.200 4.503 4.480 4.586 . 0 0 "[ . 1]" 1
385 1 94 LEU H 1 95 ASP H . . 3.380 2.895 2.740 3.019 . 0 0 "[ . 1]" 1
386 1 94 LEU QD 1 98 VAL QG . . 4.370 1.991 1.799 2.438 . 0 0 "[ . 1]" 1
387 1 94 LEU QD 1 99 VAL QG . . 4.720 4.760 4.711 4.809 0.089 5 0 "[ . 1]" 1
388 1 94 LEU MD1 1 98 VAL QG . . 5.500 3.045 1.914 3.546 . 0 0 "[ . 1]" 1
389 1 94 LEU MD2 1 98 VAL QG . . 5.500 2.141 1.880 3.413 . 0 0 "[ . 1]" 1
390 1 95 ASP H 1 96 ALA H . . 4.980 2.897 2.853 2.930 . 0 0 "[ . 1]" 1
391 1 96 ALA H 1 97 VAL H . . 5.250 2.887 2.733 2.961 . 0 0 "[ . 1]" 1
392 1 96 ALA H 1 99 VAL QG . . 4.640 4.090 3.694 4.473 . 0 0 "[ . 1]" 1
393 1 96 ALA HA 1 97 VAL QG . . 4.790 4.737 4.684 4.790 . 0 0 "[ . 1]" 1
394 1 96 ALA MB 1 97 VAL H . . 5.230 2.455 2.199 2.758 . 0 0 "[ . 1]" 1
395 1 96 ALA MB 1 97 VAL QG . . 4.550 3.015 2.894 3.174 . 0 0 "[ . 1]" 1
396 1 97 VAL H 1 97 VAL QG . . 4.190 2.136 2.020 2.301 . 0 0 "[ . 1]" 1
397 1 97 VAL H 1 100 VAL QG . . 4.670 3.948 3.724 4.160 . 0 0 "[ . 1]" 1
398 1 97 VAL QG 1 100 VAL H . . 4.480 4.394 4.168 4.557 0.077 6 0 "[ . 1]" 1
399 1 97 VAL QG 1 100 VAL QG . . 3.060 2.957 2.673 3.196 0.136 5 0 "[ . 1]" 1
400 1 98 VAL H 1 98 VAL QG . . 4.250 2.139 2.006 2.334 . 0 0 "[ . 1]" 1
401 1 99 VAL HA 1 100 VAL QG . . 5.160 4.723 4.373 4.837 . 0 0 "[ . 1]" 1
402 1 99 VAL QG 1 100 VAL H . . 4.640 2.700 2.043 3.300 . 0 0 "[ . 1]" 1
403 1 99 VAL QG 1 101 VAL H . . 4.740 4.483 4.091 4.763 0.023 1 0 "[ . 1]" 1
404 1 100 VAL H 1 101 VAL H . . 5.350 2.716 2.573 2.832 . 0 0 "[ . 1]" 1
405 1 100 VAL H 1 101 VAL QG . . 4.320 3.991 3.522 4.222 . 0 0 "[ . 1]" 1
406 1 100 VAL HA 1 101 VAL QG . . 5.000 4.733 4.437 4.859 . 0 0 "[ . 1]" 1
407 1 100 VAL QG 1 101 VAL H . . 4.340 2.481 1.916 3.157 . 0 0 "[ . 1]" 1
408 1 100 VAL QG 1 101 VAL HA . . 4.570 3.179 2.982 3.483 . 0 0 "[ . 1]" 1
409 1 100 VAL QG 1 101 VAL QG . . 3.030 2.803 2.114 3.114 0.084 4 0 "[ . 1]" 1
410 1 100 VAL QG 1 102 SER H . . 5.290 4.265 3.860 4.644 . 0 0 "[ . 1]" 1
411 1 101 VAL H 1 101 VAL QG . . 4.230 2.136 1.817 2.286 . 0 0 "[ . 1]" 1
412 1 101 VAL H 1 102 SER H . . 5.470 2.663 2.558 2.749 . 0 0 "[ . 1]" 1
413 1 101 VAL QG 1 102 SER H . . 5.040 2.737 2.015 3.327 . 0 0 "[ . 1]" 1
414 1 102 SER H 1 103 PHE H . . 4.740 2.699 2.548 2.804 . 0 0 "[ . 1]" 1
415 1 103 PHE H 1 103 PHE QR . . 5.500 3.901 2.076 4.119 . 0 0 "[ . 1]" 1
416 1 103 PHE H 1 104 ILE H . . 5.440 2.850 2.742 2.966 . 0 0 "[ . 1]" 1
417 1 103 PHE QR 1 104 ILE MG . . 4.700 4.573 3.856 5.046 0.346 6 0 "[ . 1]" 1
418 1 104 ILE H 1 104 ILE MD . . 4.800 3.766 3.364 4.405 . 0 0 "[ . 1]" 1
419 1 104 ILE H 1 104 ILE MG . . 4.800 3.052 1.887 3.763 . 0 0 "[ . 1]" 1
420 1 104 ILE H 1 105 LEU H . . 4.990 2.782 2.680 2.894 . 0 0 "[ . 1]" 1
421 1 104 ILE MG 1 105 LEU H . . 4.400 2.646 1.866 3.160 . 0 0 "[ . 1]" 1
422 1 104 ILE MG 1 106 ASP H . . 4.710 4.535 4.022 4.824 0.114 10 0 "[ . 1]" 1
423 1 104 ILE MG 1 107 ILE H . . 5.390 5.043 4.850 5.301 . 0 0 "[ . 1]" 1
424 1 104 ILE MG 1 107 ILE MD . . 4.950 3.564 2.967 4.326 . 0 0 "[ . 1]" 1
425 1 104 ILE MG 1 108 VAL QG . . 4.050 2.583 1.908 3.595 . 0 0 "[ . 1]" 1
426 1 105 LEU H 1 105 LEU QD . . 4.400 3.320 2.432 3.697 . 0 0 "[ . 1]" 1
427 1 105 LEU H 1 106 ASP H . . 5.390 2.712 2.545 2.785 . 0 0 "[ . 1]" 1
428 1 105 LEU QD 1 106 ASP H . . 4.720 4.045 3.780 4.188 . 0 0 "[ . 1]" 1
429 1 106 ASP H 1 107 ILE H . . 5.250 2.823 2.638 2.913 . 0 0 "[ . 1]" 1
430 1 106 ASP H 1 108 VAL QG . . 5.290 4.660 3.666 4.961 . 0 0 "[ . 1]" 1
431 1 106 ASP H 1 122 LEU QD . . 5.500 5.480 5.299 5.565 0.065 7 0 "[ . 1]" 1
432 1 106 ASP H 1 124 LEU QD . . 5.500 5.669 5.566 5.823 0.323 10 0 "[ . 1]" 1
433 1 106 ASP H 1 125 LEU QD . . 5.000 3.784 2.786 5.024 0.024 8 0 "[ . 1]" 1
434 1 107 ILE H 1 107 ILE MD . . 5.200 3.538 3.442 3.689 . 0 0 "[ . 1]" 1
435 1 107 ILE H 1 107 ILE MG . . 4.480 2.362 2.112 2.498 . 0 0 "[ . 1]" 1
436 1 107 ILE H 1 108 VAL H . . 5.070 2.699 2.641 2.751 . 0 0 "[ . 1]" 1
437 1 107 ILE H 1 108 VAL QG . . 4.960 4.236 3.601 4.538 . 0 0 "[ . 1]" 1
438 1 107 ILE MD 1 107 ILE MG . . 3.670 2.025 1.910 2.129 . 0 0 "[ . 1]" 1
439 1 107 ILE MD 1 108 VAL H . . 5.500 3.720 3.605 3.853 . 0 0 "[ . 1]" 1
440 1 107 ILE MD 1 110 LEU QD . . 5.500 5.292 4.791 5.550 0.050 6 0 "[ . 1]" 1
441 1 107 ILE MD 1 111 PHE QD . . 5.500 4.547 4.006 4.808 . 0 0 "[ . 1]" 1
442 1 107 ILE MD 1 111 PHE QE . . 5.170 3.466 2.769 3.855 . 0 0 "[ . 1]" 1
443 1 107 ILE MG 1 108 VAL QG . . 4.500 4.551 4.197 4.703 0.203 8 0 "[ . 1]" 1
444 1 108 VAL H 1 108 VAL QG . . 4.240 2.315 1.915 2.651 . 0 0 "[ . 1]" 1
445 1 108 VAL H 1 109 LEU H . . 5.070 2.785 2.616 2.902 . 0 0 "[ . 1]" 1
446 1 108 VAL QG 1 109 LEU H . . 4.970 2.763 2.053 3.193 . 0 0 "[ . 1]" 1
447 1 108 VAL QG 1 112 GLN H . . 4.630 4.239 3.807 4.752 0.122 3 0 "[ . 1]" 1
448 1 109 LEU H 1 109 LEU QD . . 4.760 2.910 2.263 3.379 . 0 0 "[ . 1]" 1
449 1 109 LEU H 1 110 LEU H . . 4.540 2.562 2.446 2.653 . 0 0 "[ . 1]" 1
450 1 109 LEU QD 1 110 LEU H . . 4.840 4.134 3.933 4.243 . 0 0 "[ . 1]" 1
451 1 109 LEU QD 1 118 ALA MB . . 5.000 3.837 2.504 5.015 0.015 3 0 "[ . 1]" 1
452 1 110 LEU H 1 110 LEU QD . . 4.840 3.689 3.589 3.757 . 0 0 "[ . 1]" 1
453 1 110 LEU H 1 111 PHE H . . 4.540 2.720 2.464 2.853 . 0 0 "[ . 1]" 1
454 1 110 LEU H 1 112 GLN H . . 5.200 3.832 3.735 3.994 . 0 0 "[ . 1]" 1
455 1 110 LEU QD 1 111 PHE H . . 4.950 3.451 2.750 3.762 . 0 0 "[ . 1]" 1
456 1 110 LEU QD 1 112 GLN H . . 5.130 4.876 4.343 5.155 0.025 8 0 "[ . 1]" 1
457 1 111 PHE H 1 111 PHE QD . . 4.640 3.074 2.695 3.367 . 0 0 "[ . 1]" 1
458 1 111 PHE H 1 111 PHE QE . . 5.500 4.438 4.204 4.781 . 0 0 "[ . 1]" 1
459 1 111 PHE H 1 112 GLN H . . 4.590 2.506 2.371 2.654 . 0 0 "[ . 1]" 1
460 1 111 PHE QD 1 112 GLN H . . 4.590 4.428 4.215 4.666 0.076 1 0 "[ . 1]" 1
461 1 111 PHE QD 1 112 GLN QB . . 5.340 5.471 5.350 5.615 0.275 1 0 "[ . 1]" 1
462 1 112 GLN H 1 112 GLN HG2 . . 5.500 4.436 4.019 5.100 . 0 0 "[ . 1]" 1
463 1 112 GLN H 1 112 GLN HG3 . . 5.500 4.551 4.215 4.855 . 0 0 "[ . 1]" 1
464 1 112 GLN H 1 113 GLU H . . 5.190 3.848 2.662 4.542 . 0 0 "[ . 1]" 1
465 1 112 GLN HA 1 112 GLN HE21 . . 5.090 3.857 2.931 4.749 . 0 0 "[ . 1]" 1
466 1 112 GLN HA 1 112 GLN QE . . 4.440 3.633 2.818 4.352 . 0 0 "[ . 1]" 1
467 1 112 GLN HA 1 112 GLN HE22 . . 5.090 4.516 3.392 5.115 0.025 6 0 "[ . 1]" 1
468 1 112 GLN QB 1 113 GLU H . . 4.260 2.393 1.904 3.933 . 0 0 "[ . 1]" 1
469 1 112 GLN QB 1 113 GLU QG . . 4.610 4.374 3.719 4.653 0.043 10 0 "[ . 1]" 1
470 1 112 GLN QB 1 115 GLN H . . 5.500 5.330 4.133 5.687 0.187 9 0 "[ . 1]" 1
471 1 112 GLN HE21 1 113 GLU H . . 5.410 3.952 2.563 4.981 . 0 0 "[ . 1]" 1
472 1 112 GLN HE22 1 113 GLU H . . 5.410 4.529 3.141 5.444 0.034 8 0 "[ . 1]" 1
473 1 112 GLN QG 1 113 GLU H . . 4.370 2.951 1.910 4.392 0.022 4 0 "[ . 1]" 1
474 1 112 GLN HG2 1 113 GLU H . . 5.500 3.675 2.737 4.816 . 0 0 "[ . 1]" 1
475 1 112 GLN HG3 1 113 GLU H . . 5.500 3.415 1.921 5.067 . 0 0 "[ . 1]" 1
476 1 113 GLU H 1 113 GLU QG . . 4.540 3.338 2.465 3.998 . 0 0 "[ . 1]" 1
477 1 113 GLU H 1 114 HIS H . . 5.140 3.362 1.887 4.628 . 0 0 "[ . 1]" 1
478 1 113 GLU H 1 115 GLN H . . 5.100 4.722 4.078 5.244 0.144 8 0 "[ . 1]" 1
479 1 114 HIS H 1 115 GLN H . . 5.350 2.799 1.875 3.568 . 0 0 "[ . 1]" 1
480 1 115 GLN H 1 116 PHE H . . 5.210 4.396 3.913 4.626 . 0 0 "[ . 1]" 1
481 1 115 GLN QB 1 116 PHE H . . 5.000 2.813 1.991 3.760 . 0 0 "[ . 1]" 1
482 1 115 GLN QE 1 116 PHE H . . 4.390 4.009 3.494 4.397 0.007 10 0 "[ . 1]" 1
483 1 115 GLN HE21 1 116 PHE H . . 5.500 4.265 3.588 4.930 . 0 0 "[ . 1]" 1
484 1 115 GLN HE22 1 116 PHE H . . 5.500 5.017 4.261 5.514 0.014 10 0 "[ . 1]" 1
485 1 115 GLN QG 1 116 PHE H . . 5.350 3.611 2.226 4.753 . 0 0 "[ . 1]" 1
486 1 116 PHE H 1 116 PHE QR . . 4.620 3.611 2.125 4.292 . 0 0 "[ . 1]" 1
487 1 116 PHE H 1 117 GLU H . . 5.500 3.241 2.631 4.516 . 0 0 "[ . 1]" 1
488 1 116 PHE H 1 119 LEU MD1 . . 5.500 5.414 5.214 5.545 0.045 9 0 "[ . 1]" 1
489 1 116 PHE H 1 119 LEU QD . . 5.440 4.801 4.495 4.954 . 0 0 "[ . 1]" 1
490 1 116 PHE H 1 119 LEU MD2 . . 5.500 5.390 4.783 5.592 0.092 4 0 "[ . 1]" 1
491 1 116 PHE QR 1 117 GLU H . . 5.500 3.744 2.859 4.515 . 0 0 "[ . 1]" 1
492 1 116 PHE QR 1 119 LEU H . . 5.080 4.935 4.284 5.190 0.110 7 0 "[ . 1]" 1
493 1 116 PHE QR 1 119 LEU MD1 . . 5.460 3.912 2.562 5.545 0.085 5 0 "[ . 1]" 1
494 1 116 PHE QR 1 119 LEU QD . . 4.770 3.435 2.368 4.674 . 0 0 "[ . 1]" 1
495 1 116 PHE QR 1 119 LEU MD2 . . 5.460 4.513 2.436 5.563 0.103 3 0 "[ . 1]" 1
496 1 117 GLU H 1 118 ALA H . . 5.370 2.660 1.898 3.023 . 0 0 "[ . 1]" 1
497 1 118 ALA H 1 119 LEU H . . 5.370 2.630 1.982 3.131 . 0 0 "[ . 1]" 1
498 1 119 LEU H 1 119 LEU MD1 . . 5.160 3.048 1.985 3.702 . 0 0 "[ . 1]" 1
499 1 119 LEU H 1 119 LEU QD . . 4.540 2.382 1.830 2.969 . 0 0 "[ . 1]" 1
500 1 119 LEU H 1 119 LEU MD2 . . 5.160 2.890 1.929 3.798 . 0 0 "[ . 1]" 1
501 1 119 LEU H 1 119 LEU HG . . 5.500 2.824 1.947 4.183 . 0 0 "[ . 1]" 1
502 1 119 LEU H 1 120 GLY H . . 4.320 2.773 2.485 2.855 . 0 0 "[ . 1]" 1
503 1 119 LEU QB 1 120 GLY H . . 5.110 2.693 2.648 2.791 . 0 0 "[ . 1]" 1
504 1 119 LEU QD 1 120 GLY H . . 5.110 3.938 3.360 4.128 . 0 0 "[ . 1]" 1
505 1 119 LEU QD 1 123 ILE MD . . 4.770 3.783 3.399 4.012 . 0 0 "[ . 1]" 1
506 1 120 GLY H 1 121 LEU H . . 4.520 2.901 2.849 2.953 . 0 0 "[ . 1]" 1
507 1 120 GLY H 1 121 LEU QD . . 4.540 4.149 3.726 4.585 0.045 10 0 "[ . 1]" 1
508 1 121 LEU H 1 121 LEU QD . . 4.260 2.318 1.953 2.879 . 0 0 "[ . 1]" 1
509 1 121 LEU H 1 121 LEU HG . . 4.400 3.619 2.025 4.276 . 0 0 "[ . 1]" 1
510 1 121 LEU H 1 122 LEU H . . 4.790 2.812 2.724 2.928 . 0 0 "[ . 1]" 1
511 1 121 LEU QB 1 122 LEU H . . 4.820 2.590 2.523 2.704 . 0 0 "[ . 1]" 1
512 1 121 LEU QD 1 122 LEU H . . 4.740 3.867 3.775 3.967 . 0 0 "[ . 1]" 1
513 1 122 LEU H 1 122 LEU QD . . 5.110 3.459 3.289 3.684 . 0 0 "[ . 1]" 1
514 1 122 LEU H 1 122 LEU HG . . 5.240 4.529 4.458 4.588 . 0 0 "[ . 1]" 1
515 1 122 LEU H 1 123 ILE H . . 4.780 2.638 2.610 2.674 . 0 0 "[ . 1]" 1
516 1 122 LEU H 1 125 LEU QD . . 4.490 4.226 3.809 4.633 0.143 10 0 "[ . 1]" 1
517 1 122 LEU QD 1 123 ILE H . . 5.130 3.594 3.115 4.083 . 0 0 "[ . 1]" 1
518 1 122 LEU QD 1 123 ILE MD . . 4.300 3.690 2.354 4.341 0.041 10 0 "[ . 1]" 1
519 1 122 LEU QD 1 125 LEU H . . 5.500 4.435 4.122 5.095 . 0 0 "[ . 1]" 1
520 1 122 LEU QD 1 125 LEU QD . . 3.760 2.914 2.354 3.877 0.117 8 0 "[ . 1]" 1
521 1 123 ILE H 1 123 ILE MD . . 4.980 2.595 2.386 3.179 . 0 0 "[ . 1]" 1
522 1 123 ILE H 1 123 ILE MG . . 4.670 3.746 3.708 3.764 . 0 0 "[ . 1]" 1
523 1 123 ILE H 1 124 LEU H . . 5.500 2.913 2.830 2.987 . 0 0 "[ . 1]" 1
524 1 123 ILE MD 1 124 LEU H . . 5.480 4.162 3.898 4.365 . 0 0 "[ . 1]" 1
525 1 123 ILE MD 1 124 LEU HG . . 5.500 5.361 5.024 5.604 0.104 5 0 "[ . 1]" 1
526 1 123 ILE MG 1 124 LEU H . . 4.620 3.022 2.523 3.317 . 0 0 "[ . 1]" 1
527 1 124 LEU H 1 124 LEU QD . . 4.580 2.744 2.516 2.879 . 0 0 "[ . 1]" 1
528 1 124 LEU H 1 124 LEU HG . . 4.850 1.929 1.905 1.980 . 0 0 "[ . 1]" 1
529 1 124 LEU H 1 125 LEU H . . 5.320 2.756 2.652 2.791 . 0 0 "[ . 1]" 1
530 1 124 LEU HA 1 124 LEU QD . . 4.240 3.430 3.409 3.460 . 0 0 "[ . 1]" 1
531 1 124 LEU QB 1 125 LEU H . . 4.940 3.305 3.222 3.419 . 0 0 "[ . 1]" 1
532 1 124 LEU QD 1 125 LEU H . . 4.650 2.310 2.049 2.679 . 0 0 "[ . 1]" 1
533 1 124 LEU HG 1 125 LEU H . . 5.500 2.259 2.175 2.415 . 0 0 "[ . 1]" 1
534 1 125 LEU H 1 125 LEU QD . . 4.640 2.869 2.310 3.577 . 0 0 "[ . 1]" 1
535 1 125 LEU H 1 125 LEU HG . . 4.940 4.040 3.433 4.369 . 0 0 "[ . 1]" 1
536 1 125 LEU H 1 126 ARG H . . 5.080 2.948 2.731 3.034 . 0 0 "[ . 1]" 1
537 1 125 LEU HA 1 125 LEU QD . . 4.240 2.297 1.917 2.928 . 0 0 "[ . 1]" 1
538 1 125 LEU QB 1 126 ARG H . . 5.260 2.359 2.281 2.559 . 0 0 "[ . 1]" 1
539 1 125 LEU QD 1 126 ARG H . . 5.220 3.810 3.718 3.898 . 0 0 "[ . 1]" 1
540 1 125 LEU QD 1 128 TRP HZ2 . . 4.720 4.475 3.033 4.976 0.256 5 0 "[ . 1]" 1
541 1 134 ILE H 1 134 ILE MD . . 5.030 2.308 1.894 3.415 . 0 0 "[ . 1]" 1
542 1 134 ILE H 1 134 ILE QG . . 4.790 2.797 1.997 3.379 . 0 0 "[ . 1]" 1
543 1 134 ILE H 1 134 ILE MG . . 4.150 3.746 3.702 3.767 . 0 0 "[ . 1]" 1
544 1 134 ILE H 1 135 ASN H . . 4.670 2.948 2.838 3.017 . 0 0 "[ . 1]" 1
545 1 134 ILE H 1 136 GLY H . . 5.360 4.022 3.854 4.241 . 0 0 "[ . 1]" 1
546 1 134 ILE HB 1 135 ASN H . . 5.230 2.330 2.219 2.798 . 0 0 "[ . 1]" 1
547 1 134 ILE HB 1 136 GLY H . . 5.500 4.710 4.597 5.118 . 0 0 "[ . 1]" 1
548 1 134 ILE MD 1 134 ILE MG . . 3.580 2.899 2.012 3.256 . 0 0 "[ . 1]" 1
549 1 134 ILE MD 1 135 ASN H . . 5.250 3.906 3.766 4.212 . 0 0 "[ . 1]" 1
550 1 134 ILE MG 1 135 ASN H . . 4.710 2.854 2.773 3.060 . 0 0 "[ . 1]" 1
551 1 134 ILE MG 1 136 GLY H . . 4.610 4.523 4.423 4.664 0.054 5 0 "[ . 1]" 1
552 1 134 ILE MG 1 137 ILE H . . 5.060 4.579 4.487 4.746 . 0 0 "[ . 1]" 1
553 1 134 ILE MG 1 137 ILE MG . . 3.580 2.974 2.795 3.094 . 0 0 "[ . 1]" 1
554 1 135 ASN H 1 136 GLY H . . 4.990 2.775 2.640 2.832 . 0 0 "[ . 1]" 1
555 1 135 ASN HB2 1 136 GLY H . . 5.500 4.015 3.844 4.142 . 0 0 "[ . 1]" 1
556 1 135 ASN HB3 1 136 GLY H . . 5.500 2.844 2.712 2.936 . 0 0 "[ . 1]" 1
557 1 135 ASN QD 1 139 ILE MD . . 4.200 3.256 2.660 3.752 . 0 0 "[ . 1]" 1
558 1 135 ASN HD21 1 139 ILE MD . . 4.910 4.302 3.266 4.917 0.007 2 0 "[ . 1]" 1
559 1 135 ASN HD22 1 139 ILE MD . . 4.910 3.381 2.732 3.919 . 0 0 "[ . 1]" 1
560 1 136 GLY H 1 137 ILE H . . 4.560 2.661 2.628 2.732 . 0 0 "[ . 1]" 1
561 1 136 GLY QA 1 137 ILE HB . . 4.640 4.585 4.468 4.683 0.043 6 0 "[ . 1]" 1
562 1 137 ILE H 1 137 ILE MD . . 4.830 4.318 4.137 4.400 . 0 0 "[ . 1]" 1
563 1 137 ILE H 1 138 ILE H . . 4.980 2.597 2.569 2.682 . 0 0 "[ . 1]" 1
564 1 137 ILE HB 1 138 ILE H . . 5.000 3.846 3.549 4.046 . 0 0 "[ . 1]" 1
565 1 137 ILE HB 1 138 ILE MD . . 4.420 4.502 4.375 4.582 0.162 10 0 "[ . 1]" 1
566 1 137 ILE MD 1 138 ILE H . . 4.740 4.352 3.190 4.836 0.096 3 0 "[ . 1]" 1
567 1 137 ILE MD 1 138 ILE MD . . 3.870 3.363 1.874 3.906 0.036 3 0 "[ . 1]" 1
568 1 137 ILE MD 1 138 ILE QG . . 5.050 4.697 3.382 5.123 0.073 5 0 "[ . 1]" 1
569 1 137 ILE MD 1 141 VAL QG . . 4.540 2.659 1.761 3.452 . 0 0 "[ . 1]" 1
570 1 137 ILE MG 1 138 ILE H . . 4.740 2.083 2.049 2.137 . 0 0 "[ . 1]" 1
571 1 137 ILE MG 1 138 ILE QG . . 4.850 2.442 2.219 3.674 . 0 0 "[ . 1]" 1
572 1 137 ILE MG 1 140 SER H . . 5.500 4.862 4.689 4.966 . 0 0 "[ . 1]" 1
573 1 137 ILE MG 1 141 VAL H . . 5.050 4.813 4.386 5.094 0.044 1 0 "[ . 1]" 1
574 1 137 ILE MG 1 141 VAL QG . . 4.530 3.462 2.725 3.932 . 0 0 "[ . 1]" 1
575 1 138 ILE H 1 138 ILE MD . . 4.470 2.937 2.532 3.150 . 0 0 "[ . 1]" 1
576 1 138 ILE H 1 138 ILE QG . . 4.690 2.421 2.228 3.664 . 0 0 "[ . 1]" 1
577 1 138 ILE H 1 139 ILE H . . 4.130 2.652 2.563 2.762 . 0 0 "[ . 1]" 1
578 1 138 ILE HA 1 139 ILE MG . . 5.000 5.050 4.868 5.128 0.128 1 0 "[ . 1]" 1
579 1 138 ILE MD 1 141 VAL H . . 4.880 4.785 4.682 4.925 0.045 8 0 "[ . 1]" 1
580 1 138 ILE MD 1 141 VAL MG1 . . 4.240 4.136 3.844 4.298 0.058 5 0 "[ . 1]" 1
581 1 138 ILE MD 1 141 VAL QG . . 3.390 3.383 2.727 3.487 0.097 5 0 "[ . 1]" 1
582 1 138 ILE MD 1 141 VAL MG2 . . 4.240 3.602 2.790 3.729 . 0 0 "[ . 1]" 1
583 1 138 ILE QG 1 139 ILE H . . 5.500 3.995 3.892 4.460 . 0 0 "[ . 1]" 1
584 1 139 ILE H 1 139 ILE MD . . 4.450 4.301 3.701 4.416 . 0 0 "[ . 1]" 1
585 1 139 ILE H 1 139 ILE HG12 . . 5.030 4.291 2.244 4.549 . 0 0 "[ . 1]" 1
586 1 139 ILE H 1 139 ILE QG . . 4.260 3.785 2.215 3.983 . 0 0 "[ . 1]" 1
587 1 139 ILE H 1 139 ILE HG13 . . 5.030 4.282 3.401 4.454 . 0 0 "[ . 1]" 1
588 1 139 ILE H 1 139 ILE MG . . 3.890 2.172 2.003 2.286 . 0 0 "[ . 1]" 1
589 1 139 ILE H 1 140 SER H . . 4.450 2.602 2.470 2.663 . 0 0 "[ . 1]" 1
590 1 139 ILE HB 1 140 SER H . . 4.800 3.938 3.880 4.037 . 0 0 "[ . 1]" 1
591 1 139 ILE MD 1 139 ILE MG . . 2.910 2.050 1.954 2.208 . 0 0 "[ . 1]" 1
592 1 139 ILE MD 1 140 SER H . . 4.880 4.709 3.950 4.877 . 0 0 "[ . 1]" 1
593 1 139 ILE MD 1 140 SER QB . . 5.340 5.189 4.799 5.337 . 0 0 "[ . 1]" 1
594 1 139 ILE QG 1 140 SER H . . 4.790 3.783 2.268 4.042 . 0 0 "[ . 1]" 1
595 1 139 ILE HG12 1 140 SER H . . 5.500 4.009 2.619 4.277 . 0 0 "[ . 1]" 1
596 1 139 ILE HG13 1 140 SER H . . 5.500 4.675 2.484 5.013 . 0 0 "[ . 1]" 1
597 1 139 ILE MG 1 140 SER H . . 4.400 2.364 2.151 3.898 . 0 0 "[ . 1]" 1
598 1 139 ILE MG 1 142 LYS QE . . 4.060 3.930 3.036 4.170 0.110 1 0 "[ . 1]" 1
599 1 139 ILE MG 1 143 THR H . . 5.500 5.071 4.843 5.671 0.171 4 0 "[ . 1]" 1
600 1 140 SER H 1 141 VAL H . . 4.040 2.450 2.436 2.463 . 0 0 "[ . 1]" 1
601 1 140 SER HA 1 143 THR H . . 3.810 3.714 3.620 3.883 0.073 4 0 "[ . 1]" 1
602 1 141 VAL H 1 141 VAL MG1 . . 4.120 3.576 2.361 3.727 . 0 0 "[ . 1]" 1
603 1 141 VAL H 1 141 VAL QG . . 3.550 2.501 1.828 2.645 . 0 0 "[ . 1]" 1
604 1 141 VAL H 1 141 VAL MG2 . . 4.120 2.555 1.904 2.711 . 0 0 "[ . 1]" 1
605 1 141 VAL H 1 142 LYS H . . 3.800 2.479 2.449 2.520 . 0 0 "[ . 1]" 1
606 1 141 VAL HA 1 143 THR H . . 5.500 4.364 3.890 4.463 . 0 0 "[ . 1]" 1
607 1 141 VAL HA 1 144 ARG H . . 5.000 3.474 3.165 3.587 . 0 0 "[ . 1]" 1
608 1 141 VAL HB 1 142 LYS H . . 4.390 2.824 2.616 3.707 . 0 0 "[ . 1]" 1
609 1 141 VAL HB 1 143 THR H . . 5.500 5.093 4.980 5.596 0.096 8 0 "[ . 1]" 1
610 1 141 VAL QG 1 142 LYS H . . 4.010 3.000 2.033 3.267 . 0 0 "[ . 1]" 1
611 1 141 VAL QG 1 142 LYS HA . . 5.500 3.242 3.125 3.346 . 0 0 "[ . 1]" 1
612 1 141 VAL QG 1 143 THR MG . . 4.570 4.546 4.277 4.642 0.072 7 0 "[ . 1]" 1
613 1 141 VAL QG 1 144 ARG H . . 5.440 4.242 3.597 4.460 . 0 0 "[ . 1]" 1
614 1 141 VAL MG1 1 142 LYS H . . 4.510 3.304 3.058 3.899 . 0 0 "[ . 1]" 1
615 1 141 VAL MG2 1 142 LYS H . . 4.510 3.816 2.040 4.098 . 0 0 "[ . 1]" 1
616 1 142 LYS H 1 142 LYS QB . . 3.690 2.310 2.146 2.359 . 0 0 "[ . 1]" 1
617 1 142 LYS H 1 142 LYS QD . . 4.850 4.088 3.721 4.393 . 0 0 "[ . 1]" 1
618 1 142 LYS H 1 142 LYS QE . . 4.370 3.872 3.214 4.491 0.121 4 0 "[ . 1]" 1
619 1 142 LYS H 1 142 LYS HG2 . . 4.480 2.543 2.458 2.964 . 0 0 "[ . 1]" 1
620 1 142 LYS H 1 142 LYS QG . . 3.900 2.501 2.422 2.902 . 0 0 "[ . 1]" 1
621 1 142 LYS H 1 142 LYS HG3 . . 4.480 3.709 3.639 4.131 . 0 0 "[ . 1]" 1
622 1 142 LYS H 1 143 THR H . . 3.080 2.566 2.466 2.740 . 0 0 "[ . 1]" 1
623 1 142 LYS H 1 145 SER QB . . 4.820 4.792 4.639 4.846 0.026 10 0 "[ . 1]" 1
624 1 142 LYS QB 1 142 LYS QE . . 3.900 2.756 1.934 3.565 . 0 0 "[ . 1]" 1
625 1 142 LYS QB 1 143 THR H . . 4.000 3.431 3.424 3.448 . 0 0 "[ . 1]" 1
626 1 142 LYS QB 1 143 THR HA . . 4.680 4.549 4.523 4.642 . 0 0 "[ . 1]" 1
627 1 142 LYS QB 1 143 THR HB . . 5.340 4.991 4.968 5.026 . 0 0 "[ . 1]" 1
628 1 142 LYS HB2 1 143 THR HA . . 5.280 4.832 4.785 5.010 . 0 0 "[ . 1]" 1
629 1 142 LYS HB2 1 143 THR HB . . 5.500 5.582 5.519 5.772 0.272 4 0 "[ . 1]" 1
630 1 142 LYS HB3 1 143 THR HA . . 5.500 5.554 5.485 5.568 0.068 3 0 "[ . 1]" 1
631 1 142 LYS HB3 1 143 THR HB . . 5.500 5.627 5.482 5.682 0.182 5 0 "[ . 1]" 1
632 1 142 LYS QD 1 143 THR H . . 4.630 4.184 4.098 4.276 . 0 0 "[ . 1]" 1
633 1 142 LYS QD 1 143 THR HA . . 5.410 4.898 4.659 5.144 . 0 0 "[ . 1]" 1
634 1 142 LYS QD 1 143 THR HB . . 5.500 4.619 4.292 4.967 . 0 0 "[ . 1]" 1
635 1 142 LYS QE 1 142 LYS QG . . 3.250 2.212 2.105 2.323 . 0 0 "[ . 1]" 1
636 1 142 LYS QE 1 143 THR H . . 5.500 4.091 3.843 4.354 . 0 0 "[ . 1]" 1
637 1 142 LYS QG 1 143 THR H . . 5.040 2.145 2.109 2.188 . 0 0 "[ . 1]" 1
638 1 143 THR H 1 143 THR HB . . 3.810 2.482 2.410 2.507 . 0 0 "[ . 1]" 1
639 1 143 THR H 1 143 THR MG . . 3.840 2.242 2.191 2.442 . 0 0 "[ . 1]" 1
640 1 143 THR H 1 144 ARG H . . 3.380 2.492 2.478 2.500 . 0 0 "[ . 1]" 1
641 1 143 THR H 1 144 ARG QG . . 4.990 4.502 3.493 4.960 . 0 0 "[ . 1]" 1
642 1 143 THR MG 1 144 ARG H . . 4.210 2.236 2.129 2.277 . 0 0 "[ . 1]" 1
643 1 143 THR MG 1 144 ARG HA . . 5.140 3.419 3.086 3.850 . 0 0 "[ . 1]" 1
644 1 143 THR MG 1 145 SER H . . 5.500 4.604 4.189 5.305 . 0 0 "[ . 1]" 1
645 1 144 ARG H 1 144 ARG HB2 . . 4.140 2.971 2.207 4.036 . 0 0 "[ . 1]" 1
646 1 144 ARG H 1 144 ARG QB . . 3.630 2.602 2.185 3.188 . 0 0 "[ . 1]" 1
647 1 144 ARG H 1 144 ARG HB3 . . 4.140 3.401 2.633 3.820 . 0 0 "[ . 1]" 1
648 1 144 ARG H 1 144 ARG QD . . 4.950 4.406 3.806 4.928 . 0 0 "[ . 1]" 1
649 1 144 ARG H 1 144 ARG QG . . 3.790 2.798 1.881 3.412 . 0 0 "[ . 1]" 1
650 1 144 ARG H 1 145 SER H . . 4.220 3.157 2.406 4.154 . 0 0 "[ . 1]" 1
651 1 144 ARG HA 1 144 ARG QD . . 5.110 3.638 2.769 4.526 . 0 0 "[ . 1]" 1
652 1 144 ARG QB 1 145 SER H . . 4.190 3.161 1.932 4.036 . 0 0 "[ . 1]" 1
653 1 144 ARG QB 1 145 SER QB . . 5.130 4.431 3.914 4.914 . 0 0 "[ . 1]" 1
654 1 144 ARG HB2 1 145 SER H . . 4.780 3.543 1.965 4.550 . 0 0 "[ . 1]" 1
655 1 144 ARG HB2 1 145 SER QB . . 5.500 4.840 4.236 5.514 0.014 10 0 "[ . 1]" 1
656 1 144 ARG HB3 1 145 SER H . . 4.780 3.813 2.859 4.526 . 0 0 "[ . 1]" 1
657 1 144 ARG HB3 1 145 SER QB . . 5.500 5.177 4.604 5.585 0.085 8 0 "[ . 1]" 1
658 1 144 ARG QD 1 145 SER H . . 5.360 4.428 2.488 5.191 . 0 0 "[ . 1]" 1
659 1 144 ARG QG 1 145 SER H . . 4.650 3.886 1.989 4.469 . 0 0 "[ . 1]" 1
660 1 145 SER H 1 145 SER QB . . 3.610 2.659 2.053 2.992 . 0 0 "[ . 1]" 1
661 1 145 SER H 1 146 GLU H . . 4.650 4.056 2.767 4.640 . 0 0 "[ . 1]" 1
662 1 145 SER HA 1 147 ARG H . . 4.880 4.386 3.632 4.809 . 0 0 "[ . 1]" 1
663 1 145 SER QB 1 146 GLU H . . 4.030 2.937 2.004 3.919 . 0 0 "[ . 1]" 1
664 1 145 SER QB 1 147 ARG H . . 5.120 3.486 2.379 5.131 0.011 10 0 "[ . 1]" 1
665 1 146 GLU H 1 146 GLU QB . . 3.620 2.390 2.068 2.957 . 0 0 "[ . 1]" 1
666 1 146 GLU H 1 146 GLU QG . . 4.370 3.375 1.962 4.094 . 0 0 "[ . 1]" 1
667 1 146 GLU H 1 147 ARG H . . 4.010 2.361 1.906 2.755 . 0 0 "[ . 1]" 1
668 1 146 GLU HA 1 147 ARG H . . 3.440 3.510 3.507 3.511 0.071 10 0 "[ . 1]" 1
669 1 146 GLU QB 1 147 ARG H . . 4.260 2.812 2.690 3.476 . 0 0 "[ . 1]" 1
670 1 146 GLU HB2 1 147 ARG H . . 4.180 3.433 2.745 4.046 . 0 0 "[ . 1]" 1
671 1 146 GLU HB3 1 147 ARG H . . 4.180 3.214 2.750 3.976 . 0 0 "[ . 1]" 1
672 1 146 GLU QG 1 147 ARG H . . 4.490 4.005 2.167 4.469 . 0 0 "[ . 1]" 1
673 1 147 ARG H 1 147 ARG HB2 . . 4.050 3.016 2.070 3.668 . 0 0 "[ . 1]" 1
674 1 147 ARG H 1 147 ARG QB . . 3.260 2.582 2.045 3.255 . 0 0 "[ . 1]" 1
675 1 147 ARG H 1 147 ARG HB3 . . 4.050 3.258 2.560 4.047 . 0 0 "[ . 1]" 1
676 1 147 ARG H 1 147 ARG QD . . 5.180 4.256 2.875 4.996 . 0 0 "[ . 1]" 1
677 1 147 ARG H 1 147 ARG QG . . 3.600 2.825 2.033 3.563 . 0 0 "[ . 1]" 1
678 1 147 ARG HA 1 147 ARG QD . . 4.440 3.690 1.989 4.342 . 0 0 "[ . 1]" 1
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