NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
621650 |
5omz   |
34167 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5omz
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 1033
_Distance_constraint_stats_list.Viol_count 506
_Distance_constraint_stats_list.Viol_total 272.846
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0270
_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 6 LEU 0.120 0.060 17 0 "[ . 1 . 2]"
1 7 LYS 0.120 0.060 17 0 "[ . 1 . 2]"
1 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.037 0.018 17 0 "[ . 1 . 2]"
1 10 SER 0.037 0.018 17 0 "[ . 1 . 2]"
1 11 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 THR 0.002 0.002 5 0 "[ . 1 . 2]"
1 16 ALA 0.458 0.107 1 0 "[ . 1 . 2]"
1 17 ALA 0.544 0.145 12 0 "[ . 1 . 2]"
1 18 PHE 0.744 0.122 11 0 "[ . 1 . 2]"
1 19 THR 0.021 0.015 2 0 "[ . 1 . 2]"
1 20 PHE 0.806 0.136 18 0 "[ . 1 . 2]"
1 21 THR 0.306 0.072 9 0 "[ . 1 . 2]"
1 22 LYS 0.002 0.002 18 0 "[ . 1 . 2]"
1 23 ILE 0.108 0.053 1 0 "[ . 1 . 2]"
1 24 PRO 0.163 0.065 18 0 "[ . 1 . 2]"
1 25 ALA 0.079 0.018 18 0 "[ . 1 . 2]"
1 26 GLU 0.595 0.076 6 0 "[ . 1 . 2]"
1 27 THR 1.613 0.121 16 0 "[ . 1 . 2]"
1 28 LEU 0.675 0.121 16 0 "[ . 1 . 2]"
1 29 HIS 0.590 0.107 11 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 THR 0.205 0.079 6 0 "[ . 1 . 2]"
1 32 VAL 0.719 0.104 18 0 "[ . 1 . 2]"
1 33 THR 0.259 0.019 6 0 "[ . 1 . 2]"
1 34 VAL 0.254 0.030 18 0 "[ . 1 . 2]"
1 35 GLU 0.069 0.035 9 0 "[ . 1 . 2]"
1 36 VAL 0.194 0.040 16 0 "[ . 1 . 2]"
1 37 GLN 0.436 0.136 20 0 "[ . 1 . 2]"
1 38 TYR 0.844 0.154 7 0 "[ . 1 . 2]"
1 39 ALA 0.514 0.093 16 0 "[ . 1 . 2]"
1 40 GLY 0.338 0.107 1 0 "[ . 1 . 2]"
1 41 THR 0.011 0.006 11 0 "[ . 1 . 2]"
1 42 ASP 0.233 0.040 20 0 "[ . 1 . 2]"
1 43 GLY 0.036 0.013 12 0 "[ . 1 . 2]"
1 44 PRO 0.517 0.147 6 0 "[ . 1 . 2]"
1 45 CYS 0.002 0.002 6 0 "[ . 1 . 2]"
1 46 LYS 0.039 0.014 11 0 "[ . 1 . 2]"
1 47 VAL 0.451 0.061 13 0 "[ . 1 . 2]"
1 48 PRO 1.139 0.134 6 0 "[ . 1 . 2]"
1 49 ALA 0.873 0.123 2 0 "[ . 1 . 2]"
1 50 GLN 0.126 0.088 16 0 "[ . 1 . 2]"
1 51 MET 0.105 0.075 10 0 "[ . 1 . 2]"
1 52 ALA 0.094 0.056 13 0 "[ . 1 . 2]"
1 53 VAL 0.116 0.101 15 0 "[ . 1 . 2]"
1 54 ASP 0.005 0.003 7 0 "[ . 1 . 2]"
1 55 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLN 0.002 0.002 5 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.231 0.056 13 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.004 0.004 5 0 "[ . 1 . 2]"
1 61 VAL 0.228 0.113 15 0 "[ . 1 . 2]"
1 62 GLY 0.027 0.026 16 0 "[ . 1 . 2]"
1 63 ARG 0.302 0.172 12 0 "[ . 1 . 2]"
1 64 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ILE 0.076 0.069 10 0 "[ . 1 . 2]"
1 66 THR 0.075 0.043 11 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.014 0.014 5 0 "[ . 1 . 2]"
1 69 PRO 0.275 0.066 5 0 "[ . 1 . 2]"
1 70 VAL 0.230 0.066 5 0 "[ . 1 . 2]"
1 71 ILE 0.315 0.095 9 0 "[ . 1 . 2]"
1 72 THR 0.420 0.147 6 0 "[ . 1 . 2]"
1 73 GLU 0.006 0.002 12 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.031 0.016 6 0 "[ . 1 . 2]"
1 76 GLU 0.388 0.131 6 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.101 0.086 6 0 "[ . 1 . 2]"
1 79 LYS 0.739 0.154 7 0 "[ . 1 . 2]"
1 80 MET 0.103 0.035 9 0 "[ . 1 . 2]"
1 81 MET 0.023 0.017 16 0 "[ . 1 . 2]"
1 82 LEU 0.100 0.032 11 0 "[ . 1 . 2]"
1 83 GLU 0.072 0.043 11 0 "[ . 1 . 2]"
1 84 LEU 0.264 0.069 10 0 "[ . 1 . 2]"
1 85 ASP 0.472 0.172 12 0 "[ . 1 . 2]"
1 86 PRO 0.292 0.104 18 0 "[ . 1 . 2]"
1 87 PRO 0.076 0.050 7 0 "[ . 1 . 2]"
1 88 PHE 0.079 0.053 15 0 "[ . 1 . 2]"
1 89 GLY 0.031 0.016 16 0 "[ . 1 . 2]"
1 90 ASP 0.205 0.051 20 0 "[ . 1 . 2]"
1 91 SER 0.362 0.125 18 0 "[ . 1 . 2]"
1 92 TYR 0.528 0.125 18 0 "[ . 1 . 2]"
1 93 ILE 0.157 0.065 18 0 "[ . 1 . 2]"
1 94 VAL 0.134 0.088 16 0 "[ . 1 . 2]"
1 95 ILE 0.920 0.123 2 0 "[ . 1 . 2]"
1 96 GLY 0.589 0.134 6 0 "[ . 1 . 2]"
1 97 VAL 0.538 0.122 11 0 "[ . 1 . 2]"
1 98 GLY 0.063 0.031 13 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 LYS 0.543 0.145 12 0 "[ . 1 . 2]"
1 101 LYS 0.510 0.074 20 0 "[ . 1 . 2]"
1 102 ILE 0.594 0.136 18 0 "[ . 1 . 2]"
1 103 THR 0.227 0.063 19 0 "[ . 1 . 2]"
1 104 HIS 0.100 0.053 1 0 "[ . 1 . 2]"
1 105 HIS 0.006 0.006 13 0 "[ . 1 . 2]"
1 106 TRP 0.453 0.076 6 0 "[ . 1 . 2]"
1 107 HIS 0.153 0.051 20 0 "[ . 1 . 2]"
1 108 ARG 0.133 0.053 15 0 "[ . 1 . 2]"
1 109 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 ILE 0.186 0.051 16 0 "[ . 1 . 2]"
1 114 GLY 0.127 0.051 16 0 "[ . 1 . 2]"
1 115 LYS 0.008 0.008 16 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 6 LEU HA 1 7 LYS H . . 3.450 2.378 2.139 3.510 0.060 17 0 "[ . 1 . 2]" 1
2 1 7 LYS HB2 1 8 GLY H . . 5.500 3.393 1.977 4.479 . 0 0 "[ . 1 . 2]" 1
3 1 7 LYS HB3 1 8 GLY H . . 5.500 3.309 2.026 4.404 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLY QA 1 9 VAL H . . 3.190 2.321 2.110 2.771 . 0 0 "[ . 1 . 2]" 1
5 1 9 VAL H 1 9 VAL HB . . 3.830 3.056 2.541 3.778 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 9 VAL QG . . 4.010 2.227 1.925 2.775 . 0 0 "[ . 1 . 2]" 1
7 1 9 VAL HA 1 10 SER H . . 3.170 2.298 2.145 2.584 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL HA 1 10 SER QB . . 4.890 4.338 3.960 4.617 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL HB 1 10 SER H . . 4.370 3.650 1.992 4.388 0.018 17 0 "[ . 1 . 2]" 1
10 1 9 VAL QG 1 10 SER H . . 4.290 2.593 2.016 3.600 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL QG 1 10 SER HA . . 5.160 3.597 2.971 4.070 . 0 0 "[ . 1 . 2]" 1
12 1 10 SER H 1 10 SER QB . . 3.750 2.862 2.247 3.432 . 0 0 "[ . 1 . 2]" 1
13 1 10 SER H 1 11 TYR H . . 4.130 3.765 2.880 4.117 . 0 0 "[ . 1 . 2]" 1
14 1 10 SER HA 1 11 TYR H . . 3.130 2.311 2.138 2.803 . 0 0 "[ . 1 . 2]" 1
15 1 10 SER HA 1 11 TYR HA . . 4.540 4.398 4.341 4.535 . 0 0 "[ . 1 . 2]" 1
16 1 10 SER QB 1 11 TYR H . . 4.260 3.717 3.067 4.041 . 0 0 "[ . 1 . 2]" 1
17 1 11 TYR H 1 11 TYR HA . . 2.940 2.884 2.765 2.937 . 0 0 "[ . 1 . 2]" 1
18 1 11 TYR H 1 11 TYR QB . . 3.390 2.460 2.174 2.774 . 0 0 "[ . 1 . 2]" 1
19 1 11 TYR H 1 11 TYR QD . . 4.100 3.678 3.110 4.099 . 0 0 "[ . 1 . 2]" 1
20 1 11 TYR H 1 12 SER H . . 4.770 4.469 4.228 4.634 . 0 0 "[ . 1 . 2]" 1
21 1 11 TYR HA 1 11 TYR QD . . 3.080 2.237 2.033 2.473 . 0 0 "[ . 1 . 2]" 1
22 1 11 TYR HA 1 11 TYR QE . . 4.320 4.281 4.241 4.313 . 0 0 "[ . 1 . 2]" 1
23 1 11 TYR HA 1 12 SER H . . 2.730 2.387 2.156 2.616 . 0 0 "[ . 1 . 2]" 1
24 1 11 TYR HA 1 12 SER QB . . 4.230 4.063 3.859 4.223 . 0 0 "[ . 1 . 2]" 1
25 1 11 TYR QB 1 12 SER H . . 3.240 2.581 1.969 3.209 . 0 0 "[ . 1 . 2]" 1
26 1 11 TYR QD 1 12 SER H . . 3.910 3.153 2.775 3.599 . 0 0 "[ . 1 . 2]" 1
27 1 12 SER H 1 12 SER HB2 . . 3.890 2.893 2.293 3.886 . 0 0 "[ . 1 . 2]" 1
28 1 12 SER H 1 12 SER QB . . 3.160 2.518 2.196 3.048 . 0 0 "[ . 1 . 2]" 1
29 1 12 SER H 1 12 SER HB3 . . 3.890 2.911 2.586 3.588 . 0 0 "[ . 1 . 2]" 1
30 1 12 SER HA 1 13 LEU H . . 2.880 2.528 2.427 2.623 . 0 0 "[ . 1 . 2]" 1
31 1 12 SER QB 1 13 LEU H . . 3.250 2.813 2.063 3.242 . 0 0 "[ . 1 . 2]" 1
32 1 12 SER HB2 1 13 LEU H . . 3.890 3.527 2.203 3.879 . 0 0 "[ . 1 . 2]" 1
33 1 12 SER HB3 1 13 LEU H . . 3.890 3.156 2.076 3.860 . 0 0 "[ . 1 . 2]" 1
34 1 13 LEU H 1 13 LEU QB . . 3.430 2.618 2.118 3.050 . 0 0 "[ . 1 . 2]" 1
35 1 13 LEU H 1 13 LEU MD1 . . 4.280 3.817 2.552 4.053 . 0 0 "[ . 1 . 2]" 1
36 1 13 LEU H 1 13 LEU QD . . 3.680 2.436 1.928 3.663 . 0 0 "[ . 1 . 2]" 1
37 1 13 LEU H 1 13 LEU MD2 . . 4.280 2.628 1.933 4.262 . 0 0 "[ . 1 . 2]" 1
38 1 13 LEU H 1 13 LEU HG . . 3.560 2.783 1.981 3.554 . 0 0 "[ . 1 . 2]" 1
39 1 13 LEU HA 1 13 LEU QD . . 3.680 3.277 2.213 3.426 . 0 0 "[ . 1 . 2]" 1
40 1 13 LEU HA 1 14 CYS H . . 3.020 2.288 2.189 2.353 . 0 0 "[ . 1 . 2]" 1
41 1 13 LEU QB 1 13 LEU QD . . 2.820 1.822 1.776 1.913 . 0 0 "[ . 1 . 2]" 1
42 1 13 LEU QB 1 14 CYS H . . 4.060 2.703 2.520 3.143 . 0 0 "[ . 1 . 2]" 1
43 1 13 LEU QD 1 14 CYS H . . 4.170 3.502 2.450 4.015 . 0 0 "[ . 1 . 2]" 1
44 1 13 LEU QD 1 14 CYS HA . . 4.230 3.903 2.910 4.230 . 0 0 "[ . 1 . 2]" 1
45 1 14 CYS H 1 14 CYS QB . . 3.550 2.842 2.257 3.394 . 0 0 "[ . 1 . 2]" 1
46 1 14 CYS HA 1 15 THR H . . 3.290 2.430 2.276 2.541 . 0 0 "[ . 1 . 2]" 1
47 1 14 CYS QB 1 15 THR H . . 4.320 2.488 2.154 3.308 . 0 0 "[ . 1 . 2]" 1
48 1 14 CYS QB 1 15 THR HA . . 5.340 4.050 3.890 4.306 . 0 0 "[ . 1 . 2]" 1
49 1 14 CYS QB 1 16 ALA H . . 4.310 3.808 3.609 4.098 . 0 0 "[ . 1 . 2]" 1
50 1 15 THR H 1 15 THR MG . . 4.010 3.268 2.154 3.996 . 0 0 "[ . 1 . 2]" 1
51 1 15 THR H 1 16 ALA H . . 3.490 3.442 3.345 3.492 0.002 5 0 "[ . 1 . 2]" 1
52 1 15 THR H 1 16 ALA MB . . 4.910 3.949 3.379 4.650 . 0 0 "[ . 1 . 2]" 1
53 1 15 THR HA 1 15 THR MG . . 3.210 2.364 2.047 3.186 . 0 0 "[ . 1 . 2]" 1
54 1 16 ALA H 1 16 ALA MB . . 3.330 2.455 2.046 2.823 . 0 0 "[ . 1 . 2]" 1
55 1 16 ALA H 1 17 ALA H . . 4.830 4.161 1.913 4.638 . 0 0 "[ . 1 . 2]" 1
56 1 16 ALA HA 1 40 GLY QA . . 3.980 3.651 2.215 4.087 0.107 1 0 "[ . 1 . 2]" 1
57 1 16 ALA MB 1 17 ALA H . . 3.110 2.688 2.061 3.110 0.000 12 0 "[ . 1 . 2]" 1
58 1 16 ALA MB 1 18 PHE H . . 5.500 5.212 4.656 5.509 0.009 14 0 "[ . 1 . 2]" 1
59 1 16 ALA MB 1 39 ALA H . . 4.710 3.641 2.392 4.774 0.064 14 0 "[ . 1 . 2]" 1
60 1 16 ALA MB 1 40 GLY HA2 . . 3.580 2.977 2.107 3.665 0.085 1 0 "[ . 1 . 2]" 1
61 1 16 ALA MB 1 40 GLY QA . . 3.040 2.367 1.991 3.106 0.066 14 0 "[ . 1 . 2]" 1
62 1 16 ALA MB 1 40 GLY HA3 . . 3.580 2.791 2.006 3.549 . 0 0 "[ . 1 . 2]" 1
63 1 16 ALA MB 1 41 THR H . . 5.430 4.200 2.253 5.259 . 0 0 "[ . 1 . 2]" 1
64 1 17 ALA H 1 17 ALA MB . . 2.810 2.354 2.051 2.782 . 0 0 "[ . 1 . 2]" 1
65 1 17 ALA H 1 18 PHE H . . 5.110 4.472 4.038 4.642 . 0 0 "[ . 1 . 2]" 1
66 1 17 ALA HA 1 18 PHE H . . 2.900 2.240 2.142 2.355 . 0 0 "[ . 1 . 2]" 1
67 1 17 ALA HA 1 18 PHE QB . . 5.320 4.399 4.218 4.602 . 0 0 "[ . 1 . 2]" 1
68 1 17 ALA HA 1 100 LYS QB . . 4.500 3.855 2.376 4.645 0.145 12 0 "[ . 1 . 2]" 1
69 1 17 ALA MB 1 18 PHE H . . 3.460 2.865 2.580 3.239 . 0 0 "[ . 1 . 2]" 1
70 1 17 ALA MB 1 18 PHE HA . . 5.500 4.054 3.844 4.237 . 0 0 "[ . 1 . 2]" 1
71 1 17 ALA MB 1 100 LYS QB . . 3.910 3.204 1.839 3.981 0.071 12 0 "[ . 1 . 2]" 1
72 1 17 ALA MB 1 100 LYS QD . . 4.990 3.853 2.339 5.053 0.063 3 0 "[ . 1 . 2]" 1
73 1 18 PHE H 1 18 PHE QB . . 3.420 2.615 2.306 2.978 . 0 0 "[ . 1 . 2]" 1
74 1 18 PHE H 1 18 PHE QD . . 3.670 2.844 2.138 3.342 . 0 0 "[ . 1 . 2]" 1
75 1 18 PHE H 1 102 ILE MD . . 5.250 4.872 4.460 5.210 . 0 0 "[ . 1 . 2]" 1
76 1 18 PHE HA 1 18 PHE QD . . 4.320 2.875 2.468 3.712 . 0 0 "[ . 1 . 2]" 1
77 1 18 PHE HA 1 19 THR H . . 3.150 2.322 2.212 2.519 . 0 0 "[ . 1 . 2]" 1
78 1 18 PHE HA 1 37 GLN H . . 5.010 4.053 3.461 4.577 . 0 0 "[ . 1 . 2]" 1
79 1 18 PHE HA 1 38 TYR HA . . 4.190 3.968 3.123 4.256 0.066 15 0 "[ . 1 . 2]" 1
80 1 18 PHE HA 1 39 ALA H . . 4.470 4.372 3.510 4.563 0.093 16 0 "[ . 1 . 2]" 1
81 1 18 PHE HA 1 102 ILE MD . . 5.170 4.455 3.977 5.070 . 0 0 "[ . 1 . 2]" 1
82 1 18 PHE QB 1 19 THR H . . 3.590 2.610 2.157 2.896 . 0 0 "[ . 1 . 2]" 1
83 1 18 PHE QB 1 36 VAL HB . . 4.870 3.124 2.198 3.746 . 0 0 "[ . 1 . 2]" 1
84 1 18 PHE QB 1 36 VAL MG1 . . 5.480 3.494 2.767 3.968 . 0 0 "[ . 1 . 2]" 1
85 1 18 PHE QB 1 36 VAL MG2 . . 4.950 3.255 2.247 4.071 . 0 0 "[ . 1 . 2]" 1
86 1 18 PHE QB 1 95 ILE MG . . 3.730 2.742 1.887 3.796 0.066 11 0 "[ . 1 . 2]" 1
87 1 18 PHE QB 1 102 ILE MD . . 3.590 2.612 2.085 3.544 . 0 0 "[ . 1 . 2]" 1
88 1 18 PHE QB 1 102 ILE MG . . 4.470 3.116 2.257 4.341 . 0 0 "[ . 1 . 2]" 1
89 1 18 PHE QD 1 19 THR H . . 4.770 3.824 3.181 4.181 . 0 0 "[ . 1 . 2]" 1
90 1 18 PHE QD 1 36 VAL HB . . 4.120 3.724 2.982 4.154 0.034 7 0 "[ . 1 . 2]" 1
91 1 18 PHE QD 1 36 VAL MG2 . . 3.690 2.884 1.989 3.730 0.040 16 0 "[ . 1 . 2]" 1
92 1 18 PHE QD 1 37 GLN H . . 4.810 4.517 3.383 4.825 0.015 12 0 "[ . 1 . 2]" 1
93 1 18 PHE QD 1 95 ILE MG . . 4.030 3.066 2.324 3.958 . 0 0 "[ . 1 . 2]" 1
94 1 18 PHE QD 1 97 VAL H . . 5.500 5.096 4.546 5.622 0.122 11 0 "[ . 1 . 2]" 1
95 1 19 THR H 1 19 THR MG . . 4.270 3.710 2.346 4.056 . 0 0 "[ . 1 . 2]" 1
96 1 19 THR H 1 36 VAL HB . . 4.550 2.682 2.252 3.322 . 0 0 "[ . 1 . 2]" 1
97 1 19 THR H 1 37 GLN H . . 3.600 2.485 2.055 3.209 . 0 0 "[ . 1 . 2]" 1
98 1 19 THR H 1 102 ILE MD . . 4.600 3.380 2.558 3.805 . 0 0 "[ . 1 . 2]" 1
99 1 19 THR HA 1 19 THR MG . . 3.570 2.210 2.010 3.204 . 0 0 "[ . 1 . 2]" 1
100 1 19 THR HA 1 20 PHE H . . 2.900 2.238 2.148 2.507 . 0 0 "[ . 1 . 2]" 1
101 1 19 THR HA 1 102 ILE HB . . 4.710 3.858 3.357 4.250 . 0 0 "[ . 1 . 2]" 1
102 1 19 THR HA 1 102 ILE MD . . 3.480 2.538 1.896 3.066 . 0 0 "[ . 1 . 2]" 1
103 1 19 THR HA 1 102 ILE MG . . 3.710 2.121 1.798 2.415 . 0 0 "[ . 1 . 2]" 1
104 1 19 THR HB 1 20 PHE H . . 3.700 3.449 2.779 3.704 0.004 2 0 "[ . 1 . 2]" 1
105 1 19 THR HB 1 37 GLN H . . 5.280 4.317 3.611 5.171 . 0 0 "[ . 1 . 2]" 1
106 1 19 THR HB 1 37 GLN QB . . 4.400 3.809 2.877 4.415 0.015 2 0 "[ . 1 . 2]" 1
107 1 19 THR MG 1 20 PHE H . . 3.730 2.848 1.955 3.730 0.000 2 0 "[ . 1 . 2]" 1
108 1 20 PHE H 1 20 PHE HB2 . . 3.290 2.347 2.246 2.457 . 0 0 "[ . 1 . 2]" 1
109 1 20 PHE H 1 20 PHE QD . . 3.960 3.107 2.767 3.331 . 0 0 "[ . 1 . 2]" 1
110 1 20 PHE H 1 36 VAL MG1 . . 5.070 3.779 3.211 4.399 . 0 0 "[ . 1 . 2]" 1
111 1 20 PHE H 1 102 ILE MD . . 3.560 2.527 2.070 2.943 . 0 0 "[ . 1 . 2]" 1
112 1 20 PHE H 1 102 ILE MG . . 5.340 3.106 2.576 3.592 . 0 0 "[ . 1 . 2]" 1
113 1 20 PHE HA 1 20 PHE QD . . 3.810 2.272 2.094 2.568 . 0 0 "[ . 1 . 2]" 1
114 1 20 PHE HA 1 21 THR H . . 3.050 2.186 2.155 2.219 . 0 0 "[ . 1 . 2]" 1
115 1 20 PHE HA 1 21 THR MG . . 4.450 3.565 3.374 4.131 . 0 0 "[ . 1 . 2]" 1
116 1 20 PHE HA 1 22 LYS H . . 4.140 3.968 3.830 4.134 . 0 0 "[ . 1 . 2]" 1
117 1 20 PHE HA 1 36 VAL HA . . 3.580 2.695 2.344 2.968 . 0 0 "[ . 1 . 2]" 1
118 1 20 PHE HA 1 36 VAL MG1 . . 3.640 2.145 1.937 2.642 . 0 0 "[ . 1 . 2]" 1
119 1 20 PHE HA 1 102 ILE MD . . 4.940 3.301 2.966 3.589 . 0 0 "[ . 1 . 2]" 1
120 1 20 PHE HB2 1 21 THR MG . . 5.500 5.304 5.015 5.514 0.014 11 0 "[ . 1 . 2]" 1
121 1 20 PHE HB2 1 102 ILE QG . . 5.500 5.357 4.791 5.636 0.136 18 0 "[ . 1 . 2]" 1
122 1 20 PHE HB3 1 21 THR H . . 4.190 3.109 2.978 3.261 . 0 0 "[ . 1 . 2]" 1
123 1 20 PHE HB3 1 21 THR HA . . 5.430 4.480 4.399 4.561 . 0 0 "[ . 1 . 2]" 1
124 1 20 PHE HB3 1 22 LYS H . . 4.090 4.027 3.757 4.092 0.002 18 0 "[ . 1 . 2]" 1
125 1 20 PHE HB3 1 23 ILE HA . . 5.130 4.214 4.151 4.273 . 0 0 "[ . 1 . 2]" 1
126 1 20 PHE HB3 1 23 ILE MG . . 5.500 5.479 5.338 5.517 0.017 5 0 "[ . 1 . 2]" 1
127 1 20 PHE HB3 1 36 VAL HA . . 5.310 5.040 4.674 5.348 0.038 20 0 "[ . 1 . 2]" 1
128 1 20 PHE QD 1 21 THR H . . 4.900 3.436 3.140 3.704 . 0 0 "[ . 1 . 2]" 1
129 1 20 PHE QD 1 34 VAL QG . . 4.060 2.964 2.588 4.051 . 0 0 "[ . 1 . 2]" 1
130 1 20 PHE QD 1 35 GLU H . . 5.260 3.905 3.491 4.330 . 0 0 "[ . 1 . 2]" 1
131 1 20 PHE QD 1 36 VAL HA . . 5.100 4.024 3.663 4.525 . 0 0 "[ . 1 . 2]" 1
132 1 20 PHE QD 1 36 VAL MG1 . . 3.700 2.210 1.895 3.042 . 0 0 "[ . 1 . 2]" 1
133 1 20 PHE QD 1 102 ILE MD . . 4.780 2.853 2.573 3.024 . 0 0 "[ . 1 . 2]" 1
134 1 20 PHE QD 1 102 ILE MG . . 5.380 3.884 3.434 4.196 . 0 0 "[ . 1 . 2]" 1
135 1 20 PHE QE 1 24 PRO HD3 . . 5.360 5.041 4.562 5.351 . 0 0 "[ . 1 . 2]" 1
136 1 20 PHE QE 1 34 VAL QG . . 3.580 2.322 1.962 3.235 . 0 0 "[ . 1 . 2]" 1
137 1 20 PHE QE 1 36 VAL MG1 . . 3.970 2.905 2.602 3.401 . 0 0 "[ . 1 . 2]" 1
138 1 20 PHE QE 1 49 ALA MB . . 5.500 5.313 4.781 5.532 0.032 14 0 "[ . 1 . 2]" 1
139 1 20 PHE QE 1 95 ILE H . . 5.500 4.297 3.502 4.746 . 0 0 "[ . 1 . 2]" 1
140 1 20 PHE QE 1 95 ILE MD . . 3.940 2.930 2.499 3.212 . 0 0 "[ . 1 . 2]" 1
141 1 20 PHE QE 1 95 ILE QG . . 4.200 2.259 1.717 2.727 . 0 0 "[ . 1 . 2]" 1
142 1 20 PHE QE 1 102 ILE HA . . 4.430 4.125 3.678 4.524 0.094 9 0 "[ . 1 . 2]" 1
143 1 20 PHE QE 1 102 ILE HB . . 4.220 2.736 2.146 3.225 . 0 0 "[ . 1 . 2]" 1
144 1 20 PHE QE 1 102 ILE QG . . 4.760 2.530 2.273 2.827 . 0 0 "[ . 1 . 2]" 1
145 1 20 PHE HZ 1 36 VAL MG1 . . 4.640 4.346 3.902 4.647 0.007 20 0 "[ . 1 . 2]" 1
146 1 20 PHE HZ 1 93 ILE HB . . 4.300 3.430 3.119 3.644 . 0 0 "[ . 1 . 2]" 1
147 1 20 PHE HZ 1 93 ILE MG . . 4.010 2.425 2.032 2.896 . 0 0 "[ . 1 . 2]" 1
148 1 20 PHE HZ 1 95 ILE MD . . 4.700 3.817 3.386 4.149 . 0 0 "[ . 1 . 2]" 1
149 1 20 PHE HZ 1 95 ILE QG . . 4.230 2.515 2.035 2.786 . 0 0 "[ . 1 . 2]" 1
150 1 20 PHE HZ 1 102 ILE MD . . 3.910 3.120 2.883 3.702 . 0 0 "[ . 1 . 2]" 1
151 1 20 PHE HZ 1 102 ILE QG . . 4.460 2.731 2.431 3.242 . 0 0 "[ . 1 . 2]" 1
152 1 20 PHE HZ 1 103 THR HA . . 4.880 3.558 2.947 3.894 . 0 0 "[ . 1 . 2]" 1
153 1 20 PHE HZ 1 103 THR MG . . 5.040 4.891 4.442 5.103 0.063 19 0 "[ . 1 . 2]" 1
154 1 20 PHE HZ 1 104 HIS H . . 4.900 4.349 3.764 4.718 . 0 0 "[ . 1 . 2]" 1
155 1 21 THR H 1 21 THR MG . . 3.550 2.537 1.907 3.262 . 0 0 "[ . 1 . 2]" 1
156 1 21 THR H 1 22 LYS H . . 2.930 1.986 1.917 2.064 . 0 0 "[ . 1 . 2]" 1
157 1 21 THR H 1 23 ILE H . . 5.500 5.495 5.465 5.507 0.007 5 0 "[ . 1 . 2]" 1
158 1 21 THR H 1 35 GLU QB . . 5.060 3.793 3.267 4.656 . 0 0 "[ . 1 . 2]" 1
159 1 21 THR H 1 36 VAL HA . . 3.540 2.734 2.481 3.119 . 0 0 "[ . 1 . 2]" 1
160 1 21 THR H 1 36 VAL MG1 . . 4.220 3.275 2.821 3.796 . 0 0 "[ . 1 . 2]" 1
161 1 21 THR HA 1 21 THR MG . . 3.250 2.615 2.194 3.193 . 0 0 "[ . 1 . 2]" 1
162 1 21 THR HA 1 37 GLN HE21 . . 5.380 4.614 3.200 5.380 0.000 16 0 "[ . 1 . 2]" 1
163 1 21 THR HA 1 37 GLN QE . . 4.680 4.210 3.128 4.668 . 0 0 "[ . 1 . 2]" 1
164 1 21 THR HA 1 37 GLN HE22 . . 5.380 5.069 3.584 5.384 0.004 18 0 "[ . 1 . 2]" 1
165 1 21 THR HB 1 79 LYS QE . . 4.630 4.053 3.082 4.570 . 0 0 "[ . 1 . 2]" 1
166 1 21 THR MG 1 22 LYS H . . 4.750 3.286 1.921 4.087 . 0 0 "[ . 1 . 2]" 1
167 1 21 THR MG 1 36 VAL H . . 5.030 4.123 3.013 5.015 . 0 0 "[ . 1 . 2]" 1
168 1 21 THR MG 1 36 VAL HA . . 4.130 2.469 2.020 3.512 . 0 0 "[ . 1 . 2]" 1
169 1 21 THR MG 1 37 GLN H . . 3.860 3.199 2.654 3.819 . 0 0 "[ . 1 . 2]" 1
170 1 21 THR MG 1 37 GLN HA . . 4.850 3.661 3.224 4.118 . 0 0 "[ . 1 . 2]" 1
171 1 21 THR MG 1 37 GLN QE . . 5.000 2.615 1.816 4.294 . 0 0 "[ . 1 . 2]" 1
172 1 21 THR MG 1 38 TYR H . . 5.500 5.410 5.087 5.557 0.057 11 0 "[ . 1 . 2]" 1
173 1 21 THR MG 1 79 LYS QE . . 3.900 3.359 2.239 3.972 0.072 9 0 "[ . 1 . 2]" 1
174 1 22 LYS H 1 23 ILE H . . 5.250 4.134 4.058 4.183 . 0 0 "[ . 1 . 2]" 1
175 1 22 LYS H 1 35 GLU H . . 4.120 3.475 2.994 3.948 . 0 0 "[ . 1 . 2]" 1
176 1 22 LYS H 1 35 GLU QB . . 4.050 2.722 2.109 3.672 . 0 0 "[ . 1 . 2]" 1
177 1 22 LYS H 1 36 VAL HA . . 4.650 4.185 3.820 4.620 . 0 0 "[ . 1 . 2]" 1
178 1 23 ILE H 1 23 ILE HB . . 2.980 2.615 2.598 2.620 . 0 0 "[ . 1 . 2]" 1
179 1 23 ILE H 1 23 ILE MD . . 4.550 3.325 2.045 3.562 . 0 0 "[ . 1 . 2]" 1
180 1 23 ILE H 1 23 ILE HG12 . . 3.760 2.857 1.962 3.724 . 0 0 "[ . 1 . 2]" 1
181 1 23 ILE H 1 23 ILE QG . . 3.150 1.983 1.935 2.506 . 0 0 "[ . 1 . 2]" 1
182 1 23 ILE H 1 23 ILE HG13 . . 3.760 2.461 1.952 3.549 . 0 0 "[ . 1 . 2]" 1
183 1 23 ILE H 1 23 ILE MG . . 3.960 3.764 3.764 3.765 . 0 0 "[ . 1 . 2]" 1
184 1 23 ILE H 1 24 PRO HD3 . . 4.920 4.810 4.807 4.819 . 0 0 "[ . 1 . 2]" 1
185 1 23 ILE HA 1 23 ILE MD . . 4.210 3.265 1.966 3.848 . 0 0 "[ . 1 . 2]" 1
186 1 23 ILE HA 1 23 ILE MG . . 3.350 2.394 2.392 2.396 . 0 0 "[ . 1 . 2]" 1
187 1 23 ILE HA 1 24 PRO HD2 . . 3.520 2.108 2.105 2.111 . 0 0 "[ . 1 . 2]" 1
188 1 23 ILE HA 1 24 PRO HD3 . . 3.140 2.259 2.258 2.260 . 0 0 "[ . 1 . 2]" 1
189 1 23 ILE HB 1 23 ILE MD . . 3.540 2.605 2.042 3.230 . 0 0 "[ . 1 . 2]" 1
190 1 23 ILE HB 1 24 PRO HA . . 5.500 5.300 5.297 5.302 . 0 0 "[ . 1 . 2]" 1
191 1 23 ILE HB 1 24 PRO HD2 . . 4.110 4.032 4.030 4.036 . 0 0 "[ . 1 . 2]" 1
192 1 23 ILE HB 1 24 PRO HD3 . . 5.130 4.924 4.923 4.927 . 0 0 "[ . 1 . 2]" 1
193 1 23 ILE MD 1 24 PRO HD3 . . 5.500 4.853 3.393 5.496 . 0 0 "[ . 1 . 2]" 1
194 1 23 ILE MD 1 104 HIS HE1 . . 5.100 3.322 1.920 4.790 . 0 0 "[ . 1 . 2]" 1
195 1 23 ILE QG 1 23 ILE MG . . 3.050 2.302 2.095 2.340 . 0 0 "[ . 1 . 2]" 1
196 1 23 ILE QG 1 104 HIS HE1 . . 4.540 3.736 2.700 4.360 . 0 0 "[ . 1 . 2]" 1
197 1 23 ILE HG12 1 23 ILE MG . . 3.660 2.610 2.166 3.202 . 0 0 "[ . 1 . 2]" 1
198 1 23 ILE HG13 1 23 ILE MG . . 3.660 2.934 2.356 3.204 . 0 0 "[ . 1 . 2]" 1
199 1 23 ILE MG 1 24 PRO HD2 . . 3.720 1.905 1.901 1.910 . 0 0 "[ . 1 . 2]" 1
200 1 23 ILE MG 1 24 PRO HD3 . . 4.540 3.282 3.278 3.288 . 0 0 "[ . 1 . 2]" 1
201 1 23 ILE MG 1 104 HIS HE1 . . 3.830 2.807 2.245 3.883 0.053 1 0 "[ . 1 . 2]" 1
202 1 24 PRO HA 1 25 ALA H . . 2.840 2.220 2.151 2.376 . 0 0 "[ . 1 . 2]" 1
203 1 24 PRO HA 1 34 VAL HB . . 5.500 5.176 4.919 5.508 0.008 16 0 "[ . 1 . 2]" 1
204 1 24 PRO HA 1 34 VAL QG . . 5.440 4.771 3.303 5.094 . 0 0 "[ . 1 . 2]" 1
205 1 24 PRO QB 1 32 VAL MG1 . . 4.540 3.476 3.187 3.716 . 0 0 "[ . 1 . 2]" 1
206 1 24 PRO QB 1 32 VAL MG2 . . 4.060 1.893 1.818 1.981 . 0 0 "[ . 1 . 2]" 1
207 1 24 PRO QB 1 34 VAL QG . . 4.530 3.633 2.171 3.851 . 0 0 "[ . 1 . 2]" 1
208 1 24 PRO QB 1 93 ILE QG . . 4.440 4.264 3.925 4.505 0.065 18 0 "[ . 1 . 2]" 1
209 1 24 PRO HB2 1 32 VAL MG2 . . 4.830 1.974 1.893 2.076 . 0 0 "[ . 1 . 2]" 1
210 1 24 PRO HB2 1 34 VAL QG . . 5.200 4.999 3.531 5.221 0.021 1 0 "[ . 1 . 2]" 1
211 1 24 PRO HB2 1 93 ILE MD . . 4.820 2.848 2.665 3.198 . 0 0 "[ . 1 . 2]" 1
212 1 24 PRO HB3 1 32 VAL MG2 . . 4.830 2.440 2.319 2.673 . 0 0 "[ . 1 . 2]" 1
213 1 24 PRO HB3 1 34 VAL QG . . 5.200 3.734 2.192 3.967 . 0 0 "[ . 1 . 2]" 1
214 1 24 PRO HB3 1 93 ILE MD . . 4.820 2.734 2.491 3.058 . 0 0 "[ . 1 . 2]" 1
215 1 24 PRO HD3 1 34 VAL QG . . 4.370 3.974 3.368 4.234 . 0 0 "[ . 1 . 2]" 1
216 1 24 PRO HD3 1 93 ILE MD . . 4.150 3.742 3.436 4.083 . 0 0 "[ . 1 . 2]" 1
217 1 24 PRO HD3 1 93 ILE MG . . 5.100 4.823 4.560 5.056 . 0 0 "[ . 1 . 2]" 1
218 1 24 PRO QG 1 34 VAL QG . . 4.430 4.082 3.106 4.334 . 0 0 "[ . 1 . 2]" 1
219 1 24 PRO QG 1 93 ILE QG . . 4.750 3.935 3.658 4.114 . 0 0 "[ . 1 . 2]" 1
220 1 25 ALA H 1 25 ALA MB . . 3.170 2.762 2.556 2.877 . 0 0 "[ . 1 . 2]" 1
221 1 25 ALA H 1 26 GLU H . . 5.360 4.079 3.905 4.321 . 0 0 "[ . 1 . 2]" 1
222 1 25 ALA H 1 32 VAL MG1 . . 4.700 4.605 4.356 4.718 0.018 18 0 "[ . 1 . 2]" 1
223 1 25 ALA H 1 32 VAL MG2 . . 4.530 1.910 1.816 2.004 . 0 0 "[ . 1 . 2]" 1
224 1 25 ALA H 1 33 THR H . . 3.870 3.031 2.647 3.216 . 0 0 "[ . 1 . 2]" 1
225 1 25 ALA HA 1 26 GLU H . . 2.880 2.160 2.142 2.224 . 0 0 "[ . 1 . 2]" 1
226 1 25 ALA HA 1 26 GLU HA . . 4.380 4.364 4.326 4.387 0.007 18 0 "[ . 1 . 2]" 1
227 1 25 ALA HA 1 26 GLU QB . . 5.220 4.060 4.017 4.240 . 0 0 "[ . 1 . 2]" 1
228 1 25 ALA MB 1 26 GLU H . . 3.410 3.120 2.840 3.267 . 0 0 "[ . 1 . 2]" 1
229 1 25 ALA MB 1 26 GLU HA . . 5.370 4.411 4.313 4.466 . 0 0 "[ . 1 . 2]" 1
230 1 26 GLU H 1 26 GLU QB . . 3.010 2.205 2.064 2.425 . 0 0 "[ . 1 . 2]" 1
231 1 26 GLU H 1 26 GLU QG . . 4.760 3.830 2.515 4.052 . 0 0 "[ . 1 . 2]" 1
232 1 26 GLU H 1 32 VAL MG1 . . 5.500 5.465 5.226 5.516 0.016 6 0 "[ . 1 . 2]" 1
233 1 26 GLU H 1 106 TRP HH2 . . 3.910 1.995 1.758 2.266 . 0 0 "[ . 1 . 2]" 1
234 1 26 GLU HA 1 26 GLU HG2 . . 4.180 2.842 2.335 3.573 . 0 0 "[ . 1 . 2]" 1
235 1 26 GLU HA 1 26 GLU QG . . 3.560 2.359 2.102 3.322 . 0 0 "[ . 1 . 2]" 1
236 1 26 GLU HA 1 26 GLU HG3 . . 4.180 2.709 2.125 3.951 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLU HA 1 27 THR H . . 3.150 2.286 2.252 2.300 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLU HA 1 27 THR MG . . 5.170 3.606 3.292 3.978 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLU HA 1 32 VAL HA . . 3.510 3.009 2.604 3.104 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU HA 1 32 VAL MG2 . . 4.590 3.669 3.586 3.775 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU HA 1 33 THR H . . 5.040 4.963 4.506 5.051 0.011 1 0 "[ . 1 . 2]" 1
242 1 26 GLU HA 1 33 THR MG . . 5.500 5.507 5.491 5.516 0.016 11 0 "[ . 1 . 2]" 1
243 1 26 GLU QB 1 32 VAL HA . . 5.500 4.664 4.303 4.998 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLU QB 1 106 TRP HH2 . . 3.420 2.564 1.937 3.333 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLU QB 1 106 TRP HZ2 . . 3.270 2.295 1.865 3.042 . 0 0 "[ . 1 . 2]" 1
246 1 26 GLU QG 1 27 THR H . . 3.500 2.242 2.009 3.506 0.006 3 0 "[ . 1 . 2]" 1
247 1 26 GLU QG 1 30 GLY H . . 4.990 3.345 3.017 4.747 . 0 0 "[ . 1 . 2]" 1
248 1 26 GLU QG 1 30 GLY QA . . 4.100 2.160 1.900 3.670 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLU QG 1 31 THR H . . 4.610 2.865 2.413 4.612 0.002 3 0 "[ . 1 . 2]" 1
250 1 26 GLU QG 1 106 TRP HZ2 . . 3.910 3.662 2.992 3.986 0.076 6 0 "[ . 1 . 2]" 1
251 1 26 GLU HG2 1 27 THR H . . 4.120 2.435 2.017 4.065 . 0 0 "[ . 1 . 2]" 1
252 1 26 GLU HG3 1 27 THR H . . 4.120 3.200 2.126 3.972 . 0 0 "[ . 1 . 2]" 1
253 1 27 THR H 1 27 THR MG . . 3.400 2.594 2.226 2.868 . 0 0 "[ . 1 . 2]" 1
254 1 27 THR H 1 32 VAL MG2 . . 5.500 5.494 5.380 5.525 0.025 3 0 "[ . 1 . 2]" 1
255 1 27 THR HA 1 27 THR MG . . 3.160 2.622 2.303 3.188 0.028 12 0 "[ . 1 . 2]" 1
256 1 27 THR HB 1 28 LEU H . . 3.490 2.460 1.941 3.611 0.121 16 0 "[ . 1 . 2]" 1
257 1 27 THR HB 1 29 HIS H . . 4.140 3.564 2.993 4.247 0.107 11 0 "[ . 1 . 2]" 1
258 1 27 THR MG 1 28 LEU H . . 4.910 3.408 2.880 3.665 . 0 0 "[ . 1 . 2]" 1
259 1 28 LEU H 1 28 LEU HB2 . . 3.870 2.557 2.142 3.571 . 0 0 "[ . 1 . 2]" 1
260 1 28 LEU H 1 28 LEU HB3 . . 3.870 3.039 2.323 3.586 . 0 0 "[ . 1 . 2]" 1
261 1 28 LEU H 1 29 HIS H . . 4.700 2.729 2.684 2.753 . 0 0 "[ . 1 . 2]" 1
262 1 28 LEU HA 1 28 LEU QD . . 3.340 2.438 1.992 3.361 0.021 2 0 "[ . 1 . 2]" 1
263 1 28 LEU QB 1 29 HIS H . . 4.260 2.883 2.698 3.536 . 0 0 "[ . 1 . 2]" 1
264 1 28 LEU QB 1 29 HIS QB . . 5.030 4.095 3.560 4.792 . 0 0 "[ . 1 . 2]" 1
265 1 28 LEU QD 1 29 HIS H . . 4.840 3.780 1.926 4.198 . 0 0 "[ . 1 . 2]" 1
266 1 29 HIS H 1 29 HIS QB . . 3.520 2.213 2.129 2.345 . 0 0 "[ . 1 . 2]" 1
267 1 29 HIS H 1 30 GLY H . . 3.560 2.577 2.529 2.770 . 0 0 "[ . 1 . 2]" 1
268 1 29 HIS H 1 30 GLY QA . . 5.140 4.435 4.426 4.440 . 0 0 "[ . 1 . 2]" 1
269 1 29 HIS H 1 31 THR MG . . 5.220 5.151 4.477 5.220 0.000 20 0 "[ . 1 . 2]" 1
270 1 29 HIS HA 1 29 HIS HD2 . . 4.660 4.162 3.389 4.635 . 0 0 "[ . 1 . 2]" 1
271 1 29 HIS QB 1 29 HIS HD2 . . 3.480 2.715 2.627 2.955 . 0 0 "[ . 1 . 2]" 1
272 1 29 HIS QB 1 30 GLY H . . 4.220 3.029 2.830 3.736 . 0 0 "[ . 1 . 2]" 1
273 1 29 HIS QB 1 31 THR H . . 4.700 3.246 2.994 3.620 . 0 0 "[ . 1 . 2]" 1
274 1 29 HIS QB 1 31 THR MG . . 4.600 2.881 2.182 3.278 . 0 0 "[ . 1 . 2]" 1
275 1 29 HIS HD2 1 31 THR MG . . 3.920 2.642 2.030 3.926 0.006 12 0 "[ . 1 . 2]" 1
276 1 30 GLY H 1 31 THR H . . 3.620 2.431 2.286 2.849 . 0 0 "[ . 1 . 2]" 1
277 1 30 GLY H 1 31 THR MG . . 5.500 4.250 3.909 5.372 . 0 0 "[ . 1 . 2]" 1
278 1 30 GLY QA 1 31 THR MG . . 5.140 3.722 3.413 4.555 . 0 0 "[ . 1 . 2]" 1
279 1 31 THR HA 1 31 THR MG . . 3.380 2.262 1.962 2.353 . 0 0 "[ . 1 . 2]" 1
280 1 31 THR HA 1 85 ASP HA . . 3.980 3.296 2.848 3.711 . 0 0 "[ . 1 . 2]" 1
281 1 31 THR HA 1 86 PRO QD . . 4.200 3.954 3.483 4.225 0.025 6 0 "[ . 1 . 2]" 1
282 1 31 THR MG 1 85 ASP HA . . 3.830 3.738 3.267 3.909 0.079 6 0 "[ . 1 . 2]" 1
283 1 31 THR MG 1 85 ASP HB2 . . 4.660 3.140 2.519 4.043 . 0 0 "[ . 1 . 2]" 1
284 1 31 THR MG 1 85 ASP HB3 . . 5.500 4.466 3.896 5.410 . 0 0 "[ . 1 . 2]" 1
285 1 32 VAL H 1 32 VAL HB . . 3.500 2.979 2.895 3.123 . 0 0 "[ . 1 . 2]" 1
286 1 32 VAL H 1 32 VAL MG1 . . 4.030 2.056 1.927 2.106 . 0 0 "[ . 1 . 2]" 1
287 1 32 VAL H 1 32 VAL MG2 . . 4.560 3.892 3.852 3.906 . 0 0 "[ . 1 . 2]" 1
288 1 32 VAL H 1 84 LEU H . . 3.670 3.189 2.559 3.417 . 0 0 "[ . 1 . 2]" 1
289 1 32 VAL H 1 86 PRO QD . . 4.480 3.498 3.013 3.944 . 0 0 "[ . 1 . 2]" 1
290 1 32 VAL H 1 86 PRO QG . . 5.350 4.948 4.281 5.299 . 0 0 "[ . 1 . 2]" 1
291 1 32 VAL HA 1 32 VAL MG2 . . 3.660 2.263 2.167 2.348 . 0 0 "[ . 1 . 2]" 1
292 1 32 VAL HA 1 33 THR H . . 2.990 2.209 2.154 2.299 . 0 0 "[ . 1 . 2]" 1
293 1 32 VAL HB 1 84 LEU H . . 5.500 5.451 4.876 5.558 0.058 18 0 "[ . 1 . 2]" 1
294 1 32 VAL HB 1 84 LEU QB . . 4.680 4.497 4.255 4.680 0.000 7 0 "[ . 1 . 2]" 1
295 1 32 VAL HB 1 86 PRO QD . . 5.290 3.996 3.643 4.291 . 0 0 "[ . 1 . 2]" 1
296 1 32 VAL MG1 1 33 THR H . . 4.020 3.710 3.459 3.980 . 0 0 "[ . 1 . 2]" 1
297 1 32 VAL MG1 1 33 THR MG . . 5.500 4.546 4.386 4.895 . 0 0 "[ . 1 . 2]" 1
298 1 32 VAL MG1 1 34 VAL QG . . 4.170 4.053 3.072 4.176 0.006 6 0 "[ . 1 . 2]" 1
299 1 32 VAL MG1 1 84 LEU H . . 4.360 3.171 2.521 3.329 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL MG1 1 84 LEU QB . . 4.170 1.951 1.774 2.117 . 0 0 "[ . 1 . 2]" 1
301 1 32 VAL MG1 1 84 LEU QD . . 3.970 2.616 1.887 2.944 . 0 0 "[ . 1 . 2]" 1
302 1 32 VAL MG1 1 86 PRO HG2 . . 4.420 3.594 3.061 3.898 . 0 0 "[ . 1 . 2]" 1
303 1 32 VAL MG1 1 86 PRO QG . . 3.780 2.716 2.049 3.116 . 0 0 "[ . 1 . 2]" 1
304 1 32 VAL MG1 1 86 PRO HG3 . . 4.420 2.817 2.081 3.292 . 0 0 "[ . 1 . 2]" 1
305 1 32 VAL MG1 1 93 ILE MD . . 3.780 3.409 2.872 3.765 . 0 0 "[ . 1 . 2]" 1
306 1 32 VAL MG1 1 93 ILE QG . . 4.520 4.209 3.531 4.530 0.010 18 0 "[ . 1 . 2]" 1
307 1 32 VAL MG2 1 33 THR H . . 3.940 2.162 1.964 2.383 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL MG2 1 33 THR HB . . 5.500 5.148 4.988 5.242 . 0 0 "[ . 1 . 2]" 1
309 1 32 VAL MG2 1 34 VAL HB . . 5.500 4.306 4.048 5.485 . 0 0 "[ . 1 . 2]" 1
310 1 32 VAL MG2 1 34 VAL QG . . 4.670 4.199 2.870 4.411 . 0 0 "[ . 1 . 2]" 1
311 1 32 VAL MG2 1 86 PRO HD2 . . 5.500 5.147 4.850 5.430 . 0 0 "[ . 1 . 2]" 1
312 1 32 VAL MG2 1 86 PRO QD . . 4.730 4.599 4.320 4.834 0.104 18 0 "[ . 1 . 2]" 1
313 1 32 VAL MG2 1 86 PRO HD3 . . 5.500 5.183 4.847 5.505 0.005 4 0 "[ . 1 . 2]" 1
314 1 32 VAL MG2 1 86 PRO QG . . 5.350 4.540 3.996 4.951 . 0 0 "[ . 1 . 2]" 1
315 1 32 VAL MG2 1 93 ILE MD . . 3.880 3.072 2.757 3.549 . 0 0 "[ . 1 . 2]" 1
316 1 32 VAL MG2 1 93 ILE QG . . 5.350 4.559 3.868 4.965 . 0 0 "[ . 1 . 2]" 1
317 1 33 THR H 1 33 THR MG . . 3.660 2.453 2.091 2.792 . 0 0 "[ . 1 . 2]" 1
318 1 33 THR HA 1 33 THR MG . . 3.380 2.459 2.204 2.492 . 0 0 "[ . 1 . 2]" 1
319 1 33 THR HA 1 34 VAL H . . 2.890 2.240 2.200 2.321 . 0 0 "[ . 1 . 2]" 1
320 1 33 THR HA 1 34 VAL HA . . 5.500 4.423 4.400 4.470 . 0 0 "[ . 1 . 2]" 1
321 1 33 THR HB 1 34 VAL H . . 3.750 2.873 2.627 3.017 . 0 0 "[ . 1 . 2]" 1
322 1 33 THR HB 1 81 MET QB . . 5.050 4.286 2.932 5.012 . 0 0 "[ . 1 . 2]" 1
323 1 33 THR HB 1 81 MET HG2 . . 5.210 2.717 2.123 4.469 . 0 0 "[ . 1 . 2]" 1
324 1 33 THR HB 1 81 MET QG . . 4.430 2.372 2.005 3.122 . 0 0 "[ . 1 . 2]" 1
325 1 33 THR HB 1 81 MET HG3 . . 5.210 3.110 2.020 3.947 . 0 0 "[ . 1 . 2]" 1
326 1 33 THR HB 1 82 LEU H . . 5.500 3.211 2.286 3.944 . 0 0 "[ . 1 . 2]" 1
327 1 33 THR MG 1 34 VAL H . . 4.250 3.980 3.667 4.055 . 0 0 "[ . 1 . 2]" 1
328 1 33 THR MG 1 34 VAL HA . . 5.500 5.492 5.407 5.519 0.019 6 0 "[ . 1 . 2]" 1
329 1 33 THR MG 1 81 MET HG2 . . 4.700 3.404 2.565 4.462 . 0 0 "[ . 1 . 2]" 1
330 1 33 THR MG 1 81 MET QG . . 4.040 3.154 2.474 3.597 . 0 0 "[ . 1 . 2]" 1
331 1 33 THR MG 1 81 MET HG3 . . 4.700 3.923 3.171 4.695 . 0 0 "[ . 1 . 2]" 1
332 1 33 THR MG 1 83 GLU QG . . 4.310 2.917 2.244 3.727 . 0 0 "[ . 1 . 2]" 1
333 1 34 VAL H 1 34 VAL HB . . 3.950 3.254 3.030 3.836 . 0 0 "[ . 1 . 2]" 1
334 1 34 VAL H 1 34 VAL QG . . 3.540 2.054 1.916 2.197 . 0 0 "[ . 1 . 2]" 1
335 1 34 VAL H 1 81 MET QG . . 4.470 3.981 3.378 4.487 0.017 16 0 "[ . 1 . 2]" 1
336 1 34 VAL H 1 82 LEU H . . 3.560 2.775 1.992 3.117 . 0 0 "[ . 1 . 2]" 1
337 1 34 VAL H 1 82 LEU QB . . 4.610 3.014 2.235 4.283 . 0 0 "[ . 1 . 2]" 1
338 1 34 VAL H 1 83 GLU H . . 5.500 5.066 4.714 5.494 . 0 0 "[ . 1 . 2]" 1
339 1 34 VAL H 1 84 LEU QD . . 4.550 3.159 2.400 3.618 . 0 0 "[ . 1 . 2]" 1
340 1 34 VAL HA 1 34 VAL QG . . 3.170 2.266 2.174 2.332 . 0 0 "[ . 1 . 2]" 1
341 1 34 VAL HA 1 35 GLU H . . 3.090 2.162 2.143 2.204 . 0 0 "[ . 1 . 2]" 1
342 1 34 VAL HA 1 35 GLU HA . . 5.160 4.406 4.391 4.436 . 0 0 "[ . 1 . 2]" 1
343 1 34 VAL HB 1 82 LEU QB . . 5.180 4.628 4.034 5.191 0.011 13 0 "[ . 1 . 2]" 1
344 1 34 VAL HB 1 84 LEU QD . . 4.520 2.759 1.952 4.241 . 0 0 "[ . 1 . 2]" 1
345 1 34 VAL QG 1 35 GLU H . . 3.860 2.564 2.089 3.455 . 0 0 "[ . 1 . 2]" 1
346 1 34 VAL QG 1 35 GLU HA . . 4.520 3.370 3.231 3.722 . 0 0 "[ . 1 . 2]" 1
347 1 34 VAL QG 1 49 ALA MB . . 3.160 2.797 1.986 3.190 0.030 18 0 "[ . 1 . 2]" 1
348 1 34 VAL QG 1 82 LEU QB . . 4.110 2.135 1.787 2.785 . 0 0 "[ . 1 . 2]" 1
349 1 34 VAL QG 1 84 LEU MD1 . . 2.890 1.974 1.734 2.843 . 0 0 "[ . 1 . 2]" 1
350 1 34 VAL QG 1 84 LEU QD . . 2.320 1.861 1.650 2.130 . 0 0 "[ . 1 . 2]" 1
351 1 34 VAL QG 1 84 LEU MD2 . . 2.890 2.554 1.672 2.902 0.012 17 0 "[ . 1 . 2]" 1
352 1 34 VAL QG 1 95 ILE MD . . 2.930 2.194 1.766 2.642 . 0 0 "[ . 1 . 2]" 1
353 1 35 GLU HA 1 35 GLU HG2 . . 4.100 2.686 2.386 3.273 . 0 0 "[ . 1 . 2]" 1
354 1 35 GLU HA 1 35 GLU QG . . 3.400 2.298 2.009 2.447 . 0 0 "[ . 1 . 2]" 1
355 1 35 GLU HA 1 35 GLU HG3 . . 4.100 2.636 2.027 3.562 . 0 0 "[ . 1 . 2]" 1
356 1 35 GLU HA 1 36 VAL H . . 2.850 2.188 2.145 2.306 . 0 0 "[ . 1 . 2]" 1
357 1 35 GLU HA 1 36 VAL MG2 . . 3.950 3.635 3.442 3.808 . 0 0 "[ . 1 . 2]" 1
358 1 35 GLU HA 1 80 MET H . . 4.230 3.853 3.292 4.172 . 0 0 "[ . 1 . 2]" 1
359 1 35 GLU QG 1 36 VAL H . . 3.570 2.580 2.212 3.027 . 0 0 "[ . 1 . 2]" 1
360 1 35 GLU QG 1 36 VAL HA . . 5.070 4.248 4.050 4.848 . 0 0 "[ . 1 . 2]" 1
361 1 35 GLU QG 1 36 VAL MG2 . . 4.640 4.151 3.863 4.434 . 0 0 "[ . 1 . 2]" 1
362 1 35 GLU QG 1 80 MET H . . 3.750 2.397 1.865 2.934 . 0 0 "[ . 1 . 2]" 1
363 1 35 GLU HG2 1 36 VAL H . . 4.210 2.699 2.265 3.800 . 0 0 "[ . 1 . 2]" 1
364 1 35 GLU HG2 1 80 MET HA . . 4.900 4.669 4.378 4.935 0.035 9 0 "[ . 1 . 2]" 1
365 1 35 GLU HG3 1 36 VAL H . . 4.210 3.625 2.803 4.208 . 0 0 "[ . 1 . 2]" 1
366 1 35 GLU HG3 1 80 MET HA . . 4.900 3.919 3.460 4.594 . 0 0 "[ . 1 . 2]" 1
367 1 36 VAL H 1 36 VAL MG2 . . 3.140 2.155 1.964 2.462 . 0 0 "[ . 1 . 2]" 1
368 1 36 VAL HA 1 36 VAL MG1 . . 3.420 2.237 2.128 2.324 . 0 0 "[ . 1 . 2]" 1
369 1 36 VAL HA 1 37 GLN H . . 3.110 2.516 2.334 2.609 . 0 0 "[ . 1 . 2]" 1
370 1 36 VAL HB 1 37 GLN H . . 3.600 2.152 1.956 2.554 . 0 0 "[ . 1 . 2]" 1
371 1 36 VAL HB 1 95 ILE MD . . 5.500 5.116 4.590 5.464 . 0 0 "[ . 1 . 2]" 1
372 1 36 VAL HB 1 102 ILE MD . . 5.430 3.444 3.013 3.977 . 0 0 "[ . 1 . 2]" 1
373 1 36 VAL MG1 1 37 GLN H . . 4.310 3.539 3.385 3.730 . 0 0 "[ . 1 . 2]" 1
374 1 36 VAL MG1 1 95 ILE MG . . 3.230 2.598 1.943 3.231 0.001 5 0 "[ . 1 . 2]" 1
375 1 36 VAL MG1 1 102 ILE MD . . 3.500 2.131 1.769 2.723 . 0 0 "[ . 1 . 2]" 1
376 1 36 VAL MG2 1 37 GLN H . . 4.250 3.290 2.973 3.715 . 0 0 "[ . 1 . 2]" 1
377 1 36 VAL MG2 1 80 MET H . . 4.480 4.202 3.642 4.514 0.034 10 0 "[ . 1 . 2]" 1
378 1 36 VAL MG2 1 95 ILE MG . . 4.110 2.271 1.850 2.651 . 0 0 "[ . 1 . 2]" 1
379 1 37 GLN HA 1 38 TYR H . . 3.020 2.176 2.138 2.364 . 0 0 "[ . 1 . 2]" 1
380 1 37 GLN HA 1 79 LYS HA . . 3.700 3.461 2.757 3.836 0.136 20 0 "[ . 1 . 2]" 1
381 1 37 GLN HA 1 79 LYS QG . . 4.790 3.773 2.170 4.881 0.091 7 0 "[ . 1 . 2]" 1
382 1 38 TYR H 1 38 TYR HB2 . . 3.900 2.691 2.217 3.622 . 0 0 "[ . 1 . 2]" 1
383 1 38 TYR H 1 38 TYR QB . . 3.400 2.448 2.193 2.715 . 0 0 "[ . 1 . 2]" 1
384 1 38 TYR H 1 38 TYR HB3 . . 3.900 3.137 2.417 3.811 . 0 0 "[ . 1 . 2]" 1
385 1 38 TYR H 1 39 ALA H . . 4.810 4.265 4.008 4.585 . 0 0 "[ . 1 . 2]" 1
386 1 38 TYR H 1 39 ALA MB . . 5.410 4.929 4.463 5.367 . 0 0 "[ . 1 . 2]" 1
387 1 38 TYR H 1 71 ILE MD . . 5.080 4.462 3.788 5.033 . 0 0 "[ . 1 . 2]" 1
388 1 38 TYR H 1 71 ILE MG . . 5.500 5.146 4.547 5.595 0.095 9 0 "[ . 1 . 2]" 1
389 1 38 TYR H 1 78 SER QB . . 5.500 4.145 3.350 4.969 . 0 0 "[ . 1 . 2]" 1
390 1 38 TYR H 1 79 LYS HA . . 4.130 3.739 2.931 4.284 0.154 7 0 "[ . 1 . 2]" 1
391 1 38 TYR HA 1 39 ALA H . . 3.100 2.168 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
392 1 38 TYR QB 1 71 ILE MD . . 3.910 2.937 2.282 3.400 . 0 0 "[ . 1 . 2]" 1
393 1 38 TYR QB 1 71 ILE MG . . 4.860 3.229 2.682 3.973 . 0 0 "[ . 1 . 2]" 1
394 1 38 TYR QB 1 78 SER H . . 4.670 3.818 2.670 4.756 0.086 6 0 "[ . 1 . 2]" 1
395 1 38 TYR HB2 1 39 ALA H . . 5.500 4.329 2.926 4.594 . 0 0 "[ . 1 . 2]" 1
396 1 38 TYR HB2 1 71 ILE MD . . 4.560 3.227 2.351 4.189 . 0 0 "[ . 1 . 2]" 1
397 1 38 TYR HB3 1 39 ALA H . . 5.500 4.004 3.502 4.434 . 0 0 "[ . 1 . 2]" 1
398 1 38 TYR HB3 1 71 ILE MD . . 4.560 3.560 2.924 4.427 . 0 0 "[ . 1 . 2]" 1
399 1 38 TYR QD 1 47 VAL HA . . 5.280 4.790 3.399 5.296 0.016 2 0 "[ . 1 . 2]" 1
400 1 38 TYR QD 1 47 VAL MG1 . . 4.720 3.347 1.971 4.707 . 0 0 "[ . 1 . 2]" 1
401 1 38 TYR QD 1 47 VAL QG . . 4.020 2.785 1.966 3.799 . 0 0 "[ . 1 . 2]" 1
402 1 38 TYR QD 1 47 VAL MG2 . . 4.720 3.406 2.005 4.721 0.001 6 0 "[ . 1 . 2]" 1
403 1 38 TYR QD 1 71 ILE MD . . 3.860 3.003 1.987 3.844 . 0 0 "[ . 1 . 2]" 1
404 1 39 ALA H 1 39 ALA MB . . 3.050 2.378 2.098 2.618 . 0 0 "[ . 1 . 2]" 1
405 1 39 ALA H 1 40 GLY QA . . 5.340 4.353 4.027 4.737 . 0 0 "[ . 1 . 2]" 1
406 1 39 ALA MB 1 76 GLU HA . . 5.500 5.155 3.979 5.547 0.047 11 0 "[ . 1 . 2]" 1
407 1 39 ALA MB 1 77 ASN H . . 4.900 3.796 2.627 4.800 . 0 0 "[ . 1 . 2]" 1
408 1 40 GLY QA 1 41 THR H . . 3.030 2.222 2.108 2.775 . 0 0 "[ . 1 . 2]" 1
409 1 40 GLY QA 1 42 ASP H . . 4.140 3.564 3.175 4.142 0.002 18 0 "[ . 1 . 2]" 1
410 1 41 THR H 1 41 THR MG . . 3.970 2.930 1.922 3.943 . 0 0 "[ . 1 . 2]" 1
411 1 41 THR H 1 42 ASP H . . 3.230 2.810 1.901 3.128 . 0 0 "[ . 1 . 2]" 1
412 1 41 THR MG 1 43 GLY H . . 5.500 4.201 2.035 5.506 0.006 11 0 "[ . 1 . 2]" 1
413 1 42 ASP H 1 42 ASP HB2 . . 3.890 3.272 2.428 3.930 0.040 20 0 "[ . 1 . 2]" 1
414 1 42 ASP H 1 42 ASP QB . . 3.350 2.906 2.254 3.387 0.037 19 0 "[ . 1 . 2]" 1
415 1 42 ASP H 1 42 ASP HB3 . . 3.890 3.435 2.579 3.903 0.013 6 0 "[ . 1 . 2]" 1
416 1 42 ASP H 1 43 GLY H . . 3.690 3.012 2.463 3.691 0.001 18 0 "[ . 1 . 2]" 1
417 1 42 ASP HB2 1 43 GLY H . . 5.470 4.247 2.254 4.663 . 0 0 "[ . 1 . 2]" 1
418 1 42 ASP HB3 1 43 GLY H . . 5.470 4.239 2.751 4.616 . 0 0 "[ . 1 . 2]" 1
419 1 43 GLY H 1 71 ILE MG . . 5.500 4.690 3.844 5.513 0.013 12 0 "[ . 1 . 2]" 1
420 1 43 GLY QA 1 45 CYS H . . 3.600 2.553 2.156 3.424 . 0 0 "[ . 1 . 2]" 1
421 1 43 GLY QA 1 71 ILE MG . . 4.910 3.606 2.463 4.605 . 0 0 "[ . 1 . 2]" 1
422 1 43 GLY HA2 1 45 CYS H . . 4.310 2.875 2.458 3.811 . 0 0 "[ . 1 . 2]" 1
423 1 43 GLY HA3 1 45 CYS H . . 4.310 2.857 2.385 3.879 . 0 0 "[ . 1 . 2]" 1
424 1 44 PRO HA 1 45 CYS H . . 2.920 2.193 2.151 2.416 . 0 0 "[ . 1 . 2]" 1
425 1 44 PRO HA 1 70 VAL MG2 . . 5.070 4.517 2.840 5.130 0.060 11 0 "[ . 1 . 2]" 1
426 1 44 PRO HA 1 72 THR HA . . 4.290 3.975 3.278 4.319 0.029 18 0 "[ . 1 . 2]" 1
427 1 44 PRO QB 1 70 VAL MG2 . . 4.370 3.332 1.922 4.363 . 0 0 "[ . 1 . 2]" 1
428 1 44 PRO QB 1 72 THR HA . . 3.610 3.317 2.603 3.757 0.147 6 0 "[ . 1 . 2]" 1
429 1 45 CYS HA 1 46 LYS H . . 3.150 2.360 2.235 2.491 . 0 0 "[ . 1 . 2]" 1
430 1 45 CYS HA 1 46 LYS QB . . 4.990 4.245 3.985 4.604 . 0 0 "[ . 1 . 2]" 1
431 1 45 CYS QB 1 46 LYS H . . 3.450 2.784 2.256 3.452 0.002 6 0 "[ . 1 . 2]" 1
432 1 46 LYS H 1 46 LYS HB2 . . 3.620 2.873 2.196 3.634 0.014 11 0 "[ . 1 . 2]" 1
433 1 46 LYS H 1 46 LYS QB . . 3.140 2.406 2.174 2.712 . 0 0 "[ . 1 . 2]" 1
434 1 46 LYS H 1 46 LYS HB3 . . 3.620 2.881 2.472 3.632 0.012 6 0 "[ . 1 . 2]" 1
435 1 46 LYS HA 1 47 VAL H . . 3.040 2.211 2.141 2.264 . 0 0 "[ . 1 . 2]" 1
436 1 46 LYS HA 1 47 VAL QG . . 3.830 3.451 3.236 3.689 . 0 0 "[ . 1 . 2]" 1
437 1 46 LYS QB 1 46 LYS QE . . 3.070 2.375 2.033 2.964 . 0 0 "[ . 1 . 2]" 1
438 1 46 LYS QB 1 47 VAL HA . . 5.340 4.490 4.178 4.785 . 0 0 "[ . 1 . 2]" 1
439 1 47 VAL H 1 47 VAL HB . . 3.770 2.959 2.526 3.756 . 0 0 "[ . 1 . 2]" 1
440 1 47 VAL H 1 47 VAL MG1 . . 4.380 3.315 1.938 3.861 . 0 0 "[ . 1 . 2]" 1
441 1 47 VAL H 1 47 VAL QG . . 3.230 2.309 1.859 2.720 . 0 0 "[ . 1 . 2]" 1
442 1 47 VAL H 1 47 VAL MG2 . . 4.380 2.523 1.906 3.786 . 0 0 "[ . 1 . 2]" 1
443 1 47 VAL H 1 69 PRO QG . . 5.180 4.381 3.315 5.200 0.020 8 0 "[ . 1 . 2]" 1
444 1 47 VAL HA 1 47 VAL MG1 . . 3.570 2.404 2.207 3.186 . 0 0 "[ . 1 . 2]" 1
445 1 47 VAL HA 1 47 VAL MG2 . . 3.570 2.609 2.292 3.194 . 0 0 "[ . 1 . 2]" 1
446 1 47 VAL HA 1 48 PRO QD . . 3.680 1.950 1.883 2.096 . 0 0 "[ . 1 . 2]" 1
447 1 47 VAL QG 1 48 PRO HA . . 4.460 4.273 3.814 4.474 0.014 1 0 "[ . 1 . 2]" 1
448 1 47 VAL QG 1 48 PRO QD . . 3.880 2.762 1.882 2.971 . 0 0 "[ . 1 . 2]" 1
449 1 47 VAL QG 1 49 ALA H . . 5.250 4.822 4.468 5.073 . 0 0 "[ . 1 . 2]" 1
450 1 47 VAL QG 1 49 ALA MB . . 3.520 3.248 2.984 3.523 0.003 14 0 "[ . 1 . 2]" 1
451 1 47 VAL QG 1 69 PRO QB . . 4.190 3.809 2.349 4.250 0.060 14 0 "[ . 1 . 2]" 1
452 1 47 VAL QG 1 70 VAL HA . . 3.840 3.298 2.267 3.848 0.008 13 0 "[ . 1 . 2]" 1
453 1 47 VAL QG 1 71 ILE MD . . 3.560 2.528 1.881 3.576 0.016 13 0 "[ . 1 . 2]" 1
454 1 47 VAL QG 1 71 ILE QG . . 3.120 2.496 1.876 3.147 0.027 13 0 "[ . 1 . 2]" 1
455 1 47 VAL QG 1 82 LEU QD . . 3.480 2.702 1.763 3.372 . 0 0 "[ . 1 . 2]" 1
456 1 47 VAL QG 1 95 ILE MD . . 3.730 3.679 3.494 3.791 0.061 13 0 "[ . 1 . 2]" 1
457 1 47 VAL MG1 1 48 PRO QD . . 4.640 3.037 1.893 4.110 . 0 0 "[ . 1 . 2]" 1
458 1 47 VAL MG2 1 48 PRO QD . . 4.640 3.474 1.893 3.753 . 0 0 "[ . 1 . 2]" 1
459 1 48 PRO HA 1 49 ALA H . . 2.760 2.188 2.155 2.221 . 0 0 "[ . 1 . 2]" 1
460 1 48 PRO HB2 1 49 ALA H . . 4.240 3.313 3.150 3.532 . 0 0 "[ . 1 . 2]" 1
461 1 48 PRO HB2 1 96 GLY H . . 4.360 2.657 1.921 3.120 . 0 0 "[ . 1 . 2]" 1
462 1 48 PRO HB2 1 96 GLY HA2 . . 4.210 2.669 2.108 3.029 . 0 0 "[ . 1 . 2]" 1
463 1 48 PRO HB2 1 96 GLY QA . . 3.410 2.630 2.093 2.975 . 0 0 "[ . 1 . 2]" 1
464 1 48 PRO HB2 1 96 GLY HA3 . . 4.210 4.030 3.551 4.344 0.134 6 0 "[ . 1 . 2]" 1
465 1 48 PRO HB3 1 49 ALA H . . 4.420 3.857 3.755 3.999 . 0 0 "[ . 1 . 2]" 1
466 1 48 PRO HB3 1 49 ALA HA . . 5.500 5.512 5.497 5.539 0.039 2 0 "[ . 1 . 2]" 1
467 1 48 PRO HB3 1 96 GLY H . . 4.680 4.297 3.415 4.776 0.096 7 0 "[ . 1 . 2]" 1
468 1 48 PRO QD 1 95 ILE MG . . 5.500 3.691 3.378 3.972 . 0 0 "[ . 1 . 2]" 1
469 1 48 PRO QD 1 96 GLY H . . 4.710 4.415 3.933 4.667 . 0 0 "[ . 1 . 2]" 1
470 1 48 PRO QD 1 97 VAL H . . 5.500 5.486 5.391 5.571 0.071 13 0 "[ . 1 . 2]" 1
471 1 49 ALA H 1 49 ALA MB . . 3.360 2.755 2.724 2.779 . 0 0 "[ . 1 . 2]" 1
472 1 49 ALA H 1 50 GLN H . . 4.850 4.100 4.024 4.267 . 0 0 "[ . 1 . 2]" 1
473 1 49 ALA H 1 95 ILE HA . . 5.050 5.032 4.887 5.173 0.123 2 0 "[ . 1 . 2]" 1
474 1 49 ALA HA 1 50 GLN H . . 2.870 2.159 2.142 2.221 . 0 0 "[ . 1 . 2]" 1
475 1 49 ALA HA 1 95 ILE HA . . 3.720 2.693 2.307 3.361 . 0 0 "[ . 1 . 2]" 1
476 1 49 ALA HA 1 95 ILE MD . . 3.870 2.258 1.947 2.565 . 0 0 "[ . 1 . 2]" 1
477 1 49 ALA HA 1 95 ILE MG . . 4.550 3.593 3.283 4.117 . 0 0 "[ . 1 . 2]" 1
478 1 49 ALA HA 1 96 GLY H . . 4.450 3.445 2.748 4.444 . 0 0 "[ . 1 . 2]" 1
479 1 49 ALA MB 1 50 GLN H . . 3.840 3.125 2.849 3.245 . 0 0 "[ . 1 . 2]" 1
480 1 49 ALA MB 1 82 LEU QD . . 3.060 2.662 2.074 3.080 0.020 5 0 "[ . 1 . 2]" 1
481 1 49 ALA MB 1 95 ILE MD . . 2.980 2.166 1.786 2.572 . 0 0 "[ . 1 . 2]" 1
482 1 50 GLN H 1 94 VAL H . . 3.890 3.606 3.056 3.926 0.036 11 0 "[ . 1 . 2]" 1
483 1 50 GLN H 1 94 VAL HB . . 5.240 4.414 3.750 5.328 0.088 16 0 "[ . 1 . 2]" 1
484 1 50 GLN H 1 95 ILE MD . . 4.080 3.159 2.863 3.647 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLN H 1 95 ILE MG . . 5.500 5.068 4.773 5.481 . 0 0 "[ . 1 . 2]" 1
486 1 50 GLN HA 1 51 MET H . . 3.250 2.419 2.228 2.585 . 0 0 "[ . 1 . 2]" 1
487 1 50 GLN QB 1 51 MET H . . 4.010 2.597 2.030 3.454 . 0 0 "[ . 1 . 2]" 1
488 1 50 GLN QE 1 51 MET H . . 5.090 3.644 3.146 4.377 . 0 0 "[ . 1 . 2]" 1
489 1 50 GLN QE 1 52 ALA MB . . 3.570 2.974 2.444 3.545 . 0 0 "[ . 1 . 2]" 1
490 1 50 GLN QE 1 58 LEU HA . . 5.340 4.477 3.648 5.313 . 0 0 "[ . 1 . 2]" 1
491 1 50 GLN QE 1 58 LEU QB . . 4.470 3.496 2.277 4.403 . 0 0 "[ . 1 . 2]" 1
492 1 50 GLN QE 1 58 LEU QD . . 4.710 3.329 2.090 4.200 . 0 0 "[ . 1 . 2]" 1
493 1 50 GLN QE 1 60 PRO HA . . 4.000 2.925 2.008 3.964 . 0 0 "[ . 1 . 2]" 1
494 1 50 GLN QE 1 60 PRO QB . . 5.100 3.717 2.940 4.620 . 0 0 "[ . 1 . 2]" 1
495 1 50 GLN QE 1 60 PRO QD . . 5.180 4.064 2.792 5.101 . 0 0 "[ . 1 . 2]" 1
496 1 50 GLN QE 1 61 VAL H . . 5.340 4.009 3.130 5.170 . 0 0 "[ . 1 . 2]" 1
497 1 50 GLN QE 1 61 VAL QG . . 5.270 4.216 3.658 5.054 . 0 0 "[ . 1 . 2]" 1
498 1 50 GLN HE21 1 52 ALA MB . . 4.180 3.396 2.631 4.143 . 0 0 "[ . 1 . 2]" 1
499 1 50 GLN HE21 1 60 PRO HA . . 4.830 3.410 2.117 4.325 . 0 0 "[ . 1 . 2]" 1
500 1 50 GLN HE22 1 52 ALA MB . . 4.180 3.611 2.673 4.181 0.001 16 0 "[ . 1 . 2]" 1
501 1 50 GLN HE22 1 60 PRO HA . . 4.830 3.380 2.019 4.604 . 0 0 "[ . 1 . 2]" 1
502 1 51 MET H 1 61 VAL H . . 4.710 3.731 2.477 4.693 . 0 0 "[ . 1 . 2]" 1
503 1 51 MET HA 1 51 MET QG . . 3.820 2.999 2.135 3.425 . 0 0 "[ . 1 . 2]" 1
504 1 51 MET HA 1 52 ALA H . . 3.070 2.401 2.146 2.630 . 0 0 "[ . 1 . 2]" 1
505 1 51 MET HA 1 61 VAL QG . . 4.720 4.292 3.531 4.750 0.030 18 0 "[ . 1 . 2]" 1
506 1 51 MET HA 1 92 TYR H . . 4.870 4.398 3.476 4.838 . 0 0 "[ . 1 . 2]" 1
507 1 51 MET HA 1 93 ILE HA . . 4.020 2.795 2.332 3.676 . 0 0 "[ . 1 . 2]" 1
508 1 51 MET HA 1 93 ILE QG . . 5.320 4.390 3.641 5.298 . 0 0 "[ . 1 . 2]" 1
509 1 51 MET HA 1 94 VAL H . . 4.000 2.864 2.276 3.423 . 0 0 "[ . 1 . 2]" 1
510 1 51 MET HA 1 94 VAL QG . . 5.440 3.429 2.984 4.227 . 0 0 "[ . 1 . 2]" 1
511 1 51 MET QB 1 52 ALA H . . 4.320 2.567 1.989 3.682 . 0 0 "[ . 1 . 2]" 1
512 1 51 MET QB 1 61 VAL QG . . 4.460 3.065 1.842 3.976 . 0 0 "[ . 1 . 2]" 1
513 1 51 MET QB 1 93 ILE HA . . 5.010 2.871 1.914 4.259 . 0 0 "[ . 1 . 2]" 1
514 1 51 MET QB 1 93 ILE QG . . 5.170 3.217 2.239 4.359 . 0 0 "[ . 1 . 2]" 1
515 1 51 MET QG 1 52 ALA H . . 4.370 3.421 2.281 4.363 . 0 0 "[ . 1 . 2]" 1
516 1 51 MET QG 1 61 VAL QG . . 3.590 2.724 1.873 3.565 . 0 0 "[ . 1 . 2]" 1
517 1 51 MET QG 1 91 SER HB2 . . 4.370 3.501 2.223 4.445 0.075 10 0 "[ . 1 . 2]" 1
518 1 51 MET QG 1 91 SER QB . . 3.740 2.815 1.915 3.550 . 0 0 "[ . 1 . 2]" 1
519 1 51 MET QG 1 91 SER HB3 . . 4.370 3.161 1.937 4.347 . 0 0 "[ . 1 . 2]" 1
520 1 52 ALA H 1 52 ALA MB . . 3.500 2.775 2.480 2.900 . 0 0 "[ . 1 . 2]" 1
521 1 52 ALA H 1 61 VAL QG . . 4.030 3.653 2.843 4.018 . 0 0 "[ . 1 . 2]" 1
522 1 52 ALA H 1 91 SER QB . . 4.840 3.538 2.008 4.877 0.037 4 0 "[ . 1 . 2]" 1
523 1 52 ALA H 1 92 TYR QB . . 4.480 3.393 3.036 3.793 . 0 0 "[ . 1 . 2]" 1
524 1 52 ALA H 1 93 ILE HA . . 5.170 4.315 3.450 5.145 . 0 0 "[ . 1 . 2]" 1
525 1 52 ALA HA 1 53 VAL H . . 3.370 2.268 2.142 2.604 . 0 0 "[ . 1 . 2]" 1
526 1 52 ALA HA 1 54 ASP H . . 4.740 4.049 3.660 4.495 . 0 0 "[ . 1 . 2]" 1
527 1 52 ALA HA 1 61 VAL MG1 . . 4.790 3.157 1.965 4.657 . 0 0 "[ . 1 . 2]" 1
528 1 52 ALA HA 1 61 VAL QG . . 3.530 2.205 1.911 3.067 . 0 0 "[ . 1 . 2]" 1
529 1 52 ALA HA 1 61 VAL MG2 . . 4.790 2.893 1.915 4.787 . 0 0 "[ . 1 . 2]" 1
530 1 52 ALA MB 1 53 VAL H . . 3.870 2.847 2.016 3.491 . 0 0 "[ . 1 . 2]" 1
531 1 52 ALA MB 1 53 VAL HA . . 4.910 4.357 4.068 4.547 . 0 0 "[ . 1 . 2]" 1
532 1 52 ALA MB 1 54 ASP H . . 3.800 2.967 2.520 3.415 . 0 0 "[ . 1 . 2]" 1
533 1 52 ALA MB 1 54 ASP HA . . 5.240 4.770 4.376 5.044 . 0 0 "[ . 1 . 2]" 1
534 1 52 ALA MB 1 55 MET HA . . 5.180 4.079 3.601 4.498 . 0 0 "[ . 1 . 2]" 1
535 1 52 ALA MB 1 58 LEU H . . 4.570 3.747 3.324 4.264 . 0 0 "[ . 1 . 2]" 1
536 1 52 ALA MB 1 58 LEU HA . . 3.310 2.111 1.885 2.581 . 0 0 "[ . 1 . 2]" 1
537 1 52 ALA MB 1 58 LEU QD . . 2.890 2.313 1.749 2.878 . 0 0 "[ . 1 . 2]" 1
538 1 52 ALA MB 1 58 LEU HG . . 3.840 3.133 1.956 3.896 0.056 13 0 "[ . 1 . 2]" 1
539 1 52 ALA MB 1 92 TYR QB . . 4.720 4.119 3.245 4.698 . 0 0 "[ . 1 . 2]" 1
540 1 53 VAL H 1 53 VAL HB . . 3.810 3.107 2.532 3.724 . 0 0 "[ . 1 . 2]" 1
541 1 53 VAL H 1 53 VAL QG . . 3.480 2.046 1.816 2.416 . 0 0 "[ . 1 . 2]" 1
542 1 53 VAL H 1 54 ASP H . . 3.390 2.476 2.028 2.721 . 0 0 "[ . 1 . 2]" 1
543 1 53 VAL H 1 54 ASP HA . . 5.320 5.127 4.746 5.320 . 0 0 "[ . 1 . 2]" 1
544 1 53 VAL H 1 61 VAL MG1 . . 4.830 3.587 2.449 4.834 0.004 18 0 "[ . 1 . 2]" 1
545 1 53 VAL H 1 61 VAL QG . . 4.040 2.951 2.330 3.605 . 0 0 "[ . 1 . 2]" 1
546 1 53 VAL H 1 61 VAL MG2 . . 4.830 3.680 2.869 4.753 . 0 0 "[ . 1 . 2]" 1
547 1 53 VAL HA 1 61 VAL QG . . 5.440 4.612 4.082 5.010 . 0 0 "[ . 1 . 2]" 1
548 1 53 VAL HA 1 92 TYR QD . . 4.390 3.185 2.139 4.491 0.101 15 0 "[ . 1 . 2]" 1
549 1 53 VAL HB 1 54 ASP H . . 4.190 3.217 2.670 3.766 . 0 0 "[ . 1 . 2]" 1
550 1 53 VAL HB 1 54 ASP HA . . 5.290 4.539 4.337 4.895 . 0 0 "[ . 1 . 2]" 1
551 1 53 VAL QG 1 54 ASP H . . 4.090 2.686 1.912 3.331 . 0 0 "[ . 1 . 2]" 1
552 1 53 VAL QG 1 54 ASP QB . . 5.150 3.389 2.382 4.294 . 0 0 "[ . 1 . 2]" 1
553 1 53 VAL QG 1 61 VAL QG . . 2.970 2.708 2.030 2.981 0.011 1 0 "[ . 1 . 2]" 1
554 1 53 VAL QG 1 91 SER QB . . 4.170 3.358 1.921 4.157 . 0 0 "[ . 1 . 2]" 1
555 1 54 ASP H 1 54 ASP QB . . 3.660 2.496 2.231 3.069 . 0 0 "[ . 1 . 2]" 1
556 1 54 ASP H 1 55 MET H . . 5.500 4.488 4.079 4.592 . 0 0 "[ . 1 . 2]" 1
557 1 54 ASP HA 1 55 MET H . . 3.230 2.378 2.168 2.629 . 0 0 "[ . 1 . 2]" 1
558 1 54 ASP HA 1 56 GLN H . . 4.440 4.159 3.551 4.442 0.002 5 0 "[ . 1 . 2]" 1
559 1 54 ASP QB 1 55 MET H . . 4.210 2.655 1.969 3.633 . 0 0 "[ . 1 . 2]" 1
560 1 54 ASP QB 1 57 THR H . . 4.620 2.851 2.325 4.125 . 0 0 "[ . 1 . 2]" 1
561 1 54 ASP QB 1 58 LEU H . . 5.340 3.099 2.226 4.751 . 0 0 "[ . 1 . 2]" 1
562 1 54 ASP QB 1 58 LEU QD . . 5.280 4.638 3.988 5.283 0.003 7 0 "[ . 1 . 2]" 1
563 1 55 MET H 1 55 MET QB . . 3.350 2.588 2.248 2.944 . 0 0 "[ . 1 . 2]" 1
564 1 55 MET HA 1 58 LEU MD1 . . 4.770 2.552 1.910 3.258 . 0 0 "[ . 1 . 2]" 1
565 1 55 MET HA 1 58 LEU QD . . 3.310 2.186 1.772 2.623 . 0 0 "[ . 1 . 2]" 1
566 1 55 MET HA 1 58 LEU MD2 . . 4.770 3.205 2.001 4.495 . 0 0 "[ . 1 . 2]" 1
567 1 55 MET HA 1 58 LEU HG . . 4.710 2.970 2.000 4.587 . 0 0 "[ . 1 . 2]" 1
568 1 56 GLN H 1 56 GLN QB . . 3.160 2.344 2.140 2.611 . 0 0 "[ . 1 . 2]" 1
569 1 56 GLN H 1 56 GLN QG . . 4.270 3.335 1.953 4.065 . 0 0 "[ . 1 . 2]" 1
570 1 56 GLN H 1 57 THR H . . 3.130 2.650 2.285 2.969 . 0 0 "[ . 1 . 2]" 1
571 1 56 GLN H 1 58 LEU H . . 4.590 3.942 3.356 4.365 . 0 0 "[ . 1 . 2]" 1
572 1 56 GLN H 1 58 LEU QD . . 5.440 4.372 2.989 4.834 . 0 0 "[ . 1 . 2]" 1
573 1 56 GLN HA 1 56 GLN QG . . 3.680 2.677 2.304 3.332 . 0 0 "[ . 1 . 2]" 1
574 1 56 GLN QB 1 57 THR H . . 3.430 2.604 2.196 3.419 . 0 0 "[ . 1 . 2]" 1
575 1 56 GLN QB 1 57 THR HB . . 5.500 4.859 3.654 5.411 . 0 0 "[ . 1 . 2]" 1
576 1 56 GLN QB 1 57 THR MG . . 4.600 3.175 2.573 4.323 . 0 0 "[ . 1 . 2]" 1
577 1 56 GLN QG 1 57 THR H . . 4.960 3.652 2.125 4.079 . 0 0 "[ . 1 . 2]" 1
578 1 56 GLN QG 1 57 THR MG . . 4.560 3.566 2.276 4.541 . 0 0 "[ . 1 . 2]" 1
579 1 57 THR H 1 57 THR MG . . 3.460 2.518 1.896 3.209 . 0 0 "[ . 1 . 2]" 1
580 1 57 THR H 1 58 LEU HA . . 5.500 4.410 4.124 4.702 . 0 0 "[ . 1 . 2]" 1
581 1 57 THR H 1 58 LEU QB . . 5.360 4.429 3.976 4.737 . 0 0 "[ . 1 . 2]" 1
582 1 57 THR H 1 58 LEU QD . . 5.410 4.253 2.738 4.876 . 0 0 "[ . 1 . 2]" 1
583 1 57 THR HA 1 57 THR MG . . 3.320 2.549 2.112 3.207 . 0 0 "[ . 1 . 2]" 1
584 1 57 THR HB 1 58 LEU H . . 4.870 3.680 3.306 4.051 . 0 0 "[ . 1 . 2]" 1
585 1 57 THR HB 1 59 THR H . . 4.840 3.716 2.846 4.836 . 0 0 "[ . 1 . 2]" 1
586 1 57 THR MG 1 58 LEU H . . 4.920 3.362 1.920 4.148 . 0 0 "[ . 1 . 2]" 1
587 1 58 LEU H 1 58 LEU QD . . 4.100 3.384 2.188 3.650 . 0 0 "[ . 1 . 2]" 1
588 1 58 LEU H 1 58 LEU HG . . 4.500 3.540 2.733 4.555 0.055 13 0 "[ . 1 . 2]" 1
589 1 58 LEU H 1 59 THR H . . 3.850 2.823 2.707 3.066 . 0 0 "[ . 1 . 2]" 1
590 1 58 LEU HA 1 58 LEU MD1 . . 4.420 3.280 1.967 3.864 . 0 0 "[ . 1 . 2]" 1
591 1 58 LEU HA 1 58 LEU QD . . 3.150 2.551 1.936 3.091 . 0 0 "[ . 1 . 2]" 1
592 1 58 LEU HA 1 58 LEU MD2 . . 4.420 3.073 2.324 3.773 . 0 0 "[ . 1 . 2]" 1
593 1 58 LEU QB 1 58 LEU MD1 . . 3.270 2.045 1.948 2.338 . 0 0 "[ . 1 . 2]" 1
594 1 58 LEU QB 1 58 LEU QD . . 2.810 1.813 1.733 2.010 . 0 0 "[ . 1 . 2]" 1
595 1 58 LEU QB 1 58 LEU MD2 . . 3.270 2.030 1.922 2.192 . 0 0 "[ . 1 . 2]" 1
596 1 58 LEU MD1 1 101 LYS QE . . 4.820 4.400 3.436 4.858 0.038 3 0 "[ . 1 . 2]" 1
597 1 58 LEU MD2 1 101 LYS QE . . 4.820 4.299 3.499 4.859 0.039 9 0 "[ . 1 . 2]" 1
598 1 59 THR H 1 60 PRO QD . . 5.350 4.345 4.315 4.377 . 0 0 "[ . 1 . 2]" 1
599 1 60 PRO HA 1 61 VAL H . . 3.360 2.193 2.151 2.383 . 0 0 "[ . 1 . 2]" 1
600 1 60 PRO QD 1 61 VAL H . . 4.960 4.876 4.586 4.964 0.004 5 0 "[ . 1 . 2]" 1
601 1 61 VAL H 1 61 VAL MG1 . . 4.020 2.959 1.990 3.873 . 0 0 "[ . 1 . 2]" 1
602 1 61 VAL H 1 61 VAL QG . . 3.330 2.165 1.882 2.464 . 0 0 "[ . 1 . 2]" 1
603 1 61 VAL H 1 61 VAL MG2 . . 4.020 2.646 1.973 4.008 . 0 0 "[ . 1 . 2]" 1
604 1 61 VAL H 1 62 GLY H . . 5.350 4.459 4.321 4.617 . 0 0 "[ . 1 . 2]" 1
605 1 61 VAL HA 1 62 GLY H . . 3.280 2.275 2.199 2.462 . 0 0 "[ . 1 . 2]" 1
606 1 61 VAL HB 1 62 GLY H . . 4.030 3.293 2.254 4.031 0.001 13 0 "[ . 1 . 2]" 1
607 1 61 VAL QG 1 86 PRO QB . . 5.440 3.460 2.502 4.367 . 0 0 "[ . 1 . 2]" 1
608 1 61 VAL QG 1 87 PRO QB . . 4.760 4.223 2.666 4.810 0.050 7 0 "[ . 1 . 2]" 1
609 1 61 VAL QG 1 87 PRO HD2 . . 4.070 2.946 2.085 3.811 . 0 0 "[ . 1 . 2]" 1
610 1 61 VAL QG 1 87 PRO HD3 . . 4.660 3.196 1.963 4.247 . 0 0 "[ . 1 . 2]" 1
611 1 61 VAL QG 1 87 PRO QG . . 3.890 2.818 1.909 3.425 . 0 0 "[ . 1 . 2]" 1
612 1 61 VAL QG 1 91 SER QB . . 4.580 3.388 2.225 4.267 . 0 0 "[ . 1 . 2]" 1
613 1 61 VAL QG 1 92 TYR H . . 4.860 4.624 3.750 4.973 0.113 15 0 "[ . 1 . 2]" 1
614 1 61 VAL MG1 1 62 GLY H . . 4.140 3.330 1.966 3.929 . 0 0 "[ . 1 . 2]" 1
615 1 61 VAL MG2 1 62 GLY H . . 4.140 3.346 2.011 4.065 . 0 0 "[ . 1 . 2]" 1
616 1 62 GLY H 1 87 PRO HD2 . . 5.360 4.156 3.287 5.386 0.026 16 0 "[ . 1 . 2]" 1
617 1 62 GLY H 1 87 PRO HD3 . . 5.450 2.978 2.454 3.628 . 0 0 "[ . 1 . 2]" 1
618 1 62 GLY QA 1 87 PRO QB . . 5.030 4.310 3.769 4.954 . 0 0 "[ . 1 . 2]" 1
619 1 62 GLY QA 1 87 PRO HD2 . . 4.530 3.283 2.744 3.970 . 0 0 "[ . 1 . 2]" 1
620 1 63 ARG H 1 85 ASP H . . 4.380 3.579 2.276 4.047 . 0 0 "[ . 1 . 2]" 1
621 1 63 ARG H 1 85 ASP HB2 . . 5.500 5.257 3.992 5.522 0.022 2 0 "[ . 1 . 2]" 1
622 1 63 ARG H 1 85 ASP HB3 . . 4.200 3.923 2.779 4.372 0.172 12 0 "[ . 1 . 2]" 1
623 1 64 LEU H 1 65 ILE MD . . 5.450 4.659 3.733 5.219 . 0 0 "[ . 1 . 2]" 1
624 1 65 ILE H 1 65 ILE HB . . 3.790 2.596 2.529 2.693 . 0 0 "[ . 1 . 2]" 1
625 1 65 ILE H 1 65 ILE MD . . 4.710 3.087 2.045 3.785 . 0 0 "[ . 1 . 2]" 1
626 1 65 ILE H 1 65 ILE HG12 . . 4.390 3.017 2.048 4.243 . 0 0 "[ . 1 . 2]" 1
627 1 65 ILE H 1 65 ILE HG13 . . 4.390 3.745 3.205 4.161 . 0 0 "[ . 1 . 2]" 1
628 1 65 ILE H 1 65 ILE MG . . 4.450 3.825 3.764 3.872 . 0 0 "[ . 1 . 2]" 1
629 1 65 ILE H 1 66 THR H . . 3.190 2.208 1.979 2.751 . 0 0 "[ . 1 . 2]" 1
630 1 65 ILE H 1 66 THR MG . . 5.310 4.561 3.261 5.317 0.007 18 0 "[ . 1 . 2]" 1
631 1 65 ILE H 1 84 LEU HA . . 3.930 3.605 2.730 3.999 0.069 10 0 "[ . 1 . 2]" 1
632 1 65 ILE H 1 85 ASP H . . 5.040 4.687 3.579 5.016 . 0 0 "[ . 1 . 2]" 1
633 1 65 ILE HA 1 65 ILE MD . . 3.490 2.458 1.992 3.443 . 0 0 "[ . 1 . 2]" 1
634 1 65 ILE HA 1 65 ILE HG12 . . 4.250 3.221 3.028 3.550 . 0 0 "[ . 1 . 2]" 1
635 1 65 ILE HA 1 65 ILE QG . . 3.530 2.764 2.312 3.021 . 0 0 "[ . 1 . 2]" 1
636 1 65 ILE HA 1 65 ILE HG13 . . 4.250 3.324 2.346 3.781 . 0 0 "[ . 1 . 2]" 1
637 1 65 ILE HA 1 65 ILE MG . . 3.330 2.293 2.207 2.335 . 0 0 "[ . 1 . 2]" 1
638 1 65 ILE HB 1 66 THR H . . 3.550 2.560 2.205 2.726 . 0 0 "[ . 1 . 2]" 1
639 1 65 ILE MD 1 84 LEU HA . . 4.890 3.621 1.980 4.583 . 0 0 "[ . 1 . 2]" 1
640 1 65 ILE MD 1 85 ASP HB2 . . 3.500 2.261 1.840 2.754 . 0 0 "[ . 1 . 2]" 1
641 1 65 ILE MD 1 85 ASP HB3 . . 4.150 2.669 1.970 3.346 . 0 0 "[ . 1 . 2]" 1
642 1 65 ILE HG12 1 85 ASP HB2 . . 5.110 3.221 2.613 3.762 . 0 0 "[ . 1 . 2]" 1
643 1 65 ILE HG12 1 85 ASP HB3 . . 5.500 3.914 2.783 4.665 . 0 0 "[ . 1 . 2]" 1
644 1 65 ILE HG13 1 85 ASP HB2 . . 5.110 3.132 2.295 3.983 . 0 0 "[ . 1 . 2]" 1
645 1 65 ILE HG13 1 85 ASP HB3 . . 5.500 4.112 3.274 5.031 . 0 0 "[ . 1 . 2]" 1
646 1 65 ILE MG 1 66 THR HA . . 4.860 3.556 3.298 3.832 . 0 0 "[ . 1 . 2]" 1
647 1 66 THR H 1 66 THR HB . . 3.360 2.851 2.441 3.240 . 0 0 "[ . 1 . 2]" 1
648 1 66 THR H 1 66 THR MG . . 4.060 3.010 2.041 3.674 . 0 0 "[ . 1 . 2]" 1
649 1 66 THR H 1 67 ALA H . . 4.810 4.614 4.539 4.647 . 0 0 "[ . 1 . 2]" 1
650 1 66 THR H 1 83 GLU H . . 3.970 3.748 3.082 3.995 0.025 10 0 "[ . 1 . 2]" 1
651 1 66 THR H 1 83 GLU QB . . 3.770 3.300 2.451 3.729 . 0 0 "[ . 1 . 2]" 1
652 1 66 THR HA 1 66 THR MG . . 3.430 2.520 1.972 3.206 . 0 0 "[ . 1 . 2]" 1
653 1 66 THR HA 1 67 ALA H . . 2.910 2.430 2.285 2.604 . 0 0 "[ . 1 . 2]" 1
654 1 66 THR HA 1 67 ALA MB . . 4.100 3.957 3.865 4.064 . 0 0 "[ . 1 . 2]" 1
655 1 66 THR HA 1 83 GLU H . . 5.090 4.764 4.297 5.133 0.043 11 0 "[ . 1 . 2]" 1
656 1 66 THR HB 1 67 ALA H . . 4.590 3.263 2.418 3.926 . 0 0 "[ . 1 . 2]" 1
657 1 66 THR HB 1 82 LEU QD . . 4.710 3.676 1.968 4.649 . 0 0 "[ . 1 . 2]" 1
658 1 66 THR HB 1 83 GLU H . . 4.870 3.912 2.426 4.778 . 0 0 "[ . 1 . 2]" 1
659 1 66 THR MG 1 67 ALA H . . 3.600 2.611 1.908 3.535 . 0 0 "[ . 1 . 2]" 1
660 1 66 THR MG 1 68 ASN H . . 4.210 3.360 2.409 4.206 . 0 0 "[ . 1 . 2]" 1
661 1 66 THR MG 1 69 PRO QB . . 4.490 2.864 1.963 3.777 . 0 0 "[ . 1 . 2]" 1
662 1 66 THR MG 1 69 PRO QD . . 5.150 2.080 1.900 2.697 . 0 0 "[ . 1 . 2]" 1
663 1 66 THR MG 1 82 LEU QD . . 3.450 2.782 1.952 3.408 . 0 0 "[ . 1 . 2]" 1
664 1 66 THR MG 1 83 GLU H . . 4.220 3.485 2.561 4.194 . 0 0 "[ . 1 . 2]" 1
665 1 67 ALA H 1 67 ALA MB . . 2.930 2.256 2.102 2.373 . 0 0 "[ . 1 . 2]" 1
666 1 67 ALA H 1 68 ASN H . . 4.030 2.443 2.336 2.576 . 0 0 "[ . 1 . 2]" 1
667 1 67 ALA MB 1 68 ASN H . . 3.880 2.293 2.160 2.458 . 0 0 "[ . 1 . 2]" 1
668 1 67 ALA MB 1 68 ASN QD . . 5.100 4.625 3.492 5.099 . 0 0 "[ . 1 . 2]" 1
669 1 68 ASN H 1 69 PRO QD . . 4.450 2.605 2.312 3.045 . 0 0 "[ . 1 . 2]" 1
670 1 68 ASN H 1 69 PRO QG . . 5.350 4.548 4.286 4.965 . 0 0 "[ . 1 . 2]" 1
671 1 68 ASN QD 1 70 VAL MG1 . . 3.980 2.888 2.382 3.641 . 0 0 "[ . 1 . 2]" 1
672 1 68 ASN QD 1 70 VAL MG2 . . 4.120 3.718 3.067 4.134 0.014 5 0 "[ . 1 . 2]" 1
673 1 69 PRO HA 1 70 VAL H . . 2.830 2.156 2.150 2.173 . 0 0 "[ . 1 . 2]" 1
674 1 69 PRO HA 1 70 VAL MG1 . . 3.680 3.673 3.621 3.746 0.066 5 0 "[ . 1 . 2]" 1
675 1 69 PRO HA 1 70 VAL MG2 . . 3.940 3.827 3.655 3.960 0.020 5 0 "[ . 1 . 2]" 1
676 1 69 PRO QB 1 70 VAL H . . 3.590 3.352 3.186 3.552 . 0 0 "[ . 1 . 2]" 1
677 1 69 PRO QB 1 82 LEU QD . . 3.320 2.338 1.824 2.883 . 0 0 "[ . 1 . 2]" 1
678 1 69 PRO HB2 1 70 VAL H . . 4.460 3.583 3.379 3.828 . 0 0 "[ . 1 . 2]" 1
679 1 69 PRO HB3 1 70 VAL H . . 4.460 4.036 3.898 4.208 . 0 0 "[ . 1 . 2]" 1
680 1 69 PRO QD 1 82 LEU QD . . 5.180 3.537 3.005 4.428 . 0 0 "[ . 1 . 2]" 1
681 1 69 PRO QG 1 82 LEU QD . . 5.350 2.152 1.818 3.055 . 0 0 "[ . 1 . 2]" 1
682 1 70 VAL H 1 70 VAL HB . . 4.120 3.905 3.774 3.950 . 0 0 "[ . 1 . 2]" 1
683 1 70 VAL H 1 70 VAL MG1 . . 3.580 2.932 2.608 3.043 . 0 0 "[ . 1 . 2]" 1
684 1 70 VAL H 1 70 VAL MG2 . . 4.400 2.224 2.025 2.368 . 0 0 "[ . 1 . 2]" 1
685 1 70 VAL HA 1 70 VAL MG2 . . 3.440 3.194 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
686 1 70 VAL HA 1 71 ILE H . . 3.140 2.320 2.200 2.400 . 0 0 "[ . 1 . 2]" 1
687 1 70 VAL HB 1 71 ILE H . . 4.350 2.621 2.415 2.984 . 0 0 "[ . 1 . 2]" 1
688 1 70 VAL MG1 1 71 ILE H . . 4.810 3.809 3.740 3.923 . 0 0 "[ . 1 . 2]" 1
689 1 70 VAL MG2 1 71 ILE H . . 3.790 3.489 3.263 3.755 . 0 0 "[ . 1 . 2]" 1
690 1 70 VAL MG2 1 72 THR MG . . 3.550 2.505 2.082 3.516 . 0 0 "[ . 1 . 2]" 1
691 1 71 ILE H 1 71 ILE HB . . 3.380 2.598 2.510 2.641 . 0 0 "[ . 1 . 2]" 1
692 1 71 ILE H 1 71 ILE MD . . 4.970 3.199 2.908 3.507 . 0 0 "[ . 1 . 2]" 1
693 1 71 ILE H 1 71 ILE QG . . 4.040 2.155 1.948 2.363 . 0 0 "[ . 1 . 2]" 1
694 1 71 ILE H 1 71 ILE MG . . 4.050 3.791 3.765 3.835 . 0 0 "[ . 1 . 2]" 1
695 1 71 ILE HA 1 71 ILE MD . . 3.410 2.053 1.969 2.195 . 0 0 "[ . 1 . 2]" 1
696 1 71 ILE HA 1 71 ILE MG . . 3.710 2.271 2.197 2.360 . 0 0 "[ . 1 . 2]" 1
697 1 71 ILE HA 1 72 THR H . . 2.850 2.159 2.139 2.215 . 0 0 "[ . 1 . 2]" 1
698 1 71 ILE HA 1 73 GLU H . . 5.340 3.735 3.312 4.106 . 0 0 "[ . 1 . 2]" 1
699 1 71 ILE HA 1 78 SER QB . . 5.090 4.578 3.696 5.095 0.005 6 0 "[ . 1 . 2]" 1
700 1 71 ILE MD 1 71 ILE MG . . 2.840 2.055 1.945 2.136 . 0 0 "[ . 1 . 2]" 1
701 1 71 ILE MD 1 72 THR H . . 4.190 3.759 3.529 3.869 . 0 0 "[ . 1 . 2]" 1
702 1 71 ILE MD 1 78 SER QB . . 4.150 2.985 2.103 3.668 . 0 0 "[ . 1 . 2]" 1
703 1 71 ILE QG 1 71 ILE MG . . 3.080 2.250 2.197 2.320 . 0 0 "[ . 1 . 2]" 1
704 1 71 ILE MG 1 72 THR H . . 3.700 2.754 1.996 3.235 . 0 0 "[ . 1 . 2]" 1
705 1 71 ILE MG 1 73 GLU H . . 3.580 2.799 2.003 3.183 . 0 0 "[ . 1 . 2]" 1
706 1 71 ILE MG 1 78 SER H . . 5.370 4.428 3.634 5.085 . 0 0 "[ . 1 . 2]" 1
707 1 71 ILE MG 1 78 SER QB . . 4.430 2.332 1.814 2.746 . 0 0 "[ . 1 . 2]" 1
708 1 72 THR H 1 72 THR MG . . 3.480 2.924 1.904 3.338 . 0 0 "[ . 1 . 2]" 1
709 1 72 THR H 1 73 GLU H . . 3.440 2.161 1.901 2.435 . 0 0 "[ . 1 . 2]" 1
710 1 72 THR H 1 73 GLU QG . . 5.210 4.139 3.505 5.098 . 0 0 "[ . 1 . 2]" 1
711 1 72 THR HA 1 72 THR MG . . 3.390 2.263 2.050 3.200 . 0 0 "[ . 1 . 2]" 1
712 1 72 THR HB 1 73 GLU H . . 4.520 3.698 3.328 4.313 . 0 0 "[ . 1 . 2]" 1
713 1 72 THR MG 1 73 GLU H . . 4.730 3.998 2.096 4.410 . 0 0 "[ . 1 . 2]" 1
714 1 73 GLU H 1 73 GLU HB2 . . 3.810 2.378 2.206 2.549 . 0 0 "[ . 1 . 2]" 1
715 1 73 GLU H 1 73 GLU QG . . 3.890 2.634 2.059 3.441 . 0 0 "[ . 1 . 2]" 1
716 1 73 GLU H 1 74 SER H . . 4.970 4.612 4.504 4.646 . 0 0 "[ . 1 . 2]" 1
717 1 73 GLU HA 1 73 GLU QG . . 3.680 2.576 2.230 2.981 . 0 0 "[ . 1 . 2]" 1
718 1 73 GLU HA 1 74 SER H . . 3.050 2.258 2.161 2.468 . 0 0 "[ . 1 . 2]" 1
719 1 73 GLU HA 1 75 THR H . . 4.430 4.094 3.963 4.259 . 0 0 "[ . 1 . 2]" 1
720 1 73 GLU HB2 1 75 THR H . . 4.670 4.592 4.224 4.672 0.002 12 0 "[ . 1 . 2]" 1
721 1 73 GLU HB2 1 78 SER QB . . 4.720 2.894 2.286 3.606 . 0 0 "[ . 1 . 2]" 1
722 1 73 GLU HB2 1 79 LYS H . . 5.500 5.152 4.215 5.446 . 0 0 "[ . 1 . 2]" 1
723 1 73 GLU HB3 1 73 GLU QG . . 2.440 2.291 2.147 2.436 . 0 0 "[ . 1 . 2]" 1
724 1 73 GLU HB3 1 74 SER H . . 4.020 2.868 2.297 3.238 . 0 0 "[ . 1 . 2]" 1
725 1 73 GLU HB3 1 75 THR H . . 3.510 3.083 2.861 3.263 . 0 0 "[ . 1 . 2]" 1
726 1 73 GLU HB3 1 75 THR HB . . 5.500 4.981 4.498 5.364 . 0 0 "[ . 1 . 2]" 1
727 1 73 GLU HB3 1 75 THR MG . . 5.290 3.568 2.122 4.833 . 0 0 "[ . 1 . 2]" 1
728 1 73 GLU QG 1 74 SER H . . 4.890 4.030 3.359 4.498 . 0 0 "[ . 1 . 2]" 1
729 1 73 GLU QG 1 75 THR H . . 5.000 4.733 4.116 5.002 0.002 12 0 "[ . 1 . 2]" 1
730 1 74 SER H 1 75 THR H . . 3.450 2.266 1.895 2.632 . 0 0 "[ . 1 . 2]" 1
731 1 74 SER H 1 75 THR MG . . 4.810 3.750 3.012 4.652 . 0 0 "[ . 1 . 2]" 1
732 1 75 THR H 1 75 THR HB . . 4.200 3.212 2.441 3.619 . 0 0 "[ . 1 . 2]" 1
733 1 75 THR H 1 75 THR MG . . 4.390 2.273 1.954 2.777 . 0 0 "[ . 1 . 2]" 1
734 1 75 THR H 1 76 GLU H . . 4.620 4.605 4.538 4.636 0.016 6 0 "[ . 1 . 2]" 1
735 1 75 THR HA 1 75 THR MG . . 3.420 2.609 2.012 3.204 . 0 0 "[ . 1 . 2]" 1
736 1 75 THR HA 1 76 GLU H . . 2.830 2.329 2.150 2.571 . 0 0 "[ . 1 . 2]" 1
737 1 75 THR HB 1 76 GLU H . . 3.930 3.124 2.031 3.932 0.002 3 0 "[ . 1 . 2]" 1
738 1 76 GLU H 1 76 GLU QB . . 3.120 2.501 2.158 2.755 . 0 0 "[ . 1 . 2]" 1
739 1 76 GLU H 1 76 GLU HG2 . . 4.270 2.781 1.986 4.243 . 0 0 "[ . 1 . 2]" 1
740 1 76 GLU H 1 76 GLU QG . . 3.700 2.433 1.966 3.831 0.131 6 0 "[ . 1 . 2]" 1
741 1 76 GLU H 1 76 GLU HG3 . . 4.270 3.249 2.107 4.390 0.120 6 0 "[ . 1 . 2]" 1
742 1 76 GLU H 1 77 ASN H . . 4.850 4.564 4.459 4.639 . 0 0 "[ . 1 . 2]" 1
743 1 76 GLU HA 1 77 ASN H . . 3.160 2.507 2.180 2.624 . 0 0 "[ . 1 . 2]" 1
744 1 76 GLU HA 1 77 ASN HA . . 5.090 4.575 4.387 4.648 . 0 0 "[ . 1 . 2]" 1
745 1 76 GLU QB 1 77 ASN H . . 3.770 2.274 2.018 3.634 . 0 0 "[ . 1 . 2]" 1
746 1 76 GLU QG 1 77 ASN H . . 4.510 3.340 2.340 4.075 . 0 0 "[ . 1 . 2]" 1
747 1 76 GLU QG 1 77 ASN QD . . 4.040 3.173 1.878 4.032 . 0 0 "[ . 1 . 2]" 1
748 1 77 ASN H 1 78 SER H . . 3.840 2.788 2.655 3.047 . 0 0 "[ . 1 . 2]" 1
749 1 77 ASN HA 1 78 SER H . . 3.440 2.755 2.426 2.850 . 0 0 "[ . 1 . 2]" 1
750 1 77 ASN HA 1 78 SER QB . . 5.500 4.849 4.425 5.221 . 0 0 "[ . 1 . 2]" 1
751 1 78 SER H 1 78 SER QB . . 3.380 2.415 2.163 2.994 . 0 0 "[ . 1 . 2]" 1
752 1 78 SER HA 1 79 LYS H . . 3.000 2.249 2.137 2.445 . 0 0 "[ . 1 . 2]" 1
753 1 78 SER QB 1 79 LYS H . . 3.620 2.970 2.306 3.611 . 0 0 "[ . 1 . 2]" 1
754 1 79 LYS H 1 79 LYS QB . . 3.180 2.782 2.324 3.171 . 0 0 "[ . 1 . 2]" 1
755 1 79 LYS H 1 79 LYS QD . . 3.850 3.113 2.129 3.851 0.001 12 0 "[ . 1 . 2]" 1
756 1 79 LYS H 1 79 LYS QE . . 5.200 4.472 3.862 4.965 . 0 0 "[ . 1 . 2]" 1
757 1 79 LYS H 1 80 MET HA . . 5.250 4.965 4.750 5.112 . 0 0 "[ . 1 . 2]" 1
758 1 79 LYS HA 1 79 LYS QD . . 4.180 3.563 2.280 4.180 . 0 0 "[ . 1 . 2]" 1
759 1 79 LYS HA 1 79 LYS QG . . 4.000 2.833 2.208 3.437 . 0 0 "[ . 1 . 2]" 1
760 1 79 LYS HA 1 80 MET H . . 2.870 2.378 2.198 2.589 . 0 0 "[ . 1 . 2]" 1
761 1 79 LYS QB 1 80 MET H . . 3.410 2.490 2.065 2.974 . 0 0 "[ . 1 . 2]" 1
762 1 79 LYS QD 1 80 MET H . . 5.060 4.710 3.783 5.060 . 0 0 "[ . 1 . 2]" 1
763 1 80 MET H 1 80 MET QB . . 3.560 2.772 2.603 3.248 . 0 0 "[ . 1 . 2]" 1
764 1 80 MET HA 1 81 MET H . . 2.700 2.191 2.142 2.299 . 0 0 "[ . 1 . 2]" 1
765 1 80 MET QB 1 81 MET H . . 3.860 3.425 2.708 3.812 . 0 0 "[ . 1 . 2]" 1
766 1 81 MET H 1 81 MET QB . . 2.910 2.279 2.158 2.371 . 0 0 "[ . 1 . 2]" 1
767 1 81 MET H 1 81 MET HG2 . . 4.840 4.474 4.273 4.644 . 0 0 "[ . 1 . 2]" 1
768 1 81 MET H 1 81 MET QG . . 4.200 3.888 3.048 4.054 . 0 0 "[ . 1 . 2]" 1
769 1 81 MET H 1 81 MET HG3 . . 4.840 4.326 3.120 4.639 . 0 0 "[ . 1 . 2]" 1
770 1 81 MET H 1 82 LEU H . . 5.060 4.537 4.374 4.617 . 0 0 "[ . 1 . 2]" 1
771 1 81 MET H 1 82 LEU QD . . 5.140 3.969 3.070 4.806 . 0 0 "[ . 1 . 2]" 1
772 1 81 MET HA 1 81 MET HG2 . . 4.090 2.897 2.359 3.676 . 0 0 "[ . 1 . 2]" 1
773 1 81 MET HA 1 81 MET HG3 . . 4.090 2.606 2.219 3.509 . 0 0 "[ . 1 . 2]" 1
774 1 81 MET HA 1 82 LEU H . . 2.850 2.225 2.143 2.406 . 0 0 "[ . 1 . 2]" 1
775 1 81 MET QB 1 82 LEU H . . 3.810 3.471 2.582 3.803 . 0 0 "[ . 1 . 2]" 1
776 1 81 MET QB 1 82 LEU HA . . 5.230 4.355 3.872 4.698 . 0 0 "[ . 1 . 2]" 1
777 1 81 MET QG 1 82 LEU H . . 3.810 2.589 1.939 3.405 . 0 0 "[ . 1 . 2]" 1
778 1 81 MET HG2 1 82 LEU H . . 4.430 2.883 1.950 3.882 . 0 0 "[ . 1 . 2]" 1
779 1 81 MET HG3 1 82 LEU H . . 4.430 3.380 2.186 4.418 . 0 0 "[ . 1 . 2]" 1
780 1 82 LEU H 1 82 LEU QB . . 3.320 2.644 2.306 3.278 . 0 0 "[ . 1 . 2]" 1
781 1 82 LEU H 1 82 LEU QD . . 4.300 3.083 2.535 3.768 . 0 0 "[ . 1 . 2]" 1
782 1 82 LEU H 1 82 LEU HG . . 4.250 3.423 2.290 4.282 0.032 11 0 "[ . 1 . 2]" 1
783 1 82 LEU H 1 83 GLU H . . 5.390 4.446 4.349 4.519 . 0 0 "[ . 1 . 2]" 1
784 1 82 LEU H 1 84 LEU QD . . 4.910 4.526 3.994 4.908 . 0 0 "[ . 1 . 2]" 1
785 1 82 LEU HA 1 82 LEU QD . . 3.460 2.457 1.979 3.136 . 0 0 "[ . 1 . 2]" 1
786 1 82 LEU HA 1 82 LEU HG . . 3.910 2.984 2.285 3.704 . 0 0 "[ . 1 . 2]" 1
787 1 82 LEU HA 1 83 GLU H . . 3.120 2.384 2.165 2.458 . 0 0 "[ . 1 . 2]" 1
788 1 82 LEU HA 1 83 GLU QG . . 4.520 3.870 3.379 4.366 . 0 0 "[ . 1 . 2]" 1
789 1 82 LEU QB 1 83 GLU H . . 3.710 2.489 2.305 3.132 . 0 0 "[ . 1 . 2]" 1
790 1 82 LEU QB 1 84 LEU QD . . 3.260 2.532 2.104 3.038 . 0 0 "[ . 1 . 2]" 1
791 1 82 LEU HB2 1 83 GLU H . . 4.280 3.610 2.958 4.279 . 0 0 "[ . 1 . 2]" 1
792 1 82 LEU HB3 1 83 GLU H . . 4.280 2.572 2.327 3.547 . 0 0 "[ . 1 . 2]" 1
793 1 82 LEU QD 1 83 GLU H . . 5.320 3.500 2.673 4.213 . 0 0 "[ . 1 . 2]" 1
794 1 82 LEU QD 1 84 LEU QD . . 3.450 3.035 2.751 3.454 0.004 18 0 "[ . 1 . 2]" 1
795 1 82 LEU HG 1 83 GLU H . . 5.160 4.481 3.497 5.164 0.004 12 0 "[ . 1 . 2]" 1
796 1 83 GLU H 1 83 GLU QB . . 3.700 2.450 2.187 2.616 . 0 0 "[ . 1 . 2]" 1
797 1 83 GLU H 1 84 LEU H . . 5.380 4.398 4.264 4.536 . 0 0 "[ . 1 . 2]" 1
798 1 83 GLU HA 1 84 LEU H . . 3.020 2.170 2.142 2.300 . 0 0 "[ . 1 . 2]" 1
799 1 83 GLU HA 1 84 LEU QD . . 4.240 3.385 2.676 4.136 . 0 0 "[ . 1 . 2]" 1
800 1 83 GLU QG 1 84 LEU H . . 4.810 4.079 3.699 4.651 . 0 0 "[ . 1 . 2]" 1
801 1 84 LEU H 1 84 LEU QD . . 3.840 2.931 2.355 3.473 . 0 0 "[ . 1 . 2]" 1
802 1 84 LEU H 1 84 LEU HG . . 5.500 3.626 2.621 4.466 . 0 0 "[ . 1 . 2]" 1
803 1 84 LEU HA 1 84 LEU MD1 . . 4.260 3.328 1.936 3.979 . 0 0 "[ . 1 . 2]" 1
804 1 84 LEU HA 1 84 LEU QD . . 3.710 2.611 1.913 3.207 . 0 0 "[ . 1 . 2]" 1
805 1 84 LEU HA 1 84 LEU MD2 . . 4.260 3.117 2.101 3.770 . 0 0 "[ . 1 . 2]" 1
806 1 84 LEU HA 1 84 LEU HG . . 4.070 2.808 2.301 3.700 . 0 0 "[ . 1 . 2]" 1
807 1 84 LEU HA 1 85 ASP H . . 3.370 2.239 2.158 2.307 . 0 0 "[ . 1 . 2]" 1
808 1 84 LEU QB 1 85 ASP H . . 4.230 2.840 2.617 3.117 . 0 0 "[ . 1 . 2]" 1
809 1 84 LEU HB2 1 85 ASP H . . 5.040 3.930 3.500 4.237 . 0 0 "[ . 1 . 2]" 1
810 1 84 LEU HB3 1 85 ASP H . . 5.040 2.919 2.661 3.215 . 0 0 "[ . 1 . 2]" 1
811 1 84 LEU QD 1 85 ASP H . . 4.840 3.851 3.178 4.235 . 0 0 "[ . 1 . 2]" 1
812 1 85 ASP H 1 85 ASP HB2 . . 4.000 3.043 2.442 3.412 . 0 0 "[ . 1 . 2]" 1
813 1 85 ASP H 1 85 ASP HB3 . . 3.760 2.949 2.651 3.569 . 0 0 "[ . 1 . 2]" 1
814 1 85 ASP HA 1 86 PRO HD2 . . 3.750 2.095 2.061 2.130 . 0 0 "[ . 1 . 2]" 1
815 1 85 ASP HA 1 86 PRO QD . . 3.190 2.053 2.019 2.086 . 0 0 "[ . 1 . 2]" 1
816 1 85 ASP HA 1 86 PRO HD3 . . 3.750 2.936 2.887 2.984 . 0 0 "[ . 1 . 2]" 1
817 1 86 PRO QB 1 87 PRO HD3 . . 4.260 3.235 3.232 3.240 . 0 0 "[ . 1 . 2]" 1
818 1 86 PRO QB 1 106 TRP HD1 . . 4.790 4.063 3.113 4.806 0.016 18 0 "[ . 1 . 2]" 1
819 1 86 PRO QG 1 87 PRO HD2 . . 4.090 3.941 3.938 3.948 . 0 0 "[ . 1 . 2]" 1
820 1 86 PRO QG 1 106 TRP HD1 . . 3.470 3.404 3.183 3.500 0.030 19 0 "[ . 1 . 2]" 1
821 1 86 PRO HG2 1 87 PRO HD2 . . 4.780 4.302 4.298 4.309 . 0 0 "[ . 1 . 2]" 1
822 1 86 PRO HG3 1 87 PRO HD2 . . 4.780 4.576 4.573 4.582 . 0 0 "[ . 1 . 2]" 1
823 1 87 PRO HA 1 88 PHE H . . 2.960 2.598 2.440 2.639 . 0 0 "[ . 1 . 2]" 1
824 1 87 PRO QB 1 88 PHE H . . 3.260 2.128 2.047 2.451 . 0 0 "[ . 1 . 2]" 1
825 1 87 PRO QB 1 88 PHE HA . . 4.900 4.300 4.233 4.442 . 0 0 "[ . 1 . 2]" 1
826 1 87 PRO QB 1 88 PHE QD . . 4.030 3.601 2.693 3.949 . 0 0 "[ . 1 . 2]" 1
827 1 87 PRO QG 1 88 PHE H . . 4.560 3.823 3.753 4.097 . 0 0 "[ . 1 . 2]" 1
828 1 88 PHE H 1 88 PHE HB2 . . 3.790 2.997 2.290 3.675 . 0 0 "[ . 1 . 2]" 1
829 1 88 PHE H 1 88 PHE QB . . 3.000 2.490 2.264 2.737 . 0 0 "[ . 1 . 2]" 1
830 1 88 PHE H 1 88 PHE HB3 . . 3.790 3.164 2.468 3.666 . 0 0 "[ . 1 . 2]" 1
831 1 88 PHE H 1 88 PHE QD . . 3.860 2.189 1.981 2.425 . 0 0 "[ . 1 . 2]" 1
832 1 88 PHE HA 1 88 PHE QD . . 4.230 3.328 2.866 3.728 . 0 0 "[ . 1 . 2]" 1
833 1 88 PHE HA 1 89 GLY H . . 3.090 2.210 2.144 2.581 . 0 0 "[ . 1 . 2]" 1
834 1 88 PHE HA 1 108 ARG HB2 . . 5.130 4.399 3.322 5.138 0.008 18 0 "[ . 1 . 2]" 1
835 1 88 PHE HA 1 108 ARG HB3 . . 5.130 4.012 3.167 5.183 0.053 15 0 "[ . 1 . 2]" 1
836 1 88 PHE HA 1 108 ARG QD . . 4.930 3.789 2.319 4.948 0.018 13 0 "[ . 1 . 2]" 1
837 1 88 PHE QB 1 89 GLY H . . 3.710 3.253 2.112 3.710 . 0 0 "[ . 1 . 2]" 1
838 1 88 PHE HB2 1 89 GLY H . . 4.570 3.765 2.126 4.473 . 0 0 "[ . 1 . 2]" 1
839 1 88 PHE HB3 1 89 GLY H . . 4.570 3.891 2.991 4.244 . 0 0 "[ . 1 . 2]" 1
840 1 88 PHE QD 1 89 GLY H . . 4.900 4.216 2.693 4.833 . 0 0 "[ . 1 . 2]" 1
841 1 89 GLY H 1 108 ARG H . . 4.700 4.174 3.727 4.716 0.016 16 0 "[ . 1 . 2]" 1
842 1 89 GLY H 1 108 ARG QB . . 3.740 2.548 1.935 3.293 . 0 0 "[ . 1 . 2]" 1
843 1 89 GLY QA 1 90 ASP H . . 2.920 2.183 2.108 2.280 . 0 0 "[ . 1 . 2]" 1
844 1 89 GLY HA2 1 90 ASP H . . 3.480 2.841 2.258 3.257 . 0 0 "[ . 1 . 2]" 1
845 1 89 GLY HA3 1 90 ASP H . . 3.480 2.459 2.135 3.488 0.008 5 0 "[ . 1 . 2]" 1
846 1 90 ASP H 1 90 ASP QB . . 3.270 2.832 2.197 3.212 . 0 0 "[ . 1 . 2]" 1
847 1 90 ASP H 1 108 ARG H . . 5.500 4.282 1.874 5.362 . 0 0 "[ . 1 . 2]" 1
848 1 90 ASP HA 1 91 SER H . . 3.080 2.308 2.148 2.527 . 0 0 "[ . 1 . 2]" 1
849 1 90 ASP HA 1 91 SER QB . . 4.290 4.070 3.837 4.241 . 0 0 "[ . 1 . 2]" 1
850 1 90 ASP HA 1 107 HIS HA . . 4.070 2.658 1.980 4.104 0.034 15 0 "[ . 1 . 2]" 1
851 1 90 ASP HA 1 108 ARG H . . 4.540 3.536 2.241 4.577 0.037 15 0 "[ . 1 . 2]" 1
852 1 90 ASP QB 1 91 SER H . . 3.990 2.787 2.147 3.706 . 0 0 "[ . 1 . 2]" 1
853 1 90 ASP QB 1 91 SER HA . . 5.500 4.178 3.865 4.707 . 0 0 "[ . 1 . 2]" 1
854 1 90 ASP QB 1 107 HIS H . . 4.720 4.476 3.478 4.771 0.051 20 0 "[ . 1 . 2]" 1
855 1 90 ASP QB 1 107 HIS HA . . 4.660 2.365 1.926 2.900 . 0 0 "[ . 1 . 2]" 1
856 1 90 ASP QB 1 108 ARG H . . 4.450 3.512 2.671 4.188 . 0 0 "[ . 1 . 2]" 1
857 1 91 SER HA 1 92 TYR H . . 3.430 2.662 2.402 3.555 0.125 18 0 "[ . 1 . 2]" 1
858 1 91 SER HA 1 92 TYR QB . . 5.500 4.339 4.158 4.931 . 0 0 "[ . 1 . 2]" 1
859 1 91 SER QB 1 92 TYR H . . 3.360 2.247 1.937 2.890 . 0 0 "[ . 1 . 2]" 1
860 1 91 SER HB2 1 92 TYR H . . 4.110 3.320 2.075 3.871 . 0 0 "[ . 1 . 2]" 1
861 1 91 SER HB3 1 92 TYR H . . 4.110 2.526 1.947 3.882 . 0 0 "[ . 1 . 2]" 1
862 1 92 TYR H 1 92 TYR QB . . 3.660 2.495 2.308 2.786 . 0 0 "[ . 1 . 2]" 1
863 1 92 TYR H 1 92 TYR QD . . 4.040 3.306 2.506 3.768 . 0 0 "[ . 1 . 2]" 1
864 1 92 TYR HA 1 92 TYR QD . . 4.580 2.766 2.280 3.085 . 0 0 "[ . 1 . 2]" 1
865 1 92 TYR HA 1 93 ILE H . . 3.280 2.185 2.138 2.622 . 0 0 "[ . 1 . 2]" 1
866 1 92 TYR HA 1 104 HIS H . . 5.500 3.909 3.458 4.911 . 0 0 "[ . 1 . 2]" 1
867 1 92 TYR HA 1 105 HIS HA . . 3.890 3.479 2.723 3.896 0.006 13 0 "[ . 1 . 2]" 1
868 1 92 TYR HA 1 106 TRP H . . 4.210 3.392 2.544 3.939 . 0 0 "[ . 1 . 2]" 1
869 1 92 TYR QB 1 93 ILE H . . 4.580 3.449 1.961 3.763 . 0 0 "[ . 1 . 2]" 1
870 1 92 TYR QB 1 94 VAL QG . . 4.590 3.046 2.591 4.372 . 0 0 "[ . 1 . 2]" 1
871 1 92 TYR QB 1 103 THR HB . . 4.490 3.645 2.763 4.483 . 0 0 "[ . 1 . 2]" 1
872 1 92 TYR QB 1 104 HIS H . . 5.330 3.799 3.185 4.565 . 0 0 "[ . 1 . 2]" 1
873 1 92 TYR QD 1 103 THR HB . . 4.070 3.082 2.235 3.962 . 0 0 "[ . 1 . 2]" 1
874 1 92 TYR QD 1 103 THR MG . . 4.930 3.719 2.766 4.719 . 0 0 "[ . 1 . 2]" 1
875 1 92 TYR QD 1 105 HIS HA . . 3.990 3.171 2.388 3.811 . 0 0 "[ . 1 . 2]" 1
876 1 92 TYR QE 1 104 HIS H . . 5.490 5.240 4.755 5.523 0.033 2 0 "[ . 1 . 2]" 1
877 1 92 TYR QE 1 105 HIS QB . . 4.840 3.167 2.202 4.559 . 0 0 "[ . 1 . 2]" 1
878 1 93 ILE H 1 93 ILE HB . . 3.940 2.545 2.491 2.826 . 0 0 "[ . 1 . 2]" 1
879 1 93 ILE H 1 93 ILE MD . . 4.650 3.327 2.515 4.216 . 0 0 "[ . 1 . 2]" 1
880 1 93 ILE H 1 93 ILE QG . . 4.720 2.243 2.023 2.998 . 0 0 "[ . 1 . 2]" 1
881 1 93 ILE H 1 93 ILE MG . . 4.760 3.779 3.764 3.914 . 0 0 "[ . 1 . 2]" 1
882 1 93 ILE H 1 104 HIS H . . 3.830 3.213 2.836 3.636 . 0 0 "[ . 1 . 2]" 1
883 1 93 ILE HA 1 93 ILE MD . . 4.560 3.867 3.792 3.883 . 0 0 "[ . 1 . 2]" 1
884 1 93 ILE HA 1 93 ILE QG . . 3.650 2.447 2.388 2.487 . 0 0 "[ . 1 . 2]" 1
885 1 93 ILE HA 1 93 ILE MG . . 3.710 2.327 2.288 2.379 . 0 0 "[ . 1 . 2]" 1
886 1 93 ILE HA 1 94 VAL H . . 3.040 2.156 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
887 1 93 ILE HA 1 94 VAL HB . . 4.970 4.668 4.502 4.766 . 0 0 "[ . 1 . 2]" 1
888 1 93 ILE HB 1 94 VAL H . . 5.500 4.238 3.984 4.422 . 0 0 "[ . 1 . 2]" 1
889 1 93 ILE HB 1 104 HIS H . . 5.500 3.603 3.174 4.342 . 0 0 "[ . 1 . 2]" 1
890 1 93 ILE HB 1 104 HIS HD2 . . 4.460 4.166 3.495 4.464 0.004 12 0 "[ . 1 . 2]" 1
891 1 93 ILE MD 1 93 ILE MG . . 2.870 2.245 1.928 2.690 . 0 0 "[ . 1 . 2]" 1
892 1 93 ILE MD 1 104 HIS H . . 5.210 4.841 4.287 5.176 . 0 0 "[ . 1 . 2]" 1
893 1 93 ILE MD 1 104 HIS HD2 . . 4.000 2.853 2.153 3.829 . 0 0 "[ . 1 . 2]" 1
894 1 93 ILE MD 1 106 TRP H . . 5.450 4.765 4.074 5.432 . 0 0 "[ . 1 . 2]" 1
895 1 93 ILE MD 1 106 TRP QB . . 4.190 2.304 1.887 3.069 . 0 0 "[ . 1 . 2]" 1
896 1 93 ILE MD 1 106 TRP HE3 . . 4.350 4.257 3.870 4.372 0.022 1 0 "[ . 1 . 2]" 1
897 1 93 ILE MG 1 94 VAL H . . 3.760 2.663 2.196 3.201 . 0 0 "[ . 1 . 2]" 1
898 1 93 ILE MG 1 95 ILE MD . . 3.210 2.771 2.497 3.107 . 0 0 "[ . 1 . 2]" 1
899 1 93 ILE MG 1 95 ILE QG . . 3.400 2.979 2.505 3.376 . 0 0 "[ . 1 . 2]" 1
900 1 94 VAL H 1 94 VAL HB . . 3.470 2.759 2.548 3.050 . 0 0 "[ . 1 . 2]" 1
901 1 94 VAL H 1 94 VAL QG . . 3.940 2.675 2.181 2.898 . 0 0 "[ . 1 . 2]" 1
902 1 94 VAL H 1 95 ILE HA . . 5.500 4.883 4.680 5.092 . 0 0 "[ . 1 . 2]" 1
903 1 94 VAL H 1 95 ILE MD . . 4.650 4.172 3.836 4.517 . 0 0 "[ . 1 . 2]" 1
904 1 94 VAL HA 1 95 ILE H . . 2.920 2.212 2.147 2.286 . 0 0 "[ . 1 . 2]" 1
905 1 94 VAL HA 1 103 THR HA . . 3.920 3.028 2.652 3.443 . 0 0 "[ . 1 . 2]" 1
906 1 94 VAL HA 1 103 THR MG . . 4.600 3.176 2.411 3.941 . 0 0 "[ . 1 . 2]" 1
907 1 94 VAL QG 1 95 ILE H . . 3.590 2.245 1.917 2.968 . 0 0 "[ . 1 . 2]" 1
908 1 94 VAL QG 1 96 GLY H . . 5.440 3.975 3.583 4.324 . 0 0 "[ . 1 . 2]" 1
909 1 94 VAL QG 1 98 GLY H . . 5.440 5.290 4.957 5.439 . 0 0 "[ . 1 . 2]" 1
910 1 94 VAL QG 1 101 LYS QD . . 3.900 3.324 2.260 3.900 0.000 5 0 "[ . 1 . 2]" 1
911 1 94 VAL QG 1 101 LYS QE . . 3.870 2.553 1.902 3.874 0.004 12 0 "[ . 1 . 2]" 1
912 1 94 VAL QG 1 103 THR H . . 4.890 4.697 4.411 4.895 0.005 9 0 "[ . 1 . 2]" 1
913 1 94 VAL QG 1 103 THR HA . . 4.370 3.000 2.647 3.656 . 0 0 "[ . 1 . 2]" 1
914 1 94 VAL QG 1 103 THR HB . . 4.960 3.802 3.005 4.760 . 0 0 "[ . 1 . 2]" 1
915 1 94 VAL QG 1 103 THR MG . . 2.800 2.027 1.743 2.361 . 0 0 "[ . 1 . 2]" 1
916 1 95 ILE H 1 95 ILE HB . . 3.730 2.641 2.514 2.746 . 0 0 "[ . 1 . 2]" 1
917 1 95 ILE H 1 95 ILE QG . . 4.080 2.744 2.439 2.960 . 0 0 "[ . 1 . 2]" 1
918 1 95 ILE H 1 95 ILE MG . . 4.510 3.849 3.793 3.891 . 0 0 "[ . 1 . 2]" 1
919 1 95 ILE H 1 102 ILE QG . . 4.210 2.476 2.263 2.616 . 0 0 "[ . 1 . 2]" 1
920 1 95 ILE H 1 102 ILE MG . . 4.790 4.748 4.612 4.806 0.016 3 0 "[ . 1 . 2]" 1
921 1 95 ILE H 1 103 THR HA . . 4.880 4.563 4.109 4.901 0.021 19 0 "[ . 1 . 2]" 1
922 1 95 ILE HA 1 95 ILE MD . . 3.650 2.000 1.966 2.066 . 0 0 "[ . 1 . 2]" 1
923 1 95 ILE HA 1 95 ILE MG . . 3.490 2.340 2.270 2.400 . 0 0 "[ . 1 . 2]" 1
924 1 95 ILE HA 1 96 GLY H . . 3.170 2.151 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
925 1 95 ILE HB 1 102 ILE MD . . 4.290 2.139 1.940 2.391 . 0 0 "[ . 1 . 2]" 1
926 1 95 ILE HB 1 102 ILE QG . . 4.130 2.424 2.095 2.793 . 0 0 "[ . 1 . 2]" 1
927 1 95 ILE HB 1 102 ILE MG . . 4.270 4.070 3.889 4.289 0.019 3 0 "[ . 1 . 2]" 1
928 1 95 ILE MD 1 95 ILE MG . . 3.050 2.003 1.917 2.105 . 0 0 "[ . 1 . 2]" 1
929 1 95 ILE MD 1 96 GLY H . . 4.800 3.613 3.399 3.759 . 0 0 "[ . 1 . 2]" 1
930 1 95 ILE QG 1 102 ILE MD . . 3.780 2.233 1.929 2.791 . 0 0 "[ . 1 . 2]" 1
931 1 95 ILE MG 1 96 GLY H . . 3.730 2.660 2.204 2.932 . 0 0 "[ . 1 . 2]" 1
932 1 95 ILE MG 1 96 GLY QA . . 4.780 3.147 2.985 3.272 . 0 0 "[ . 1 . 2]" 1
933 1 95 ILE MG 1 97 VAL H . . 5.500 5.420 5.188 5.518 0.018 1 0 "[ . 1 . 2]" 1
934 1 95 ILE MG 1 102 ILE MD . . 3.700 3.012 2.707 3.250 . 0 0 "[ . 1 . 2]" 1
935 1 95 ILE MG 1 102 ILE MG . . 4.690 4.663 4.510 4.704 0.014 4 0 "[ . 1 . 2]" 1
936 1 96 GLY H 1 97 VAL QG . . 4.440 4.333 4.068 4.443 0.003 19 0 "[ . 1 . 2]" 1
937 1 96 GLY QA 1 97 VAL QG . . 4.670 3.018 2.884 3.155 . 0 0 "[ . 1 . 2]" 1
938 1 96 GLY HA2 1 97 VAL H . . 3.310 2.601 2.274 2.802 . 0 0 "[ . 1 . 2]" 1
939 1 96 GLY HA3 1 97 VAL H . . 3.310 2.539 2.348 2.907 . 0 0 "[ . 1 . 2]" 1
940 1 97 VAL H 1 97 VAL HB . . 3.970 3.740 2.832 3.903 . 0 0 "[ . 1 . 2]" 1
941 1 97 VAL H 1 97 VAL QG . . 3.130 2.115 1.928 2.549 . 0 0 "[ . 1 . 2]" 1
942 1 97 VAL HA 1 98 GLY H . . 3.070 2.309 2.175 2.445 . 0 0 "[ . 1 . 2]" 1
943 1 97 VAL HA 1 101 LYS QD . . 4.460 2.525 1.919 3.708 . 0 0 "[ . 1 . 2]" 1
944 1 97 VAL HB 1 98 GLY H . . 3.410 2.751 2.315 3.441 0.031 13 0 "[ . 1 . 2]" 1
945 1 97 VAL HB 1 101 LYS QG . . 4.680 4.059 3.568 4.680 . 0 0 "[ . 1 . 2]" 1
946 1 97 VAL QG 1 98 GLY H . . 5.190 3.147 1.931 3.490 . 0 0 "[ . 1 . 2]" 1
947 1 97 VAL QG 1 98 GLY HA2 . . 5.220 3.652 3.197 3.878 . 0 0 "[ . 1 . 2]" 1
948 1 97 VAL QG 1 98 GLY HA3 . . 5.070 4.110 3.854 4.259 . 0 0 "[ . 1 . 2]" 1
949 1 98 GLY H 1 101 LYS QD . . 4.490 2.266 1.917 3.321 . 0 0 "[ . 1 . 2]" 1
950 1 98 GLY H 1 101 LYS QE . . 4.940 3.302 2.039 4.182 . 0 0 "[ . 1 . 2]" 1
951 1 98 GLY H 1 101 LYS QG . . 3.780 2.068 1.913 2.492 . 0 0 "[ . 1 . 2]" 1
952 1 98 GLY HA2 1 101 LYS QG . . 5.500 3.952 3.802 4.173 . 0 0 "[ . 1 . 2]" 1
953 1 98 GLY HA3 1 101 LYS HA . . 5.400 4.865 4.420 5.091 . 0 0 "[ . 1 . 2]" 1
954 1 98 GLY HA3 1 101 LYS QG . . 5.440 3.390 3.073 3.788 . 0 0 "[ . 1 . 2]" 1
955 1 99 GLU H 1 99 GLU QB . . 3.650 2.431 2.191 2.630 . 0 0 "[ . 1 . 2]" 1
956 1 99 GLU H 1 100 LYS H . . 4.350 2.354 2.313 2.383 . 0 0 "[ . 1 . 2]" 1
957 1 99 GLU H 1 101 LYS H . . 4.840 4.224 4.142 4.314 . 0 0 "[ . 1 . 2]" 1
958 1 99 GLU HA 1 99 GLU QG . . 3.670 2.895 2.303 3.438 . 0 0 "[ . 1 . 2]" 1
959 1 99 GLU HA 1 101 LYS H . . 4.740 3.680 3.614 3.920 . 0 0 "[ . 1 . 2]" 1
960 1 99 GLU QG 1 100 LYS QD . . 5.340 3.961 2.084 5.338 . 0 0 "[ . 1 . 2]" 1
961 1 99 GLU QG 1 100 LYS QG . . 5.470 3.762 1.939 5.251 . 0 0 "[ . 1 . 2]" 1
962 1 99 GLU QG 1 101 LYS H . . 5.500 4.808 4.413 5.496 . 0 0 "[ . 1 . 2]" 1
963 1 100 LYS H 1 100 LYS HB2 . . 3.740 2.449 2.308 2.645 . 0 0 "[ . 1 . 2]" 1
964 1 100 LYS H 1 100 LYS QB . . 3.140 2.389 2.266 2.590 . 0 0 "[ . 1 . 2]" 1
965 1 100 LYS H 1 100 LYS HB3 . . 3.740 3.473 2.713 3.716 . 0 0 "[ . 1 . 2]" 1
966 1 100 LYS H 1 100 LYS QG . . 4.330 3.137 2.239 4.124 . 0 0 "[ . 1 . 2]" 1
967 1 100 LYS H 1 101 LYS H . . 3.210 2.940 2.823 2.982 . 0 0 "[ . 1 . 2]" 1
968 1 100 LYS H 1 101 LYS QG . . 5.100 4.303 4.035 4.654 . 0 0 "[ . 1 . 2]" 1
969 1 100 LYS HA 1 100 LYS QD . . 3.890 3.036 2.103 3.830 . 0 0 "[ . 1 . 2]" 1
970 1 100 LYS HA 1 100 LYS QG . . 3.980 2.460 2.057 3.026 . 0 0 "[ . 1 . 2]" 1
971 1 101 LYS H 1 101 LYS QB . . 3.440 2.245 2.103 2.398 . 0 0 "[ . 1 . 2]" 1
972 1 101 LYS H 1 101 LYS QD . . 4.210 3.890 3.607 4.284 0.074 20 0 "[ . 1 . 2]" 1
973 1 101 LYS H 1 101 LYS QE . . 5.490 4.842 3.003 5.500 0.010 15 0 "[ . 1 . 2]" 1
974 1 101 LYS H 1 101 LYS QG . . 3.980 2.658 2.320 3.040 . 0 0 "[ . 1 . 2]" 1
975 1 101 LYS H 1 102 ILE H . . 5.280 4.635 4.564 4.646 . 0 0 "[ . 1 . 2]" 1
976 1 101 LYS HA 1 102 ILE H . . 3.110 2.325 2.161 2.457 . 0 0 "[ . 1 . 2]" 1
977 1 101 LYS QB 1 102 ILE H . . 3.900 2.679 2.335 3.227 . 0 0 "[ . 1 . 2]" 1
978 1 101 LYS QB 1 102 ILE MG . . 4.580 4.388 4.210 4.572 . 0 0 "[ . 1 . 2]" 1
979 1 101 LYS HB2 1 101 LYS QD . . 3.540 2.565 2.187 3.401 . 0 0 "[ . 1 . 2]" 1
980 1 101 LYS HB3 1 101 LYS QD . . 3.540 2.604 2.161 3.030 . 0 0 "[ . 1 . 2]" 1
981 1 101 LYS QG 1 102 ILE H . . 3.920 3.532 3.063 3.973 0.053 6 0 "[ . 1 . 2]" 1
982 1 102 ILE H 1 102 ILE MD . . 4.370 3.855 3.694 3.987 . 0 0 "[ . 1 . 2]" 1
983 1 102 ILE H 1 102 ILE QG . . 4.280 2.187 2.055 2.325 . 0 0 "[ . 1 . 2]" 1
984 1 102 ILE H 1 102 ILE MG . . 3.810 2.838 2.605 3.014 . 0 0 "[ . 1 . 2]" 1
985 1 102 ILE H 1 103 THR H . . 4.730 4.441 4.354 4.560 . 0 0 "[ . 1 . 2]" 1
986 1 102 ILE HA 1 102 ILE MG . . 3.090 2.321 2.299 2.366 . 0 0 "[ . 1 . 2]" 1
987 1 102 ILE HA 1 103 THR H . . 2.840 2.225 2.196 2.301 . 0 0 "[ . 1 . 2]" 1
988 1 102 ILE HB 1 102 ILE MD . . 3.630 2.367 2.349 2.430 . 0 0 "[ . 1 . 2]" 1
989 1 102 ILE HB 1 103 THR H . . 3.440 2.888 2.650 2.991 . 0 0 "[ . 1 . 2]" 1
990 1 102 ILE MD 1 102 ILE MG . . 2.970 2.101 2.033 2.148 . 0 0 "[ . 1 . 2]" 1
991 1 102 ILE MD 1 103 THR H . . 4.870 4.675 4.436 4.786 . 0 0 "[ . 1 . 2]" 1
992 1 102 ILE QG 1 102 ILE MG . . 2.910 2.268 2.251 2.295 . 0 0 "[ . 1 . 2]" 1
993 1 102 ILE QG 1 103 THR H . . 4.070 3.759 3.575 3.876 . 0 0 "[ . 1 . 2]" 1
994 1 102 ILE MG 1 103 THR H . . 4.110 3.925 3.857 3.974 . 0 0 "[ . 1 . 2]" 1
995 1 103 THR H 1 103 THR MG . . 3.750 3.350 2.961 3.742 . 0 0 "[ . 1 . 2]" 1
996 1 103 THR H 1 104 HIS H . . 5.090 4.419 4.347 4.499 . 0 0 "[ . 1 . 2]" 1
997 1 103 THR HA 1 103 THR MG . . 3.460 2.155 2.009 2.375 . 0 0 "[ . 1 . 2]" 1
998 1 103 THR HA 1 104 HIS H . . 3.110 2.345 2.229 2.431 . 0 0 "[ . 1 . 2]" 1
999 1 103 THR HB 1 104 HIS H . . 3.860 2.604 2.324 2.904 . 0 0 "[ . 1 . 2]" 1
1000 1 103 THR MG 1 104 HIS H . . 4.470 3.418 2.395 3.940 . 0 0 "[ . 1 . 2]" 1
1001 1 105 HIS HA 1 105 HIS HD2 . . 4.710 4.261 2.632 4.709 . 0 0 "[ . 1 . 2]" 1
1002 1 105 HIS HA 1 106 TRP H . . 3.300 2.170 2.139 2.276 . 0 0 "[ . 1 . 2]" 1
1003 1 106 TRP H 1 106 TRP QB . . 3.640 2.521 2.337 2.695 . 0 0 "[ . 1 . 2]" 1
1004 1 106 TRP HA 1 106 TRP HE3 . . 3.730 2.033 1.996 2.253 . 0 0 "[ . 1 . 2]" 1
1005 1 106 TRP HA 1 107 HIS H . . 3.430 2.154 2.140 2.192 . 0 0 "[ . 1 . 2]" 1
1006 1 106 TRP HA 1 107 HIS HA . . 4.480 4.398 4.368 4.426 . 0 0 "[ . 1 . 2]" 1
1007 1 107 HIS HA 1 108 ARG H . . 3.230 2.211 2.144 2.248 . 0 0 "[ . 1 . 2]" 1
1008 1 108 ARG H 1 108 ARG QB . . 3.540 2.457 2.182 2.713 . 0 0 "[ . 1 . 2]" 1
1009 1 108 ARG H 1 109 SER QB . . 5.190 4.944 4.340 5.189 . 0 0 "[ . 1 . 2]" 1
1010 1 108 ARG HA 1 109 SER H . . 3.340 2.183 2.140 2.308 . 0 0 "[ . 1 . 2]" 1
1011 1 108 ARG HA 1 109 SER QB . . 4.980 4.087 3.912 4.732 . 0 0 "[ . 1 . 2]" 1
1012 1 108 ARG QG 1 109 SER H . . 4.990 3.684 2.615 4.546 . 0 0 "[ . 1 . 2]" 1
1013 1 109 SER H 1 109 SER QB . . 3.480 2.690 2.282 3.094 . 0 0 "[ . 1 . 2]" 1
1014 1 111 SER QB 1 112 THR H . . 4.740 2.970 2.059 4.056 . 0 0 "[ . 1 . 2]" 1
1015 1 112 THR H 1 113 ILE H . . 3.220 2.576 1.908 3.050 . 0 0 "[ . 1 . 2]" 1
1016 1 112 THR HA 1 112 THR MG . . 3.570 2.335 2.056 3.202 . 0 0 "[ . 1 . 2]" 1
1017 1 112 THR MG 1 113 ILE H . . 4.480 3.728 1.948 4.371 . 0 0 "[ . 1 . 2]" 1
1018 1 113 ILE H 1 113 ILE HB . . 3.600 2.956 2.511 3.617 0.017 3 0 "[ . 1 . 2]" 1
1019 1 113 ILE H 1 113 ILE HG12 . . 4.840 3.798 1.948 4.820 . 0 0 "[ . 1 . 2]" 1
1020 1 113 ILE H 1 113 ILE QG . . 4.200 3.050 1.929 4.097 . 0 0 "[ . 1 . 2]" 1
1021 1 113 ILE H 1 113 ILE HG13 . . 4.840 3.396 1.975 4.586 . 0 0 "[ . 1 . 2]" 1
1022 1 113 ILE H 1 113 ILE MG . . 4.680 2.712 1.930 3.928 . 0 0 "[ . 1 . 2]" 1
1023 1 113 ILE H 1 114 GLY H . . 4.530 4.268 2.758 4.536 0.006 8 0 "[ . 1 . 2]" 1
1024 1 113 ILE HA 1 114 GLY H . . 3.500 2.354 2.147 3.515 0.015 6 0 "[ . 1 . 2]" 1
1025 1 113 ILE HA 1 114 GLY QA . . 4.180 3.953 3.889 4.231 0.051 16 0 "[ . 1 . 2]" 1
1026 1 113 ILE HA 1 115 LYS H . . 5.210 4.505 3.871 5.218 0.008 16 0 "[ . 1 . 2]" 1
1027 1 113 ILE MD 1 114 GLY H . . 5.500 3.836 2.022 5.479 . 0 0 "[ . 1 . 2]" 1
1028 1 113 ILE MD 1 115 LYS H . . 5.500 4.041 2.487 5.477 . 0 0 "[ . 1 . 2]" 1
1029 1 113 ILE QG 1 113 ILE MG . . 3.200 2.133 1.947 2.329 . 0 0 "[ . 1 . 2]" 1
1030 1 113 ILE QG 1 114 GLY H . . 5.340 3.296 2.117 4.401 . 0 0 "[ . 1 . 2]" 1
1031 1 113 ILE MG 1 114 GLY H . . 5.200 3.494 2.368 4.047 . 0 0 "[ . 1 . 2]" 1
1032 1 113 ILE MG 1 115 LYS H . . 5.500 3.800 1.972 5.048 . 0 0 "[ . 1 . 2]" 1
1033 1 114 GLY H 1 115 LYS H . . 5.500 2.897 2.011 3.692 . 0 0 "[ . 1 . 2]" 1
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