NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
417970 |
2ds4   |
10327 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ds4
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 2038
_Distance_constraint_stats_list.Viol_count 363
_Distance_constraint_stats_list.Viol_total 87.329
_Distance_constraint_stats_list.Viol_max 0.182
_Distance_constraint_stats_list.Viol_rms 0.0026
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 5 SER 0.003 0.003 13 0 "[ . 1 . 2]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.103 0.050 15 0 "[ . 1 . 2]"
1 9 VAL 0.009 0.008 6 0 "[ . 1 . 2]"
1 10 ASP 0.043 0.014 3 0 "[ . 1 . 2]"
1 11 PRO 0.012 0.008 6 0 "[ . 1 . 2]"
1 12 ALA 0.032 0.014 3 0 "[ . 1 . 2]"
1 13 LYS 0.039 0.017 5 0 "[ . 1 . 2]"
1 14 CYS 0.034 0.009 12 0 "[ . 1 . 2]"
1 15 VAL 0.018 0.008 6 0 "[ . 1 . 2]"
1 16 LEU 0.011 0.006 19 0 "[ . 1 . 2]"
1 17 GLN 0.003 0.001 9 0 "[ . 1 . 2]"
1 18 GLY 0.004 0.001 9 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ASP 0.001 0.001 13 0 "[ . 1 . 2]"
1 21 LEU 0.019 0.007 7 0 "[ . 1 . 2]"
1 22 HIS 0.010 0.006 7 0 "[ . 1 . 2]"
1 23 ARG 0.553 0.141 9 0 "[ . 1 . 2]"
1 24 ALA 0.048 0.020 18 0 "[ . 1 . 2]"
1 25 ARG 0.163 0.047 19 0 "[ . 1 . 2]"
1 26 GLU 0.090 0.016 17 0 "[ . 1 . 2]"
1 27 LYS 0.401 0.153 18 0 "[ . 1 . 2]"
1 28 GLN 0.055 0.033 11 0 "[ . 1 . 2]"
1 29 THR 0.005 0.002 11 0 "[ . 1 . 2]"
1 30 ALA 0.013 0.011 17 0 "[ . 1 . 2]"
1 31 SER 0.004 0.004 11 0 "[ . 1 . 2]"
1 32 PHE 0.021 0.004 3 0 "[ . 1 . 2]"
1 33 THR 0.012 0.004 7 0 "[ . 1 . 2]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.015 0.008 6 0 "[ . 1 . 2]"
1 36 CYS 0.004 0.002 17 0 "[ . 1 . 2]"
1 37 LYS 0.011 0.003 3 0 "[ . 1 . 2]"
1 38 ASP 0.003 0.001 9 0 "[ . 1 . 2]"
1 39 ALA 0.015 0.003 4 0 "[ . 1 . 2]"
1 40 ALA 0.015 0.005 17 0 "[ . 1 . 2]"
1 41 GLY 0.012 0.005 17 0 "[ . 1 . 2]"
1 42 GLU 0.014 0.006 17 0 "[ . 1 . 2]"
1 43 ILE 0.021 0.011 5 0 "[ . 1 . 2]"
1 44 MET 0.022 0.011 5 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ARG 0.257 0.040 6 0 "[ . 1 . 2]"
1 47 GLY 0.014 0.014 17 0 "[ . 1 . 2]"
1 48 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.013 0.009 3 0 "[ . 1 . 2]"
1 50 ASN 0.009 0.007 17 0 "[ . 1 . 2]"
1 51 VAL 0.021 0.009 3 0 "[ . 1 . 2]"
1 52 GLN 0.184 0.059 8 0 "[ . 1 . 2]"
1 53 VAL 0.131 0.059 8 0 "[ . 1 . 2]"
1 54 ALA 0.011 0.003 13 0 "[ . 1 . 2]"
1 55 VAL 0.012 0.005 20 0 "[ . 1 . 2]"
1 56 VAL 0.003 0.003 12 0 "[ . 1 . 2]"
1 57 PRO 0.091 0.035 16 0 "[ . 1 . 2]"
1 58 LYS 0.096 0.035 16 0 "[ . 1 . 2]"
1 59 ASP 0.015 0.015 20 0 "[ . 1 . 2]"
1 60 LYS 0.254 0.082 13 0 "[ . 1 . 2]"
1 61 LYS 0.305 0.082 13 0 "[ . 1 . 2]"
1 62 ASP 0.009 0.009 1 0 "[ . 1 . 2]"
1 63 SER 0.022 0.009 1 0 "[ . 1 . 2]"
1 64 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.021 0.010 5 0 "[ . 1 . 2]"
1 66 ARG 0.010 0.010 5 0 "[ . 1 . 2]"
1 67 THR 0.010 0.007 10 0 "[ . 1 . 2]"
1 68 MET 0.008 0.006 20 0 "[ . 1 . 2]"
1 69 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ASP 0.000 0.000 5 0 "[ . 1 . 2]"
1 72 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 LYS 0.018 0.018 20 0 "[ . 1 . 2]"
1 74 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 TYR 0.003 0.003 3 0 "[ . 1 . 2]"
1 78 TYR 0.040 0.012 3 0 "[ . 1 . 2]"
1 79 ILE 0.012 0.008 4 0 "[ . 1 . 2]"
1 80 SER 0.027 0.011 17 0 "[ . 1 . 2]"
1 81 TYR 0.033 0.007 10 0 "[ . 1 . 2]"
1 82 THR 0.004 0.002 3 0 "[ . 1 . 2]"
1 83 PRO 0.038 0.010 17 0 "[ . 1 . 2]"
1 84 LYS 0.155 0.047 17 0 "[ . 1 . 2]"
1 85 GLU 0.194 0.099 13 0 "[ . 1 . 2]"
1 86 PRO 0.137 0.099 13 0 "[ . 1 . 2]"
1 87 GLY 0.013 0.006 2 0 "[ . 1 . 2]"
1 88 VAL 0.117 0.022 17 0 "[ . 1 . 2]"
1 89 TYR 0.040 0.008 13 0 "[ . 1 . 2]"
1 90 THR 0.036 0.007 9 0 "[ . 1 . 2]"
1 91 VAL 0.043 0.021 6 0 "[ . 1 . 2]"
1 92 TRP 0.040 0.021 6 0 "[ . 1 . 2]"
1 93 VAL 0.039 0.010 20 0 "[ . 1 . 2]"
1 94 CYS 0.035 0.010 20 0 "[ . 1 . 2]"
1 95 ILE 0.036 0.022 13 0 "[ . 1 . 2]"
1 96 LYS 0.030 0.022 13 0 "[ . 1 . 2]"
1 97 GLU 0.100 0.089 17 0 "[ . 1 . 2]"
1 98 GLN 0.012 0.005 9 0 "[ . 1 . 2]"
1 99 HIS 0.008 0.005 9 0 "[ . 1 . 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 GLN 0.014 0.005 7 0 "[ . 1 . 2]"
1 102 GLY 0.010 0.005 7 0 "[ . 1 . 2]"
1 103 SER 0.100 0.040 19 0 "[ . 1 . 2]"
1 104 PRO 0.020 0.007 9 0 "[ . 1 . 2]"
1 105 PHE 0.023 0.007 7 0 "[ . 1 . 2]"
1 106 THR 0.020 0.013 16 0 "[ . 1 . 2]"
1 107 VAL 0.037 0.011 13 0 "[ . 1 . 2]"
1 108 THR 0.119 0.026 9 0 "[ . 1 . 2]"
1 109 VAL 0.134 0.022 17 0 "[ . 1 . 2]"
1 110 ARG 0.115 0.047 19 0 "[ . 1 . 2]"
1 111 ARG 0.608 0.182 12 0 "[ . 1 . 2]"
1 112 LYS 0.318 0.093 6 0 "[ . 1 . 2]"
1 113 HIS 0.000 0.000 . 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 5 SER HA 1 7 GLY H . . 5.280 4.524 3.421 4.991 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER QB 1 44 MET HA . . 4.170 3.353 2.670 3.909 . 0 0 "[ . 1 . 2]" 1
3 1 5 SER HB2 1 44 MET HA . . 4.830 3.954 2.875 4.833 0.003 13 0 "[ . 1 . 2]" 1
4 1 5 SER HB2 1 44 MET QB . . 4.360 3.310 2.015 4.249 . 0 0 "[ . 1 . 2]" 1
5 1 5 SER HB3 1 44 MET HA . . 4.830 4.075 2.694 4.829 . 0 0 "[ . 1 . 2]" 1
6 1 5 SER HB3 1 44 MET QB . . 4.360 3.468 1.942 4.268 . 0 0 "[ . 1 . 2]" 1
7 1 6 SER H 1 7 GLY H . . 4.810 2.756 2.195 3.235 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER QB 1 7 GLY H . . 3.420 2.405 2.023 3.261 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY H 1 8 GLU H . . 3.800 2.818 2.251 3.788 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY H 1 8 GLU HA . . 5.410 4.410 4.184 4.788 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY H 1 38 ASP HB2 . . 4.790 3.701 3.036 4.744 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY H 1 38 ASP QB . . 4.030 3.180 2.941 3.415 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY H 1 38 ASP HB3 . . 4.790 3.963 3.009 4.692 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY H 1 39 ALA H . . 4.980 4.394 3.766 4.872 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY QA 1 8 GLU H . . 2.880 2.403 2.111 2.799 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLY QA 1 8 GLU HA . . 4.730 4.028 3.939 4.074 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA2 1 8 GLU H . . 3.570 3.487 3.206 3.570 . 0 0 "[ . 1 . 2]" 1
18 1 7 GLY HA3 1 8 GLU H . . 3.570 2.455 2.141 2.945 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLU H 1 8 GLU HB2 . . 3.930 3.707 2.646 3.937 0.007 19 0 "[ . 1 . 2]" 1
20 1 8 GLU H 1 8 GLU QB . . 3.170 3.050 2.595 3.178 0.008 13 0 "[ . 1 . 2]" 1
21 1 8 GLU H 1 8 GLU HB3 . . 3.930 3.360 3.015 3.929 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLU H 1 8 GLU HG2 . . 3.730 2.730 2.114 3.729 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLU H 1 8 GLU QG . . 3.240 2.420 1.895 3.115 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLU H 1 8 GLU HG3 . . 3.730 3.139 1.903 3.731 0.001 3 0 "[ . 1 . 2]" 1
25 1 8 GLU H 1 9 VAL H . . 4.700 4.402 4.368 4.472 . 0 0 "[ . 1 . 2]" 1
26 1 8 GLU H 1 38 ASP QB . . 4.030 3.774 3.553 4.023 . 0 0 "[ . 1 . 2]" 1
27 1 8 GLU HA 1 8 GLU HG2 . . 4.170 3.619 2.452 4.190 0.020 16 0 "[ . 1 . 2]" 1
28 1 8 GLU HA 1 8 GLU HG3 . . 4.170 3.733 3.440 4.220 0.050 15 0 "[ . 1 . 2]" 1
29 1 8 GLU HA 1 9 VAL H . . 2.760 2.575 2.470 2.642 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLU HA 1 9 VAL HA . . 4.630 4.342 4.315 4.384 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU HA 1 9 VAL MG1 . . 4.330 4.195 3.884 4.330 0.000 1 0 "[ . 1 . 2]" 1
32 1 8 GLU HA 1 44 MET ME . . 3.710 3.505 3.204 3.711 0.001 7 0 "[ . 1 . 2]" 1
33 1 8 GLU QB 1 9 VAL H . . 2.890 2.094 1.953 2.272 . 0 0 "[ . 1 . 2]" 1
34 1 8 GLU HB2 1 9 VAL H . . 3.710 2.272 1.964 3.285 . 0 0 "[ . 1 . 2]" 1
35 1 8 GLU HB3 1 9 VAL H . . 3.710 3.368 2.052 3.705 . 0 0 "[ . 1 . 2]" 1
36 1 9 VAL H 1 9 VAL HB . . 3.040 2.732 2.569 3.034 . 0 0 "[ . 1 . 2]" 1
37 1 9 VAL H 1 9 VAL MG1 . . 3.110 2.020 1.895 2.169 . 0 0 "[ . 1 . 2]" 1
38 1 9 VAL H 1 9 VAL MG2 . . 4.010 3.796 3.770 3.822 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL H 1 10 ASP H . . 4.650 4.562 4.488 4.613 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL H 1 44 MET ME . . 3.390 3.041 2.781 3.232 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL HA 1 9 VAL MG2 . . 3.290 2.284 2.200 2.405 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL HA 1 10 ASP H . . 3.120 2.209 2.157 2.312 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL HA 1 10 ASP HA . . 5.110 4.409 4.386 4.460 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL HA 1 10 ASP HB2 . . 4.970 4.185 4.106 4.278 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL HA 1 10 ASP HB3 . . 5.350 4.885 4.749 4.958 . 0 0 "[ . 1 . 2]" 1
46 1 9 VAL HA 1 38 ASP HA . . 3.520 2.292 1.997 2.559 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL HA 1 38 ASP QB . . 4.520 3.865 3.229 4.353 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL HA 1 39 ALA H . . 4.620 4.153 3.872 4.539 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL HA 1 44 MET ME . . 3.460 2.218 1.815 2.843 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL HB 1 10 ASP H . . 4.490 4.071 3.865 4.197 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL HB 1 36 CYS HB2 . . 5.480 5.324 5.026 5.474 . 0 0 "[ . 1 . 2]" 1
52 1 9 VAL HB 1 36 CYS HB3 . . 4.860 3.997 3.758 4.218 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL HB 1 38 ASP HA . . 5.480 4.502 4.247 4.840 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL MG1 1 10 ASP H . . 4.030 3.789 3.604 3.973 . 0 0 "[ . 1 . 2]" 1
55 1 9 VAL MG1 1 11 PRO QD . . 4.330 3.984 3.565 4.338 0.008 6 0 "[ . 1 . 2]" 1
56 1 9 VAL MG1 1 49 ASP HB2 . . 4.610 3.824 2.636 4.562 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL MG1 1 49 ASP QB . . 3.740 2.838 1.951 3.687 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL MG1 1 49 ASP HB3 . . 4.610 3.009 1.973 4.043 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL MG1 1 96 LYS QE . . 4.130 2.732 1.913 3.771 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL MG1 1 96 LYS QG . . 4.010 3.873 3.369 4.011 0.001 4 0 "[ . 1 . 2]" 1
61 1 9 VAL MG2 1 10 ASP H . . 3.510 2.145 1.934 2.405 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL MG2 1 36 CYS HA . . 4.240 3.412 3.111 3.655 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL MG2 1 36 CYS HB2 . . 3.950 3.680 3.488 3.925 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL MG2 1 36 CYS HB3 . . 3.380 2.200 1.961 2.413 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL MG2 1 37 LYS H . . 3.620 3.119 2.718 3.364 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL MG2 1 38 ASP HA . . 4.150 3.648 3.422 3.806 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL MG2 1 44 MET ME . . 3.530 2.467 1.929 3.242 . 0 0 "[ . 1 . 2]" 1
68 1 10 ASP H 1 10 ASP HB2 . . 3.980 2.819 2.618 3.022 . 0 0 "[ . 1 . 2]" 1
69 1 10 ASP H 1 10 ASP HB3 . . 3.750 2.914 2.816 3.015 . 0 0 "[ . 1 . 2]" 1
70 1 10 ASP H 1 11 PRO QD . . 4.790 4.247 4.170 4.290 . 0 0 "[ . 1 . 2]" 1
71 1 10 ASP H 1 37 LYS H . . 4.570 4.220 4.011 4.435 . 0 0 "[ . 1 . 2]" 1
72 1 10 ASP H 1 38 ASP HA . . 3.650 2.892 2.402 3.471 . 0 0 "[ . 1 . 2]" 1
73 1 10 ASP H 1 39 ALA H . . 4.670 4.307 3.995 4.601 . 0 0 "[ . 1 . 2]" 1
74 1 10 ASP H 1 39 ALA HA . . 5.500 4.434 4.014 4.715 . 0 0 "[ . 1 . 2]" 1
75 1 10 ASP H 1 44 MET ME . . 5.100 3.814 3.144 4.630 . 0 0 "[ . 1 . 2]" 1
76 1 10 ASP HA 1 11 PRO QD . . 2.980 1.944 1.897 1.973 . 0 0 "[ . 1 . 2]" 1
77 1 10 ASP HA 1 11 PRO HG2 . . 4.420 4.290 4.214 4.336 . 0 0 "[ . 1 . 2]" 1
78 1 10 ASP HA 1 11 PRO HG3 . . 4.450 4.340 4.316 4.359 . 0 0 "[ . 1 . 2]" 1
79 1 10 ASP HA 1 12 ALA H . . 4.320 4.188 3.912 4.334 0.014 3 0 "[ . 1 . 2]" 1
80 1 10 ASP HA 1 13 LYS H . . 5.010 4.596 4.473 4.681 . 0 0 "[ . 1 . 2]" 1
81 1 10 ASP HA 1 39 ALA HA . . 5.030 4.912 4.728 5.033 0.003 4 0 "[ . 1 . 2]" 1
82 1 10 ASP HB2 1 11 PRO QD . . 4.600 3.794 3.665 3.934 . 0 0 "[ . 1 . 2]" 1
83 1 10 ASP HB2 1 13 LYS H . . 4.610 4.544 4.374 4.616 0.006 7 0 "[ . 1 . 2]" 1
84 1 10 ASP HB2 1 13 LYS QB . . 4.700 4.001 3.788 4.219 . 0 0 "[ . 1 . 2]" 1
85 1 10 ASP HB2 1 13 LYS HD2 . . 5.390 5.138 4.874 5.379 . 0 0 "[ . 1 . 2]" 1
86 1 10 ASP HB2 1 13 LYS HG2 . . 5.020 4.020 3.815 4.195 . 0 0 "[ . 1 . 2]" 1
87 1 10 ASP HB2 1 13 LYS HG3 . . 4.580 3.219 3.029 3.475 . 0 0 "[ . 1 . 2]" 1
88 1 10 ASP HB2 1 39 ALA H . . 4.060 3.484 3.083 3.740 . 0 0 "[ . 1 . 2]" 1
89 1 10 ASP HB2 1 39 ALA HA . . 3.600 2.335 2.123 2.515 . 0 0 "[ . 1 . 2]" 1
90 1 10 ASP HB2 1 39 ALA MB . . 3.990 3.010 2.828 3.269 . 0 0 "[ . 1 . 2]" 1
91 1 10 ASP HB3 1 11 PRO QD . . 4.530 3.664 3.548 3.872 . 0 0 "[ . 1 . 2]" 1
92 1 10 ASP HB3 1 12 ALA H . . 5.130 4.054 3.759 4.277 . 0 0 "[ . 1 . 2]" 1
93 1 10 ASP HB3 1 12 ALA MB . . 4.490 4.057 3.877 4.290 . 0 0 "[ . 1 . 2]" 1
94 1 10 ASP HB3 1 13 LYS H . . 4.080 2.839 2.651 2.951 . 0 0 "[ . 1 . 2]" 1
95 1 10 ASP HB3 1 13 LYS HB2 . . 4.370 2.616 2.366 2.897 . 0 0 "[ . 1 . 2]" 1
96 1 10 ASP HB3 1 13 LYS QB . . 3.780 2.583 2.345 2.851 . 0 0 "[ . 1 . 2]" 1
97 1 10 ASP HB3 1 13 LYS HB3 . . 4.370 4.009 3.830 4.240 . 0 0 "[ . 1 . 2]" 1
98 1 10 ASP HB3 1 13 LYS HD2 . . 4.550 4.313 4.136 4.464 . 0 0 "[ . 1 . 2]" 1
99 1 10 ASP HB3 1 13 LYS HD3 . . 5.040 4.736 4.569 4.855 . 0 0 "[ . 1 . 2]" 1
100 1 10 ASP HB3 1 13 LYS HG2 . . 4.340 2.563 2.357 2.770 . 0 0 "[ . 1 . 2]" 1
101 1 10 ASP HB3 1 13 LYS HG3 . . 4.490 2.186 2.023 2.450 . 0 0 "[ . 1 . 2]" 1
102 1 10 ASP HB3 1 14 CYS HG . . 5.230 4.502 4.288 4.599 . 0 0 "[ . 1 . 2]" 1
103 1 10 ASP HB3 1 39 ALA H . . 4.620 4.554 4.250 4.623 0.003 9 0 "[ . 1 . 2]" 1
104 1 10 ASP HB3 1 39 ALA HA . . 3.790 2.814 2.577 2.998 . 0 0 "[ . 1 . 2]" 1
105 1 10 ASP HB3 1 39 ALA MB . . 4.780 4.102 3.880 4.375 . 0 0 "[ . 1 . 2]" 1
106 1 10 ASP HB3 1 41 GLY H . . 5.480 5.057 4.607 5.346 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO HA 1 13 LYS H . . 4.230 3.866 3.767 3.969 . 0 0 "[ . 1 . 2]" 1
108 1 11 PRO HA 1 14 CYS H . . 4.050 3.096 2.994 3.218 . 0 0 "[ . 1 . 2]" 1
109 1 11 PRO HA 1 14 CYS HB2 . . 4.640 2.500 2.302 2.654 . 0 0 "[ . 1 . 2]" 1
110 1 11 PRO HA 1 14 CYS HB3 . . 4.810 3.970 3.825 4.114 . 0 0 "[ . 1 . 2]" 1
111 1 11 PRO HA 1 14 CYS HG . . 3.730 2.623 2.269 2.901 . 0 0 "[ . 1 . 2]" 1
112 1 11 PRO HA 1 95 ILE MD . . 4.330 2.950 2.627 3.216 . 0 0 "[ . 1 . 2]" 1
113 1 11 PRO HA 1 100 VAL MG1 . . 3.360 2.332 1.979 2.679 . 0 0 "[ . 1 . 2]" 1
114 1 11 PRO HA 1 101 GLN H . . 4.990 4.755 4.584 4.976 . 0 0 "[ . 1 . 2]" 1
115 1 11 PRO QB 1 12 ALA H . . 3.430 2.932 2.807 3.116 . 0 0 "[ . 1 . 2]" 1
116 1 11 PRO QB 1 94 CYS HA . . 4.730 4.294 3.983 4.530 . 0 0 "[ . 1 . 2]" 1
117 1 11 PRO QB 1 95 ILE H . . 3.710 3.019 2.812 3.185 . 0 0 "[ . 1 . 2]" 1
118 1 11 PRO QB 1 100 VAL H . . 4.890 3.692 3.424 3.943 . 0 0 "[ . 1 . 2]" 1
119 1 11 PRO QB 1 100 VAL MG1 . . 4.020 2.237 1.845 2.554 . 0 0 "[ . 1 . 2]" 1
120 1 11 PRO HB2 1 95 ILE H . . 4.460 3.893 3.733 4.084 . 0 0 "[ . 1 . 2]" 1
121 1 11 PRO HB2 1 95 ILE HB . . 4.470 3.853 3.582 4.153 . 0 0 "[ . 1 . 2]" 1
122 1 11 PRO HB2 1 100 VAL HA . . 4.280 2.241 2.001 2.546 . 0 0 "[ . 1 . 2]" 1
123 1 11 PRO HB3 1 95 ILE H . . 4.460 3.148 2.894 3.396 . 0 0 "[ . 1 . 2]" 1
124 1 11 PRO HB3 1 95 ILE HB . . 4.470 2.268 2.165 2.440 . 0 0 "[ . 1 . 2]" 1
125 1 11 PRO HB3 1 100 VAL HA . . 4.280 3.677 3.401 3.961 . 0 0 "[ . 1 . 2]" 1
126 1 11 PRO QD 1 12 ALA H . . 3.480 2.660 2.607 2.708 . 0 0 "[ . 1 . 2]" 1
127 1 11 PRO QD 1 95 ILE HB . . 4.610 4.063 3.765 4.341 . 0 0 "[ . 1 . 2]" 1
128 1 11 PRO QD 1 95 ILE MG . . 4.370 3.785 3.408 4.030 . 0 0 "[ . 1 . 2]" 1
129 1 11 PRO QD 1 98 GLN HB2 . . 5.020 3.774 3.557 4.155 . 0 0 "[ . 1 . 2]" 1
130 1 11 PRO QD 1 98 GLN HB3 . . 5.040 4.175 3.826 4.676 . 0 0 "[ . 1 . 2]" 1
131 1 11 PRO HG2 1 12 ALA H . . 4.400 2.034 1.905 2.250 . 0 0 "[ . 1 . 2]" 1
132 1 11 PRO HG2 1 95 ILE HB . . 5.200 5.181 5.116 5.203 0.003 7 0 "[ . 1 . 2]" 1
133 1 11 PRO HG2 1 98 GLN HG3 . . 5.500 5.298 5.033 5.470 . 0 0 "[ . 1 . 2]" 1
134 1 11 PRO HG3 1 12 ALA H . . 4.560 3.631 3.533 3.792 . 0 0 "[ . 1 . 2]" 1
135 1 11 PRO HG3 1 95 ILE HB . . 4.280 4.098 3.923 4.240 . 0 0 "[ . 1 . 2]" 1
136 1 11 PRO HG3 1 98 GLN HG2 . . 4.470 4.099 3.841 4.320 . 0 0 "[ . 1 . 2]" 1
137 1 11 PRO HG3 1 98 GLN HG3 . . 4.200 3.945 3.731 4.089 . 0 0 "[ . 1 . 2]" 1
138 1 12 ALA H 1 12 ALA MB . . 2.810 2.181 2.041 2.235 . 0 0 "[ . 1 . 2]" 1
139 1 12 ALA H 1 13 LYS H . . 3.170 2.711 2.573 2.800 . 0 0 "[ . 1 . 2]" 1
140 1 12 ALA H 1 14 CYS H . . 4.190 4.107 3.969 4.199 0.009 12 0 "[ . 1 . 2]" 1
141 1 12 ALA HA 1 14 CYS H . . 4.690 4.377 4.228 4.555 . 0 0 "[ . 1 . 2]" 1
142 1 12 ALA HA 1 101 GLN H . . 3.990 3.254 2.957 3.621 . 0 0 "[ . 1 . 2]" 1
143 1 12 ALA HA 1 101 GLN HA . . 4.260 3.868 3.612 4.163 . 0 0 "[ . 1 . 2]" 1
144 1 12 ALA HA 1 101 GLN HB2 . . 4.000 3.393 3.096 3.726 . 0 0 "[ . 1 . 2]" 1
145 1 12 ALA HA 1 101 GLN HB3 . . 5.010 4.624 4.283 4.970 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA MB 1 13 LYS H . . 3.520 2.919 2.813 3.027 . 0 0 "[ . 1 . 2]" 1
147 1 12 ALA MB 1 13 LYS QE . . 4.130 3.094 2.757 3.461 . 0 0 "[ . 1 . 2]" 1
148 1 12 ALA MB 1 13 LYS HG2 . . 3.730 3.010 2.879 3.167 . 0 0 "[ . 1 . 2]" 1
149 1 13 LYS H 1 13 LYS HB2 . . 3.690 2.566 2.491 2.664 . 0 0 "[ . 1 . 2]" 1
150 1 13 LYS H 1 13 LYS QB . . 3.160 2.518 2.450 2.605 . 0 0 "[ . 1 . 2]" 1
151 1 13 LYS H 1 13 LYS HB3 . . 3.690 3.659 3.631 3.692 0.002 1 0 "[ . 1 . 2]" 1
152 1 13 LYS H 1 13 LYS HD3 . . 4.830 4.680 4.419 4.773 . 0 0 "[ . 1 . 2]" 1
153 1 13 LYS H 1 13 LYS HG2 . . 3.880 2.377 2.216 2.599 . 0 0 "[ . 1 . 2]" 1
154 1 13 LYS H 1 13 LYS HG3 . . 3.670 3.470 3.379 3.603 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS H 1 14 CYS H . . 3.010 2.221 2.116 2.318 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS H 1 14 CYS HA . . 4.930 4.841 4.737 4.935 0.005 7 0 "[ . 1 . 2]" 1
157 1 13 LYS H 1 14 CYS HB2 . . 4.540 4.271 4.159 4.401 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS H 1 14 CYS HG . . 4.040 4.011 3.950 4.047 0.007 11 0 "[ . 1 . 2]" 1
159 1 13 LYS HA 1 13 LYS HD2 . . 4.420 4.134 3.912 4.223 . 0 0 "[ . 1 . 2]" 1
160 1 13 LYS HA 1 13 LYS HD3 . . 3.590 3.038 2.437 3.190 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS HA 1 13 LYS QE . . 3.710 2.214 1.965 3.519 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS HA 1 13 LYS HG2 . . 3.630 2.864 2.764 2.965 . 0 0 "[ . 1 . 2]" 1
163 1 13 LYS QB 1 13 LYS HD3 . . 3.570 2.119 2.059 2.326 . 0 0 "[ . 1 . 2]" 1
164 1 13 LYS QB 1 14 CYS H . . 3.950 2.820 2.687 2.989 . 0 0 "[ . 1 . 2]" 1
165 1 13 LYS QB 1 14 CYS HA . . 5.030 3.895 3.854 3.931 . 0 0 "[ . 1 . 2]" 1
166 1 13 LYS QB 1 37 LYS QB . . 3.560 2.470 2.311 2.661 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS QB 1 41 GLY H . . 4.440 3.391 3.038 3.622 . 0 0 "[ . 1 . 2]" 1
168 1 13 LYS QB 1 41 GLY QA . . 3.930 2.046 1.952 2.179 . 0 0 "[ . 1 . 2]" 1
169 1 13 LYS HB2 1 13 LYS QE . . 4.320 3.897 3.791 4.337 0.017 5 0 "[ . 1 . 2]" 1
170 1 13 LYS HB2 1 14 CYS H . . 4.520 2.887 2.740 3.065 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS HB2 1 37 LYS QB . . 4.240 2.859 2.624 3.102 . 0 0 "[ . 1 . 2]" 1
172 1 13 LYS HB2 1 41 GLY HA2 . . 5.160 3.478 3.183 3.680 . 0 0 "[ . 1 . 2]" 1
173 1 13 LYS HB2 1 41 GLY HA3 . . 5.160 4.968 4.533 5.160 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS HB3 1 13 LYS QE . . 4.320 3.227 3.053 3.927 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS HB3 1 14 CYS H . . 4.520 3.961 3.846 4.144 . 0 0 "[ . 1 . 2]" 1
176 1 13 LYS HB3 1 37 LYS QB . . 4.240 2.713 2.566 2.918 . 0 0 "[ . 1 . 2]" 1
177 1 13 LYS HB3 1 41 GLY HA2 . . 5.160 2.081 2.001 2.224 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS HB3 1 41 GLY HA3 . . 5.160 3.379 2.982 3.558 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS HD2 1 39 ALA HA . . 3.810 3.433 2.990 3.791 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS HD2 1 41 GLY H . . 4.110 3.236 2.672 3.716 . 0 0 "[ . 1 . 2]" 1
181 1 13 LYS HD2 1 41 GLY HA2 . . 4.670 3.534 2.548 3.999 . 0 0 "[ . 1 . 2]" 1
182 1 13 LYS HD2 1 41 GLY QA . . 4.050 3.159 2.328 3.599 . 0 0 "[ . 1 . 2]" 1
183 1 13 LYS HD2 1 41 GLY HA3 . . 4.670 3.562 2.644 4.099 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS HD3 1 41 GLY H . . 4.610 3.241 2.643 4.183 . 0 0 "[ . 1 . 2]" 1
185 1 13 LYS HD3 1 41 GLY HA2 . . 4.470 2.405 2.019 3.052 . 0 0 "[ . 1 . 2]" 1
186 1 13 LYS HD3 1 41 GLY QA . . 3.920 2.186 1.899 2.785 . 0 0 "[ . 1 . 2]" 1
187 1 13 LYS HD3 1 41 GLY HA3 . . 4.470 2.527 2.196 3.214 . 0 0 "[ . 1 . 2]" 1
188 1 13 LYS QE 1 13 LYS HG2 . . 3.360 2.216 2.076 2.335 . 0 0 "[ . 1 . 2]" 1
189 1 13 LYS QE 1 13 LYS HG3 . . 3.680 3.204 2.698 3.395 . 0 0 "[ . 1 . 2]" 1
190 1 13 LYS QE 1 39 ALA HA . . 5.010 4.660 3.512 4.987 . 0 0 "[ . 1 . 2]" 1
191 1 13 LYS QE 1 41 GLY H . . 5.190 4.837 4.422 5.178 . 0 0 "[ . 1 . 2]" 1
192 1 13 LYS QE 1 41 GLY HA2 . . 4.620 4.199 3.866 4.595 . 0 0 "[ . 1 . 2]" 1
193 1 13 LYS QE 1 41 GLY QA . . 4.030 3.722 3.413 4.010 . 0 0 "[ . 1 . 2]" 1
194 1 13 LYS QE 1 41 GLY HA3 . . 4.620 4.163 3.734 4.505 . 0 0 "[ . 1 . 2]" 1
195 1 13 LYS HG2 1 14 CYS H . . 4.740 4.241 4.126 4.386 . 0 0 "[ . 1 . 2]" 1
196 1 13 LYS HG2 1 39 ALA HA . . 4.020 3.642 3.324 3.935 . 0 0 "[ . 1 . 2]" 1
197 1 13 LYS HG3 1 14 CYS H . . 4.950 4.835 4.702 4.940 . 0 0 "[ . 1 . 2]" 1
198 1 13 LYS HG3 1 39 ALA HA . . 3.620 2.350 2.149 2.638 . 0 0 "[ . 1 . 2]" 1
199 1 13 LYS HG3 1 41 GLY H . . 4.280 3.292 2.983 3.569 . 0 0 "[ . 1 . 2]" 1
200 1 13 LYS HG3 1 41 GLY HA2 . . 4.890 3.604 3.337 3.865 . 0 0 "[ . 1 . 2]" 1
201 1 13 LYS HG3 1 41 GLY QA . . 4.280 3.478 3.228 3.719 . 0 0 "[ . 1 . 2]" 1
202 1 13 LYS HG3 1 41 GLY HA3 . . 4.890 4.580 4.253 4.851 . 0 0 "[ . 1 . 2]" 1
203 1 14 CYS H 1 14 CYS HB2 . . 3.480 2.373 2.301 2.451 . 0 0 "[ . 1 . 2]" 1
204 1 14 CYS H 1 14 CYS HB3 . . 3.690 3.573 3.553 3.600 . 0 0 "[ . 1 . 2]" 1
205 1 14 CYS H 1 14 CYS HG . . 3.190 2.604 2.488 2.790 . 0 0 "[ . 1 . 2]" 1
206 1 14 CYS H 1 15 VAL H . . 4.780 4.639 4.600 4.649 . 0 0 "[ . 1 . 2]" 1
207 1 14 CYS H 1 37 LYS H . . 4.700 4.207 4.066 4.364 . 0 0 "[ . 1 . 2]" 1
208 1 14 CYS H 1 100 VAL HB . . 4.550 4.237 4.026 4.529 . 0 0 "[ . 1 . 2]" 1
209 1 14 CYS H 1 100 VAL MG1 . . 4.400 4.191 3.895 4.399 . 0 0 "[ . 1 . 2]" 1
210 1 14 CYS H 1 101 GLN H . . 4.340 4.252 4.114 4.344 0.004 7 0 "[ . 1 . 2]" 1
211 1 14 CYS HA 1 15 VAL H . . 2.960 2.355 2.245 2.523 . 0 0 "[ . 1 . 2]" 1
212 1 14 CYS HA 1 15 VAL MG2 . . 3.830 3.134 2.989 3.241 . 0 0 "[ . 1 . 2]" 1
213 1 14 CYS HA 1 36 CYS HA . . 4.320 3.359 3.070 3.701 . 0 0 "[ . 1 . 2]" 1
214 1 14 CYS HA 1 37 LYS H . . 3.820 2.846 2.666 3.031 . 0 0 "[ . 1 . 2]" 1
215 1 14 CYS HA 1 37 LYS HG3 . . 5.160 5.101 4.734 5.162 0.002 4 0 "[ . 1 . 2]" 1
216 1 14 CYS HB2 1 15 VAL H . . 4.110 3.855 3.555 4.070 . 0 0 "[ . 1 . 2]" 1
217 1 14 CYS HB2 1 34 LEU MD1 . . 4.100 3.850 3.608 4.097 . 0 0 "[ . 1 . 2]" 1
218 1 14 CYS HB2 1 36 CYS HA . . 4.990 4.763 4.559 4.968 . 0 0 "[ . 1 . 2]" 1
219 1 14 CYS HB2 1 37 LYS H . . 5.110 4.804 4.536 5.019 . 0 0 "[ . 1 . 2]" 1
220 1 14 CYS HB2 1 100 VAL HB . . 3.980 2.547 2.354 2.741 . 0 0 "[ . 1 . 2]" 1
221 1 14 CYS HB2 1 100 VAL MG1 . . 3.530 2.443 2.119 2.678 . 0 0 "[ . 1 . 2]" 1
222 1 14 CYS HB2 1 100 VAL MG2 . . 4.370 3.912 3.636 4.179 . 0 0 "[ . 1 . 2]" 1
223 1 14 CYS HB2 1 101 GLN H . . 4.290 3.658 3.345 3.906 . 0 0 "[ . 1 . 2]" 1
224 1 14 CYS HB3 1 15 VAL H . . 3.610 2.570 2.172 2.882 . 0 0 "[ . 1 . 2]" 1
225 1 14 CYS HB3 1 34 LEU MD1 . . 3.400 2.515 2.273 2.747 . 0 0 "[ . 1 . 2]" 1
226 1 14 CYS HB3 1 95 ILE MD . . 4.770 3.166 2.695 3.613 . 0 0 "[ . 1 . 2]" 1
227 1 14 CYS HB3 1 100 VAL HB . . 4.200 3.456 3.241 3.622 . 0 0 "[ . 1 . 2]" 1
228 1 14 CYS HB3 1 100 VAL MG1 . . 3.720 3.204 2.944 3.376 . 0 0 "[ . 1 . 2]" 1
229 1 14 CYS HB3 1 100 VAL MG2 . . 4.540 4.043 3.749 4.320 . 0 0 "[ . 1 . 2]" 1
230 1 14 CYS HB3 1 101 GLN H . . 5.010 4.763 4.458 4.948 . 0 0 "[ . 1 . 2]" 1
231 1 14 CYS HG 1 37 LYS H . . 3.780 3.025 2.735 3.455 . 0 0 "[ . 1 . 2]" 1
232 1 14 CYS HG 1 95 ILE MD . . 3.880 3.374 3.148 3.633 . 0 0 "[ . 1 . 2]" 1
233 1 15 VAL H 1 15 VAL HB . . 3.900 3.732 3.669 3.799 . 0 0 "[ . 1 . 2]" 1
234 1 15 VAL H 1 15 VAL MG1 . . 4.050 3.474 3.379 3.526 . 0 0 "[ . 1 . 2]" 1
235 1 15 VAL H 1 15 VAL MG2 . . 3.440 2.130 1.930 2.298 . 0 0 "[ . 1 . 2]" 1
236 1 15 VAL H 1 34 LEU MD1 . . 4.020 3.229 2.763 3.566 . 0 0 "[ . 1 . 2]" 1
237 1 15 VAL H 1 35 LEU H . . 3.870 3.685 3.476 3.852 . 0 0 "[ . 1 . 2]" 1
238 1 15 VAL H 1 35 LEU QB . . 3.840 3.091 2.547 3.329 . 0 0 "[ . 1 . 2]" 1
239 1 15 VAL H 1 36 CYS HA . . 4.670 4.223 3.912 4.450 . 0 0 "[ . 1 . 2]" 1
240 1 15 VAL H 1 37 LYS H . . 4.790 4.678 4.500 4.780 . 0 0 "[ . 1 . 2]" 1
241 1 15 VAL H 1 37 LYS HD2 . . 4.680 3.759 3.586 4.088 . 0 0 "[ . 1 . 2]" 1
242 1 15 VAL H 1 37 LYS QD . . 4.010 3.310 3.024 3.586 . 0 0 "[ . 1 . 2]" 1
243 1 15 VAL H 1 37 LYS HD3 . . 4.680 3.706 3.239 4.137 . 0 0 "[ . 1 . 2]" 1
244 1 15 VAL H 1 37 LYS QE . . 5.030 3.828 3.371 4.226 . 0 0 "[ . 1 . 2]" 1
245 1 15 VAL HA 1 15 VAL MG1 . . 3.280 2.218 2.210 2.240 . 0 0 "[ . 1 . 2]" 1
246 1 15 VAL HA 1 15 VAL MG2 . . 3.550 3.143 3.131 3.153 . 0 0 "[ . 1 . 2]" 1
247 1 15 VAL HA 1 16 LEU H . . 2.950 2.540 2.426 2.605 . 0 0 "[ . 1 . 2]" 1
248 1 15 VAL HA 1 16 LEU HG . . 5.040 3.283 3.183 3.384 . 0 0 "[ . 1 . 2]" 1
249 1 15 VAL HA 1 101 GLN HB2 . . 5.320 4.933 4.474 5.226 . 0 0 "[ . 1 . 2]" 1
250 1 15 VAL HA 1 101 GLN HB3 . . 4.590 3.298 2.881 3.507 . 0 0 "[ . 1 . 2]" 1
251 1 15 VAL HB 1 16 LEU H . . 3.510 2.125 1.977 2.387 . 0 0 "[ . 1 . 2]" 1
252 1 15 VAL HB 1 35 LEU QB . . 4.280 4.151 3.823 4.288 0.008 6 0 "[ . 1 . 2]" 1
253 1 15 VAL HB 1 35 LEU HG . . 5.440 5.298 4.889 5.444 0.004 13 0 "[ . 1 . 2]" 1
254 1 15 VAL MG1 1 16 LEU H . . 3.120 3.065 3.025 3.126 0.006 19 0 "[ . 1 . 2]" 1
255 1 15 VAL MG1 1 101 GLN HB2 . . 4.310 4.154 3.790 4.305 . 0 0 "[ . 1 . 2]" 1
256 1 15 VAL MG1 1 101 GLN HB3 . . 3.950 3.173 2.867 3.449 . 0 0 "[ . 1 . 2]" 1
257 1 15 VAL MG1 1 101 GLN HE21 . . 4.410 3.290 1.807 4.377 . 0 0 "[ . 1 . 2]" 1
258 1 15 VAL MG1 1 101 GLN QE . . 3.880 2.742 1.698 3.670 . 0 0 "[ . 1 . 2]" 1
259 1 15 VAL MG1 1 101 GLN HE22 . . 4.410 3.053 2.061 3.941 . 0 0 "[ . 1 . 2]" 1
260 1 15 VAL MG2 1 16 LEU H . . 3.910 3.615 3.473 3.806 . 0 0 "[ . 1 . 2]" 1
261 1 15 VAL MG2 1 35 LEU H . . 4.580 3.417 3.192 3.724 . 0 0 "[ . 1 . 2]" 1
262 1 15 VAL MG2 1 35 LEU QB . . 3.370 1.954 1.905 2.030 . 0 0 "[ . 1 . 2]" 1
263 1 15 VAL MG2 1 35 LEU HG . . 3.950 3.635 3.335 3.868 . 0 0 "[ . 1 . 2]" 1
264 1 15 VAL MG2 1 37 LYS HD2 . . 4.370 3.103 2.835 3.550 . 0 0 "[ . 1 . 2]" 1
265 1 15 VAL MG2 1 37 LYS QD . . 3.620 2.242 1.985 2.541 . 0 0 "[ . 1 . 2]" 1
266 1 15 VAL MG2 1 37 LYS HD3 . . 4.370 2.303 2.027 2.603 . 0 0 "[ . 1 . 2]" 1
267 1 15 VAL MG2 1 37 LYS QE . . 3.410 2.157 1.894 2.475 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU H 1 16 LEU HB2 . . 3.050 2.749 2.661 2.833 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU H 1 16 LEU HB3 . . 4.170 3.818 3.738 3.863 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU H 1 16 LEU MD1 . . 3.870 3.636 3.458 3.829 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU H 1 16 LEU MD2 . . 4.640 4.074 3.928 4.167 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU H 1 16 LEU HG . . 3.140 2.859 2.601 3.045 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU H 1 17 GLN H . . 4.520 4.423 4.316 4.506 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU HA 1 16 LEU MD1 . . 4.220 3.966 3.940 3.986 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU HA 1 16 LEU MD2 . . 3.360 2.469 2.240 2.607 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU HA 1 17 GLN H . . 2.970 2.245 2.164 2.343 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU HA 1 34 LEU MD1 . . 4.050 3.061 2.814 3.456 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU HA 1 35 LEU H . . 4.060 3.250 2.905 3.597 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU HB2 1 16 LEU MD1 . . 2.820 2.124 1.990 2.225 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU HB2 1 16 LEU MD2 . . 3.350 3.134 3.118 3.162 . 0 0 "[ . 1 . 2]" 1
281 1 16 LEU HB2 1 17 GLN H . . 4.250 3.827 3.599 4.111 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU HB2 1 17 GLN HA . . 5.090 4.683 4.492 4.834 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU HB2 1 21 LEU MD1 . . 3.960 2.663 2.282 3.120 . 0 0 "[ . 1 . 2]" 1
284 1 16 LEU HB2 1 21 LEU MD2 . . 4.210 4.109 3.865 4.212 0.002 11 0 "[ . 1 . 2]" 1
285 1 16 LEU HB3 1 16 LEU MD1 . . 3.040 2.630 2.555 2.686 . 0 0 "[ . 1 . 2]" 1
286 1 16 LEU HB3 1 17 GLN H . . 3.440 2.872 2.587 3.182 . 0 0 "[ . 1 . 2]" 1
287 1 16 LEU HB3 1 21 LEU MD1 . . 3.500 2.662 2.298 3.232 . 0 0 "[ . 1 . 2]" 1
288 1 16 LEU HB3 1 21 LEU MD2 . . 3.440 3.331 3.143 3.442 0.002 13 0 "[ . 1 . 2]" 1
289 1 16 LEU MD1 1 17 GLN H . . 5.380 4.983 4.768 5.163 . 0 0 "[ . 1 . 2]" 1
290 1 16 LEU MD1 1 21 LEU MD1 . . 3.930 3.167 2.777 3.502 . 0 0 "[ . 1 . 2]" 1
291 1 16 LEU MD1 1 93 VAL HB . . 4.370 3.554 3.121 3.966 . 0 0 "[ . 1 . 2]" 1
292 1 16 LEU MD1 1 93 VAL MG2 . . 3.900 3.305 2.763 3.747 . 0 0 "[ . 1 . 2]" 1
293 1 16 LEU MD1 1 100 VAL MG2 . . 3.200 2.987 2.716 3.164 . 0 0 "[ . 1 . 2]" 1
294 1 16 LEU MD1 1 102 GLY HA2 . . 5.460 5.081 4.598 5.332 . 0 0 "[ . 1 . 2]" 1
295 1 16 LEU MD1 1 102 GLY HA3 . . 4.110 3.893 3.374 4.099 . 0 0 "[ . 1 . 2]" 1
296 1 16 LEU MD1 1 103 SER QB . . 4.300 2.967 2.379 3.721 . 0 0 "[ . 1 . 2]" 1
297 1 16 LEU MD1 1 105 PHE QD . . 3.950 2.990 2.732 3.394 . 0 0 "[ . 1 . 2]" 1
298 1 16 LEU MD1 1 105 PHE QE . . 3.600 2.318 1.975 2.820 . 0 0 "[ . 1 . 2]" 1
299 1 16 LEU MD2 1 17 GLN H . . 3.870 3.674 3.567 3.836 . 0 0 "[ . 1 . 2]" 1
300 1 16 LEU MD2 1 32 PHE QD . . 3.590 2.771 2.329 3.299 . 0 0 "[ . 1 . 2]" 1
301 1 16 LEU MD2 1 32 PHE QE . . 3.530 2.662 2.275 2.961 . 0 0 "[ . 1 . 2]" 1
302 1 16 LEU MD2 1 32 PHE HZ . . 4.740 4.477 4.045 4.734 . 0 0 "[ . 1 . 2]" 1
303 1 16 LEU MD2 1 34 LEU HA . . 3.740 2.939 2.101 3.359 . 0 0 "[ . 1 . 2]" 1
304 1 16 LEU MD2 1 34 LEU HB2 . . 3.870 2.816 2.341 3.132 . 0 0 "[ . 1 . 2]" 1
305 1 16 LEU MD2 1 34 LEU HB3 . . 4.670 4.254 3.730 4.539 . 0 0 "[ . 1 . 2]" 1
306 1 16 LEU MD2 1 93 VAL HB . . 4.000 3.633 3.271 3.974 . 0 0 "[ . 1 . 2]" 1
307 1 16 LEU MD2 1 93 VAL MG2 . . 3.250 2.817 2.435 3.203 . 0 0 "[ . 1 . 2]" 1
308 1 16 LEU MD2 1 105 PHE QE . . 4.500 3.299 2.843 4.083 . 0 0 "[ . 1 . 2]" 1
309 1 16 LEU HG 1 34 LEU MD1 . . 3.390 3.209 3.065 3.374 . 0 0 "[ . 1 . 2]" 1
310 1 16 LEU HG 1 100 VAL MG2 . . 3.790 3.450 3.098 3.696 . 0 0 "[ . 1 . 2]" 1
311 1 17 GLN H 1 17 GLN HB2 . . 3.780 2.453 2.323 2.635 . 0 0 "[ . 1 . 2]" 1
312 1 17 GLN H 1 17 GLN HB3 . . 3.780 3.648 3.533 3.752 . 0 0 "[ . 1 . 2]" 1
313 1 17 GLN H 1 17 GLN QG . . 3.770 3.148 2.750 3.714 . 0 0 "[ . 1 . 2]" 1
314 1 17 GLN H 1 18 GLY H . . 4.840 4.484 4.309 4.540 . 0 0 "[ . 1 . 2]" 1
315 1 17 GLN H 1 21 LEU MD1 . . 5.010 3.487 3.275 3.793 . 0 0 "[ . 1 . 2]" 1
316 1 17 GLN H 1 21 LEU MD2 . . 4.460 4.325 4.136 4.453 . 0 0 "[ . 1 . 2]" 1
317 1 17 GLN H 1 32 PHE HB2 . . 4.840 3.366 2.993 3.764 . 0 0 "[ . 1 . 2]" 1
318 1 17 GLN H 1 32 PHE HB3 . . 5.500 4.952 4.520 5.418 . 0 0 "[ . 1 . 2]" 1
319 1 17 GLN H 1 32 PHE QD . . 4.490 3.722 3.385 3.942 . 0 0 "[ . 1 . 2]" 1
320 1 17 GLN H 1 33 THR H . . 3.910 3.259 2.869 3.548 . 0 0 "[ . 1 . 2]" 1
321 1 17 GLN H 1 33 THR HB . . 4.080 3.914 3.639 4.072 . 0 0 "[ . 1 . 2]" 1
322 1 17 GLN H 1 33 THR MG . . 4.520 4.354 3.906 4.515 . 0 0 "[ . 1 . 2]" 1
323 1 17 GLN H 1 34 LEU HA . . 3.980 3.524 3.267 3.823 . 0 0 "[ . 1 . 2]" 1
324 1 17 GLN HA 1 17 GLN QG . . 3.630 2.416 2.150 2.874 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLN HA 1 18 GLY H . . 2.750 2.302 2.147 2.466 . 0 0 "[ . 1 . 2]" 1
326 1 17 GLN HA 1 18 GLY HA2 . . 4.800 4.565 4.412 4.689 . 0 0 "[ . 1 . 2]" 1
327 1 17 GLN HA 1 18 GLY HA3 . . 4.420 4.380 4.348 4.421 0.001 12 0 "[ . 1 . 2]" 1
328 1 17 GLN HA 1 21 LEU MD1 . . 4.290 3.345 2.914 3.795 . 0 0 "[ . 1 . 2]" 1
329 1 17 GLN QB 1 18 GLY H . . 3.760 2.719 2.325 3.264 . 0 0 "[ . 1 . 2]" 1
330 1 17 GLN QB 1 18 GLY HA3 . . 4.540 4.237 4.053 4.460 . 0 0 "[ . 1 . 2]" 1
331 1 17 GLN QB 1 33 THR H . . 4.260 2.691 1.946 3.153 . 0 0 "[ . 1 . 2]" 1
332 1 17 GLN QB 1 33 THR HA . . 5.240 4.345 4.004 4.809 . 0 0 "[ . 1 . 2]" 1
333 1 17 GLN QB 1 33 THR HB . . 3.360 2.087 1.991 2.292 . 0 0 "[ . 1 . 2]" 1
334 1 17 GLN QB 1 35 LEU HG . . 5.010 3.896 3.191 4.708 . 0 0 "[ . 1 . 2]" 1
335 1 17 GLN HB2 1 18 GLY H . . 4.560 3.983 3.620 4.316 . 0 0 "[ . 1 . 2]" 1
336 1 17 GLN HB2 1 18 GLY HA3 . . 5.220 5.090 4.772 5.221 0.001 9 0 "[ . 1 . 2]" 1
337 1 17 GLN HB2 1 33 THR H . . 4.970 2.775 1.956 3.379 . 0 0 "[ . 1 . 2]" 1
338 1 17 GLN HB2 1 33 THR HB . . 3.850 2.119 2.009 2.328 . 0 0 "[ . 1 . 2]" 1
339 1 17 GLN HB3 1 18 GLY H . . 4.560 2.772 2.347 3.379 . 0 0 "[ . 1 . 2]" 1
340 1 17 GLN HB3 1 18 GLY HA3 . . 5.220 4.539 4.262 4.856 . 0 0 "[ . 1 . 2]" 1
341 1 17 GLN HB3 1 33 THR H . . 4.970 3.732 3.125 4.368 . 0 0 "[ . 1 . 2]" 1
342 1 17 GLN HB3 1 33 THR HB . . 3.850 3.204 2.844 3.843 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLN HE21 1 35 LEU MD1 . . 3.980 2.710 2.011 3.817 . 0 0 "[ . 1 . 2]" 1
344 1 17 GLN HE22 1 35 LEU MD1 . . 3.980 3.396 2.707 3.962 . 0 0 "[ . 1 . 2]" 1
345 1 17 GLN QG 1 18 GLY H . . 4.260 3.932 3.358 4.260 . 0 0 "[ . 1 . 2]" 1
346 1 17 GLN QG 1 33 THR HB . . 4.300 3.375 2.508 4.069 . 0 0 "[ . 1 . 2]" 1
347 1 17 GLN QG 1 35 LEU MD1 . . 4.410 2.161 1.881 2.664 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLY H 1 19 GLU H . . 4.940 3.762 3.057 4.273 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLY H 1 21 LEU MD1 . . 4.820 3.393 2.800 3.743 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLY H 1 21 LEU MD2 . . 5.150 4.900 4.674 5.150 0.000 17 0 "[ . 1 . 2]" 1
351 1 18 GLY HA2 1 19 GLU H . . 3.560 2.201 2.139 2.346 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLY HA2 1 21 LEU MD1 . . 4.350 4.129 3.561 4.324 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLY HA2 1 32 PHE HA . . 4.830 4.476 4.009 4.803 . 0 0 "[ . 1 . 2]" 1
354 1 18 GLY HA2 1 32 PHE HB2 . . 5.120 4.869 4.541 5.114 . 0 0 "[ . 1 . 2]" 1
355 1 18 GLY HA2 1 32 PHE HB3 . . 4.780 4.537 4.210 4.766 . 0 0 "[ . 1 . 2]" 1
356 1 18 GLY HA3 1 21 LEU MD1 . . 4.110 2.911 2.206 3.164 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLY HA3 1 21 LEU MD2 . . 4.220 2.934 2.592 3.232 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLY HA3 1 32 PHE HA . . 4.690 4.019 3.406 4.462 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLY HA3 1 32 PHE HB2 . . 4.850 3.702 3.260 4.062 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLY HA3 1 32 PHE HB3 . . 3.330 3.246 3.065 3.318 . 0 0 "[ . 1 . 2]" 1
361 1 19 GLU H 1 19 GLU HB2 . . 3.660 2.633 2.199 3.642 . 0 0 "[ . 1 . 2]" 1
362 1 19 GLU H 1 19 GLU HB3 . . 3.660 3.179 2.554 3.637 . 0 0 "[ . 1 . 2]" 1
363 1 19 GLU H 1 19 GLU QG . . 4.500 3.009 1.898 4.064 . 0 0 "[ . 1 . 2]" 1
364 1 19 GLU HA 1 19 GLU QG . . 3.910 2.697 2.238 3.430 . 0 0 "[ . 1 . 2]" 1
365 1 19 GLU HA 1 20 ASP HA . . 4.860 4.512 4.363 4.627 . 0 0 "[ . 1 . 2]" 1
366 1 19 GLU HA 1 21 LEU H . . 4.620 4.178 3.586 4.613 . 0 0 "[ . 1 . 2]" 1
367 1 19 GLU QB 1 20 ASP H . . 3.730 2.736 2.363 3.435 . 0 0 "[ . 1 . 2]" 1
368 1 19 GLU HB2 1 20 ASP H . . 4.450 3.391 2.400 4.443 . 0 0 "[ . 1 . 2]" 1
369 1 19 GLU HB3 1 20 ASP H . . 4.450 3.217 2.530 4.074 . 0 0 "[ . 1 . 2]" 1
370 1 20 ASP H 1 20 ASP HB2 . . 4.140 3.443 2.470 4.028 . 0 0 "[ . 1 . 2]" 1
371 1 20 ASP H 1 20 ASP HB3 . . 4.140 3.380 2.728 4.071 . 0 0 "[ . 1 . 2]" 1
372 1 20 ASP H 1 21 LEU H . . 3.770 3.275 2.691 3.723 . 0 0 "[ . 1 . 2]" 1
373 1 20 ASP HA 1 21 LEU H . . 3.170 2.569 2.392 2.767 . 0 0 "[ . 1 . 2]" 1
374 1 20 ASP HA 1 22 HIS H . . 3.960 3.565 3.013 3.896 . 0 0 "[ . 1 . 2]" 1
375 1 20 ASP HA 1 23 ARG H . . 4.550 3.963 3.371 4.374 . 0 0 "[ . 1 . 2]" 1
376 1 20 ASP QB 1 23 ARG H . . 4.150 3.738 3.378 4.005 . 0 0 "[ . 1 . 2]" 1
377 1 20 ASP QB 1 23 ARG QB . . 4.600 2.475 1.975 3.161 . 0 0 "[ . 1 . 2]" 1
378 1 20 ASP HB2 1 21 LEU H . . 4.660 4.365 4.220 4.518 . 0 0 "[ . 1 . 2]" 1
379 1 20 ASP HB3 1 21 LEU H . . 4.660 4.514 4.217 4.661 0.001 13 0 "[ . 1 . 2]" 1
380 1 21 LEU H 1 21 LEU HB2 . . 3.600 2.214 2.161 2.290 . 0 0 "[ . 1 . 2]" 1
381 1 21 LEU H 1 21 LEU QB . . 2.920 2.192 2.141 2.264 . 0 0 "[ . 1 . 2]" 1
382 1 21 LEU H 1 21 LEU HB3 . . 3.600 3.507 3.476 3.559 . 0 0 "[ . 1 . 2]" 1
383 1 21 LEU H 1 21 LEU MD1 . . 4.110 3.714 3.319 4.045 . 0 0 "[ . 1 . 2]" 1
384 1 21 LEU H 1 21 LEU MD2 . . 4.180 4.049 3.931 4.179 . 0 0 "[ . 1 . 2]" 1
385 1 21 LEU H 1 21 LEU HG . . 3.300 3.074 2.844 3.292 . 0 0 "[ . 1 . 2]" 1
386 1 21 LEU HA 1 21 LEU MD1 . . 4.020 3.823 3.796 3.858 . 0 0 "[ . 1 . 2]" 1
387 1 21 LEU HA 1 21 LEU MD2 . . 3.350 2.236 2.007 2.548 . 0 0 "[ . 1 . 2]" 1
388 1 21 LEU HA 1 21 LEU HG . . 3.960 2.712 2.534 2.872 . 0 0 "[ . 1 . 2]" 1
389 1 21 LEU HA 1 23 ARG H . . 4.340 3.625 3.480 3.991 . 0 0 "[ . 1 . 2]" 1
390 1 21 LEU QB 1 21 LEU MD2 . . 3.180 2.176 2.022 2.294 . 0 0 "[ . 1 . 2]" 1
391 1 21 LEU HB2 1 21 LEU MD1 . . 3.590 2.236 2.019 2.382 . 0 0 "[ . 1 . 2]" 1
392 1 21 LEU HB2 1 21 LEU MD2 . . 3.660 3.169 3.126 3.190 . 0 0 "[ . 1 . 2]" 1
393 1 21 LEU HB2 1 22 HIS H . . 3.790 2.855 2.594 3.304 . 0 0 "[ . 1 . 2]" 1
394 1 21 LEU HB3 1 21 LEU MD1 . . 3.590 2.460 2.311 2.654 . 0 0 "[ . 1 . 2]" 1
395 1 21 LEU HB3 1 21 LEU MD2 . . 3.660 2.218 2.048 2.352 . 0 0 "[ . 1 . 2]" 1
396 1 21 LEU HB3 1 22 HIS H . . 3.790 3.399 3.173 3.779 . 0 0 "[ . 1 . 2]" 1
397 1 21 LEU MD1 1 32 PHE HA . . 5.450 5.202 4.891 5.407 . 0 0 "[ . 1 . 2]" 1
398 1 21 LEU MD1 1 32 PHE HB2 . . 4.020 3.483 3.198 3.706 . 0 0 "[ . 1 . 2]" 1
399 1 21 LEU MD1 1 32 PHE HB3 . . 4.000 3.770 3.263 4.000 0.000 10 0 "[ . 1 . 2]" 1
400 1 21 LEU MD1 1 32 PHE QD . . 4.210 4.067 3.893 4.211 0.001 18 0 "[ . 1 . 2]" 1
401 1 21 LEU MD1 1 33 THR H . . 4.900 4.794 4.637 4.887 . 0 0 "[ . 1 . 2]" 1
402 1 21 LEU MD1 1 105 PHE QE . . 4.520 4.449 4.121 4.527 0.007 7 0 "[ . 1 . 2]" 1
403 1 21 LEU MD1 1 105 PHE HZ . . 4.800 4.696 4.357 4.802 0.002 13 0 "[ . 1 . 2]" 1
404 1 21 LEU MD2 1 22 HIS H . . 4.890 4.691 4.565 4.850 . 0 0 "[ . 1 . 2]" 1
405 1 21 LEU MD2 1 32 PHE HB2 . . 3.990 2.569 2.285 2.871 . 0 0 "[ . 1 . 2]" 1
406 1 21 LEU MD2 1 32 PHE HB3 . . 3.940 1.995 1.935 2.068 . 0 0 "[ . 1 . 2]" 1
407 1 21 LEU MD2 1 32 PHE QD . . 3.950 2.798 2.394 3.069 . 0 0 "[ . 1 . 2]" 1
408 1 21 LEU MD2 1 32 PHE QE . . 4.900 3.777 3.333 4.255 . 0 0 "[ . 1 . 2]" 1
409 1 21 LEU MD2 1 33 THR H . . 4.830 4.466 4.241 4.730 . 0 0 "[ . 1 . 2]" 1
410 1 21 LEU MD2 1 105 PHE QE . . 4.400 3.623 3.147 3.906 . 0 0 "[ . 1 . 2]" 1
411 1 21 LEU MD2 1 105 PHE HZ . . 4.410 3.295 2.815 3.660 . 0 0 "[ . 1 . 2]" 1
412 1 21 LEU HG 1 22 HIS H . . 5.280 4.789 4.611 4.951 . 0 0 "[ . 1 . 2]" 1
413 1 21 LEU HG 1 32 PHE HB3 . . 5.090 3.728 3.245 4.021 . 0 0 "[ . 1 . 2]" 1
414 1 22 HIS H 1 22 HIS HB2 . . 3.750 2.324 2.222 2.573 . 0 0 "[ . 1 . 2]" 1
415 1 22 HIS H 1 22 HIS QB . . 3.140 2.295 2.199 2.519 . 0 0 "[ . 1 . 2]" 1
416 1 22 HIS H 1 22 HIS HB3 . . 3.750 3.566 3.503 3.666 . 0 0 "[ . 1 . 2]" 1
417 1 22 HIS H 1 22 HIS HD2 . . 4.020 2.876 2.213 3.196 . 0 0 "[ . 1 . 2]" 1
418 1 22 HIS H 1 23 ARG H . . 3.030 2.723 2.526 2.874 . 0 0 "[ . 1 . 2]" 1
419 1 22 HIS H 1 107 VAL MG2 . . 5.500 4.539 4.049 5.216 . 0 0 "[ . 1 . 2]" 1
420 1 22 HIS HA 1 107 VAL H . . 5.500 5.288 4.992 5.493 . 0 0 "[ . 1 . 2]" 1
421 1 22 HIS HA 1 107 VAL HA . . 4.530 2.811 2.438 3.100 . 0 0 "[ . 1 . 2]" 1
422 1 22 HIS HA 1 107 VAL HB . . 5.410 4.976 4.556 5.408 . 0 0 "[ . 1 . 2]" 1
423 1 22 HIS HA 1 107 VAL MG1 . . 4.100 3.592 3.275 3.958 . 0 0 "[ . 1 . 2]" 1
424 1 22 HIS HA 1 107 VAL MG2 . . 3.580 2.336 1.974 2.956 . 0 0 "[ . 1 . 2]" 1
425 1 22 HIS QB 1 23 ARG H . . 3.740 3.587 3.002 3.744 0.004 13 0 "[ . 1 . 2]" 1
426 1 22 HIS QB 1 107 VAL HA . . 4.720 3.683 3.282 4.132 . 0 0 "[ . 1 . 2]" 1
427 1 22 HIS QB 1 108 THR H . . 4.550 4.166 3.631 4.551 0.001 17 0 "[ . 1 . 2]" 1
428 1 22 HIS HB2 1 23 ARG H . . 4.470 3.872 3.122 4.104 . 0 0 "[ . 1 . 2]" 1
429 1 22 HIS HB3 1 23 ARG H . . 4.470 4.266 3.861 4.476 0.006 7 0 "[ . 1 . 2]" 1
430 1 22 HIS HE1 1 105 PHE HA . . 5.090 3.989 3.065 4.876 . 0 0 "[ . 1 . 2]" 1
431 1 22 HIS HE1 1 105 PHE HB2 . . 4.570 2.603 2.017 3.257 . 0 0 "[ . 1 . 2]" 1
432 1 22 HIS HE1 1 105 PHE QB . . 3.820 2.541 1.992 3.153 . 0 0 "[ . 1 . 2]" 1
433 1 22 HIS HE1 1 105 PHE HB3 . . 4.570 3.632 2.962 4.211 . 0 0 "[ . 1 . 2]" 1
434 1 22 HIS HE1 1 106 THR H . . 5.090 3.355 2.010 4.775 . 0 0 "[ . 1 . 2]" 1
435 1 23 ARG H 1 23 ARG HB2 . . 3.410 2.927 2.257 3.314 . 0 0 "[ . 1 . 2]" 1
436 1 23 ARG H 1 23 ARG HB3 . . 3.410 3.171 2.867 3.551 0.141 9 0 "[ . 1 . 2]" 1
437 1 23 ARG H 1 23 ARG QG . . 4.300 4.158 3.438 4.319 0.019 11 0 "[ . 1 . 2]" 1
438 1 23 ARG H 1 24 ALA H . . 4.480 4.274 4.083 4.500 0.020 18 0 "[ . 1 . 2]" 1
439 1 23 ARG H 1 107 VAL MG1 . . 4.080 3.543 3.025 4.082 0.002 18 0 "[ . 1 . 2]" 1
440 1 23 ARG H 1 107 VAL MG2 . . 4.360 3.866 3.291 4.347 . 0 0 "[ . 1 . 2]" 1
441 1 23 ARG H 1 108 THR H . . 4.890 4.562 3.960 4.903 0.013 9 0 "[ . 1 . 2]" 1
442 1 23 ARG HA 1 23 ARG HD2 . . 5.000 3.674 2.457 4.627 . 0 0 "[ . 1 . 2]" 1
443 1 23 ARG HA 1 23 ARG QD . . 4.330 3.113 2.098 4.110 . 0 0 "[ . 1 . 2]" 1
444 1 23 ARG HA 1 23 ARG HD3 . . 5.000 3.664 2.121 4.647 . 0 0 "[ . 1 . 2]" 1
445 1 23 ARG HA 1 23 ARG QG . . 3.800 2.325 2.117 2.721 . 0 0 "[ . 1 . 2]" 1
446 1 23 ARG HA 1 24 ALA H . . 2.860 2.190 2.140 2.270 . 0 0 "[ . 1 . 2]" 1
447 1 23 ARG HA 1 24 ALA MB . . 4.580 3.865 3.785 3.965 . 0 0 "[ . 1 . 2]" 1
448 1 23 ARG HA 1 107 VAL HA . . 4.580 4.073 3.387 4.532 . 0 0 "[ . 1 . 2]" 1
449 1 23 ARG HA 1 107 VAL MG1 . . 4.100 3.019 2.278 3.614 . 0 0 "[ . 1 . 2]" 1
450 1 23 ARG HA 1 108 THR H . . 3.570 2.729 1.892 3.294 . 0 0 "[ . 1 . 2]" 1
451 1 23 ARG HA 1 108 THR HB . . 4.440 3.340 2.701 4.294 . 0 0 "[ . 1 . 2]" 1
452 1 23 ARG QB 1 23 ARG QD . . 3.150 2.348 2.018 2.601 . 0 0 "[ . 1 . 2]" 1
453 1 23 ARG QB 1 24 ALA H . . 3.900 3.501 2.960 3.784 . 0 0 "[ . 1 . 2]" 1
454 1 23 ARG HB2 1 24 ALA H . . 4.520 4.311 4.112 4.476 . 0 0 "[ . 1 . 2]" 1
455 1 23 ARG HB3 1 24 ALA H . . 4.520 3.726 3.024 4.140 . 0 0 "[ . 1 . 2]" 1
456 1 23 ARG QD 1 24 ALA H . . 4.560 3.874 2.323 4.535 . 0 0 "[ . 1 . 2]" 1
457 1 23 ARG QD 1 108 THR H . . 5.340 4.753 3.695 5.366 0.026 9 0 "[ . 1 . 2]" 1
458 1 23 ARG QG 1 24 ALA H . . 3.930 2.873 2.186 3.598 . 0 0 "[ . 1 . 2]" 1
459 1 23 ARG QG 1 108 THR HB . . 4.540 3.507 2.003 4.543 0.003 18 0 "[ . 1 . 2]" 1
460 1 24 ALA H 1 24 ALA MB . . 3.340 2.622 2.462 2.727 . 0 0 "[ . 1 . 2]" 1
461 1 24 ALA H 1 25 ARG H . . 4.580 4.419 4.399 4.457 . 0 0 "[ . 1 . 2]" 1
462 1 24 ALA H 1 25 ARG HA . . 5.270 4.737 4.689 4.836 . 0 0 "[ . 1 . 2]" 1
463 1 24 ALA H 1 107 VAL MG1 . . 3.910 2.983 2.637 3.361 . 0 0 "[ . 1 . 2]" 1
464 1 24 ALA H 1 107 VAL MG2 . . 5.330 5.205 4.955 5.327 . 0 0 "[ . 1 . 2]" 1
465 1 24 ALA H 1 108 THR HA . . 5.500 4.929 4.730 5.228 . 0 0 "[ . 1 . 2]" 1
466 1 24 ALA H 1 108 THR HB . . 5.080 4.152 3.521 5.088 0.008 8 0 "[ . 1 . 2]" 1
467 1 24 ALA H 1 109 VAL H . . 5.150 4.747 4.449 5.100 . 0 0 "[ . 1 . 2]" 1
468 1 24 ALA H 1 109 VAL HA . . 3.410 3.084 2.838 3.408 . 0 0 "[ . 1 . 2]" 1
469 1 24 ALA H 1 110 ARG H . . 4.360 4.036 3.576 4.361 0.001 5 0 "[ . 1 . 2]" 1
470 1 24 ALA HA 1 25 ARG H . . 3.110 2.426 2.398 2.438 . 0 0 "[ . 1 . 2]" 1
471 1 24 ALA HA 1 25 ARG QB . . 4.570 3.987 3.896 4.116 . 0 0 "[ . 1 . 2]" 1
472 1 24 ALA HA 1 109 VAL HA . . 4.880 4.530 4.393 4.720 . 0 0 "[ . 1 . 2]" 1
473 1 24 ALA MB 1 25 ARG H . . 3.070 2.479 2.387 2.534 . 0 0 "[ . 1 . 2]" 1
474 1 24 ALA MB 1 25 ARG HA . . 4.190 3.983 3.886 4.118 . 0 0 "[ . 1 . 2]" 1
475 1 24 ALA MB 1 28 GLN H . . 5.500 5.044 4.750 5.304 . 0 0 "[ . 1 . 2]" 1
476 1 24 ALA MB 1 30 ALA MB . . 3.090 2.873 2.678 3.092 0.002 2 0 "[ . 1 . 2]" 1
477 1 24 ALA MB 1 81 TYR QE . . 3.940 2.542 2.168 3.030 . 0 0 "[ . 1 . 2]" 1
478 1 24 ALA MB 1 81 TYR HH . . 4.340 2.587 1.963 3.369 . 0 0 "[ . 1 . 2]" 1
479 1 24 ALA MB 1 83 PRO HG2 . . 4.020 3.948 3.644 4.030 0.010 17 0 "[ . 1 . 2]" 1
480 1 24 ALA MB 1 83 PRO HG3 . . 3.580 2.711 2.400 2.879 . 0 0 "[ . 1 . 2]" 1
481 1 24 ALA MB 1 107 VAL MG1 . . 3.240 1.969 1.798 2.386 . 0 0 "[ . 1 . 2]" 1
482 1 24 ALA MB 1 109 VAL HA . . 3.700 2.829 2.605 3.090 . 0 0 "[ . 1 . 2]" 1
483 1 24 ALA MB 1 109 VAL MG1 . . 3.470 2.917 2.466 3.285 . 0 0 "[ . 1 . 2]" 1
484 1 24 ALA MB 1 109 VAL MG2 . . 3.010 2.199 1.918 2.588 . 0 0 "[ . 1 . 2]" 1
485 1 24 ALA MB 1 110 ARG H . . 4.250 4.143 3.996 4.250 . 0 0 "[ . 1 . 2]" 1
486 1 25 ARG H 1 25 ARG HB2 . . 3.610 2.936 2.408 3.291 . 0 0 "[ . 1 . 2]" 1
487 1 25 ARG H 1 25 ARG QB . . 3.060 2.464 2.372 2.532 . 0 0 "[ . 1 . 2]" 1
488 1 25 ARG H 1 25 ARG HB3 . . 3.610 2.791 2.446 3.615 0.005 2 0 "[ . 1 . 2]" 1
489 1 25 ARG H 1 25 ARG QG . . 4.090 3.960 3.408 4.133 0.043 5 0 "[ . 1 . 2]" 1
490 1 25 ARG H 1 26 GLU H . . 4.570 4.449 4.377 4.523 . 0 0 "[ . 1 . 2]" 1
491 1 25 ARG H 1 28 GLN H . . 4.820 4.597 4.291 4.820 . 0 0 "[ . 1 . 2]" 1
492 1 25 ARG H 1 28 GLN HB2 . . 4.680 3.618 3.177 4.368 . 0 0 "[ . 1 . 2]" 1
493 1 25 ARG H 1 28 GLN QB . . 4.110 2.551 2.313 2.938 . 0 0 "[ . 1 . 2]" 1
494 1 25 ARG H 1 28 GLN HB3 . . 4.680 2.610 2.376 2.986 . 0 0 "[ . 1 . 2]" 1
495 1 25 ARG H 1 28 GLN QG . . 4.800 3.475 2.506 4.155 . 0 0 "[ . 1 . 2]" 1
496 1 25 ARG H 1 30 ALA MB . . 4.460 4.103 3.646 4.452 . 0 0 "[ . 1 . 2]" 1
497 1 25 ARG H 1 83 PRO HG2 . . 5.410 4.545 4.319 4.949 . 0 0 "[ . 1 . 2]" 1
498 1 25 ARG H 1 109 VAL HA . . 4.920 4.369 4.078 4.683 . 0 0 "[ . 1 . 2]" 1
499 1 25 ARG H 1 109 VAL MG1 . . 4.350 3.796 3.235 4.195 . 0 0 "[ . 1 . 2]" 1
500 1 25 ARG H 1 110 ARG H . . 4.670 4.508 4.210 4.656 . 0 0 "[ . 1 . 2]" 1
501 1 25 ARG HA 1 25 ARG QG . . 3.360 2.490 2.272 2.920 . 0 0 "[ . 1 . 2]" 1
502 1 25 ARG HA 1 26 GLU H . . 2.980 2.242 2.166 2.404 . 0 0 "[ . 1 . 2]" 1
503 1 25 ARG HA 1 26 GLU HA . . 4.790 4.314 4.300 4.336 . 0 0 "[ . 1 . 2]" 1
504 1 25 ARG HA 1 26 GLU HB2 . . 4.840 4.768 4.614 4.853 0.013 16 0 "[ . 1 . 2]" 1
505 1 25 ARG HA 1 26 GLU QB . . 4.220 4.154 4.112 4.227 0.007 17 0 "[ . 1 . 2]" 1
506 1 25 ARG HA 1 26 GLU HB3 . . 4.840 4.579 4.449 4.753 . 0 0 "[ . 1 . 2]" 1
507 1 25 ARG HA 1 109 VAL HA . . 4.300 3.516 3.161 3.856 . 0 0 "[ . 1 . 2]" 1
508 1 25 ARG HA 1 109 VAL MG1 . . 3.820 3.076 2.734 3.420 . 0 0 "[ . 1 . 2]" 1
509 1 25 ARG HA 1 110 ARG H . . 3.540 2.300 1.898 2.643 . 0 0 "[ . 1 . 2]" 1
510 1 25 ARG HA 1 110 ARG QB . . 3.990 2.824 2.134 4.037 0.047 19 0 "[ . 1 . 2]" 1
511 1 25 ARG HA 1 110 ARG QG . . 3.840 3.503 2.109 3.843 0.003 10 0 "[ . 1 . 2]" 1
512 1 25 ARG QB 1 25 ARG QD . . 3.250 2.217 2.083 2.540 . 0 0 "[ . 1 . 2]" 1
513 1 25 ARG QB 1 26 GLU H . . 4.120 3.429 2.781 3.711 . 0 0 "[ . 1 . 2]" 1
514 1 25 ARG QB 1 28 GLN QB . . 3.620 2.054 1.873 2.325 . 0 0 "[ . 1 . 2]" 1
515 1 25 ARG QB 1 28 GLN QG . . 3.670 2.454 1.975 3.092 . 0 0 "[ . 1 . 2]" 1
516 1 25 ARG HB2 1 26 GLU H . . 4.710 4.066 3.825 4.203 . 0 0 "[ . 1 . 2]" 1
517 1 25 ARG HB2 1 28 GLN QG . . 4.480 3.476 2.209 4.456 . 0 0 "[ . 1 . 2]" 1
518 1 25 ARG HB3 1 26 GLU H . . 4.710 3.763 2.829 4.282 . 0 0 "[ . 1 . 2]" 1
519 1 25 ARG HB3 1 28 GLN QG . . 4.480 2.665 1.993 3.995 . 0 0 "[ . 1 . 2]" 1
520 1 25 ARG QD 1 26 GLU H . . 4.680 4.018 2.351 4.680 . 0 0 "[ . 1 . 2]" 1
521 1 25 ARG QD 1 112 LYS HA . . 3.700 3.262 2.375 3.700 0.000 12 0 "[ . 1 . 2]" 1
522 1 25 ARG QG 1 26 GLU H . . 3.480 2.471 1.896 3.384 . 0 0 "[ . 1 . 2]" 1
523 1 25 ARG QG 1 28 GLN HB2 . . 4.820 3.249 2.170 4.654 . 0 0 "[ . 1 . 2]" 1
524 1 25 ARG QG 1 28 GLN HB3 . . 4.820 4.171 3.533 4.791 . 0 0 "[ . 1 . 2]" 1
525 1 25 ARG QG 1 28 GLN QG . . 5.080 4.064 3.053 4.863 . 0 0 "[ . 1 . 2]" 1
526 1 25 ARG QG 1 112 LYS HA . . 3.880 3.329 2.690 3.874 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLU H 1 26 GLU HB2 . . 3.390 2.697 2.485 2.941 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU H 1 26 GLU QB . . 2.920 2.225 2.147 2.268 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLU H 1 26 GLU HB3 . . 3.390 2.383 2.206 2.590 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLU H 1 26 GLU QG . . 4.140 3.945 3.803 4.037 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLU H 1 27 LYS H . . 4.640 4.586 4.522 4.630 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLU H 1 28 GLN QB . . 5.320 4.237 3.996 4.390 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLU H 1 109 VAL HA . . 4.960 4.537 4.256 4.965 0.005 16 0 "[ . 1 . 2]" 1
534 1 26 GLU H 1 109 VAL MG1 . . 3.390 2.712 2.445 3.101 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLU H 1 110 ARG H . . 4.200 3.319 2.685 4.004 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLU H 1 111 ARG HA . . 4.110 3.685 3.121 3.979 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLU H 1 112 LYS H . . 4.680 4.059 2.914 4.568 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLU H 1 112 LYS QB . . 5.340 4.275 3.310 5.344 0.004 16 0 "[ . 1 . 2]" 1
539 1 26 GLU HA 1 26 GLU QG . . 3.630 2.806 2.523 3.089 . 0 0 "[ . 1 . 2]" 1
540 1 26 GLU HA 1 27 LYS H . . 2.840 2.187 2.145 2.245 . 0 0 "[ . 1 . 2]" 1
541 1 26 GLU HA 1 28 GLN H . . 4.470 3.780 3.547 3.966 . 0 0 "[ . 1 . 2]" 1
542 1 26 GLU HA 1 83 PRO HB2 . . 4.460 3.359 3.174 3.486 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLU HA 1 83 PRO HB3 . . 4.980 4.815 4.614 4.948 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLU HA 1 83 PRO HG2 . . 3.670 2.619 2.408 2.761 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLU HA 1 83 PRO HG3 . . 3.990 3.854 3.654 3.989 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLU HA 1 109 VAL MG1 . . 3.520 2.273 2.021 2.597 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLU QB 1 86 PRO HA . . 4.760 3.268 2.980 3.732 . 0 0 "[ . 1 . 2]" 1
548 1 26 GLU QB 1 86 PRO QB . . 3.820 2.744 2.466 3.119 . 0 0 "[ . 1 . 2]" 1
549 1 26 GLU QB 1 86 PRO QD . . 3.850 3.090 2.802 3.283 . 0 0 "[ . 1 . 2]" 1
550 1 26 GLU QB 1 86 PRO HG3 . . 4.890 3.975 3.741 4.242 . 0 0 "[ . 1 . 2]" 1
551 1 26 GLU QB 1 109 VAL MG1 . . 3.380 2.696 2.456 2.821 . 0 0 "[ . 1 . 2]" 1
552 1 26 GLU QB 1 111 ARG HA . . 3.320 2.289 1.988 2.495 . 0 0 "[ . 1 . 2]" 1
553 1 26 GLU QB 1 112 LYS H . . 3.750 2.177 1.891 2.750 . 0 0 "[ . 1 . 2]" 1
554 1 26 GLU HB2 1 27 LYS H . . 4.710 3.979 3.807 4.129 . 0 0 "[ . 1 . 2]" 1
555 1 26 GLU HB2 1 86 PRO QD . . 4.450 3.160 2.859 3.381 . 0 0 "[ . 1 . 2]" 1
556 1 26 GLU HB2 1 109 VAL MG1 . . 3.870 2.758 2.496 2.898 . 0 0 "[ . 1 . 2]" 1
557 1 26 GLU HB2 1 111 ARG HA . . 3.880 2.645 2.450 3.024 . 0 0 "[ . 1 . 2]" 1
558 1 26 GLU HB2 1 112 LYS H . . 4.430 3.365 2.768 4.203 . 0 0 "[ . 1 . 2]" 1
559 1 26 GLU HB3 1 27 LYS H . . 4.710 4.205 3.974 4.333 . 0 0 "[ . 1 . 2]" 1
560 1 26 GLU HB3 1 86 PRO QD . . 4.450 4.378 4.028 4.459 0.009 3 0 "[ . 1 . 2]" 1
561 1 26 GLU HB3 1 109 VAL MG1 . . 3.870 3.804 3.649 3.886 0.016 17 0 "[ . 1 . 2]" 1
562 1 26 GLU HB3 1 111 ARG HA . . 3.880 2.588 2.045 3.056 . 0 0 "[ . 1 . 2]" 1
563 1 26 GLU HB3 1 112 LYS H . . 4.430 2.211 1.898 2.788 . 0 0 "[ . 1 . 2]" 1
564 1 26 GLU QG 1 27 LYS H . . 3.720 2.611 2.123 2.957 . 0 0 "[ . 1 . 2]" 1
565 1 26 GLU QG 1 27 LYS HA . . 4.090 3.922 3.712 4.089 . 0 0 "[ . 1 . 2]" 1
566 1 26 GLU QG 1 27 LYS QG . . 3.330 2.359 1.916 2.757 . 0 0 "[ . 1 . 2]" 1
567 1 26 GLU QG 1 85 GLU HA . . 4.890 3.674 2.668 4.228 . 0 0 "[ . 1 . 2]" 1
568 1 26 GLU QG 1 86 PRO QD . . 4.430 3.127 1.991 3.759 . 0 0 "[ . 1 . 2]" 1
569 1 26 GLU QG 1 111 ARG HA . . 3.890 3.616 3.166 3.895 0.005 18 0 "[ . 1 . 2]" 1
570 1 26 GLU QG 1 112 LYS H . . 3.680 2.932 2.220 3.601 . 0 0 "[ . 1 . 2]" 1
571 1 26 GLU QG 1 112 LYS HB2 . . 4.420 3.196 1.983 4.360 . 0 0 "[ . 1 . 2]" 1
572 1 26 GLU QG 1 112 LYS QB . . 3.890 2.814 1.952 3.707 . 0 0 "[ . 1 . 2]" 1
573 1 26 GLU QG 1 112 LYS HB3 . . 4.420 3.507 2.333 4.421 0.001 16 0 "[ . 1 . 2]" 1
574 1 26 GLU QG 1 112 LYS QD . . 4.990 3.984 1.851 4.907 . 0 0 "[ . 1 . 2]" 1
575 1 27 LYS H 1 27 LYS QB . . 3.540 3.186 3.051 3.333 . 0 0 "[ . 1 . 2]" 1
576 1 27 LYS H 1 27 LYS HG2 . . 3.870 3.361 2.306 3.861 . 0 0 "[ . 1 . 2]" 1
577 1 27 LYS H 1 27 LYS QG . . 3.330 2.806 2.289 3.075 . 0 0 "[ . 1 . 2]" 1
578 1 27 LYS H 1 27 LYS HG3 . . 3.870 3.244 2.748 3.911 0.041 11 0 "[ . 1 . 2]" 1
579 1 27 LYS H 1 28 GLN H . . 3.250 2.862 2.624 3.166 . 0 0 "[ . 1 . 2]" 1
580 1 27 LYS H 1 82 THR MG . . 4.140 3.742 3.529 4.053 . 0 0 "[ . 1 . 2]" 1
581 1 27 LYS H 1 83 PRO HB2 . . 4.370 3.569 3.342 3.797 . 0 0 "[ . 1 . 2]" 1
582 1 27 LYS H 1 83 PRO HG2 . . 4.750 2.632 2.249 2.869 . 0 0 "[ . 1 . 2]" 1
583 1 27 LYS H 1 83 PRO HG3 . . 4.620 4.381 3.988 4.608 . 0 0 "[ . 1 . 2]" 1
584 1 27 LYS H 1 84 LYS H . . 5.170 4.787 4.450 5.036 . 0 0 "[ . 1 . 2]" 1
585 1 27 LYS H 1 84 LYS HA . . 3.930 3.682 3.239 3.931 0.001 13 0 "[ . 1 . 2]" 1
586 1 27 LYS H 1 109 VAL MG1 . . 4.200 3.750 3.434 4.156 . 0 0 "[ . 1 . 2]" 1
587 1 27 LYS HA 1 27 LYS HD2 . . 4.930 4.305 2.455 4.786 . 0 0 "[ . 1 . 2]" 1
588 1 27 LYS HA 1 27 LYS QD . . 4.130 3.769 2.419 4.132 0.002 20 0 "[ . 1 . 2]" 1
589 1 27 LYS HA 1 27 LYS HD3 . . 4.930 4.298 3.636 4.765 . 0 0 "[ . 1 . 2]" 1
590 1 27 LYS HA 1 27 LYS HE2 . . 5.090 4.217 2.201 5.086 . 0 0 "[ . 1 . 2]" 1
591 1 27 LYS HA 1 27 LYS HE3 . . 5.090 4.489 2.022 5.088 . 0 0 "[ . 1 . 2]" 1
592 1 27 LYS HA 1 27 LYS HG2 . . 3.820 2.415 2.275 2.782 . 0 0 "[ . 1 . 2]" 1
593 1 27 LYS HA 1 27 LYS QG . . 3.320 2.336 2.218 2.718 . 0 0 "[ . 1 . 2]" 1
594 1 27 LYS HA 1 27 LYS HG3 . . 3.820 3.164 2.737 3.815 . 0 0 "[ . 1 . 2]" 1
595 1 27 LYS HA 1 28 GLN H . . 3.260 2.757 2.618 2.925 . 0 0 "[ . 1 . 2]" 1
596 1 27 LYS HA 1 82 THR MG . . 3.370 2.388 2.073 2.676 . 0 0 "[ . 1 . 2]" 1
597 1 27 LYS HA 1 84 LYS HA . . 3.820 3.688 3.131 3.823 0.003 17 0 "[ . 1 . 2]" 1
598 1 27 LYS QB 1 27 LYS QD . . 3.040 2.238 2.049 2.460 . 0 0 "[ . 1 . 2]" 1
599 1 27 LYS QB 1 27 LYS QE . . 3.540 2.474 1.886 3.509 . 0 0 "[ . 1 . 2]" 1
600 1 27 LYS QB 1 28 GLN H . . 4.310 3.864 3.779 3.906 . 0 0 "[ . 1 . 2]" 1
601 1 27 LYS HB2 1 27 LYS HE2 . . 4.720 3.772 2.317 4.709 . 0 0 "[ . 1 . 2]" 1
602 1 27 LYS HB2 1 27 LYS HE3 . . 4.720 4.198 2.114 4.688 . 0 0 "[ . 1 . 2]" 1
603 1 27 LYS HB3 1 27 LYS HE2 . . 4.720 2.895 2.063 4.160 . 0 0 "[ . 1 . 2]" 1
604 1 27 LYS HB3 1 27 LYS HE3 . . 4.720 3.582 2.175 4.549 . 0 0 "[ . 1 . 2]" 1
605 1 27 LYS QE 1 27 LYS QG . . 2.960 2.226 2.117 2.452 . 0 0 "[ . 1 . 2]" 1
606 1 27 LYS HE2 1 27 LYS HG2 . . 4.060 2.891 2.346 3.717 . 0 0 "[ . 1 . 2]" 1
607 1 27 LYS HE2 1 27 LYS HG3 . . 4.060 3.327 2.293 3.910 . 0 0 "[ . 1 . 2]" 1
608 1 27 LYS HE3 1 27 LYS HG2 . . 4.060 2.911 2.189 4.213 0.153 18 0 "[ . 1 . 2]" 1
609 1 27 LYS HE3 1 27 LYS HG3 . . 4.060 3.315 2.525 3.790 . 0 0 "[ . 1 . 2]" 1
610 1 27 LYS QG 1 28 GLN H . . 5.340 4.569 4.514 4.636 . 0 0 "[ . 1 . 2]" 1
611 1 27 LYS HG2 1 84 LYS HA . . 4.180 3.086 2.521 3.624 . 0 0 "[ . 1 . 2]" 1
612 1 27 LYS HG3 1 84 LYS HA . . 4.180 3.600 3.007 4.182 0.002 11 0 "[ . 1 . 2]" 1
613 1 28 GLN H 1 28 GLN HB2 . . 3.320 2.984 2.624 3.246 . 0 0 "[ . 1 . 2]" 1
614 1 28 GLN H 1 28 GLN HB3 . . 3.320 2.700 2.260 2.883 . 0 0 "[ . 1 . 2]" 1
615 1 28 GLN H 1 28 GLN QG . . 4.200 4.116 3.687 4.233 0.033 11 0 "[ . 1 . 2]" 1
616 1 28 GLN H 1 29 THR H . . 4.630 4.470 4.435 4.555 . 0 0 "[ . 1 . 2]" 1
617 1 28 GLN H 1 82 THR HA . . 4.650 3.759 3.538 4.014 . 0 0 "[ . 1 . 2]" 1
618 1 28 GLN H 1 82 THR MG . . 3.700 2.668 2.299 3.023 . 0 0 "[ . 1 . 2]" 1
619 1 28 GLN H 1 83 PRO HD2 . . 4.260 2.418 2.203 2.708 . 0 0 "[ . 1 . 2]" 1
620 1 28 GLN H 1 83 PRO HD3 . . 4.450 4.118 3.888 4.430 . 0 0 "[ . 1 . 2]" 1
621 1 28 GLN H 1 83 PRO HG2 . . 3.400 2.688 2.445 2.917 . 0 0 "[ . 1 . 2]" 1
622 1 28 GLN H 1 83 PRO HG3 . . 4.490 3.974 3.588 4.281 . 0 0 "[ . 1 . 2]" 1
623 1 28 GLN HA 1 28 GLN QG . . 3.660 2.648 2.229 3.236 . 0 0 "[ . 1 . 2]" 1
624 1 28 GLN HA 1 29 THR H . . 2.740 2.264 2.211 2.343 . 0 0 "[ . 1 . 2]" 1
625 1 28 GLN HA 1 29 THR HA . . 4.910 4.353 4.342 4.371 . 0 0 "[ . 1 . 2]" 1
626 1 28 GLN HA 1 29 THR HB . . 5.320 4.790 4.670 4.854 . 0 0 "[ . 1 . 2]" 1
627 1 28 GLN HA 1 82 THR MG . . 4.270 3.355 3.055 3.640 . 0 0 "[ . 1 . 2]" 1
628 1 28 GLN QB 1 29 THR H . . 3.630 3.465 3.326 3.585 . 0 0 "[ . 1 . 2]" 1
629 1 28 GLN HB2 1 29 THR H . . 4.160 4.028 3.595 4.158 . 0 0 "[ . 1 . 2]" 1
630 1 28 GLN HB3 1 29 THR H . . 4.160 3.801 3.502 4.119 . 0 0 "[ . 1 . 2]" 1
631 1 28 GLN QG 1 29 THR H . . 3.780 2.320 1.885 2.917 . 0 0 "[ . 1 . 2]" 1
632 1 29 THR H 1 29 THR HB . . 3.000 2.606 2.529 2.646 . 0 0 "[ . 1 . 2]" 1
633 1 29 THR H 1 29 THR MG . . 3.940 3.814 3.792 3.843 . 0 0 "[ . 1 . 2]" 1
634 1 29 THR H 1 30 ALA H . . 4.430 4.217 4.106 4.318 . 0 0 "[ . 1 . 2]" 1
635 1 29 THR H 1 82 THR MG . . 4.040 3.790 3.430 4.041 0.001 10 0 "[ . 1 . 2]" 1
636 1 29 THR HA 1 29 THR MG . . 3.310 2.276 2.191 2.412 . 0 0 "[ . 1 . 2]" 1
637 1 29 THR HA 1 30 ALA H . . 2.870 2.183 2.153 2.213 . 0 0 "[ . 1 . 2]" 1
638 1 29 THR HA 1 30 ALA HA . . 5.290 4.418 4.398 4.435 . 0 0 "[ . 1 . 2]" 1
639 1 29 THR HA 1 81 TYR H . . 4.460 4.301 4.132 4.429 . 0 0 "[ . 1 . 2]" 1
640 1 29 THR HA 1 82 THR HA . . 3.640 3.256 3.073 3.416 . 0 0 "[ . 1 . 2]" 1
641 1 29 THR HA 1 82 THR HB . . 4.950 4.580 4.260 4.951 0.001 5 0 "[ . 1 . 2]" 1
642 1 29 THR HA 1 82 THR MG . . 3.560 3.200 2.872 3.453 . 0 0 "[ . 1 . 2]" 1
643 1 29 THR HA 1 83 PRO HD2 . . 4.470 4.338 4.124 4.471 0.001 8 0 "[ . 1 . 2]" 1
644 1 29 THR HB 1 30 ALA H . . 4.580 4.372 4.301 4.419 . 0 0 "[ . 1 . 2]" 1
645 1 29 THR HB 1 30 ALA HA . . 5.500 4.808 4.715 4.917 . 0 0 "[ . 1 . 2]" 1
646 1 29 THR MG 1 30 ALA H . . 3.370 3.115 2.866 3.333 . 0 0 "[ . 1 . 2]" 1
647 1 29 THR MG 1 30 ALA HA . . 5.240 4.063 3.880 4.246 . 0 0 "[ . 1 . 2]" 1
648 1 29 THR MG 1 31 SER QB . . 4.200 3.398 3.171 4.116 . 0 0 "[ . 1 . 2]" 1
649 1 29 THR MG 1 80 SER HA . . 4.530 4.153 3.954 4.414 . 0 0 "[ . 1 . 2]" 1
650 1 29 THR MG 1 80 SER QB . . 3.500 2.840 2.408 3.469 . 0 0 "[ . 1 . 2]" 1
651 1 29 THR MG 1 81 TYR H . . 3.790 3.707 3.563 3.792 0.002 11 0 "[ . 1 . 2]" 1
652 1 30 ALA H 1 30 ALA MB . . 3.180 2.306 2.163 2.469 . 0 0 "[ . 1 . 2]" 1
653 1 30 ALA H 1 31 SER H . . 4.600 4.372 4.251 4.472 . 0 0 "[ . 1 . 2]" 1
654 1 30 ALA H 1 31 SER HA . . 5.500 5.101 4.948 5.268 . 0 0 "[ . 1 . 2]" 1
655 1 30 ALA H 1 80 SER HA . . 4.810 4.727 4.607 4.821 0.011 17 0 "[ . 1 . 2]" 1
656 1 30 ALA H 1 81 TYR H . . 3.630 3.133 3.001 3.312 . 0 0 "[ . 1 . 2]" 1
657 1 30 ALA H 1 81 TYR QD . . 5.010 4.190 3.982 4.364 . 0 0 "[ . 1 . 2]" 1
658 1 30 ALA H 1 82 THR HA . . 3.860 3.486 3.263 3.649 . 0 0 "[ . 1 . 2]" 1
659 1 30 ALA H 1 83 PRO HD2 . . 4.490 4.283 4.069 4.445 . 0 0 "[ . 1 . 2]" 1
660 1 30 ALA H 1 83 PRO HD3 . . 5.020 4.372 4.133 4.522 . 0 0 "[ . 1 . 2]" 1
661 1 30 ALA HA 1 31 SER H . . 2.650 2.144 2.140 2.153 . 0 0 "[ . 1 . 2]" 1
662 1 30 ALA MB 1 31 SER H . . 3.380 3.235 3.104 3.322 . 0 0 "[ . 1 . 2]" 1
663 1 30 ALA MB 1 31 SER HA . . 4.920 4.057 3.988 4.130 . 0 0 "[ . 1 . 2]" 1
664 1 30 ALA MB 1 32 PHE QE . . 4.980 4.248 3.528 4.775 . 0 0 "[ . 1 . 2]" 1
665 1 30 ALA MB 1 81 TYR H . . 3.920 3.589 3.227 3.792 . 0 0 "[ . 1 . 2]" 1
666 1 30 ALA MB 1 81 TYR QD . . 3.650 3.395 3.020 3.607 . 0 0 "[ . 1 . 2]" 1
667 1 30 ALA MB 1 81 TYR QE . . 3.550 2.624 2.120 2.931 . 0 0 "[ . 1 . 2]" 1
668 1 30 ALA MB 1 81 TYR HH . . 4.140 3.146 2.218 3.684 . 0 0 "[ . 1 . 2]" 1
669 1 30 ALA MB 1 83 PRO HD2 . . 4.490 4.347 4.191 4.470 . 0 0 "[ . 1 . 2]" 1
670 1 30 ALA MB 1 83 PRO HD3 . . 4.200 3.965 3.787 4.175 . 0 0 "[ . 1 . 2]" 1
671 1 31 SER H 1 31 SER QB . . 3.470 2.968 2.702 3.155 . 0 0 "[ . 1 . 2]" 1
672 1 31 SER H 1 32 PHE H . . 4.600 4.438 4.303 4.482 . 0 0 "[ . 1 . 2]" 1
673 1 31 SER HA 1 32 PHE H . . 2.920 2.267 2.160 2.364 . 0 0 "[ . 1 . 2]" 1
674 1 31 SER HA 1 32 PHE QD . . 4.630 2.928 2.707 3.410 . 0 0 "[ . 1 . 2]" 1
675 1 31 SER HA 1 79 ILE H . . 4.910 4.777 4.642 4.914 0.004 11 0 "[ . 1 . 2]" 1
676 1 31 SER HA 1 79 ILE MG . . 5.080 4.263 3.932 4.529 . 0 0 "[ . 1 . 2]" 1
677 1 31 SER HA 1 81 TYR H . . 4.020 3.711 3.426 3.939 . 0 0 "[ . 1 . 2]" 1
678 1 31 SER QB 1 32 PHE H . . 3.190 2.762 2.499 3.181 . 0 0 "[ . 1 . 2]" 1
679 1 31 SER QB 1 32 PHE QD . . 5.270 4.459 4.247 4.795 . 0 0 "[ . 1 . 2]" 1
680 1 31 SER QB 1 78 TYR QD . . 5.490 4.023 3.600 4.276 . 0 0 "[ . 1 . 2]" 1
681 1 31 SER QB 1 78 TYR QE . . 3.720 3.326 2.720 3.720 . 2 0 "[ . 1 . 2]" 1
682 1 31 SER QB 1 79 ILE H . . 4.740 4.170 3.906 4.523 . 0 0 "[ . 1 . 2]" 1
683 1 31 SER QB 1 80 SER HA . . 3.900 2.909 2.411 3.660 . 0 0 "[ . 1 . 2]" 1
684 1 32 PHE H 1 32 PHE HB3 . . 3.620 3.467 3.283 3.554 . 0 0 "[ . 1 . 2]" 1
685 1 32 PHE H 1 32 PHE QD . . 3.840 2.709 2.383 2.972 . 0 0 "[ . 1 . 2]" 1
686 1 32 PHE H 1 33 THR H . . 4.610 4.417 4.401 4.456 . 0 0 "[ . 1 . 2]" 1
687 1 32 PHE H 1 79 ILE H . . 3.700 3.286 3.084 3.557 . 0 0 "[ . 1 . 2]" 1
688 1 32 PHE H 1 79 ILE HA . . 5.280 5.033 4.894 5.167 . 0 0 "[ . 1 . 2]" 1
689 1 32 PHE H 1 79 ILE HB . . 3.810 3.443 3.200 3.668 . 0 0 "[ . 1 . 2]" 1
690 1 32 PHE H 1 79 ILE MD . . 5.110 4.864 4.649 5.093 . 0 0 "[ . 1 . 2]" 1
691 1 32 PHE H 1 80 SER HA . . 4.100 3.973 3.745 4.090 . 0 0 "[ . 1 . 2]" 1
692 1 32 PHE HA 1 32 PHE QD . . 4.140 3.640 3.561 3.696 . 0 0 "[ . 1 . 2]" 1
693 1 32 PHE HA 1 33 THR H . . 3.160 2.445 2.359 2.490 . 0 0 "[ . 1 . 2]" 1
694 1 32 PHE HA 1 33 THR HB . . 4.700 4.635 4.487 4.704 0.004 7 0 "[ . 1 . 2]" 1
695 1 32 PHE HB2 1 33 THR H . . 3.300 2.341 2.239 2.537 . 0 0 "[ . 1 . 2]" 1
696 1 32 PHE HB3 1 33 THR H . . 3.890 3.564 3.474 3.713 . 0 0 "[ . 1 . 2]" 1
697 1 32 PHE QD 1 33 THR H . . 3.900 3.712 3.488 3.903 0.003 9 0 "[ . 1 . 2]" 1
698 1 32 PHE QD 1 34 LEU H . . 4.750 4.573 4.337 4.750 . 0 0 "[ . 1 . 2]" 1
699 1 32 PHE QD 1 34 LEU HB2 . . 3.850 3.714 3.503 3.844 . 0 0 "[ . 1 . 2]" 1
700 1 32 PHE QD 1 79 ILE HB . . 4.660 3.715 3.574 3.829 . 0 0 "[ . 1 . 2]" 1
701 1 32 PHE QD 1 79 ILE MD . . 4.080 3.481 3.197 3.710 . 0 0 "[ . 1 . 2]" 1
702 1 32 PHE QD 1 79 ILE MG . . 4.210 4.043 3.812 4.208 . 0 0 "[ . 1 . 2]" 1
703 1 32 PHE QD 1 81 TYR QE . . 3.830 3.299 2.964 3.762 . 0 0 "[ . 1 . 2]" 1
704 1 32 PHE QD 1 93 VAL MG2 . . 4.900 4.755 4.493 4.904 0.004 3 0 "[ . 1 . 2]" 1
705 1 32 PHE QE 1 53 VAL MG1 . . 4.240 3.974 3.653 4.155 . 0 0 "[ . 1 . 2]" 1
706 1 32 PHE QE 1 79 ILE HB . . 3.790 3.147 2.895 3.333 . 0 0 "[ . 1 . 2]" 1
707 1 32 PHE QE 1 79 ILE MD . . 3.470 2.224 1.871 2.597 . 0 0 "[ . 1 . 2]" 1
708 1 32 PHE QE 1 79 ILE MG . . 3.790 2.693 2.268 3.039 . 0 0 "[ . 1 . 2]" 1
709 1 32 PHE QE 1 81 TYR QD . . 4.180 2.150 1.999 2.387 . 0 0 "[ . 1 . 2]" 1
710 1 32 PHE QE 1 81 TYR QE . . 3.460 2.482 2.047 3.075 . 0 0 "[ . 1 . 2]" 1
711 1 32 PHE QE 1 91 VAL MG1 . . 3.900 3.539 3.343 3.749 . 0 0 "[ . 1 . 2]" 1
712 1 32 PHE QE 1 93 VAL MG1 . . 4.450 3.640 3.156 4.019 . 0 0 "[ . 1 . 2]" 1
713 1 32 PHE QE 1 93 VAL MG2 . . 3.400 2.937 2.563 3.161 . 0 0 "[ . 1 . 2]" 1
714 1 32 PHE QE 1 105 PHE HZ . . 4.220 4.027 3.559 4.202 . 0 0 "[ . 1 . 2]" 1
715 1 32 PHE HZ 1 53 VAL MG1 . . 3.930 3.089 2.659 3.364 . 0 0 "[ . 1 . 2]" 1
716 1 32 PHE HZ 1 53 VAL MG2 . . 4.070 3.649 3.196 4.052 . 0 0 "[ . 1 . 2]" 1
717 1 32 PHE HZ 1 79 ILE MD . . 4.260 2.845 2.157 3.496 . 0 0 "[ . 1 . 2]" 1
718 1 32 PHE HZ 1 79 ILE QG . . 5.340 4.454 3.999 4.975 . 0 0 "[ . 1 . 2]" 1
719 1 32 PHE HZ 1 79 ILE MG . . 3.890 2.379 2.005 2.663 . 0 0 "[ . 1 . 2]" 1
720 1 32 PHE HZ 1 91 VAL MG1 . . 3.560 2.924 2.686 3.218 . 0 0 "[ . 1 . 2]" 1
721 1 32 PHE HZ 1 93 VAL MG2 . . 3.430 3.263 2.938 3.434 0.004 3 0 "[ . 1 . 2]" 1
722 1 32 PHE HZ 1 105 PHE HZ . . 4.630 4.008 3.344 4.370 . 0 0 "[ . 1 . 2]" 1
723 1 33 THR H 1 33 THR HB . . 3.210 2.507 2.411 2.594 . 0 0 "[ . 1 . 2]" 1
724 1 33 THR H 1 33 THR MG . . 4.220 3.789 3.718 3.837 . 0 0 "[ . 1 . 2]" 1
725 1 33 THR H 1 34 LEU H . . 4.670 4.440 4.361 4.505 . 0 0 "[ . 1 . 2]" 1
726 1 33 THR HA 1 33 THR MG . . 3.400 2.398 2.321 2.480 . 0 0 "[ . 1 . 2]" 1
727 1 33 THR HA 1 34 LEU H . . 3.070 2.166 2.144 2.192 . 0 0 "[ . 1 . 2]" 1
728 1 33 THR HA 1 34 LEU HB3 . . 5.500 4.391 4.328 4.442 . 0 0 "[ . 1 . 2]" 1
729 1 33 THR HA 1 77 TYR H . . 4.770 4.181 3.921 4.598 . 0 0 "[ . 1 . 2]" 1
730 1 33 THR HA 1 78 TYR HA . . 3.770 3.429 3.185 3.638 . 0 0 "[ . 1 . 2]" 1
731 1 33 THR HA 1 78 TYR QD . . 4.020 3.655 3.303 3.974 . 0 0 "[ . 1 . 2]" 1
732 1 33 THR HA 1 79 ILE H . . 4.140 3.926 3.788 4.054 . 0 0 "[ . 1 . 2]" 1
733 1 33 THR HA 1 79 ILE MD . . 5.020 4.852 4.667 4.995 . 0 0 "[ . 1 . 2]" 1
734 1 33 THR HB 1 34 LEU H . . 4.660 4.198 4.060 4.356 . 0 0 "[ . 1 . 2]" 1
735 1 33 THR HB 1 35 LEU MD1 . . 5.140 4.885 4.592 5.127 . 0 0 "[ . 1 . 2]" 1
736 1 33 THR MG 1 34 LEU H . . 3.410 2.315 2.108 2.603 . 0 0 "[ . 1 . 2]" 1
737 1 33 THR MG 1 35 LEU H . . 4.180 3.758 3.577 4.020 . 0 0 "[ . 1 . 2]" 1
738 1 33 THR MG 1 35 LEU MD1 . . 3.970 3.811 3.529 3.971 0.001 7 0 "[ . 1 . 2]" 1
739 1 33 THR MG 1 35 LEU MD2 . . 3.720 2.404 2.023 3.032 . 0 0 "[ . 1 . 2]" 1
740 1 33 THR MG 1 76 THR HA . . 4.280 3.709 3.261 3.976 . 0 0 "[ . 1 . 2]" 1
741 1 33 THR MG 1 76 THR HB . . 3.360 2.093 1.836 2.606 . 0 0 "[ . 1 . 2]" 1
742 1 33 THR MG 1 76 THR MG . . 3.400 2.404 1.949 2.807 . 0 0 "[ . 1 . 2]" 1
743 1 33 THR MG 1 77 TYR H . . 3.750 3.081 2.888 3.435 . 0 0 "[ . 1 . 2]" 1
744 1 33 THR MG 1 77 TYR QD . . 5.500 5.362 5.195 5.503 0.003 3 0 "[ . 1 . 2]" 1
745 1 34 LEU H 1 34 LEU HB2 . . 3.930 3.055 2.928 3.207 . 0 0 "[ . 1 . 2]" 1
746 1 34 LEU H 1 34 LEU HB3 . . 3.720 2.381 2.298 2.440 . 0 0 "[ . 1 . 2]" 1
747 1 34 LEU H 1 34 LEU MD1 . . 4.430 4.323 4.260 4.413 . 0 0 "[ . 1 . 2]" 1
748 1 34 LEU H 1 34 LEU MD2 . . 4.440 4.261 4.138 4.361 . 0 0 "[ . 1 . 2]" 1
749 1 34 LEU H 1 34 LEU HG . . 4.710 4.268 4.169 4.329 . 0 0 "[ . 1 . 2]" 1
750 1 34 LEU H 1 35 LEU H . . 4.510 4.247 4.170 4.418 . 0 0 "[ . 1 . 2]" 1
751 1 34 LEU H 1 76 THR HA . . 5.130 4.410 4.021 4.673 . 0 0 "[ . 1 . 2]" 1
752 1 34 LEU H 1 76 THR HB . . 4.950 3.670 3.180 4.377 . 0 0 "[ . 1 . 2]" 1
753 1 34 LEU H 1 77 TYR H . . 3.820 2.633 2.394 3.001 . 0 0 "[ . 1 . 2]" 1
754 1 34 LEU H 1 77 TYR HA . . 5.020 4.812 4.678 4.976 . 0 0 "[ . 1 . 2]" 1
755 1 34 LEU H 1 77 TYR HB2 . . 4.440 3.391 3.227 3.543 . 0 0 "[ . 1 . 2]" 1
756 1 34 LEU H 1 77 TYR HB3 . . 4.710 4.499 4.241 4.627 . 0 0 "[ . 1 . 2]" 1
757 1 34 LEU H 1 77 TYR QD . . 5.330 4.798 4.557 5.010 . 0 0 "[ . 1 . 2]" 1
758 1 34 LEU H 1 78 TYR HA . . 5.040 4.292 4.073 4.483 . 0 0 "[ . 1 . 2]" 1
759 1 34 LEU H 1 78 TYR QD . . 5.500 5.197 4.876 5.480 . 0 0 "[ . 1 . 2]" 1
760 1 34 LEU H 1 79 ILE MD . . 4.200 4.083 3.945 4.193 . 0 0 "[ . 1 . 2]" 1
761 1 34 LEU HA 1 34 LEU MD1 . . 3.400 2.187 1.981 2.553 . 0 0 "[ . 1 . 2]" 1
762 1 34 LEU HA 1 34 LEU MD2 . . 4.590 3.955 3.898 3.999 . 0 0 "[ . 1 . 2]" 1
763 1 34 LEU HA 1 34 LEU HG . . 4.220 3.246 3.140 3.367 . 0 0 "[ . 1 . 2]" 1
764 1 34 LEU HA 1 35 LEU H . . 2.990 2.153 2.140 2.167 . 0 0 "[ . 1 . 2]" 1
765 1 34 LEU HA 1 79 ILE MD . . 5.270 4.604 4.426 4.740 . 0 0 "[ . 1 . 2]" 1
766 1 34 LEU HB2 1 34 LEU MD1 . . 3.610 2.289 2.104 2.386 . 0 0 "[ . 1 . 2]" 1
767 1 34 LEU HB2 1 34 LEU MD2 . . 3.610 2.438 2.287 2.610 . 0 0 "[ . 1 . 2]" 1
768 1 34 LEU HB2 1 35 LEU H . . 4.940 4.301 4.166 4.375 . 0 0 "[ . 1 . 2]" 1
769 1 34 LEU HB2 1 77 TYR HB2 . . 4.330 3.731 3.542 3.957 . 0 0 "[ . 1 . 2]" 1
770 1 34 LEU HB2 1 77 TYR HB3 . . 5.150 4.948 4.723 5.093 . 0 0 "[ . 1 . 2]" 1
771 1 34 LEU HB2 1 77 TYR QD . . 5.500 5.100 4.830 5.439 . 0 0 "[ . 1 . 2]" 1
772 1 34 LEU HB2 1 79 ILE MD . . 3.380 2.670 2.517 2.875 . 0 0 "[ . 1 . 2]" 1
773 1 34 LEU HB3 1 34 LEU MD2 . . 3.670 2.231 2.056 2.357 . 0 0 "[ . 1 . 2]" 1
774 1 34 LEU HB3 1 35 LEU H . . 4.490 4.452 4.362 4.488 . 0 0 "[ . 1 . 2]" 1
775 1 34 LEU HB3 1 77 TYR H . . 4.500 3.010 2.862 3.175 . 0 0 "[ . 1 . 2]" 1
776 1 34 LEU HB3 1 77 TYR HB2 . . 4.210 2.125 2.007 2.312 . 0 0 "[ . 1 . 2]" 1
777 1 34 LEU HB3 1 77 TYR HB3 . . 4.490 3.621 3.436 3.819 . 0 0 "[ . 1 . 2]" 1
778 1 34 LEU HB3 1 77 TYR QD . . 4.470 3.563 3.269 3.910 . 0 0 "[ . 1 . 2]" 1
779 1 34 LEU HB3 1 79 ILE MD . . 3.760 3.102 2.673 3.303 . 0 0 "[ . 1 . 2]" 1
780 1 34 LEU MD1 1 35 LEU H . . 3.340 2.994 2.764 3.239 . 0 0 "[ . 1 . 2]" 1
781 1 34 LEU MD1 1 36 CYS HA . . 4.410 4.308 4.007 4.406 . 0 0 "[ . 1 . 2]" 1
782 1 34 LEU MD1 1 77 TYR H . . 5.500 5.212 4.990 5.477 . 0 0 "[ . 1 . 2]" 1
783 1 34 LEU MD2 1 51 VAL HA . . 5.020 4.098 3.715 4.345 . 0 0 "[ . 1 . 2]" 1
784 1 34 LEU MD2 1 51 VAL MG2 . . 3.330 2.061 1.791 2.481 . 0 0 "[ . 1 . 2]" 1
785 1 34 LEU MD2 1 77 TYR HB2 . . 4.170 2.690 2.457 2.971 . 0 0 "[ . 1 . 2]" 1
786 1 34 LEU MD2 1 77 TYR HB3 . . 4.750 3.704 3.401 3.953 . 0 0 "[ . 1 . 2]" 1
787 1 34 LEU MD2 1 77 TYR QD . . 4.150 3.080 2.522 3.503 . 0 0 "[ . 1 . 2]" 1
788 1 34 LEU MD2 1 79 ILE MD . . 3.180 2.643 2.267 2.911 . 0 0 "[ . 1 . 2]" 1
789 1 34 LEU HG 1 35 LEU H . . 3.840 3.656 3.330 3.832 . 0 0 "[ . 1 . 2]" 1
790 1 34 LEU HG 1 77 TYR H . . 4.690 4.233 3.884 4.621 . 0 0 "[ . 1 . 2]" 1
791 1 34 LEU HG 1 77 TYR HB2 . . 4.960 3.809 3.325 4.124 . 0 0 "[ . 1 . 2]" 1
792 1 35 LEU H 1 35 LEU QB . . 3.290 2.461 2.260 2.539 . 0 0 "[ . 1 . 2]" 1
793 1 35 LEU H 1 35 LEU MD1 . . 3.930 3.426 3.212 3.646 . 0 0 "[ . 1 . 2]" 1
794 1 35 LEU H 1 35 LEU MD2 . . 4.150 3.645 3.246 3.881 . 0 0 "[ . 1 . 2]" 1
795 1 35 LEU H 1 35 LEU HG . . 4.180 2.370 2.204 2.780 . 0 0 "[ . 1 . 2]" 1
796 1 35 LEU H 1 36 CYS H . . 4.960 4.579 4.487 4.608 . 0 0 "[ . 1 . 2]" 1
797 1 35 LEU HA 1 35 LEU MD1 . . 4.130 3.935 3.864 3.973 . 0 0 "[ . 1 . 2]" 1
798 1 35 LEU HA 1 35 LEU MD2 . . 3.810 2.271 1.989 2.503 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU HA 1 36 CYS H . . 3.080 2.235 2.145 2.352 . 0 0 "[ . 1 . 2]" 1
800 1 35 LEU HA 1 76 THR HA . . 4.010 3.115 2.706 3.416 . 0 0 "[ . 1 . 2]" 1
801 1 35 LEU HA 1 76 THR MG . . 3.640 2.465 1.919 2.778 . 0 0 "[ . 1 . 2]" 1
802 1 35 LEU HA 1 77 TYR H . . 4.670 4.433 4.175 4.611 . 0 0 "[ . 1 . 2]" 1
803 1 35 LEU QB 1 36 CYS H . . 4.000 2.831 2.502 3.225 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU QB 1 37 LYS QD . . 3.630 2.874 2.245 3.185 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU QB 1 37 LYS QE . . 4.240 1.876 1.746 2.028 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU QB 1 43 ILE MD . . 3.830 3.411 3.148 3.831 0.001 14 0 "[ . 1 . 2]" 1
807 1 35 LEU MD2 1 36 CYS H . . 3.710 3.525 3.010 3.703 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU MD2 1 37 LYS QE . . 4.280 3.365 2.702 3.660 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU MD2 1 76 THR MG . . 3.520 1.914 1.696 2.225 . 0 0 "[ . 1 . 2]" 1
810 1 35 LEU MD2 1 77 TYR H . . 5.500 5.018 4.440 5.336 . 0 0 "[ . 1 . 2]" 1
811 1 36 CYS H 1 36 CYS HB2 . . 3.500 2.592 2.447 2.752 . 0 0 "[ . 1 . 2]" 1
812 1 36 CYS H 1 36 CYS HB3 . . 3.950 3.735 3.662 3.811 . 0 0 "[ . 1 . 2]" 1
813 1 36 CYS H 1 36 CYS HG . . 3.820 3.300 2.710 3.800 . 0 0 "[ . 1 . 2]" 1
814 1 36 CYS H 1 37 LYS H . . 4.590 4.319 4.121 4.426 . 0 0 "[ . 1 . 2]" 1
815 1 36 CYS H 1 37 LYS QE . . 4.170 3.890 3.570 4.159 . 0 0 "[ . 1 . 2]" 1
816 1 36 CYS H 1 75 GLY HA2 . . 4.920 4.595 4.138 4.897 . 0 0 "[ . 1 . 2]" 1
817 1 36 CYS H 1 76 THR HA . . 4.150 3.884 3.289 4.149 . 0 0 "[ . 1 . 2]" 1
818 1 36 CYS H 1 76 THR MG . . 4.130 3.467 2.969 3.882 . 0 0 "[ . 1 . 2]" 1
819 1 36 CYS HA 1 37 LYS H . . 3.360 2.145 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
820 1 36 CYS HB2 1 37 LYS H . . 4.520 4.262 4.122 4.375 . 0 0 "[ . 1 . 2]" 1
821 1 36 CYS HB2 1 44 MET H . . 5.020 4.950 4.756 5.022 0.002 20 0 "[ . 1 . 2]" 1
822 1 36 CYS HB2 1 44 MET ME . . 4.770 4.434 4.010 4.772 0.002 17 0 "[ . 1 . 2]" 1
823 1 36 CYS HB2 1 44 MET HG2 . . 4.420 3.607 3.335 3.819 . 0 0 "[ . 1 . 2]" 1
824 1 36 CYS HB2 1 44 MET HG3 . . 4.420 3.930 3.566 4.243 . 0 0 "[ . 1 . 2]" 1
825 1 36 CYS HB2 1 77 TYR QE . . 4.980 4.722 4.039 4.950 . 0 0 "[ . 1 . 2]" 1
826 1 36 CYS HB3 1 37 LYS H . . 3.730 3.417 3.192 3.721 . 0 0 "[ . 1 . 2]" 1
827 1 36 CYS HB3 1 44 MET ME . . 5.140 3.677 3.013 4.497 . 0 0 "[ . 1 . 2]" 1
828 1 36 CYS HB3 1 44 MET HG2 . . 4.850 3.881 3.386 4.262 . 0 0 "[ . 1 . 2]" 1
829 1 36 CYS HB3 1 44 MET QG . . 3.990 3.658 3.279 3.975 . 0 0 "[ . 1 . 2]" 1
830 1 36 CYS HB3 1 44 MET HG3 . . 4.850 4.502 3.896 4.836 . 0 0 "[ . 1 . 2]" 1
831 1 36 CYS HB3 1 75 GLY HA2 . . 5.370 5.070 4.577 5.309 . 0 0 "[ . 1 . 2]" 1
832 1 36 CYS HG 1 51 VAL MG2 . . 4.570 4.436 4.215 4.568 . 0 0 "[ . 1 . 2]" 1
833 1 36 CYS HG 1 77 TYR QD . . 4.130 2.854 2.338 3.358 . 0 0 "[ . 1 . 2]" 1
834 1 36 CYS HG 1 77 TYR QE . . 3.980 3.252 2.205 3.976 . 0 0 "[ . 1 . 2]" 1
835 1 37 LYS H 1 37 LYS QB . . 3.620 2.449 2.398 2.520 . 0 0 "[ . 1 . 2]" 1
836 1 37 LYS H 1 37 LYS QD . . 4.260 2.600 2.404 2.795 . 0 0 "[ . 1 . 2]" 1
837 1 37 LYS H 1 37 LYS QE . . 4.650 4.436 4.194 4.653 0.003 3 0 "[ . 1 . 2]" 1
838 1 37 LYS H 1 37 LYS HG3 . . 4.100 3.915 3.746 4.050 . 0 0 "[ . 1 . 2]" 1
839 1 37 LYS H 1 38 ASP H . . 4.740 4.478 4.443 4.512 . 0 0 "[ . 1 . 2]" 1
840 1 37 LYS HA 1 37 LYS QD . . 4.800 3.244 3.089 3.335 . 0 0 "[ . 1 . 2]" 1
841 1 37 LYS HA 1 38 ASP H . . 3.150 2.462 2.324 2.567 . 0 0 "[ . 1 . 2]" 1
842 1 37 LYS HA 1 42 GLU H . . 4.600 4.506 4.317 4.603 0.003 9 0 "[ . 1 . 2]" 1
843 1 37 LYS HA 1 43 ILE H . . 5.100 4.926 4.738 5.099 . 0 0 "[ . 1 . 2]" 1
844 1 37 LYS HA 1 43 ILE HA . . 3.760 2.975 2.710 3.189 . 0 0 "[ . 1 . 2]" 1
845 1 37 LYS HA 1 43 ILE MD . . 4.930 3.942 3.551 4.504 . 0 0 "[ . 1 . 2]" 1
846 1 37 LYS HA 1 44 MET H . . 3.640 3.168 2.732 3.346 . 0 0 "[ . 1 . 2]" 1
847 1 37 LYS HA 1 44 MET HG2 . . 5.050 3.074 2.552 3.427 . 0 0 "[ . 1 . 2]" 1
848 1 37 LYS HA 1 44 MET QG . . 4.300 3.035 2.531 3.374 . 0 0 "[ . 1 . 2]" 1
849 1 37 LYS HA 1 44 MET HG3 . . 5.050 4.703 4.198 5.034 . 0 0 "[ . 1 . 2]" 1
850 1 37 LYS QB 1 38 ASP H . . 3.360 2.285 2.081 2.609 . 0 0 "[ . 1 . 2]" 1
851 1 37 LYS QB 1 41 GLY H . . 3.880 3.475 3.213 3.790 . 0 0 "[ . 1 . 2]" 1
852 1 37 LYS QB 1 41 GLY HA2 . . 4.270 2.460 2.263 2.701 . 0 0 "[ . 1 . 2]" 1
853 1 37 LYS QB 1 41 GLY HA3 . . 4.270 3.920 3.683 4.188 . 0 0 "[ . 1 . 2]" 1
854 1 37 LYS QB 1 42 GLU H . . 3.890 2.979 2.750 3.214 . 0 0 "[ . 1 . 2]" 1
855 1 37 LYS QB 1 43 ILE HA . . 4.480 4.240 4.017 4.430 . 0 0 "[ . 1 . 2]" 1
856 1 37 LYS QB 1 44 MET H . . 5.240 5.081 4.652 5.237 . 0 0 "[ . 1 . 2]" 1
857 1 37 LYS QD 1 43 ILE HA . . 4.700 4.421 4.042 4.602 . 0 0 "[ . 1 . 2]" 1
858 1 37 LYS QD 1 43 ILE MD . . 4.010 3.540 3.116 3.887 . 0 0 "[ . 1 . 2]" 1
859 1 37 LYS QE 1 37 LYS HG3 . . 3.680 2.412 2.269 2.747 . 0 0 "[ . 1 . 2]" 1
860 1 37 LYS QE 1 43 ILE HA . . 4.910 3.742 3.302 4.111 . 0 0 "[ . 1 . 2]" 1
861 1 37 LYS QE 1 43 ILE MD . . 3.730 2.041 1.829 2.289 . 0 0 "[ . 1 . 2]" 1
862 1 37 LYS HG2 1 38 ASP H . . 4.490 4.216 3.942 4.486 . 0 0 "[ . 1 . 2]" 1
863 1 37 LYS HG2 1 43 ILE HA . . 4.150 4.078 3.834 4.149 . 0 0 "[ . 1 . 2]" 1
864 1 37 LYS HG3 1 38 ASP H . . 4.390 3.803 3.601 3.929 . 0 0 "[ . 1 . 2]" 1
865 1 37 LYS HG3 1 43 ILE HA . . 4.040 2.581 2.439 2.704 . 0 0 "[ . 1 . 2]" 1
866 1 37 LYS HG3 1 44 MET H . . 4.400 4.100 3.804 4.332 . 0 0 "[ . 1 . 2]" 1
867 1 38 ASP H 1 38 ASP HB2 . . 4.120 3.331 2.474 3.710 . 0 0 "[ . 1 . 2]" 1
868 1 38 ASP H 1 38 ASP QB . . 3.470 2.555 2.414 2.857 . 0 0 "[ . 1 . 2]" 1
869 1 38 ASP H 1 38 ASP HB3 . . 4.120 2.932 2.451 3.704 . 0 0 "[ . 1 . 2]" 1
870 1 38 ASP H 1 39 ALA H . . 4.600 4.498 4.439 4.552 . 0 0 "[ . 1 . 2]" 1
871 1 38 ASP H 1 40 ALA H . . 4.670 4.298 3.970 4.533 . 0 0 "[ . 1 . 2]" 1
872 1 38 ASP H 1 42 GLU H . . 3.530 2.652 2.357 3.025 . 0 0 "[ . 1 . 2]" 1
873 1 38 ASP H 1 42 GLU HA . . 4.970 4.578 4.300 4.920 . 0 0 "[ . 1 . 2]" 1
874 1 38 ASP H 1 42 GLU HG2 . . 4.680 3.367 3.090 3.704 . 0 0 "[ . 1 . 2]" 1
875 1 38 ASP H 1 43 ILE HA . . 4.570 4.327 4.113 4.469 . 0 0 "[ . 1 . 2]" 1
876 1 38 ASP H 1 44 MET H . . 4.640 4.519 4.062 4.641 0.001 17 0 "[ . 1 . 2]" 1
877 1 38 ASP H 1 44 MET QB . . 4.830 3.709 3.225 4.277 . 0 0 "[ . 1 . 2]" 1
878 1 38 ASP H 1 44 MET ME . . 5.050 4.077 3.025 5.041 . 0 0 "[ . 1 . 2]" 1
879 1 38 ASP HA 1 39 ALA H . . 3.390 2.594 2.504 2.651 . 0 0 "[ . 1 . 2]" 1
880 1 38 ASP HA 1 39 ALA HA . . 4.680 4.308 4.299 4.315 . 0 0 "[ . 1 . 2]" 1
881 1 38 ASP HA 1 40 ALA H . . 4.600 4.211 4.004 4.445 . 0 0 "[ . 1 . 2]" 1
882 1 38 ASP HA 1 44 MET ME . . 3.630 2.972 2.317 3.631 0.001 9 0 "[ . 1 . 2]" 1
883 1 38 ASP QB 1 39 ALA H . . 3.000 2.163 2.019 2.308 . 0 0 "[ . 1 . 2]" 1
884 1 38 ASP QB 1 39 ALA MB . . 4.350 3.654 3.456 3.832 . 0 0 "[ . 1 . 2]" 1
885 1 38 ASP QB 1 40 ALA MB . . 4.820 3.648 2.982 4.151 . 0 0 "[ . 1 . 2]" 1
886 1 38 ASP QB 1 41 GLY H . . 5.340 3.918 3.014 4.397 . 0 0 "[ . 1 . 2]" 1
887 1 38 ASP QB 1 42 GLU H . . 4.820 3.638 2.627 4.405 . 0 0 "[ . 1 . 2]" 1
888 1 38 ASP HB2 1 39 ALA H . . 3.770 2.482 2.035 3.423 . 0 0 "[ . 1 . 2]" 1
889 1 38 ASP HB2 1 40 ALA H . . 4.290 3.047 2.299 3.610 . 0 0 "[ . 1 . 2]" 1
890 1 38 ASP HB3 1 39 ALA H . . 3.770 3.209 2.050 3.770 0.000 6 0 "[ . 1 . 2]" 1
891 1 38 ASP HB3 1 40 ALA H . . 4.290 3.830 2.841 4.259 . 0 0 "[ . 1 . 2]" 1
892 1 39 ALA H 1 39 ALA MB . . 2.970 2.140 2.024 2.232 . 0 0 "[ . 1 . 2]" 1
893 1 39 ALA H 1 40 ALA H . . 3.410 2.692 2.627 2.739 . 0 0 "[ . 1 . 2]" 1
894 1 39 ALA H 1 41 GLY H . . 4.500 4.121 4.002 4.270 . 0 0 "[ . 1 . 2]" 1
895 1 39 ALA HA 1 40 ALA H . . 3.570 3.445 3.327 3.512 . 0 0 "[ . 1 . 2]" 1
896 1 39 ALA HA 1 41 GLY H . . 4.490 3.776 3.470 4.071 . 0 0 "[ . 1 . 2]" 1
897 1 40 ALA H 1 40 ALA MB . . 2.700 2.280 2.148 2.368 . 0 0 "[ . 1 . 2]" 1
898 1 40 ALA H 1 41 GLY H . . 2.860 2.422 2.189 2.619 . 0 0 "[ . 1 . 2]" 1
899 1 40 ALA H 1 41 GLY HA2 . . 5.300 4.717 4.519 4.818 . 0 0 "[ . 1 . 2]" 1
900 1 40 ALA H 1 41 GLY QA . . 4.430 4.343 4.174 4.435 0.005 17 0 "[ . 1 . 2]" 1
901 1 40 ALA H 1 41 GLY HA3 . . 5.300 5.080 4.905 5.191 . 0 0 "[ . 1 . 2]" 1
902 1 40 ALA H 1 42 GLU H . . 3.770 3.659 3.300 3.769 . 0 0 "[ . 1 . 2]" 1
903 1 40 ALA MB 1 41 GLY H . . 3.440 3.133 2.884 3.440 . 0 0 "[ . 1 . 2]" 1
904 1 40 ALA MB 1 42 GLU H . . 3.460 3.069 2.785 3.386 . 0 0 "[ . 1 . 2]" 1
905 1 40 ALA MB 1 42 GLU HG2 . . 3.550 2.817 2.466 3.113 . 0 0 "[ . 1 . 2]" 1
906 1 40 ALA MB 1 42 GLU HG3 . . 4.210 4.134 3.882 4.213 0.003 14 0 "[ . 1 . 2]" 1
907 1 42 GLU H 1 42 GLU HB2 . . 3.950 3.783 3.730 3.846 . 0 0 "[ . 1 . 2]" 1
908 1 42 GLU H 1 42 GLU HB3 . . 3.120 2.926 2.803 3.081 . 0 0 "[ . 1 . 2]" 1
909 1 42 GLU H 1 42 GLU HG2 . . 3.510 2.201 2.056 2.376 . 0 0 "[ . 1 . 2]" 1
910 1 42 GLU H 1 42 GLU HG3 . . 3.880 3.649 3.534 3.831 . 0 0 "[ . 1 . 2]" 1
911 1 42 GLU HA 1 42 GLU HG2 . . 3.740 3.651 3.621 3.701 . 0 0 "[ . 1 . 2]" 1
912 1 42 GLU HA 1 42 GLU HG3 . . 3.990 3.841 3.771 3.913 . 0 0 "[ . 1 . 2]" 1
913 1 42 GLU HA 1 43 ILE H . . 2.820 2.344 2.296 2.376 . 0 0 "[ . 1 . 2]" 1
914 1 42 GLU HA 1 43 ILE HB . . 5.500 4.946 4.788 5.021 . 0 0 "[ . 1 . 2]" 1
915 1 42 GLU HA 1 43 ILE HG12 . . 4.250 3.738 3.528 3.886 . 0 0 "[ . 1 . 2]" 1
916 1 42 GLU HB2 1 43 ILE H . . 3.490 2.623 2.506 2.745 . 0 0 "[ . 1 . 2]" 1
917 1 42 GLU HB3 1 43 ILE H . . 4.010 3.942 3.827 4.016 0.006 17 0 "[ . 1 . 2]" 1
918 1 42 GLU HG2 1 43 ILE H . . 4.420 4.335 4.137 4.422 0.002 13 0 "[ . 1 . 2]" 1
919 1 42 GLU HG3 1 43 ILE H . . 4.210 3.612 3.425 3.805 . 0 0 "[ . 1 . 2]" 1
920 1 43 ILE H 1 43 ILE HB . . 2.990 2.608 2.444 2.681 . 0 0 "[ . 1 . 2]" 1
921 1 43 ILE H 1 43 ILE MD . . 3.820 3.174 2.639 3.625 . 0 0 "[ . 1 . 2]" 1
922 1 43 ILE H 1 43 ILE HG12 . . 3.370 1.989 1.904 2.274 . 0 0 "[ . 1 . 2]" 1
923 1 43 ILE H 1 43 ILE HG13 . . 3.570 3.469 3.256 3.549 . 0 0 "[ . 1 . 2]" 1
924 1 43 ILE H 1 43 ILE MG . . 3.850 3.763 3.748 3.770 . 0 0 "[ . 1 . 2]" 1
925 1 43 ILE H 1 44 MET H . . 4.680 4.584 4.550 4.625 . 0 0 "[ . 1 . 2]" 1
926 1 43 ILE HA 1 43 ILE MD . . 3.560 2.103 1.976 2.386 . 0 0 "[ . 1 . 2]" 1
927 1 43 ILE HA 1 43 ILE HG12 . . 4.170 3.039 2.743 3.270 . 0 0 "[ . 1 . 2]" 1
928 1 43 ILE HA 1 43 ILE HG13 . . 3.940 3.754 3.703 3.817 . 0 0 "[ . 1 . 2]" 1
929 1 43 ILE HA 1 43 ILE MG . . 3.570 2.349 2.277 2.432 . 0 0 "[ . 1 . 2]" 1
930 1 43 ILE HA 1 44 MET H . . 3.090 2.178 2.153 2.226 . 0 0 "[ . 1 . 2]" 1
931 1 43 ILE HA 1 44 MET QG . . 4.540 3.742 3.493 4.017 . 0 0 "[ . 1 . 2]" 1
932 1 43 ILE HB 1 43 ILE MD . . 3.420 3.216 3.180 3.229 . 0 0 "[ . 1 . 2]" 1
933 1 43 ILE HB 1 44 MET H . . 4.300 4.051 3.867 4.207 . 0 0 "[ . 1 . 2]" 1
934 1 43 ILE HB 1 44 MET HA . . 5.500 4.835 4.686 5.057 . 0 0 "[ . 1 . 2]" 1
935 1 43 ILE MD 1 44 MET H . . 3.920 3.558 3.287 3.705 . 0 0 "[ . 1 . 2]" 1
936 1 43 ILE HG12 1 43 ILE MG . . 3.600 3.187 3.160 3.199 . 0 0 "[ . 1 . 2]" 1
937 1 43 ILE HG12 1 44 MET H . . 5.140 5.023 4.807 5.151 0.011 5 0 "[ . 1 . 2]" 1
938 1 43 ILE HG13 1 43 ILE MG . . 3.710 2.412 2.305 2.556 . 0 0 "[ . 1 . 2]" 1
939 1 43 ILE MG 1 44 MET H . . 3.730 2.279 2.082 2.628 . 0 0 "[ . 1 . 2]" 1
940 1 43 ILE MG 1 44 MET HA . . 4.210 3.807 3.689 3.942 . 0 0 "[ . 1 . 2]" 1
941 1 43 ILE MG 1 45 GLY H . . 3.980 2.246 1.886 2.489 . 0 0 "[ . 1 . 2]" 1
942 1 43 ILE MG 1 45 GLY QA . . 4.160 2.934 2.803 3.099 . 0 0 "[ . 1 . 2]" 1
943 1 44 MET H 1 44 MET QB . . 3.540 2.852 2.678 2.933 . 0 0 "[ . 1 . 2]" 1
944 1 44 MET H 1 44 MET HG2 . . 4.050 2.125 1.899 2.399 . 0 0 "[ . 1 . 2]" 1
945 1 44 MET H 1 44 MET QG . . 3.280 2.036 1.886 2.306 . 0 0 "[ . 1 . 2]" 1
946 1 44 MET H 1 44 MET HG3 . . 4.050 2.862 2.282 3.429 . 0 0 "[ . 1 . 2]" 1
947 1 44 MET H 1 45 GLY H . . 4.370 2.080 1.958 2.286 . 0 0 "[ . 1 . 2]" 1
948 1 44 MET H 1 45 GLY QA . . 5.120 3.994 3.897 4.180 . 0 0 "[ . 1 . 2]" 1
949 1 44 MET H 1 46 ARG H . . 4.800 4.277 3.977 4.715 . 0 0 "[ . 1 . 2]" 1
950 1 44 MET HA 1 44 MET QG . . 3.720 3.332 3.311 3.338 . 0 0 "[ . 1 . 2]" 1
951 1 44 MET HA 1 45 GLY QA . . 5.210 4.344 4.225 4.457 . 0 0 "[ . 1 . 2]" 1
952 1 44 MET QB 1 46 ARG H . . 4.840 3.660 2.997 4.179 . 0 0 "[ . 1 . 2]" 1
953 1 44 MET ME 1 44 MET HG2 . . 3.490 2.822 2.320 3.375 . 0 0 "[ . 1 . 2]" 1
954 1 44 MET ME 1 44 MET HG3 . . 3.490 3.083 2.490 3.396 . 0 0 "[ . 1 . 2]" 1
955 1 44 MET QG 1 46 ARG H . . 3.780 2.062 1.884 2.562 . 0 0 "[ . 1 . 2]" 1
956 1 44 MET HG2 1 46 ARG H . . 4.650 3.583 3.024 4.301 . 0 0 "[ . 1 . 2]" 1
957 1 44 MET HG3 1 46 ARG H . . 4.650 2.076 1.901 2.582 . 0 0 "[ . 1 . 2]" 1
958 1 45 GLY H 1 46 ARG H . . 3.680 2.727 2.335 3.073 . 0 0 "[ . 1 . 2]" 1
959 1 45 GLY H 1 75 GLY HA2 . . 4.780 4.277 3.305 4.715 . 0 0 "[ . 1 . 2]" 1
960 1 45 GLY H 1 75 GLY HA3 . . 5.080 4.416 3.519 5.035 . 0 0 "[ . 1 . 2]" 1
961 1 46 ARG H 1 46 ARG HB2 . . 4.000 3.231 2.484 4.040 0.040 6 0 "[ . 1 . 2]" 1
962 1 46 ARG H 1 46 ARG QB . . 3.390 2.882 2.447 3.336 . 0 0 "[ . 1 . 2]" 1
963 1 46 ARG H 1 46 ARG HB3 . . 4.000 3.642 3.115 3.911 . 0 0 "[ . 1 . 2]" 1
964 1 46 ARG H 1 46 ARG QD . . 4.160 3.852 2.000 4.192 0.032 14 0 "[ . 1 . 2]" 1
965 1 46 ARG H 1 46 ARG QG . . 3.370 2.944 2.431 3.374 0.004 12 0 "[ . 1 . 2]" 1
966 1 46 ARG H 1 47 GLY H . . 4.470 4.239 1.896 4.456 . 0 0 "[ . 1 . 2]" 1
967 1 46 ARG H 1 75 GLY H . . 5.240 4.683 4.184 5.209 . 0 0 "[ . 1 . 2]" 1
968 1 46 ARG H 1 75 GLY HA2 . . 3.940 3.027 2.343 3.578 . 0 0 "[ . 1 . 2]" 1
969 1 46 ARG H 1 75 GLY HA3 . . 4.500 3.904 3.138 4.498 . 0 0 "[ . 1 . 2]" 1
970 1 46 ARG HA 1 46 ARG QD . . 4.770 3.521 1.973 4.385 . 0 0 "[ . 1 . 2]" 1
971 1 46 ARG HA 1 47 GLY H . . 3.420 2.425 2.146 3.434 0.014 17 0 "[ . 1 . 2]" 1
972 1 46 ARG QB 1 46 ARG QD . . 3.130 2.211 2.041 2.534 . 0 0 "[ . 1 . 2]" 1
973 1 46 ARG QB 1 47 GLY H . . 3.520 2.566 2.076 3.278 . 0 0 "[ . 1 . 2]" 1
974 1 46 ARG HB2 1 46 ARG HD2 . . 4.170 3.216 2.297 3.667 . 0 0 "[ . 1 . 2]" 1
975 1 46 ARG HB2 1 46 ARG HD3 . . 4.170 3.177 2.148 4.203 0.033 17 0 "[ . 1 . 2]" 1
976 1 46 ARG HB2 1 47 GLY H . . 4.310 3.264 2.132 4.278 . 0 0 "[ . 1 . 2]" 1
977 1 46 ARG HB3 1 46 ARG HD2 . . 4.170 3.034 2.096 4.203 0.033 16 0 "[ . 1 . 2]" 1
978 1 46 ARG HB3 1 46 ARG HD3 . . 4.170 3.152 2.606 3.739 . 0 0 "[ . 1 . 2]" 1
979 1 46 ARG HB3 1 47 GLY H . . 4.310 3.164 2.093 4.106 . 0 0 "[ . 1 . 2]" 1
980 1 46 ARG QG 1 47 GLY H . . 4.840 3.901 2.841 4.505 . 0 0 "[ . 1 . 2]" 1
981 1 47 GLY H 1 48 GLY H . . 4.570 3.862 2.432 4.553 . 0 0 "[ . 1 . 2]" 1
982 1 47 GLY H 1 73 LYS HA . . 4.650 4.378 3.440 4.641 . 0 0 "[ . 1 . 2]" 1
983 1 47 GLY H 1 73 LYS QB . . 5.040 4.152 3.307 5.033 . 0 0 "[ . 1 . 2]" 1
984 1 47 GLY QA 1 49 ASP H . . 4.310 3.815 3.394 4.293 . 0 0 "[ . 1 . 2]" 1
985 1 47 GLY QA 1 73 LYS HA . . 4.290 2.261 1.961 3.727 . 0 0 "[ . 1 . 2]" 1
986 1 47 GLY QA 1 75 GLY H . . 4.060 3.098 2.209 4.048 . 0 0 "[ . 1 . 2]" 1
987 1 47 GLY HA2 1 75 GLY H . . 4.660 3.520 2.673 4.527 . 0 0 "[ . 1 . 2]" 1
988 1 47 GLY HA3 1 75 GLY H . . 4.660 3.482 2.346 4.561 . 0 0 "[ . 1 . 2]" 1
989 1 48 GLY H 1 49 ASP H . . 3.760 2.643 1.922 3.262 . 0 0 "[ . 1 . 2]" 1
990 1 48 GLY H 1 77 TYR QE . . 5.280 4.417 3.266 5.229 . 0 0 "[ . 1 . 2]" 1
991 1 48 GLY H 1 77 TYR HH . . 4.930 3.719 2.368 4.601 . 0 0 "[ . 1 . 2]" 1
992 1 49 ASP H 1 49 ASP HB2 . . 3.940 2.962 2.562 3.913 . 0 0 "[ . 1 . 2]" 1
993 1 49 ASP H 1 49 ASP QB . . 3.240 2.783 2.520 3.160 . 0 0 "[ . 1 . 2]" 1
994 1 49 ASP H 1 49 ASP HB3 . . 3.940 3.693 2.962 3.920 . 0 0 "[ . 1 . 2]" 1
995 1 49 ASP H 1 50 ASN H . . 4.750 4.395 4.140 4.520 . 0 0 "[ . 1 . 2]" 1
996 1 49 ASP H 1 77 TYR QE . . 4.170 3.865 3.192 4.113 . 0 0 "[ . 1 . 2]" 1
997 1 49 ASP H 1 77 TYR HH . . 3.500 2.151 1.900 2.579 . 0 0 "[ . 1 . 2]" 1
998 1 49 ASP HA 1 50 ASN H . . 3.050 2.342 2.141 2.570 . 0 0 "[ . 1 . 2]" 1
999 1 49 ASP QB 1 50 ASN H . . 3.540 2.689 2.098 3.400 . 0 0 "[ . 1 . 2]" 1
1000 1 49 ASP QB 1 77 TYR QE . . 4.740 3.298 2.681 4.157 . 0 0 "[ . 1 . 2]" 1
1001 1 49 ASP QB 1 77 TYR HH . . 4.330 2.791 2.025 3.909 . 0 0 "[ . 1 . 2]" 1
1002 1 49 ASP QB 1 95 ILE MG . . 3.550 2.426 2.060 3.185 . 0 0 "[ . 1 . 2]" 1
1003 1 49 ASP HB2 1 50 ASN H . . 4.210 3.574 2.527 4.194 . 0 0 "[ . 1 . 2]" 1
1004 1 49 ASP HB2 1 51 VAL MG2 . . 4.290 3.264 2.802 4.248 . 0 0 "[ . 1 . 2]" 1
1005 1 49 ASP HB2 1 77 TYR HH . . 4.960 2.948 2.035 4.356 . 0 0 "[ . 1 . 2]" 1
1006 1 49 ASP HB2 1 95 ILE MG . . 4.350 3.294 2.084 4.052 . 0 0 "[ . 1 . 2]" 1
1007 1 49 ASP HB3 1 50 ASN H . . 4.210 2.912 2.112 4.206 . 0 0 "[ . 1 . 2]" 1
1008 1 49 ASP HB3 1 51 VAL MG2 . . 4.290 3.823 2.764 4.299 0.009 3 0 "[ . 1 . 2]" 1
1009 1 49 ASP HB3 1 77 TYR HH . . 4.960 4.064 3.067 4.804 . 0 0 "[ . 1 . 2]" 1
1010 1 49 ASP HB3 1 95 ILE MG . . 4.350 2.660 2.155 4.001 . 0 0 "[ . 1 . 2]" 1
1011 1 50 ASN H 1 50 ASN HB2 . . 3.600 2.546 2.252 3.506 . 0 0 "[ . 1 . 2]" 1
1012 1 50 ASN H 1 50 ASN HB3 . . 3.600 3.276 2.412 3.607 0.007 17 0 "[ . 1 . 2]" 1
1013 1 50 ASN H 1 51 VAL H . . 4.380 4.172 4.042 4.345 . 0 0 "[ . 1 . 2]" 1
1014 1 50 ASN H 1 95 ILE MG . . 4.490 2.960 2.567 3.545 . 0 0 "[ . 1 . 2]" 1
1015 1 50 ASN HA 1 51 VAL H . . 3.120 2.188 2.144 2.199 . 0 0 "[ . 1 . 2]" 1
1016 1 50 ASN HA 1 51 VAL HB . . 4.920 4.680 4.616 4.737 . 0 0 "[ . 1 . 2]" 1
1017 1 50 ASN QB 1 51 VAL H . . 4.080 3.741 3.507 3.987 . 0 0 "[ . 1 . 2]" 1
1018 1 50 ASN QB 1 95 ILE HA . . 5.340 4.215 3.861 4.830 . 0 0 "[ . 1 . 2]" 1
1019 1 50 ASN QB 1 96 LYS H . . 4.660 2.793 2.253 3.723 . 0 0 "[ . 1 . 2]" 1
1020 1 50 ASN QB 1 96 LYS QG . . 4.000 2.682 2.119 3.998 . 0 0 "[ . 1 . 2]" 1
1021 1 50 ASN HB2 1 51 VAL H . . 4.660 4.495 3.919 4.593 . 0 0 "[ . 1 . 2]" 1
1022 1 50 ASN HB2 1 96 LYS QG . . 4.650 2.981 2.135 4.400 . 0 0 "[ . 1 . 2]" 1
1023 1 50 ASN HB3 1 51 VAL H . . 4.660 4.036 3.657 4.517 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ASN HB3 1 96 LYS QG . . 4.650 3.752 2.516 4.590 . 0 0 "[ . 1 . 2]" 1
1025 1 50 ASN QD 1 96 LYS QG . . 4.580 3.472 2.263 4.571 . 0 0 "[ . 1 . 2]" 1
1026 1 51 VAL H 1 51 VAL HB . . 3.250 2.507 2.431 2.546 . 0 0 "[ . 1 . 2]" 1
1027 1 51 VAL H 1 51 VAL MG1 . . 4.070 3.790 3.758 3.807 . 0 0 "[ . 1 . 2]" 1
1028 1 51 VAL H 1 51 VAL MG2 . . 3.300 2.513 2.278 2.658 . 0 0 "[ . 1 . 2]" 1
1029 1 51 VAL H 1 52 GLN H . . 4.810 4.506 4.422 4.590 . 0 0 "[ . 1 . 2]" 1
1030 1 51 VAL H 1 95 ILE HG12 . . 4.770 4.675 4.412 4.774 0.004 2 0 "[ . 1 . 2]" 1
1031 1 51 VAL HA 1 51 VAL MG1 . . 3.490 2.373 2.297 2.464 . 0 0 "[ . 1 . 2]" 1
1032 1 51 VAL HA 1 51 VAL MG2 . . 3.500 2.366 2.288 2.438 . 0 0 "[ . 1 . 2]" 1
1033 1 51 VAL HA 1 52 GLN H . . 2.940 2.180 2.141 2.246 . 0 0 "[ . 1 . 2]" 1
1034 1 51 VAL HA 1 52 GLN HA . . 4.800 4.401 4.389 4.428 . 0 0 "[ . 1 . 2]" 1
1035 1 51 VAL HA 1 95 ILE HA . . 4.180 2.819 2.447 3.126 . 0 0 "[ . 1 . 2]" 1
1036 1 51 VAL HA 1 95 ILE MD . . 4.230 4.009 3.721 4.200 . 0 0 "[ . 1 . 2]" 1
1037 1 51 VAL HA 1 95 ILE HG12 . . 3.890 2.475 2.182 2.745 . 0 0 "[ . 1 . 2]" 1
1038 1 51 VAL HA 1 95 ILE HG13 . . 4.530 3.511 3.258 3.811 . 0 0 "[ . 1 . 2]" 1
1039 1 51 VAL HA 1 95 ILE MG . . 4.580 3.514 3.064 4.041 . 0 0 "[ . 1 . 2]" 1
1040 1 51 VAL HB 1 52 GLN H . . 4.980 4.104 3.911 4.286 . 0 0 "[ . 1 . 2]" 1
1041 1 51 VAL MG1 1 52 GLN H . . 3.630 2.323 1.951 2.875 . 0 0 "[ . 1 . 2]" 1
1042 1 51 VAL MG1 1 52 GLN HA . . 4.770 3.617 3.444 3.839 . 0 0 "[ . 1 . 2]" 1
1043 1 51 VAL MG1 1 53 VAL HB . . 4.500 4.368 4.022 4.503 0.003 3 0 "[ . 1 . 2]" 1
1044 1 51 VAL MG1 1 53 VAL MG2 . . 2.840 2.265 2.070 2.515 . 0 0 "[ . 1 . 2]" 1
1045 1 51 VAL MG1 1 69 VAL QG . . 3.310 3.042 2.617 3.308 . 0 0 "[ . 1 . 2]" 1
1046 1 51 VAL MG1 1 77 TYR HB2 . . 5.000 3.976 3.643 4.303 . 0 0 "[ . 1 . 2]" 1
1047 1 51 VAL MG1 1 77 TYR HB3 . . 5.180 4.001 3.543 4.358 . 0 0 "[ . 1 . 2]" 1
1048 1 51 VAL MG1 1 94 CYS H . . 4.510 4.145 3.832 4.381 . 0 0 "[ . 1 . 2]" 1
1049 1 51 VAL MG2 1 52 GLN H . . 4.230 3.962 3.864 4.105 . 0 0 "[ . 1 . 2]" 1
1050 1 51 VAL MG2 1 77 TYR QD . . 4.210 3.062 2.701 3.437 . 0 0 "[ . 1 . 2]" 1
1051 1 51 VAL MG2 1 77 TYR QE . . 4.130 2.957 2.662 3.210 . 0 0 "[ . 1 . 2]" 1
1052 1 51 VAL MG2 1 95 ILE MD . . 3.490 2.712 1.976 3.140 . 0 0 "[ . 1 . 2]" 1
1053 1 51 VAL MG2 1 95 ILE HG12 . . 3.360 2.355 1.959 2.712 . 0 0 "[ . 1 . 2]" 1
1054 1 51 VAL MG2 1 95 ILE HG13 . . 4.290 3.600 3.208 4.085 . 0 0 "[ . 1 . 2]" 1
1055 1 52 GLN H 1 52 GLN HB2 . . 3.960 2.668 2.379 3.435 . 0 0 "[ . 1 . 2]" 1
1056 1 52 GLN H 1 52 GLN QB . . 3.340 2.478 2.251 2.690 . 0 0 "[ . 1 . 2]" 1
1057 1 52 GLN H 1 52 GLN HB3 . . 3.960 3.501 2.294 3.835 . 0 0 "[ . 1 . 2]" 1
1058 1 52 GLN H 1 52 GLN HG2 . . 4.470 3.783 2.896 4.522 0.052 8 0 "[ . 1 . 2]" 1
1059 1 52 GLN H 1 52 GLN QG . . 3.720 3.208 2.508 3.722 0.002 4 0 "[ . 1 . 2]" 1
1060 1 52 GLN H 1 52 GLN HG3 . . 4.470 3.748 2.549 4.471 0.001 14 0 "[ . 1 . 2]" 1
1061 1 52 GLN H 1 53 VAL H . . 4.350 4.311 4.182 4.409 0.059 8 0 "[ . 1 . 2]" 1
1062 1 52 GLN H 1 53 VAL MG2 . . 4.300 3.786 3.598 4.067 . 0 0 "[ . 1 . 2]" 1
1063 1 52 GLN H 1 94 CYS H . . 4.090 3.174 3.009 3.377 . 0 0 "[ . 1 . 2]" 1
1064 1 52 GLN H 1 95 ILE HA . . 4.270 3.453 3.162 3.693 . 0 0 "[ . 1 . 2]" 1
1065 1 52 GLN H 1 95 ILE HG12 . . 4.640 3.928 3.549 4.300 . 0 0 "[ . 1 . 2]" 1
1066 1 52 GLN HA 1 52 GLN HG2 . . 4.060 2.755 2.198 3.978 . 0 0 "[ . 1 . 2]" 1
1067 1 52 GLN HA 1 52 GLN QG . . 3.500 2.543 2.160 3.206 . 0 0 "[ . 1 . 2]" 1
1068 1 52 GLN HA 1 52 GLN HG3 . . 4.060 3.279 2.761 3.775 . 0 0 "[ . 1 . 2]" 1
1069 1 52 GLN HA 1 53 VAL H . . 2.710 2.149 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
1070 1 52 GLN HA 1 53 VAL HB . . 4.830 4.603 4.517 4.727 . 0 0 "[ . 1 . 2]" 1
1071 1 52 GLN HA 1 53 VAL MG2 . . 3.830 3.658 3.421 3.786 . 0 0 "[ . 1 . 2]" 1
1072 1 52 GLN QB 1 53 VAL H . . 3.670 3.344 3.010 3.715 0.045 8 0 "[ . 1 . 2]" 1
1073 1 52 GLN QB 1 94 CYS H . . 4.190 2.896 2.511 3.384 . 0 0 "[ . 1 . 2]" 1
1074 1 52 GLN QB 1 94 CYS HB2 . . 3.690 2.960 2.677 3.526 . 0 0 "[ . 1 . 2]" 1
1075 1 52 GLN HB2 1 94 CYS H . . 4.960 3.213 2.537 4.686 . 0 0 "[ . 1 . 2]" 1
1076 1 52 GLN HB2 1 94 CYS HB2 . . 4.570 3.246 2.731 4.557 . 0 0 "[ . 1 . 2]" 1
1077 1 52 GLN HB3 1 94 CYS H . . 4.960 3.867 2.937 4.421 . 0 0 "[ . 1 . 2]" 1
1078 1 52 GLN HB3 1 94 CYS HB2 . . 4.570 4.026 2.908 4.573 0.003 3 0 "[ . 1 . 2]" 1
1079 1 53 VAL H 1 53 VAL HB . . 3.360 2.692 2.591 2.787 . 0 0 "[ . 1 . 2]" 1
1080 1 53 VAL H 1 53 VAL MG1 . . 3.990 3.864 3.830 3.915 . 0 0 "[ . 1 . 2]" 1
1081 1 53 VAL H 1 53 VAL MG2 . . 3.670 2.820 2.589 3.035 . 0 0 "[ . 1 . 2]" 1
1082 1 53 VAL H 1 54 ALA H . . 4.470 4.278 4.083 4.432 . 0 0 "[ . 1 . 2]" 1
1083 1 53 VAL HA 1 53 VAL MG1 . . 3.500 2.411 2.320 2.471 . 0 0 "[ . 1 . 2]" 1
1084 1 53 VAL HA 1 53 VAL MG2 . . 3.370 2.400 2.263 2.508 . 0 0 "[ . 1 . 2]" 1
1085 1 53 VAL HA 1 54 ALA H . . 2.980 2.160 2.141 2.220 . 0 0 "[ . 1 . 2]" 1
1086 1 53 VAL HA 1 91 VAL MG1 . . 4.760 4.146 3.765 4.388 . 0 0 "[ . 1 . 2]" 1
1087 1 53 VAL HA 1 93 VAL HA . . 3.790 3.081 2.744 3.306 . 0 0 "[ . 1 . 2]" 1
1088 1 53 VAL HA 1 93 VAL MG2 . . 4.660 3.207 2.851 3.535 . 0 0 "[ . 1 . 2]" 1
1089 1 53 VAL HA 1 94 CYS H . . 4.360 4.272 4.041 4.356 . 0 0 "[ . 1 . 2]" 1
1090 1 53 VAL HB 1 54 ALA H . . 4.540 4.199 3.865 4.378 . 0 0 "[ . 1 . 2]" 1
1091 1 53 VAL HB 1 54 ALA HA . . 4.970 4.712 4.465 4.832 . 0 0 "[ . 1 . 2]" 1
1092 1 53 VAL HB 1 67 THR HB . . 4.270 3.938 3.364 4.257 . 0 0 "[ . 1 . 2]" 1
1093 1 53 VAL MG1 1 54 ALA H . . 3.180 2.520 2.087 3.029 . 0 0 "[ . 1 . 2]" 1
1094 1 53 VAL MG1 1 55 VAL MG2 . . 3.280 2.838 2.614 3.049 . 0 0 "[ . 1 . 2]" 1
1095 1 53 VAL MG1 1 67 THR HB . . 3.670 2.940 2.449 3.160 . 0 0 "[ . 1 . 2]" 1
1096 1 53 VAL MG1 1 67 THR MG . . 3.030 2.640 2.389 2.837 . 0 0 "[ . 1 . 2]" 1
1097 1 53 VAL MG1 1 68 MET H . . 4.380 4.258 3.870 4.366 . 0 0 "[ . 1 . 2]" 1
1098 1 53 VAL MG1 1 79 ILE MG . . 2.960 2.046 1.803 2.305 . 0 0 "[ . 1 . 2]" 1
1099 1 53 VAL MG1 1 80 SER H . . 4.800 4.544 4.325 4.739 . 0 0 "[ . 1 . 2]" 1
1100 1 53 VAL MG1 1 91 VAL MG1 . . 3.330 2.867 2.447 3.155 . 0 0 "[ . 1 . 2]" 1
1101 1 53 VAL MG2 1 79 ILE MD . . 2.900 2.027 1.802 2.333 . 0 0 "[ . 1 . 2]" 1
1102 1 53 VAL MG2 1 79 ILE QG . . 3.700 2.110 1.957 2.389 . 0 0 "[ . 1 . 2]" 1
1103 1 53 VAL MG2 1 79 ILE MG . . 2.900 2.165 1.925 2.539 . 0 0 "[ . 1 . 2]" 1
1104 1 53 VAL MG2 1 93 VAL HA . . 4.250 3.475 3.264 3.821 . 0 0 "[ . 1 . 2]" 1
1105 1 54 ALA H 1 54 ALA MB . . 3.190 2.687 2.526 2.879 . 0 0 "[ . 1 . 2]" 1
1106 1 54 ALA H 1 55 VAL H . . 4.660 4.055 3.745 4.315 . 0 0 "[ . 1 . 2]" 1
1107 1 54 ALA H 1 55 VAL MG2 . . 4.750 3.862 3.389 4.281 . 0 0 "[ . 1 . 2]" 1
1108 1 54 ALA H 1 91 VAL MG1 . . 4.440 3.722 3.272 4.017 . 0 0 "[ . 1 . 2]" 1
1109 1 54 ALA H 1 92 TRP H . . 3.810 3.011 2.634 3.492 . 0 0 "[ . 1 . 2]" 1
1110 1 54 ALA H 1 92 TRP HB2 . . 4.480 2.854 2.609 3.159 . 0 0 "[ . 1 . 2]" 1
1111 1 54 ALA H 1 92 TRP QB . . 3.720 2.785 2.548 3.086 . 0 0 "[ . 1 . 2]" 1
1112 1 54 ALA H 1 92 TRP HB3 . . 4.480 3.893 3.572 4.337 . 0 0 "[ . 1 . 2]" 1
1113 1 54 ALA HA 1 55 VAL H . . 2.890 2.153 2.141 2.224 . 0 0 "[ . 1 . 2]" 1
1114 1 54 ALA HA 1 55 VAL HB . . 5.090 4.653 4.476 4.814 . 0 0 "[ . 1 . 2]" 1
1115 1 54 ALA HA 1 67 THR MG . . 3.670 3.215 2.631 3.611 . 0 0 "[ . 1 . 2]" 1
1116 1 54 ALA HA 1 92 TRP QB . . 5.330 4.330 4.147 4.499 . 0 0 "[ . 1 . 2]" 1
1117 1 54 ALA MB 1 55 VAL H . . 3.390 3.241 2.850 3.387 . 0 0 "[ . 1 . 2]" 1
1118 1 54 ALA MB 1 56 VAL MG2 . . 3.340 3.139 2.943 3.343 0.003 12 0 "[ . 1 . 2]" 1
1119 1 54 ALA MB 1 92 TRP H . . 4.080 3.734 3.517 3.854 . 0 0 "[ . 1 . 2]" 1
1120 1 54 ALA MB 1 92 TRP HB2 . . 4.050 2.287 2.054 2.496 . 0 0 "[ . 1 . 2]" 1
1121 1 54 ALA MB 1 92 TRP QB . . 3.390 2.248 2.018 2.452 . 0 0 "[ . 1 . 2]" 1
1122 1 54 ALA MB 1 92 TRP HB3 . . 4.050 3.332 2.956 3.663 . 0 0 "[ . 1 . 2]" 1
1123 1 54 ALA MB 1 92 TRP HD1 . . 4.710 4.644 4.386 4.713 0.003 13 0 "[ . 1 . 2]" 1
1124 1 54 ALA MB 1 92 TRP HE3 . . 4.530 4.050 3.816 4.509 . 0 0 "[ . 1 . 2]" 1
1125 1 55 VAL H 1 55 VAL HB . . 3.580 2.579 2.454 2.742 . 0 0 "[ . 1 . 2]" 1
1126 1 55 VAL H 1 55 VAL MG1 . . 4.160 3.814 3.742 3.878 . 0 0 "[ . 1 . 2]" 1
1127 1 55 VAL H 1 55 VAL MG2 . . 3.810 2.568 2.240 2.969 . 0 0 "[ . 1 . 2]" 1
1128 1 55 VAL H 1 56 VAL H . . 4.980 4.421 4.265 4.534 . 0 0 "[ . 1 . 2]" 1
1129 1 55 VAL H 1 65 VAL HB . . 3.650 3.482 3.195 3.652 0.002 6 0 "[ . 1 . 2]" 1
1130 1 55 VAL H 1 67 THR MG . . 3.580 2.590 2.159 3.106 . 0 0 "[ . 1 . 2]" 1
1131 1 55 VAL HA 1 55 VAL MG1 . . 3.460 2.343 2.182 2.502 . 0 0 "[ . 1 . 2]" 1
1132 1 55 VAL HA 1 55 VAL MG2 . . 3.510 2.371 2.153 2.527 . 0 0 "[ . 1 . 2]" 1
1133 1 55 VAL HA 1 56 VAL H . . 3.060 2.160 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
1134 1 55 VAL HA 1 56 VAL HB . . 4.840 4.690 4.558 4.826 . 0 0 "[ . 1 . 2]" 1
1135 1 55 VAL HA 1 56 VAL MG2 . . 4.490 3.543 3.300 3.779 . 0 0 "[ . 1 . 2]" 1
1136 1 55 VAL HA 1 65 VAL HB . . 4.650 4.503 4.350 4.653 0.003 5 0 "[ . 1 . 2]" 1
1137 1 55 VAL HA 1 90 THR H . . 4.420 4.213 4.033 4.415 . 0 0 "[ . 1 . 2]" 1
1138 1 55 VAL HA 1 91 VAL H . . 5.010 4.783 4.526 5.011 0.001 10 0 "[ . 1 . 2]" 1
1139 1 55 VAL HA 1 91 VAL MG2 . . 4.100 3.792 3.462 3.990 . 0 0 "[ . 1 . 2]" 1
1140 1 55 VAL HA 1 92 TRP H . . 4.280 3.135 2.890 3.426 . 0 0 "[ . 1 . 2]" 1
1141 1 55 VAL HB 1 65 VAL H . . 4.650 4.559 4.321 4.651 0.001 14 0 "[ . 1 . 2]" 1
1142 1 55 VAL HB 1 65 VAL HB . . 3.490 2.095 1.998 2.362 . 0 0 "[ . 1 . 2]" 1
1143 1 55 VAL HB 1 65 VAL MG1 . . 3.110 2.273 2.066 2.471 . 0 0 "[ . 1 . 2]" 1
1144 1 55 VAL HB 1 65 VAL MG2 . . 3.630 3.081 2.684 3.493 . 0 0 "[ . 1 . 2]" 1
1145 1 55 VAL HB 1 67 THR MG . . 3.620 2.780 2.574 3.107 . 0 0 "[ . 1 . 2]" 1
1146 1 55 VAL HB 1 91 VAL HA . . 5.500 4.903 4.632 5.274 . 0 0 "[ . 1 . 2]" 1
1147 1 55 VAL MG1 1 56 VAL H . . 3.850 2.504 2.048 2.859 . 0 0 "[ . 1 . 2]" 1
1148 1 55 VAL MG1 1 65 VAL HB . . 3.710 2.884 2.490 3.369 . 0 0 "[ . 1 . 2]" 1
1149 1 55 VAL MG1 1 65 VAL MG2 . . 3.290 2.199 1.905 2.556 . 0 0 "[ . 1 . 2]" 1
1150 1 55 VAL MG1 1 81 TYR HB2 . . 4.190 3.976 3.659 4.186 . 0 0 "[ . 1 . 2]" 1
1151 1 55 VAL MG1 1 81 TYR QD . . 4.050 3.865 3.516 4.055 0.005 20 0 "[ . 1 . 2]" 1
1152 1 55 VAL MG1 1 89 TYR HB2 . . 4.130 3.403 3.031 3.668 . 0 0 "[ . 1 . 2]" 1
1153 1 55 VAL MG1 1 89 TYR HB3 . . 3.660 2.314 2.110 2.533 . 0 0 "[ . 1 . 2]" 1
1154 1 55 VAL MG1 1 89 TYR QD . . 3.360 2.063 1.907 2.446 . 0 0 "[ . 1 . 2]" 1
1155 1 55 VAL MG1 1 89 TYR QE . . 4.100 3.561 3.226 4.074 . 0 0 "[ . 1 . 2]" 1
1156 1 55 VAL MG1 1 90 THR H . . 3.890 3.095 2.719 3.533 . 0 0 "[ . 1 . 2]" 1
1157 1 55 VAL MG1 1 91 VAL HA . . 4.170 3.334 2.812 3.732 . 0 0 "[ . 1 . 2]" 1
1158 1 55 VAL MG2 1 56 VAL H . . 4.350 4.034 3.789 4.212 . 0 0 "[ . 1 . 2]" 1
1159 1 55 VAL MG2 1 65 VAL HB . . 4.120 3.751 3.491 4.036 . 0 0 "[ . 1 . 2]" 1
1160 1 55 VAL MG2 1 67 THR MG . . 3.060 2.081 1.790 2.343 . 0 0 "[ . 1 . 2]" 1
1161 1 55 VAL MG2 1 81 TYR HB2 . . 4.250 2.822 2.389 3.237 . 0 0 "[ . 1 . 2]" 1
1162 1 55 VAL MG2 1 81 TYR HB3 . . 4.260 2.978 2.582 3.412 . 0 0 "[ . 1 . 2]" 1
1163 1 55 VAL MG2 1 81 TYR QD . . 4.070 3.394 3.133 3.637 . 0 0 "[ . 1 . 2]" 1
1164 1 55 VAL MG2 1 91 VAL HA . . 3.870 2.540 2.107 2.907 . 0 0 "[ . 1 . 2]" 1
1165 1 55 VAL MG2 1 91 VAL MG1 . . 3.300 2.562 2.045 3.110 . 0 0 "[ . 1 . 2]" 1
1166 1 55 VAL MG2 1 91 VAL MG2 . . 3.160 2.306 1.990 2.901 . 0 0 "[ . 1 . 2]" 1
1167 1 55 VAL MG2 1 92 TRP H . . 4.600 3.558 3.241 3.873 . 0 0 "[ . 1 . 2]" 1
1168 1 56 VAL H 1 56 VAL HB . . 3.540 2.839 2.615 2.961 . 0 0 "[ . 1 . 2]" 1
1169 1 56 VAL H 1 56 VAL MG1 . . 4.480 3.931 3.844 3.984 . 0 0 "[ . 1 . 2]" 1
1170 1 56 VAL H 1 56 VAL MG2 . . 3.590 2.797 2.590 3.030 . 0 0 "[ . 1 . 2]" 1
1171 1 56 VAL H 1 57 PRO QD . . 4.790 4.127 3.993 4.243 . 0 0 "[ . 1 . 2]" 1
1172 1 56 VAL H 1 89 TYR HB3 . . 4.600 3.873 3.518 4.331 . 0 0 "[ . 1 . 2]" 1
1173 1 56 VAL H 1 89 TYR QD . . 4.790 3.943 3.476 4.404 . 0 0 "[ . 1 . 2]" 1
1174 1 56 VAL H 1 90 THR HB . . 4.960 3.454 3.217 3.737 . 0 0 "[ . 1 . 2]" 1
1175 1 56 VAL H 1 91 VAL HA . . 4.140 3.952 3.654 4.119 . 0 0 "[ . 1 . 2]" 1
1176 1 56 VAL H 1 92 TRP H . . 4.910 4.488 4.093 4.858 . 0 0 "[ . 1 . 2]" 1
1177 1 56 VAL HA 1 56 VAL MG1 . . 3.580 2.310 2.215 2.406 . 0 0 "[ . 1 . 2]" 1
1178 1 56 VAL HA 1 56 VAL MG2 . . 3.520 2.418 2.286 2.585 . 0 0 "[ . 1 . 2]" 1
1179 1 56 VAL HA 1 57 PRO QD . . 3.290 1.909 1.882 1.958 . 0 0 "[ . 1 . 2]" 1
1180 1 56 VAL HA 1 57 PRO HG2 . . 4.340 4.233 4.188 4.312 . 0 0 "[ . 1 . 2]" 1
1181 1 56 VAL HA 1 57 PRO HG3 . . 4.390 4.323 4.315 4.348 . 0 0 "[ . 1 . 2]" 1
1182 1 56 VAL HB 1 90 THR H . . 4.450 4.260 4.046 4.393 . 0 0 "[ . 1 . 2]" 1
1183 1 56 VAL HB 1 90 THR HB . . 3.750 3.472 3.152 3.744 . 0 0 "[ . 1 . 2]" 1
1184 1 56 VAL HB 1 92 TRP HE1 . . 4.970 4.388 3.805 4.890 . 0 0 "[ . 1 . 2]" 1
1185 1 56 VAL MG1 1 57 PRO QD . . 3.470 1.933 1.794 2.027 . 0 0 "[ . 1 . 2]" 1
1186 1 56 VAL MG1 1 57 PRO HG2 . . 3.470 3.238 3.013 3.422 . 0 0 "[ . 1 . 2]" 1
1187 1 56 VAL MG1 1 57 PRO HG3 . . 4.380 4.181 3.936 4.349 . 0 0 "[ . 1 . 2]" 1
1188 1 56 VAL MG1 1 61 LYS HA . . 4.340 2.821 2.224 3.442 . 0 0 "[ . 1 . 2]" 1
1189 1 56 VAL MG2 1 57 PRO QD . . 3.770 3.453 3.320 3.629 . 0 0 "[ . 1 . 2]" 1
1190 1 56 VAL MG2 1 64 PRO HA . . 3.900 3.721 3.028 3.890 . 0 0 "[ . 1 . 2]" 1
1191 1 56 VAL MG2 1 90 THR HB . . 4.480 4.409 4.173 4.480 0.000 5 0 "[ . 1 . 2]" 1
1192 1 56 VAL MG2 1 92 TRP HD1 . . 4.600 4.416 4.118 4.599 . 0 0 "[ . 1 . 2]" 1
1193 1 56 VAL MG2 1 92 TRP HE1 . . 4.870 4.573 4.048 4.836 . 0 0 "[ . 1 . 2]" 1
1194 1 57 PRO HA 1 58 LYS H . . 2.940 2.157 2.150 2.189 . 0 0 "[ . 1 . 2]" 1
1195 1 57 PRO HA 1 58 LYS QB . . 4.340 4.124 4.047 4.375 0.035 16 0 "[ . 1 . 2]" 1
1196 1 57 PRO HA 1 59 ASP H . . 3.820 3.694 3.544 3.835 0.015 20 0 "[ . 1 . 2]" 1
1197 1 57 PRO HA 1 89 TYR HA . . 3.470 2.154 2.005 2.430 . 0 0 "[ . 1 . 2]" 1
1198 1 57 PRO HA 1 89 TYR HB2 . . 4.970 4.479 4.302 4.682 . 0 0 "[ . 1 . 2]" 1
1199 1 57 PRO HA 1 89 TYR HB3 . . 4.670 3.641 3.306 3.875 . 0 0 "[ . 1 . 2]" 1
1200 1 57 PRO HA 1 89 TYR QD . . 3.880 3.072 2.879 3.226 . 0 0 "[ . 1 . 2]" 1
1201 1 57 PRO HA 1 89 TYR QE . . 4.700 3.843 3.666 4.026 . 0 0 "[ . 1 . 2]" 1
1202 1 57 PRO HA 1 90 THR H . . 3.900 3.576 3.383 3.761 . 0 0 "[ . 1 . 2]" 1
1203 1 57 PRO QB 1 58 LYS H . . 3.730 3.304 3.107 3.396 . 0 0 "[ . 1 . 2]" 1
1204 1 57 PRO QB 1 59 ASP H . . 3.770 2.646 2.430 2.879 . 0 0 "[ . 1 . 2]" 1
1205 1 57 PRO QB 1 60 LYS H . . 5.120 2.394 2.199 2.734 . 0 0 "[ . 1 . 2]" 1
1206 1 57 PRO QB 1 60 LYS QG . . 4.630 3.869 2.602 4.366 . 0 0 "[ . 1 . 2]" 1
1207 1 57 PRO QB 1 89 TYR HA . . 5.010 3.902 3.740 4.145 . 0 0 "[ . 1 . 2]" 1
1208 1 57 PRO QB 1 89 TYR QD . . 3.970 3.272 3.034 3.460 . 0 0 "[ . 1 . 2]" 1
1209 1 57 PRO QB 1 89 TYR QE . . 3.580 2.601 2.441 2.762 . 0 0 "[ . 1 . 2]" 1
1210 1 57 PRO HB2 1 58 LYS H . . 4.350 3.524 3.283 3.637 . 0 0 "[ . 1 . 2]" 1
1211 1 57 PRO HB2 1 59 ASP H . . 4.350 2.679 2.453 2.924 . 0 0 "[ . 1 . 2]" 1
1212 1 57 PRO HB2 1 89 TYR QD . . 4.820 4.642 4.475 4.773 . 0 0 "[ . 1 . 2]" 1
1213 1 57 PRO HB2 1 89 TYR QE . . 4.260 4.118 4.015 4.260 0.000 6 0 "[ . 1 . 2]" 1
1214 1 57 PRO HB3 1 58 LYS H . . 4.350 3.995 3.837 4.071 . 0 0 "[ . 1 . 2]" 1
1215 1 57 PRO HB3 1 59 ASP H . . 4.350 4.112 3.921 4.315 . 0 0 "[ . 1 . 2]" 1
1216 1 57 PRO HB3 1 89 TYR QD . . 4.820 3.345 3.086 3.557 . 0 0 "[ . 1 . 2]" 1
1217 1 57 PRO HB3 1 89 TYR QE . . 4.260 2.630 2.462 2.802 . 0 0 "[ . 1 . 2]" 1
1218 1 57 PRO QD 1 64 PRO HA . . 4.460 3.593 3.115 3.912 . 0 0 "[ . 1 . 2]" 1
1219 1 57 PRO QD 1 65 VAL H . . 4.610 4.497 4.236 4.612 0.002 6 0 "[ . 1 . 2]" 1
1220 1 57 PRO QD 1 65 VAL MG2 . . 4.640 1.992 1.799 2.225 . 0 0 "[ . 1 . 2]" 1
1221 1 57 PRO QD 1 89 TYR QD . . 4.820 3.005 2.786 3.398 . 0 0 "[ . 1 . 2]" 1
1222 1 57 PRO QD 1 89 TYR QE . . 4.640 2.723 2.234 3.138 . 0 0 "[ . 1 . 2]" 1
1223 1 57 PRO HG2 1 60 LYS H . . 5.500 2.757 2.476 3.005 . 0 0 "[ . 1 . 2]" 1
1224 1 57 PRO HG2 1 60 LYS QG . . 4.760 3.840 2.105 4.313 . 0 0 "[ . 1 . 2]" 1
1225 1 57 PRO HG2 1 63 SER HB2 . . 5.270 4.235 2.922 5.040 . 0 0 "[ . 1 . 2]" 1
1226 1 57 PRO HG2 1 63 SER QB . . 4.390 3.250 2.886 4.176 . 0 0 "[ . 1 . 2]" 1
1227 1 57 PRO HG2 1 63 SER HB3 . . 5.270 3.760 2.935 5.216 . 0 0 "[ . 1 . 2]" 1
1228 1 57 PRO HG2 1 89 TYR QE . . 4.990 4.597 4.327 4.877 . 0 0 "[ . 1 . 2]" 1
1229 1 57 PRO HG3 1 60 LYS QB . . 4.400 3.167 2.676 4.333 . 0 0 "[ . 1 . 2]" 1
1230 1 57 PRO HG3 1 60 LYS QG . . 4.780 4.150 2.479 4.752 . 0 0 "[ . 1 . 2]" 1
1231 1 57 PRO HG3 1 63 SER HB2 . . 4.920 4.115 2.877 4.887 . 0 0 "[ . 1 . 2]" 1
1232 1 57 PRO HG3 1 63 SER HB3 . . 4.920 3.342 2.503 4.720 . 0 0 "[ . 1 . 2]" 1
1233 1 57 PRO HG3 1 89 TYR QE . . 4.430 3.214 2.969 3.584 . 0 0 "[ . 1 . 2]" 1
1234 1 58 LYS H 1 58 LYS QB . . 3.140 2.229 2.132 2.458 . 0 0 "[ . 1 . 2]" 1
1235 1 58 LYS H 1 58 LYS QG . . 4.030 3.592 2.145 4.035 0.005 6 0 "[ . 1 . 2]" 1
1236 1 58 LYS H 1 89 TYR HA . . 3.330 2.478 2.286 2.783 . 0 0 "[ . 1 . 2]" 1
1237 1 58 LYS H 1 89 TYR QD . . 4.590 4.457 4.241 4.593 0.003 13 0 "[ . 1 . 2]" 1
1238 1 58 LYS H 1 90 THR H . . 4.330 4.181 3.800 4.334 0.004 20 0 "[ . 1 . 2]" 1
1239 1 58 LYS HA 1 58 LYS QD . . 4.250 3.563 2.183 4.140 . 0 0 "[ . 1 . 2]" 1
1240 1 58 LYS HA 1 58 LYS QG . . 3.640 2.381 2.172 2.736 . 0 0 "[ . 1 . 2]" 1
1241 1 58 LYS HA 1 88 VAL MG1 . . 4.550 4.280 4.026 4.462 . 0 0 "[ . 1 . 2]" 1
1242 1 58 LYS QB 1 59 ASP H . . 3.830 2.884 2.682 3.139 . 0 0 "[ . 1 . 2]" 1
1243 1 58 LYS QB 1 88 VAL H . . 4.340 4.220 3.789 4.342 0.002 5 0 "[ . 1 . 2]" 1
1244 1 58 LYS QB 1 88 VAL MG1 . . 3.770 1.864 1.730 1.989 . 0 0 "[ . 1 . 2]" 1
1245 1 58 LYS QB 1 88 VAL MG2 . . 4.060 3.058 2.658 3.775 . 0 0 "[ . 1 . 2]" 1
1246 1 58 LYS QD 1 88 VAL MG1 . . 4.340 2.604 1.811 3.983 . 0 0 "[ . 1 . 2]" 1
1247 1 58 LYS QD 1 88 VAL MG2 . . 3.690 3.033 2.087 3.699 0.009 20 0 "[ . 1 . 2]" 1
1248 1 58 LYS QE 1 58 LYS QG . . 3.280 2.263 2.101 2.509 . 0 0 "[ . 1 . 2]" 1
1249 1 58 LYS QE 1 88 VAL MG1 . . 4.620 3.371 1.981 4.248 . 0 0 "[ . 1 . 2]" 1
1250 1 58 LYS QE 1 88 VAL MG2 . . 4.210 3.558 2.247 4.167 . 0 0 "[ . 1 . 2]" 1
1251 1 58 LYS QG 1 59 ASP H . . 4.600 4.205 3.866 4.387 . 0 0 "[ . 1 . 2]" 1
1252 1 59 ASP H 1 59 ASP HB2 . . 3.760 2.448 2.214 3.515 . 0 0 "[ . 1 . 2]" 1
1253 1 59 ASP H 1 59 ASP QB . . 3.280 2.313 2.163 2.804 . 0 0 "[ . 1 . 2]" 1
1254 1 59 ASP H 1 59 ASP HB3 . . 3.760 3.143 2.399 3.615 . 0 0 "[ . 1 . 2]" 1
1255 1 59 ASP H 1 60 LYS H . . 4.040 2.767 2.575 2.993 . 0 0 "[ . 1 . 2]" 1
1256 1 59 ASP QB 1 60 LYS QG . . 4.340 2.746 2.344 3.260 . 0 0 "[ . 1 . 2]" 1
1257 1 59 ASP HB2 1 60 LYS H . . 5.000 2.879 2.045 3.773 . 0 0 "[ . 1 . 2]" 1
1258 1 59 ASP HB2 1 60 LYS QG . . 4.970 3.655 2.520 4.717 . 0 0 "[ . 1 . 2]" 1
1259 1 59 ASP HB3 1 60 LYS H . . 5.000 2.752 1.896 3.702 . 0 0 "[ . 1 . 2]" 1
1260 1 59 ASP HB3 1 60 LYS QG . . 4.970 3.030 2.360 4.210 . 0 0 "[ . 1 . 2]" 1
1261 1 60 LYS H 1 60 LYS QG . . 4.210 2.577 1.969 3.117 . 0 0 "[ . 1 . 2]" 1
1262 1 60 LYS H 1 61 LYS H . . 4.520 4.472 4.338 4.602 0.082 13 0 "[ . 1 . 2]" 1
1263 1 60 LYS HA 1 60 LYS QD . . 3.990 2.488 2.005 3.750 . 0 0 "[ . 1 . 2]" 1
1264 1 60 LYS HA 1 60 LYS QE . . 4.690 3.838 1.981 4.476 . 0 0 "[ . 1 . 2]" 1
1265 1 60 LYS HA 1 60 LYS QG . . 3.730 2.783 2.465 3.447 . 0 0 "[ . 1 . 2]" 1
1266 1 60 LYS HA 1 61 LYS H . . 3.190 2.214 2.141 2.424 . 0 0 "[ . 1 . 2]" 1
1267 1 60 LYS HA 1 62 ASP H . . 4.450 3.825 3.596 4.287 . 0 0 "[ . 1 . 2]" 1
1268 1 60 LYS HA 1 63 SER H . . 5.160 4.796 4.382 5.165 0.005 4 0 "[ . 1 . 2]" 1
1269 1 60 LYS QB 1 61 LYS H . . 3.830 2.974 2.352 3.351 . 0 0 "[ . 1 . 2]" 1
1270 1 60 LYS QB 1 62 ASP H . . 4.830 2.956 2.490 3.483 . 0 0 "[ . 1 . 2]" 1
1271 1 60 LYS QB 1 63 SER H . . 4.600 2.576 2.365 2.820 . 0 0 "[ . 1 . 2]" 1
1272 1 60 LYS QB 1 63 SER QB . . 3.700 2.046 1.845 2.617 . 0 0 "[ . 1 . 2]" 1
1273 1 60 LYS HB2 1 61 LYS H . . 4.640 3.975 2.494 4.406 . 0 0 "[ . 1 . 2]" 1
1274 1 60 LYS HB2 1 63 SER HB2 . . 5.240 2.791 2.035 4.049 . 0 0 "[ . 1 . 2]" 1
1275 1 60 LYS HB2 1 63 SER HB3 . . 5.240 2.859 2.009 4.397 . 0 0 "[ . 1 . 2]" 1
1276 1 60 LYS HB3 1 61 LYS H . . 4.640 3.115 2.387 3.474 . 0 0 "[ . 1 . 2]" 1
1277 1 60 LYS HB3 1 63 SER HB2 . . 5.240 2.793 2.077 5.002 . 0 0 "[ . 1 . 2]" 1
1278 1 60 LYS HB3 1 63 SER HB3 . . 5.240 3.365 2.230 4.329 . 0 0 "[ . 1 . 2]" 1
1279 1 60 LYS QD 1 63 SER QB . . 5.340 3.482 2.570 4.543 . 0 0 "[ . 1 . 2]" 1
1280 1 60 LYS QE 1 60 LYS QG . . 3.220 2.219 2.078 2.601 . 0 0 "[ . 1 . 2]" 1
1281 1 60 LYS QE 1 63 SER QB . . 4.570 3.807 2.324 4.569 . 0 0 "[ . 1 . 2]" 1
1282 1 60 LYS QG 1 63 SER HB2 . . 4.880 3.000 2.334 4.806 . 0 0 "[ . 1 . 2]" 1
1283 1 60 LYS QG 1 63 SER QB . . 4.270 2.726 1.857 3.607 . 0 0 "[ . 1 . 2]" 1
1284 1 60 LYS QG 1 63 SER HB3 . . 4.880 3.316 1.950 4.515 . 0 0 "[ . 1 . 2]" 1
1285 1 61 LYS H 1 61 LYS QB . . 3.280 2.435 2.157 2.836 . 0 0 "[ . 1 . 2]" 1
1286 1 61 LYS H 1 61 LYS QD . . 5.160 3.881 1.862 4.855 . 0 0 "[ . 1 . 2]" 1
1287 1 61 LYS H 1 61 LYS QG . . 3.720 2.785 1.918 3.749 0.029 1 0 "[ . 1 . 2]" 1
1288 1 61 LYS H 1 62 ASP H . . 4.250 2.254 1.860 2.471 . 0 0 "[ . 1 . 2]" 1
1289 1 61 LYS HA 1 61 LYS QE . . 5.340 4.374 3.494 5.274 . 0 0 "[ . 1 . 2]" 1
1290 1 61 LYS HA 1 63 SER H . . 5.500 5.239 3.682 5.508 0.008 4 0 "[ . 1 . 2]" 1
1291 1 61 LYS QB 1 62 ASP H . . 4.370 3.164 2.441 3.865 . 0 0 "[ . 1 . 2]" 1
1292 1 61 LYS QE 1 61 LYS QG . . 3.480 2.234 2.124 2.441 . 0 0 "[ . 1 . 2]" 1
1293 1 62 ASP QB 1 63 SER H . . 3.520 2.197 1.957 3.228 . 0 0 "[ . 1 . 2]" 1
1294 1 62 ASP HB2 1 63 SER H . . 4.080 2.858 1.976 3.762 . 0 0 "[ . 1 . 2]" 1
1295 1 62 ASP HB3 1 63 SER H . . 4.080 2.759 2.019 4.089 0.009 1 0 "[ . 1 . 2]" 1
1296 1 63 SER H 1 63 SER HB2 . . 4.020 2.508 2.207 3.547 . 0 0 "[ . 1 . 2]" 1
1297 1 63 SER H 1 63 SER QB . . 3.300 2.355 2.160 2.780 . 0 0 "[ . 1 . 2]" 1
1298 1 63 SER H 1 63 SER HB3 . . 4.020 3.135 2.263 3.637 . 0 0 "[ . 1 . 2]" 1
1299 1 63 SER H 1 64 PRO QD . . 4.930 3.780 3.727 4.101 . 0 0 "[ . 1 . 2]" 1
1300 1 63 SER HA 1 64 PRO HD2 . . 3.280 1.917 1.911 1.938 . 0 0 "[ . 1 . 2]" 1
1301 1 63 SER HA 1 64 PRO HD3 . . 3.280 2.549 2.374 2.601 . 0 0 "[ . 1 . 2]" 1
1302 1 63 SER HA 1 64 PRO QG . . 4.580 3.781 3.766 3.793 . 0 0 "[ . 1 . 2]" 1
1303 1 64 PRO HA 1 65 VAL H . . 2.790 2.530 2.391 2.627 . 0 0 "[ . 1 . 2]" 1
1304 1 64 PRO HA 1 65 VAL HA . . 4.900 4.492 4.442 4.557 . 0 0 "[ . 1 . 2]" 1
1305 1 64 PRO HA 1 65 VAL HB . . 4.690 4.522 4.422 4.631 . 0 0 "[ . 1 . 2]" 1
1306 1 64 PRO HA 1 65 VAL MG2 . . 3.770 3.471 3.170 3.674 . 0 0 "[ . 1 . 2]" 1
1307 1 64 PRO QB 1 65 VAL H . . 3.240 2.267 2.072 2.561 . 0 0 "[ . 1 . 2]" 1
1308 1 64 PRO HB2 1 65 VAL H . . 3.950 2.310 2.097 2.637 . 0 0 "[ . 1 . 2]" 1
1309 1 64 PRO HB3 1 65 VAL H . . 3.950 3.311 3.219 3.466 . 0 0 "[ . 1 . 2]" 1
1310 1 65 VAL H 1 65 VAL HB . . 3.160 2.720 2.595 2.876 . 0 0 "[ . 1 . 2]" 1
1311 1 65 VAL H 1 65 VAL MG1 . . 4.490 3.854 3.769 3.931 . 0 0 "[ . 1 . 2]" 1
1312 1 65 VAL H 1 65 VAL MG2 . . 3.230 3.031 2.852 3.206 . 0 0 "[ . 1 . 2]" 1
1313 1 65 VAL HA 1 65 VAL MG1 . . 3.410 2.395 2.270 2.488 . 0 0 "[ . 1 . 2]" 1
1314 1 65 VAL HA 1 65 VAL MG2 . . 3.400 2.324 2.166 2.462 . 0 0 "[ . 1 . 2]" 1
1315 1 65 VAL HA 1 66 ARG H . . 3.000 2.167 2.141 2.250 . 0 0 "[ . 1 . 2]" 1
1316 1 65 VAL HA 1 66 ARG QB . . 4.410 4.275 4.152 4.420 0.010 5 0 "[ . 1 . 2]" 1
1317 1 65 VAL HB 1 67 THR MG . . 3.580 3.362 2.966 3.578 . 0 0 "[ . 1 . 2]" 1
1318 1 65 VAL MG1 1 66 ARG H . . 3.410 2.440 1.964 2.932 . 0 0 "[ . 1 . 2]" 1
1319 1 65 VAL MG1 1 81 TYR HA . . 5.030 4.214 3.951 4.404 . 0 0 "[ . 1 . 2]" 1
1320 1 65 VAL MG1 1 81 TYR HB2 . . 3.450 2.895 2.703 3.120 . 0 0 "[ . 1 . 2]" 1
1321 1 65 VAL MG1 1 81 TYR HB3 . . 4.340 4.202 3.967 4.330 . 0 0 "[ . 1 . 2]" 1
1322 1 65 VAL MG1 1 81 TYR QD . . 3.740 3.473 3.235 3.737 . 0 0 "[ . 1 . 2]" 1
1323 1 65 VAL MG1 1 82 THR H . . 3.870 3.354 2.964 3.617 . 0 0 "[ . 1 . 2]" 1
1324 1 65 VAL MG1 1 83 PRO HA . . 3.460 2.766 2.266 2.994 . 0 0 "[ . 1 . 2]" 1
1325 1 65 VAL MG1 1 84 LYS H . . 4.370 3.960 3.408 4.350 . 0 0 "[ . 1 . 2]" 1
1326 1 65 VAL MG2 1 66 ARG H . . 4.160 3.949 3.718 4.150 . 0 0 "[ . 1 . 2]" 1
1327 1 65 VAL MG2 1 83 PRO HA . . 3.680 3.509 3.160 3.682 0.002 13 0 "[ . 1 . 2]" 1
1328 1 65 VAL MG2 1 84 LYS H . . 4.400 3.951 3.422 4.226 . 0 0 "[ . 1 . 2]" 1
1329 1 65 VAL MG2 1 89 TYR QD . . 3.720 2.362 1.973 2.685 . 0 0 "[ . 1 . 2]" 1
1330 1 65 VAL MG2 1 89 TYR QE . . 3.370 1.978 1.847 2.261 . 0 0 "[ . 1 . 2]" 1
1331 1 66 ARG H 1 66 ARG QB . . 3.160 2.280 2.168 2.473 . 0 0 "[ . 1 . 2]" 1
1332 1 66 ARG H 1 66 ARG QG . . 3.400 2.664 2.140 3.380 . 0 0 "[ . 1 . 2]" 1
1333 1 66 ARG HA 1 66 ARG QD . . 4.260 3.358 2.226 4.259 . 0 0 "[ . 1 . 2]" 1
1334 1 66 ARG HA 1 66 ARG HG2 . . 3.970 2.731 2.273 3.908 . 0 0 "[ . 1 . 2]" 1
1335 1 66 ARG HA 1 66 ARG QG . . 3.440 2.480 2.171 3.344 . 0 0 "[ . 1 . 2]" 1
1336 1 66 ARG HA 1 66 ARG HG3 . . 3.970 3.263 2.192 3.841 . 0 0 "[ . 1 . 2]" 1
1337 1 66 ARG HA 1 67 THR H . . 3.430 2.153 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
1338 1 66 ARG QB 1 66 ARG QD . . 3.060 2.167 2.038 2.568 . 0 0 "[ . 1 . 2]" 1
1339 1 66 ARG QB 1 67 THR H . . 4.460 3.333 2.985 3.665 . 0 0 "[ . 1 . 2]" 1
1340 1 66 ARG QG 1 67 THR H . . 4.520 4.150 3.768 4.508 . 0 0 "[ . 1 . 2]" 1
1341 1 67 THR H 1 67 THR MG . . 4.070 3.167 2.841 3.348 . 0 0 "[ . 1 . 2]" 1
1342 1 67 THR HA 1 67 THR MG . . 3.360 2.251 2.094 2.406 . 0 0 "[ . 1 . 2]" 1
1343 1 67 THR HA 1 68 MET H . . 2.900 2.386 2.205 2.492 . 0 0 "[ . 1 . 2]" 1
1344 1 67 THR HA 1 81 TYR HB2 . . 4.690 3.488 3.201 3.870 . 0 0 "[ . 1 . 2]" 1
1345 1 67 THR HA 1 81 TYR HB3 . . 4.620 3.441 3.125 3.810 . 0 0 "[ . 1 . 2]" 1
1346 1 67 THR HB 1 68 MET H . . 3.310 2.455 2.209 2.995 . 0 0 "[ . 1 . 2]" 1
1347 1 67 THR HB 1 68 MET HA . . 4.400 4.218 4.084 4.367 . 0 0 "[ . 1 . 2]" 1
1348 1 67 THR HB 1 79 ILE MG . . 4.340 3.794 3.536 4.201 . 0 0 "[ . 1 . 2]" 1
1349 1 67 THR HB 1 81 TYR HB3 . . 5.030 4.005 3.597 4.253 . 0 0 "[ . 1 . 2]" 1
1350 1 67 THR MG 1 68 MET H . . 3.730 3.462 3.223 3.653 . 0 0 "[ . 1 . 2]" 1
1351 1 67 THR MG 1 81 TYR HA . . 3.800 3.147 2.913 3.413 . 0 0 "[ . 1 . 2]" 1
1352 1 67 THR MG 1 81 TYR HB2 . . 3.700 2.443 2.220 2.709 . 0 0 "[ . 1 . 2]" 1
1353 1 67 THR MG 1 81 TYR HB3 . . 3.480 2.310 2.004 2.542 . 0 0 "[ . 1 . 2]" 1
1354 1 67 THR MG 1 81 TYR QD . . 3.960 3.869 3.669 3.967 0.007 10 0 "[ . 1 . 2]" 1
1355 1 67 THR MG 1 82 THR H . . 4.460 3.980 3.768 4.320 . 0 0 "[ . 1 . 2]" 1
1356 1 68 MET H 1 68 MET HB2 . . 3.770 2.941 2.673 3.073 . 0 0 "[ . 1 . 2]" 1
1357 1 68 MET H 1 68 MET QB . . 3.280 2.664 2.542 2.761 . 0 0 "[ . 1 . 2]" 1
1358 1 68 MET H 1 68 MET HB3 . . 3.770 3.073 2.854 3.720 . 0 0 "[ . 1 . 2]" 1
1359 1 68 MET H 1 68 MET QG . . 4.470 4.227 4.005 4.331 . 0 0 "[ . 1 . 2]" 1
1360 1 68 MET H 1 69 VAL H . . 4.590 4.311 3.944 4.442 . 0 0 "[ . 1 . 2]" 1
1361 1 68 MET H 1 79 ILE MG . . 4.560 3.457 3.099 3.813 . 0 0 "[ . 1 . 2]" 1
1362 1 68 MET H 1 80 SER H . . 3.620 3.001 2.783 3.245 . 0 0 "[ . 1 . 2]" 1
1363 1 68 MET H 1 81 TYR HA . . 3.700 3.588 3.425 3.700 . 0 0 "[ . 1 . 2]" 1
1364 1 68 MET H 1 81 TYR HB3 . . 4.590 4.107 3.850 4.430 . 0 0 "[ . 1 . 2]" 1
1365 1 68 MET HA 1 68 MET QG . . 4.010 2.357 2.167 2.813 . 0 0 "[ . 1 . 2]" 1
1366 1 68 MET HA 1 69 VAL H . . 3.030 2.214 2.150 2.366 . 0 0 "[ . 1 . 2]" 1
1367 1 68 MET HA 1 69 VAL HB . . 4.750 4.513 4.338 4.694 . 0 0 "[ . 1 . 2]" 1
1368 1 68 MET QB 1 69 VAL H . . 3.770 3.507 3.172 3.685 . 0 0 "[ . 1 . 2]" 1
1369 1 68 MET QB 1 80 SER H . . 4.190 3.150 2.632 3.783 . 0 0 "[ . 1 . 2]" 1
1370 1 68 MET QB 1 80 SER QB . . 3.710 2.707 1.972 3.350 . 0 0 "[ . 1 . 2]" 1
1371 1 68 MET HB2 1 69 VAL H . . 4.550 4.279 4.034 4.541 . 0 0 "[ . 1 . 2]" 1
1372 1 68 MET HB2 1 80 SER H . . 4.900 4.387 3.860 4.889 . 0 0 "[ . 1 . 2]" 1
1373 1 68 MET HB2 1 80 SER HB2 . . 4.810 4.223 2.987 4.812 0.002 3 0 "[ . 1 . 2]" 1
1374 1 68 MET HB2 1 80 SER HB3 . . 4.810 4.345 3.095 4.816 0.006 20 0 "[ . 1 . 2]" 1
1375 1 68 MET HB3 1 69 VAL H . . 4.550 3.728 3.317 3.946 . 0 0 "[ . 1 . 2]" 1
1376 1 68 MET HB3 1 80 SER H . . 4.900 3.257 2.679 4.562 . 0 0 "[ . 1 . 2]" 1
1377 1 68 MET HB3 1 80 SER HB2 . . 4.810 3.319 2.015 4.387 . 0 0 "[ . 1 . 2]" 1
1378 1 68 MET HB3 1 80 SER HB3 . . 4.810 3.560 2.335 4.565 . 0 0 "[ . 1 . 2]" 1
1379 1 68 MET QG 1 69 VAL H . . 4.160 2.721 2.162 3.990 . 0 0 "[ . 1 . 2]" 1
1380 1 69 VAL H 1 69 VAL HB . . 3.460 3.133 2.530 3.457 . 0 0 "[ . 1 . 2]" 1
1381 1 69 VAL H 1 69 VAL QG . . 3.400 2.201 1.909 2.944 . 0 0 "[ . 1 . 2]" 1
1382 1 69 VAL H 1 70 GLN H . . 4.810 4.068 3.648 4.438 . 0 0 "[ . 1 . 2]" 1
1383 1 69 VAL HA 1 70 GLN H . . 3.530 2.161 2.140 2.287 . 0 0 "[ . 1 . 2]" 1
1384 1 69 VAL HA 1 70 GLN HB2 . . 4.590 4.385 4.276 4.578 . 0 0 "[ . 1 . 2]" 1
1385 1 69 VAL HA 1 79 ILE MD . . 5.050 4.895 4.540 5.036 . 0 0 "[ . 1 . 2]" 1
1386 1 69 VAL HA 1 79 ILE HG12 . . 5.010 3.489 3.123 3.650 . 0 0 "[ . 1 . 2]" 1
1387 1 69 VAL HA 1 79 ILE QG . . 4.380 3.268 2.940 3.410 . 0 0 "[ . 1 . 2]" 1
1388 1 69 VAL HA 1 79 ILE HG13 . . 5.010 3.955 3.586 4.275 . 0 0 "[ . 1 . 2]" 1
1389 1 69 VAL HA 1 80 SER H . . 4.770 3.788 3.414 4.194 . 0 0 "[ . 1 . 2]" 1
1390 1 69 VAL QG 1 70 GLN H . . 3.900 2.813 2.497 3.268 . 0 0 "[ . 1 . 2]" 1
1391 1 69 VAL QG 1 71 ASP QB . . 4.050 3.511 3.118 4.045 . 0 0 "[ . 1 . 2]" 1
1392 1 69 VAL QG 1 77 TYR HB3 . . 4.020 3.611 3.171 3.989 . 0 0 "[ . 1 . 2]" 1
1393 1 69 VAL QG 1 77 TYR QD . . 3.410 3.095 2.733 3.301 . 0 0 "[ . 1 . 2]" 1
1394 1 69 VAL QG 1 77 TYR QE . . 4.400 4.039 3.700 4.249 . 0 0 "[ . 1 . 2]" 1
1395 1 69 VAL QG 1 78 TYR H . . 4.320 4.021 3.633 4.315 . 0 0 "[ . 1 . 2]" 1
1396 1 69 VAL QG 1 79 ILE QG . . 3.580 2.687 2.110 3.184 . 0 0 "[ . 1 . 2]" 1
1397 1 70 GLN H 1 70 GLN HB2 . . 3.960 2.558 2.291 2.776 . 0 0 "[ . 1 . 2]" 1
1398 1 70 GLN H 1 70 GLN HB3 . . 4.080 2.839 2.654 3.522 . 0 0 "[ . 1 . 2]" 1
1399 1 70 GLN H 1 70 GLN QG . . 4.490 4.033 3.249 4.235 . 0 0 "[ . 1 . 2]" 1
1400 1 70 GLN H 1 71 ASP H . . 5.080 4.126 3.797 4.374 . 0 0 "[ . 1 . 2]" 1
1401 1 70 GLN H 1 78 TYR H . . 3.920 3.603 3.039 3.829 . 0 0 "[ . 1 . 2]" 1
1402 1 70 GLN H 1 78 TYR QB . . 4.700 3.239 2.649 3.581 . 0 0 "[ . 1 . 2]" 1
1403 1 70 GLN HA 1 70 GLN QG . . 3.790 2.394 2.136 2.883 . 0 0 "[ . 1 . 2]" 1
1404 1 70 GLN HA 1 71 ASP H . . 3.220 2.203 2.140 2.329 . 0 0 "[ . 1 . 2]" 1
1405 1 70 GLN HB2 1 71 ASP H . . 4.790 4.578 4.366 4.656 . 0 0 "[ . 1 . 2]" 1
1406 1 70 GLN HB2 1 78 TYR H . . 5.110 4.838 3.539 5.082 . 0 0 "[ . 1 . 2]" 1
1407 1 70 GLN HB2 1 78 TYR QB . . 4.090 2.997 2.028 3.301 . 0 0 "[ . 1 . 2]" 1
1408 1 70 GLN HB2 1 78 TYR QD . . 4.190 3.332 2.637 3.726 . 0 0 "[ . 1 . 2]" 1
1409 1 70 GLN HB3 1 71 ASP H . . 4.700 4.241 3.628 4.367 . 0 0 "[ . 1 . 2]" 1
1410 1 70 GLN HB3 1 78 TYR H . . 4.000 3.649 3.079 3.980 . 0 0 "[ . 1 . 2]" 1
1411 1 70 GLN HB3 1 78 TYR QB . . 3.780 2.165 1.983 2.716 . 0 0 "[ . 1 . 2]" 1
1412 1 70 GLN HB3 1 78 TYR QD . . 4.230 3.343 2.980 3.683 . 0 0 "[ . 1 . 2]" 1
1413 1 70 GLN QG 1 71 ASP H . . 3.880 3.551 2.735 3.872 . 0 0 "[ . 1 . 2]" 1
1414 1 70 GLN QG 1 78 TYR H . . 5.500 5.187 4.596 5.486 . 0 0 "[ . 1 . 2]" 1
1415 1 71 ASP H 1 71 ASP HB2 . . 3.680 3.129 2.270 3.606 . 0 0 "[ . 1 . 2]" 1
1416 1 71 ASP H 1 71 ASP HB3 . . 3.680 2.817 2.365 3.564 . 0 0 "[ . 1 . 2]" 1
1417 1 71 ASP HA 1 72 ASN H . . 3.530 2.153 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
1418 1 71 ASP HA 1 72 ASN HB2 . . 5.430 4.398 4.234 4.777 . 0 0 "[ . 1 . 2]" 1
1419 1 71 ASP HA 1 73 LYS H . . 4.150 3.664 3.367 3.870 . 0 0 "[ . 1 . 2]" 1
1420 1 71 ASP HA 1 77 TYR HA . . 4.330 4.106 3.489 4.321 . 0 0 "[ . 1 . 2]" 1
1421 1 71 ASP HA 1 77 TYR QD . . 4.000 2.417 2.099 2.727 . 0 0 "[ . 1 . 2]" 1
1422 1 71 ASP HA 1 77 TYR QE . . 4.500 2.793 2.290 3.257 . 0 0 "[ . 1 . 2]" 1
1423 1 71 ASP HA 1 78 TYR H . . 4.630 4.216 3.626 4.560 . 0 0 "[ . 1 . 2]" 1
1424 1 71 ASP QB 1 77 TYR QD . . 3.970 3.726 2.918 3.970 0.000 5 0 "[ . 1 . 2]" 1
1425 1 71 ASP QB 1 77 TYR QE . . 3.650 2.848 2.287 3.402 . 0 0 "[ . 1 . 2]" 1
1426 1 72 ASN H 1 72 ASN HB2 . . 3.880 2.432 2.284 2.676 . 0 0 "[ . 1 . 2]" 1
1427 1 72 ASN H 1 72 ASN QD . . 4.510 3.214 2.685 3.671 . 0 0 "[ . 1 . 2]" 1
1428 1 72 ASN H 1 73 LYS H . . 3.740 2.017 1.811 2.218 . 0 0 "[ . 1 . 2]" 1
1429 1 72 ASN H 1 74 ASP H . . 4.840 4.137 3.697 4.382 . 0 0 "[ . 1 . 2]" 1
1430 1 72 ASN H 1 77 TYR HA . . 4.120 3.364 3.181 3.682 . 0 0 "[ . 1 . 2]" 1
1431 1 72 ASN H 1 77 TYR QD . . 5.110 3.421 2.867 3.745 . 0 0 "[ . 1 . 2]" 1
1432 1 72 ASN H 1 78 TYR H . . 4.640 4.390 4.030 4.638 . 0 0 "[ . 1 . 2]" 1
1433 1 72 ASN HA 1 74 ASP H . . 4.860 4.533 4.232 4.790 . 0 0 "[ . 1 . 2]" 1
1434 1 72 ASN HB2 1 73 LYS H . . 4.670 3.012 2.703 3.473 . 0 0 "[ . 1 . 2]" 1
1435 1 72 ASN HB2 1 74 ASP H . . 4.460 3.157 2.762 3.417 . 0 0 "[ . 1 . 2]" 1
1436 1 72 ASN HB2 1 76 THR H . . 4.870 4.225 3.495 4.660 . 0 0 "[ . 1 . 2]" 1
1437 1 72 ASN HB2 1 77 TYR HA . . 4.590 3.150 2.796 3.594 . 0 0 "[ . 1 . 2]" 1
1438 1 72 ASN HB3 1 73 LYS H . . 4.870 3.725 3.385 4.228 . 0 0 "[ . 1 . 2]" 1
1439 1 72 ASN HB3 1 74 ASP H . . 4.650 3.132 2.821 3.731 . 0 0 "[ . 1 . 2]" 1
1440 1 72 ASN HB3 1 76 THR H . . 5.190 4.695 3.826 5.187 . 0 0 "[ . 1 . 2]" 1
1441 1 72 ASN HB3 1 77 TYR HA . . 5.500 4.849 4.488 5.348 . 0 0 "[ . 1 . 2]" 1
1442 1 72 ASN QD 1 77 TYR HA . . 3.530 2.666 2.084 3.400 . 0 0 "[ . 1 . 2]" 1
1443 1 73 LYS H 1 73 LYS HD2 . . 4.490 3.317 2.400 4.383 . 0 0 "[ . 1 . 2]" 1
1444 1 73 LYS H 1 73 LYS QD . . 3.940 2.875 2.275 3.746 . 0 0 "[ . 1 . 2]" 1
1445 1 73 LYS H 1 73 LYS HD3 . . 4.490 3.516 2.382 4.411 . 0 0 "[ . 1 . 2]" 1
1446 1 73 LYS H 1 73 LYS HG2 . . 4.420 3.589 2.382 4.413 . 0 0 "[ . 1 . 2]" 1
1447 1 73 LYS H 1 73 LYS QG . . 3.790 2.855 2.365 3.370 . 0 0 "[ . 1 . 2]" 1
1448 1 73 LYS H 1 73 LYS HG3 . . 4.420 3.626 2.844 4.438 0.018 20 0 "[ . 1 . 2]" 1
1449 1 73 LYS H 1 74 ASP H . . 3.760 2.778 2.625 3.083 . 0 0 "[ . 1 . 2]" 1
1450 1 73 LYS H 1 75 GLY H . . 4.760 4.476 3.900 4.760 . 0 0 "[ . 1 . 2]" 1
1451 1 73 LYS HA 1 73 LYS HD2 . . 4.420 3.260 2.115 4.277 . 0 0 "[ . 1 . 2]" 1
1452 1 73 LYS HA 1 73 LYS QD . . 3.800 2.968 2.098 3.497 . 0 0 "[ . 1 . 2]" 1
1453 1 73 LYS HA 1 73 LYS HD3 . . 4.420 3.732 2.487 4.243 . 0 0 "[ . 1 . 2]" 1
1454 1 73 LYS HA 1 73 LYS QG . . 3.720 2.665 2.276 3.472 . 0 0 "[ . 1 . 2]" 1
1455 1 73 LYS QB 1 73 LYS QE . . 3.960 3.166 1.998 3.775 . 0 0 "[ . 1 . 2]" 1
1456 1 73 LYS HB2 1 73 LYS QE . . 4.620 3.727 2.019 4.473 . 0 0 "[ . 1 . 2]" 1
1457 1 73 LYS HB3 1 73 LYS QE . . 4.620 3.618 2.194 4.543 . 0 0 "[ . 1 . 2]" 1
1458 1 73 LYS QD 1 73 LYS QG . . 2.370 2.053 2.023 2.082 . 0 0 "[ . 1 . 2]" 1
1459 1 73 LYS QE 1 73 LYS HG2 . . 3.920 2.696 2.103 3.284 . 0 0 "[ . 1 . 2]" 1
1460 1 73 LYS QE 1 73 LYS HG3 . . 3.920 2.576 2.071 3.287 . 0 0 "[ . 1 . 2]" 1
1461 1 74 ASP H 1 75 GLY H . . 3.180 2.415 1.813 2.841 . 0 0 "[ . 1 . 2]" 1
1462 1 74 ASP H 1 76 THR H . . 3.650 3.078 2.855 3.437 . 0 0 "[ . 1 . 2]" 1
1463 1 74 ASP HA 1 76 THR H . . 5.060 4.518 4.213 4.982 . 0 0 "[ . 1 . 2]" 1
1464 1 75 GLY H 1 76 THR H . . 3.370 2.688 1.889 2.989 . 0 0 "[ . 1 . 2]" 1
1465 1 76 THR H 1 76 THR MG . . 3.560 3.042 2.852 3.309 . 0 0 "[ . 1 . 2]" 1
1466 1 76 THR H 1 77 TYR H . . 4.780 4.404 4.247 4.461 . 0 0 "[ . 1 . 2]" 1
1467 1 76 THR HA 1 76 THR MG . . 3.390 2.292 2.113 2.435 . 0 0 "[ . 1 . 2]" 1
1468 1 76 THR HA 1 77 TYR H . . 3.080 2.369 2.151 2.562 . 0 0 "[ . 1 . 2]" 1
1469 1 76 THR HA 1 77 TYR QD . . 4.160 3.255 2.966 3.604 . 0 0 "[ . 1 . 2]" 1
1470 1 76 THR HB 1 77 TYR H . . 3.480 2.556 2.066 3.301 . 0 0 "[ . 1 . 2]" 1
1471 1 76 THR HB 1 77 TYR HA . . 4.870 4.529 4.331 4.794 . 0 0 "[ . 1 . 2]" 1
1472 1 76 THR MG 1 77 TYR H . . 3.960 3.708 3.507 3.936 . 0 0 "[ . 1 . 2]" 1
1473 1 77 TYR H 1 77 TYR HB2 . . 4.000 2.499 2.328 2.688 . 0 0 "[ . 1 . 2]" 1
1474 1 77 TYR H 1 77 TYR QD . . 3.610 2.920 2.439 3.256 . 0 0 "[ . 1 . 2]" 1
1475 1 77 TYR HA 1 77 TYR QD . . 4.410 3.044 2.964 3.108 . 0 0 "[ . 1 . 2]" 1
1476 1 77 TYR HA 1 78 TYR H . . 2.940 2.389 2.292 2.561 . 0 0 "[ . 1 . 2]" 1
1477 1 77 TYR HB2 1 78 TYR H . . 4.280 3.802 3.558 4.013 . 0 0 "[ . 1 . 2]" 1
1478 1 77 TYR HB2 1 78 TYR HA . . 5.500 4.944 4.844 5.067 . 0 0 "[ . 1 . 2]" 1
1479 1 77 TYR HB2 1 79 ILE MD . . 4.020 3.594 3.339 3.852 . 0 0 "[ . 1 . 2]" 1
1480 1 77 TYR HB3 1 78 TYR H . . 3.990 2.480 2.106 2.746 . 0 0 "[ . 1 . 2]" 1
1481 1 77 TYR HB3 1 78 TYR HA . . 4.650 4.353 4.184 4.444 . 0 0 "[ . 1 . 2]" 1
1482 1 77 TYR HB3 1 79 ILE MD . . 4.200 3.654 3.323 3.958 . 0 0 "[ . 1 . 2]" 1
1483 1 77 TYR QD 1 77 TYR HH . . 4.870 4.312 4.243 4.352 . 0 0 "[ . 1 . 2]" 1
1484 1 77 TYR QD 1 78 TYR H . . 4.680 3.435 3.128 3.744 . 0 0 "[ . 1 . 2]" 1
1485 1 77 TYR QD 1 78 TYR QB . . 5.500 5.247 5.019 5.496 . 0 0 "[ . 1 . 2]" 1
1486 1 78 TYR H 1 78 TYR QB . . 3.290 2.534 2.488 2.638 . 0 0 "[ . 1 . 2]" 1
1487 1 78 TYR H 1 78 TYR QD . . 4.340 4.315 4.265 4.352 0.012 3 0 "[ . 1 . 2]" 1
1488 1 78 TYR H 1 79 ILE H . . 4.190 4.035 3.856 4.167 . 0 0 "[ . 1 . 2]" 1
1489 1 78 TYR HA 1 78 TYR QD . . 3.340 2.113 2.000 2.295 . 0 0 "[ . 1 . 2]" 1
1490 1 78 TYR HA 1 78 TYR QE . . 4.360 4.229 4.168 4.354 . 0 0 "[ . 1 . 2]" 1
1491 1 78 TYR HA 1 79 ILE H . . 3.190 2.175 2.150 2.220 . 0 0 "[ . 1 . 2]" 1
1492 1 78 TYR HA 1 79 ILE HB . . 4.900 4.698 4.616 4.762 . 0 0 "[ . 1 . 2]" 1
1493 1 78 TYR HA 1 79 ILE MD . . 5.500 4.803 4.705 4.959 . 0 0 "[ . 1 . 2]" 1
1494 1 78 TYR QB 1 79 ILE H . . 4.230 3.917 3.858 3.976 . 0 0 "[ . 1 . 2]" 1
1495 1 78 TYR QD 1 79 ILE H . . 3.900 3.706 3.517 3.827 . 0 0 "[ . 1 . 2]" 1
1496 1 79 ILE H 1 79 ILE HB . . 3.390 2.559 2.496 2.659 . 0 0 "[ . 1 . 2]" 1
1497 1 79 ILE H 1 79 ILE MD . . 4.210 3.505 3.287 3.675 . 0 0 "[ . 1 . 2]" 1
1498 1 79 ILE H 1 79 ILE HG12 . . 4.440 4.061 3.859 4.212 . 0 0 "[ . 1 . 2]" 1
1499 1 79 ILE H 1 79 ILE QG . . 3.810 2.653 2.422 2.824 . 0 0 "[ . 1 . 2]" 1
1500 1 79 ILE H 1 79 ILE HG13 . . 4.440 2.690 2.447 2.869 . 0 0 "[ . 1 . 2]" 1
1501 1 79 ILE H 1 79 ILE MG . . 3.950 3.815 3.781 3.858 . 0 0 "[ . 1 . 2]" 1
1502 1 79 ILE H 1 80 SER H . . 4.570 4.502 4.358 4.578 0.008 4 0 "[ . 1 . 2]" 1
1503 1 79 ILE HA 1 79 ILE MD . . 4.280 3.881 3.845 3.908 . 0 0 "[ . 1 . 2]" 1
1504 1 79 ILE HA 1 79 ILE MG . . 3.640 2.338 2.284 2.430 . 0 0 "[ . 1 . 2]" 1
1505 1 79 ILE HA 1 80 SER H . . 3.210 2.221 2.144 2.290 . 0 0 "[ . 1 . 2]" 1
1506 1 79 ILE MD 1 79 ILE MG . . 3.190 2.323 2.174 2.438 . 0 0 "[ . 1 . 2]" 1
1507 1 79 ILE QG 1 79 ILE MG . . 3.040 2.135 2.042 2.218 . 0 0 "[ . 1 . 2]" 1
1508 1 79 ILE QG 1 80 SER H . . 4.490 4.004 3.875 4.125 . 0 0 "[ . 1 . 2]" 1
1509 1 79 ILE HG12 1 79 ILE MG . . 3.490 2.172 2.069 2.264 . 0 0 "[ . 1 . 2]" 1
1510 1 79 ILE HG13 1 79 ILE MG . . 3.490 3.151 3.135 3.177 . 0 0 "[ . 1 . 2]" 1
1511 1 79 ILE MG 1 80 SER H . . 3.680 2.049 1.887 2.448 . 0 0 "[ . 1 . 2]" 1
1512 1 79 ILE MG 1 80 SER HA . . 4.810 3.436 3.257 3.605 . 0 0 "[ . 1 . 2]" 1
1513 1 79 ILE MG 1 81 TYR QD . . 4.280 3.254 3.050 3.387 . 0 0 "[ . 1 . 2]" 1
1514 1 80 SER H 1 80 SER HB2 . . 4.150 3.214 2.605 3.967 . 0 0 "[ . 1 . 2]" 1
1515 1 80 SER H 1 80 SER QB . . 3.370 2.801 2.553 3.100 . 0 0 "[ . 1 . 2]" 1
1516 1 80 SER H 1 80 SER HB3 . . 4.150 3.440 2.953 3.896 . 0 0 "[ . 1 . 2]" 1
1517 1 80 SER HA 1 81 TYR H . . 3.000 2.204 2.157 2.289 . 0 0 "[ . 1 . 2]" 1
1518 1 80 SER QB 1 81 TYR H . . 4.290 3.079 2.726 3.601 . 0 0 "[ . 1 . 2]" 1
1519 1 81 TYR H 1 81 TYR QD . . 3.690 3.096 2.747 3.316 . 0 0 "[ . 1 . 2]" 1
1520 1 81 TYR H 1 82 THR H . . 4.580 4.366 4.315 4.433 . 0 0 "[ . 1 . 2]" 1
1521 1 81 TYR HA 1 81 TYR QD . . 4.490 3.696 3.639 3.741 . 0 0 "[ . 1 . 2]" 1
1522 1 81 TYR HA 1 82 THR H . . 3.270 2.257 2.204 2.304 . 0 0 "[ . 1 . 2]" 1
1523 1 81 TYR HA 1 82 THR HB . . 4.830 4.621 4.513 4.753 . 0 0 "[ . 1 . 2]" 1
1524 1 81 TYR HB2 1 82 THR H . . 4.080 2.851 2.718 3.028 . 0 0 "[ . 1 . 2]" 1
1525 1 81 TYR HB3 1 82 THR H . . 4.160 4.063 3.970 4.162 0.002 3 0 "[ . 1 . 2]" 1
1526 1 81 TYR QD 1 81 TYR HH . . 4.880 4.291 4.242 4.353 . 0 0 "[ . 1 . 2]" 1
1527 1 81 TYR QD 1 82 THR H . . 4.540 3.351 2.946 3.734 . 0 0 "[ . 1 . 2]" 1
1528 1 81 TYR QD 1 83 PRO HB3 . . 4.580 4.015 3.728 4.251 . 0 0 "[ . 1 . 2]" 1
1529 1 81 TYR QD 1 83 PRO HD2 . . 3.830 3.684 3.506 3.832 0.002 4 0 "[ . 1 . 2]" 1
1530 1 81 TYR QD 1 83 PRO HD3 . . 4.320 2.136 1.992 2.366 . 0 0 "[ . 1 . 2]" 1
1531 1 81 TYR QD 1 83 PRO HG3 . . 4.430 4.077 3.673 4.436 0.006 17 0 "[ . 1 . 2]" 1
1532 1 81 TYR QD 1 91 VAL MG2 . . 4.680 4.014 3.670 4.281 . 0 0 "[ . 1 . 2]" 1
1533 1 81 TYR QE 1 83 PRO HB2 . . 5.500 5.318 5.085 5.497 . 0 0 "[ . 1 . 2]" 1
1534 1 81 TYR QE 1 83 PRO HD2 . . 4.310 3.986 3.741 4.314 0.004 6 0 "[ . 1 . 2]" 1
1535 1 81 TYR QE 1 83 PRO HD3 . . 4.800 2.531 2.153 2.980 . 0 0 "[ . 1 . 2]" 1
1536 1 81 TYR QE 1 83 PRO HG2 . . 4.830 4.673 4.462 4.831 0.001 1 0 "[ . 1 . 2]" 1
1537 1 81 TYR QE 1 83 PRO HG3 . . 3.940 3.156 2.943 3.357 . 0 0 "[ . 1 . 2]" 1
1538 1 81 TYR QE 1 91 VAL MG2 . . 3.990 3.505 3.003 3.924 . 0 0 "[ . 1 . 2]" 1
1539 1 81 TYR QE 1 107 VAL HB . . 5.500 5.014 4.689 5.335 . 0 0 "[ . 1 . 2]" 1
1540 1 81 TYR QE 1 107 VAL MG1 . . 4.190 3.318 3.061 3.610 . 0 0 "[ . 1 . 2]" 1
1541 1 81 TYR QE 1 107 VAL MG2 . . 4.170 3.882 3.560 4.170 0.000 10 0 "[ . 1 . 2]" 1
1542 1 81 TYR HH 1 91 VAL MG2 . . 5.130 3.925 3.108 4.975 . 0 0 "[ . 1 . 2]" 1
1543 1 81 TYR HH 1 107 VAL MG1 . . 4.150 2.357 1.974 3.150 . 0 0 "[ . 1 . 2]" 1
1544 1 81 TYR HH 1 107 VAL MG2 . . 4.100 2.968 2.251 3.743 . 0 0 "[ . 1 . 2]" 1
1545 1 82 THR H 1 82 THR HB . . 3.630 2.823 2.732 2.931 . 0 0 "[ . 1 . 2]" 1
1546 1 82 THR H 1 82 THR MG . . 4.480 3.928 3.883 3.971 . 0 0 "[ . 1 . 2]" 1
1547 1 82 THR H 1 83 PRO HD3 . . 5.090 4.131 3.957 4.291 . 0 0 "[ . 1 . 2]" 1
1548 1 82 THR HA 1 82 THR MG . . 3.310 2.355 2.148 2.445 . 0 0 "[ . 1 . 2]" 1
1549 1 82 THR HA 1 83 PRO HD2 . . 3.730 1.929 1.914 1.958 . 0 0 "[ . 1 . 2]" 1
1550 1 82 THR HA 1 83 PRO HD3 . . 3.600 2.424 2.350 2.519 . 0 0 "[ . 1 . 2]" 1
1551 1 82 THR HA 1 83 PRO HG2 . . 4.940 4.134 4.116 4.161 . 0 0 "[ . 1 . 2]" 1
1552 1 82 THR MG 1 83 PRO HD2 . . 4.020 2.655 2.368 2.963 . 0 0 "[ . 1 . 2]" 1
1553 1 82 THR MG 1 83 PRO HD3 . . 4.280 3.882 3.704 4.086 . 0 0 "[ . 1 . 2]" 1
1554 1 82 THR MG 1 84 LYS HA . . 4.720 4.220 3.666 4.455 . 0 0 "[ . 1 . 2]" 1
1555 1 83 PRO HA 1 84 LYS H . . 3.050 2.225 2.154 2.379 . 0 0 "[ . 1 . 2]" 1
1556 1 83 PRO HA 1 84 LYS HA . . 4.930 4.389 4.369 4.537 . 0 0 "[ . 1 . 2]" 1
1557 1 83 PRO HA 1 84 LYS QB . . 5.160 4.348 4.215 4.557 . 0 0 "[ . 1 . 2]" 1
1558 1 83 PRO HA 1 84 LYS QG . . 4.920 4.020 3.523 4.737 . 0 0 "[ . 1 . 2]" 1
1559 1 83 PRO HA 1 85 GLU H . . 4.230 4.013 3.457 4.236 0.006 13 0 "[ . 1 . 2]" 1
1560 1 83 PRO HA 1 89 TYR QE . . 4.840 4.013 3.329 4.383 . 0 0 "[ . 1 . 2]" 1
1561 1 83 PRO HB2 1 84 LYS H . . 4.160 3.242 2.666 4.105 . 0 0 "[ . 1 . 2]" 1
1562 1 83 PRO HB2 1 85 GLU H . . 3.880 3.460 3.078 3.753 . 0 0 "[ . 1 . 2]" 1
1563 1 83 PRO HB2 1 89 TYR QE . . 4.250 3.952 3.391 4.246 . 0 0 "[ . 1 . 2]" 1
1564 1 83 PRO HB2 1 109 VAL MG1 . . 3.580 2.401 1.992 2.833 . 0 0 "[ . 1 . 2]" 1
1565 1 83 PRO HB2 1 109 VAL MG2 . . 3.660 2.948 2.488 3.226 . 0 0 "[ . 1 . 2]" 1
1566 1 83 PRO HB3 1 84 LYS H . . 4.560 3.820 3.480 4.421 . 0 0 "[ . 1 . 2]" 1
1567 1 83 PRO HB3 1 85 GLU H . . 4.870 4.608 4.312 4.870 . 0 0 "[ . 1 . 2]" 1
1568 1 83 PRO HB3 1 89 TYR QE . . 4.910 3.792 3.423 4.034 . 0 0 "[ . 1 . 2]" 1
1569 1 83 PRO HB3 1 109 VAL MG1 . . 4.240 3.267 2.907 3.605 . 0 0 "[ . 1 . 2]" 1
1570 1 83 PRO HB3 1 109 VAL MG2 . . 4.080 2.585 2.145 2.958 . 0 0 "[ . 1 . 2]" 1
1571 1 83 PRO HG2 1 109 VAL MG1 . . 3.590 2.668 2.264 3.057 . 0 0 "[ . 1 . 2]" 1
1572 1 83 PRO HG2 1 109 VAL MG2 . . 4.030 3.529 3.309 3.860 . 0 0 "[ . 1 . 2]" 1
1573 1 83 PRO HG3 1 109 VAL MG1 . . 3.680 2.515 2.128 2.916 . 0 0 "[ . 1 . 2]" 1
1574 1 83 PRO HG3 1 109 VAL MG2 . . 3.790 2.352 2.094 2.792 . 0 0 "[ . 1 . 2]" 1
1575 1 84 LYS H 1 84 LYS QB . . 3.280 2.435 2.226 2.909 . 0 0 "[ . 1 . 2]" 1
1576 1 84 LYS H 1 84 LYS QD . . 4.720 3.577 1.919 4.514 . 0 0 "[ . 1 . 2]" 1
1577 1 84 LYS H 1 84 LYS QG . . 3.920 2.691 1.885 3.597 . 0 0 "[ . 1 . 2]" 1
1578 1 84 LYS H 1 85 GLU H . . 3.330 2.303 2.011 2.855 . 0 0 "[ . 1 . 2]" 1
1579 1 84 LYS HA 1 84 LYS QD . . 4.270 3.693 2.282 4.317 0.047 17 0 "[ . 1 . 2]" 1
1580 1 84 LYS HA 1 84 LYS QE . . 4.830 4.425 3.783 4.850 0.020 3 0 "[ . 1 . 2]" 1
1581 1 84 LYS HA 1 84 LYS QG . . 3.700 2.607 2.229 3.343 . 0 0 "[ . 1 . 2]" 1
1582 1 84 LYS QB 1 84 LYS QD . . 3.420 2.196 2.038 2.405 . 0 0 "[ . 1 . 2]" 1
1583 1 84 LYS QB 1 84 LYS QE . . 4.180 2.792 2.045 3.783 . 0 0 "[ . 1 . 2]" 1
1584 1 84 LYS QB 1 85 GLU H . . 3.600 2.796 2.469 3.576 . 0 0 "[ . 1 . 2]" 1
1585 1 84 LYS QB 1 85 GLU HG2 . . 4.590 3.835 2.738 4.570 . 0 0 "[ . 1 . 2]" 1
1586 1 84 LYS QB 1 85 GLU QG . . 3.780 3.034 2.690 3.353 . 0 0 "[ . 1 . 2]" 1
1587 1 84 LYS QB 1 85 GLU HG3 . . 4.590 3.512 2.758 4.607 0.017 13 0 "[ . 1 . 2]" 1
1588 1 84 LYS QE 1 84 LYS HG2 . . 3.590 2.696 2.087 3.432 . 0 0 "[ . 1 . 2]" 1
1589 1 84 LYS QE 1 84 LYS HG3 . . 3.590 2.737 2.179 3.462 . 0 0 "[ . 1 . 2]" 1
1590 1 84 LYS QG 1 85 GLU H . . 4.720 3.799 1.932 4.466 . 0 0 "[ . 1 . 2]" 1
1591 1 84 LYS HG2 1 85 GLU H . . 5.500 4.515 1.987 5.218 . 0 0 "[ . 1 . 2]" 1
1592 1 84 LYS HG3 1 85 GLU H . . 5.500 4.189 2.013 5.004 . 0 0 "[ . 1 . 2]" 1
1593 1 85 GLU H 1 85 GLU HB2 . . 3.790 2.716 2.451 3.800 0.010 8 0 "[ . 1 . 2]" 1
1594 1 85 GLU H 1 85 GLU QB . . 3.240 2.602 2.415 3.208 . 0 0 "[ . 1 . 2]" 1
1595 1 85 GLU H 1 85 GLU HB3 . . 3.790 3.684 3.041 3.814 0.024 9 0 "[ . 1 . 2]" 1
1596 1 85 GLU H 1 85 GLU HG2 . . 4.250 3.718 2.094 4.252 0.002 1 0 "[ . 1 . 2]" 1
1597 1 85 GLU H 1 85 GLU QG . . 3.570 3.084 2.069 3.480 . 0 0 "[ . 1 . 2]" 1
1598 1 85 GLU H 1 85 GLU HG3 . . 4.250 3.498 2.836 4.151 . 0 0 "[ . 1 . 2]" 1
1599 1 85 GLU H 1 86 PRO QD . . 4.450 4.347 4.299 4.366 . 0 0 "[ . 1 . 2]" 1
1600 1 85 GLU HA 1 86 PRO QD . . 3.040 2.070 2.026 2.112 . 0 0 "[ . 1 . 2]" 1
1601 1 85 GLU HA 1 86 PRO HG2 . . 4.690 4.485 4.420 4.544 . 0 0 "[ . 1 . 2]" 1
1602 1 85 GLU HA 1 86 PRO HG3 . . 4.530 4.451 4.407 4.495 . 0 0 "[ . 1 . 2]" 1
1603 1 85 GLU QB 1 86 PRO QD . . 3.310 2.105 1.940 2.285 . 0 0 "[ . 1 . 2]" 1
1604 1 85 GLU HB2 1 86 PRO QD . . 3.890 3.418 1.955 3.712 . 0 0 "[ . 1 . 2]" 1
1605 1 85 GLU HB3 1 86 PRO QD . . 3.890 2.235 2.011 3.241 . 0 0 "[ . 1 . 2]" 1
1606 1 85 GLU HG2 1 86 PRO QD . . 4.450 3.428 2.563 4.549 0.099 13 0 "[ . 1 . 2]" 1
1607 1 85 GLU HG3 1 86 PRO QD . . 4.450 4.052 3.532 4.352 . 0 0 "[ . 1 . 2]" 1
1608 1 86 PRO HA 1 87 GLY H . . 3.000 2.352 2.288 2.473 . 0 0 "[ . 1 . 2]" 1
1609 1 86 PRO HA 1 109 VAL H . . 4.890 4.635 4.256 4.865 . 0 0 "[ . 1 . 2]" 1
1610 1 86 PRO HA 1 109 VAL HB . . 3.600 2.410 2.008 2.746 . 0 0 "[ . 1 . 2]" 1
1611 1 86 PRO HA 1 109 VAL MG1 . . 3.170 2.018 1.862 2.565 . 0 0 "[ . 1 . 2]" 1
1612 1 86 PRO HA 1 109 VAL MG2 . . 4.180 3.796 3.489 4.076 . 0 0 "[ . 1 . 2]" 1
1613 1 86 PRO QB 1 87 GLY H . . 3.290 2.667 2.394 2.819 . 0 0 "[ . 1 . 2]" 1
1614 1 86 PRO QB 1 87 GLY HA2 . . 4.720 3.857 3.765 3.921 . 0 0 "[ . 1 . 2]" 1
1615 1 86 PRO QB 1 87 GLY HA3 . . 4.720 4.244 4.148 4.322 . 0 0 "[ . 1 . 2]" 1
1616 1 86 PRO QB 1 109 VAL HB . . 4.340 3.915 3.640 4.178 . 0 0 "[ . 1 . 2]" 1
1617 1 86 PRO QB 1 109 VAL MG1 . . 3.800 3.073 2.839 3.414 . 0 0 "[ . 1 . 2]" 1
1618 1 86 PRO QB 1 110 ARG HA . . 4.300 3.508 2.801 4.070 . 0 0 "[ . 1 . 2]" 1
1619 1 86 PRO QB 1 111 ARG HA . . 3.700 2.759 2.060 3.462 . 0 0 "[ . 1 . 2]" 1
1620 1 86 PRO HG2 1 87 GLY H . . 4.760 4.528 4.295 4.652 . 0 0 "[ . 1 . 2]" 1
1621 1 86 PRO HG2 1 87 GLY QA . . 5.290 4.523 4.416 4.582 . 0 0 "[ . 1 . 2]" 1
1622 1 86 PRO HG3 1 87 GLY H . . 5.310 5.193 4.968 5.316 0.006 2 0 "[ . 1 . 2]" 1
1623 1 86 PRO HG3 1 111 ARG HA . . 4.610 3.588 2.821 4.397 . 0 0 "[ . 1 . 2]" 1
1624 1 87 GLY H 1 88 VAL H . . 4.520 4.441 4.387 4.475 . 0 0 "[ . 1 . 2]" 1
1625 1 87 GLY H 1 89 TYR QD . . 4.880 4.542 4.268 4.785 . 0 0 "[ . 1 . 2]" 1
1626 1 87 GLY H 1 89 TYR QE . . 3.900 3.621 3.349 3.809 . 0 0 "[ . 1 . 2]" 1
1627 1 87 GLY H 1 109 VAL H . . 3.590 3.068 2.717 3.383 . 0 0 "[ . 1 . 2]" 1
1628 1 87 GLY H 1 109 VAL HB . . 3.140 2.161 1.903 2.332 . 0 0 "[ . 1 . 2]" 1
1629 1 87 GLY H 1 109 VAL MG1 . . 3.590 3.231 2.891 3.520 . 0 0 "[ . 1 . 2]" 1
1630 1 87 GLY H 1 109 VAL MG2 . . 3.880 3.769 3.454 3.872 . 0 0 "[ . 1 . 2]" 1
1631 1 87 GLY H 1 110 ARG HA . . 4.640 4.225 3.791 4.505 . 0 0 "[ . 1 . 2]" 1
1632 1 87 GLY QA 1 88 VAL HB . . 4.570 4.291 4.132 4.392 . 0 0 "[ . 1 . 2]" 1
1633 1 87 GLY QA 1 88 VAL MG1 . . 3.930 3.636 3.559 3.745 . 0 0 "[ . 1 . 2]" 1
1634 1 87 GLY QA 1 89 TYR QE . . 4.720 3.289 3.030 3.664 . 0 0 "[ . 1 . 2]" 1
1635 1 87 GLY HA2 1 88 VAL H . . 3.030 2.641 2.533 3.015 . 0 0 "[ . 1 . 2]" 1
1636 1 87 GLY HA2 1 88 VAL MG1 . . 4.560 4.183 3.958 4.381 . 0 0 "[ . 1 . 2]" 1
1637 1 87 GLY HA3 1 88 VAL H . . 3.030 2.495 2.207 2.594 . 0 0 "[ . 1 . 2]" 1
1638 1 87 GLY HA3 1 88 VAL MG1 . . 4.560 3.999 3.905 4.098 . 0 0 "[ . 1 . 2]" 1
1639 1 88 VAL H 1 88 VAL HB . . 3.060 2.804 2.651 3.080 0.020 17 0 "[ . 1 . 2]" 1
1640 1 88 VAL H 1 88 VAL MG1 . . 3.120 1.972 1.862 2.157 . 0 0 "[ . 1 . 2]" 1
1641 1 88 VAL H 1 88 VAL MG2 . . 3.860 3.795 3.758 3.877 0.017 17 0 "[ . 1 . 2]" 1
1642 1 88 VAL H 1 89 TYR H . . 4.630 4.542 4.427 4.590 . 0 0 "[ . 1 . 2]" 1
1643 1 88 VAL HA 1 88 VAL MG1 . . 3.220 3.193 3.183 3.203 . 0 0 "[ . 1 . 2]" 1
1644 1 88 VAL HA 1 88 VAL MG2 . . 3.360 2.387 2.301 2.448 . 0 0 "[ . 1 . 2]" 1
1645 1 88 VAL HA 1 89 TYR H . . 2.890 2.190 2.153 2.222 . 0 0 "[ . 1 . 2]" 1
1646 1 88 VAL HA 1 107 VAL H . . 4.520 4.130 3.600 4.408 . 0 0 "[ . 1 . 2]" 1
1647 1 88 VAL HA 1 108 THR HA . . 4.600 2.500 2.218 2.776 . 0 0 "[ . 1 . 2]" 1
1648 1 88 VAL HA 1 109 VAL H . . 4.030 3.107 2.943 3.291 . 0 0 "[ . 1 . 2]" 1
1649 1 88 VAL HB 1 89 TYR H . . 4.880 4.082 3.942 4.211 . 0 0 "[ . 1 . 2]" 1
1650 1 88 VAL HB 1 106 THR MG . . 4.890 4.124 3.631 4.889 . 0 0 "[ . 1 . 2]" 1
1651 1 88 VAL MG1 1 89 TYR H . . 4.080 3.898 3.760 4.040 . 0 0 "[ . 1 . 2]" 1
1652 1 88 VAL MG1 1 109 VAL H . . 5.500 5.447 5.234 5.522 0.022 17 0 "[ . 1 . 2]" 1
1653 1 88 VAL MG2 1 89 TYR H . . 3.450 2.293 2.043 2.523 . 0 0 "[ . 1 . 2]" 1
1654 1 88 VAL MG2 1 89 TYR HA . . 3.810 3.553 3.318 3.754 . 0 0 "[ . 1 . 2]" 1
1655 1 88 VAL MG2 1 106 THR HA . . 4.850 3.702 3.149 3.884 . 0 0 "[ . 1 . 2]" 1
1656 1 88 VAL MG2 1 106 THR HB . . 3.830 3.241 2.225 3.843 0.013 16 0 "[ . 1 . 2]" 1
1657 1 88 VAL MG2 1 106 THR MG . . 2.820 1.956 1.629 2.448 . 0 0 "[ . 1 . 2]" 1
1658 1 88 VAL MG2 1 107 VAL H . . 3.930 2.800 2.394 3.040 . 0 0 "[ . 1 . 2]" 1
1659 1 88 VAL MG2 1 108 THR HA . . 3.910 3.600 3.301 3.914 0.004 20 0 "[ . 1 . 2]" 1
1660 1 89 TYR H 1 89 TYR HB2 . . 3.720 2.571 2.435 2.640 . 0 0 "[ . 1 . 2]" 1
1661 1 89 TYR H 1 89 TYR HB3 . . 4.070 3.728 3.644 3.772 . 0 0 "[ . 1 . 2]" 1
1662 1 89 TYR H 1 89 TYR QD . . 3.610 2.770 2.614 2.886 . 0 0 "[ . 1 . 2]" 1
1663 1 89 TYR H 1 89 TYR QE . . 5.100 5.042 4.916 5.104 0.004 11 0 "[ . 1 . 2]" 1
1664 1 89 TYR H 1 90 THR H . . 4.600 4.460 4.439 4.511 . 0 0 "[ . 1 . 2]" 1
1665 1 89 TYR H 1 91 VAL MG2 . . 5.500 5.388 5.262 5.508 0.008 13 0 "[ . 1 . 2]" 1
1666 1 89 TYR H 1 106 THR MG . . 4.580 3.627 2.927 4.526 . 0 0 "[ . 1 . 2]" 1
1667 1 89 TYR H 1 107 VAL H . . 3.670 2.568 2.401 2.863 . 0 0 "[ . 1 . 2]" 1
1668 1 89 TYR H 1 107 VAL HA . . 4.790 4.507 4.369 4.641 . 0 0 "[ . 1 . 2]" 1
1669 1 89 TYR H 1 107 VAL HB . . 4.110 3.288 2.929 3.763 . 0 0 "[ . 1 . 2]" 1
1670 1 89 TYR H 1 107 VAL MG1 . . 4.390 3.907 3.525 4.240 . 0 0 "[ . 1 . 2]" 1
1671 1 89 TYR H 1 109 VAL H . . 4.490 4.287 3.993 4.490 0.000 6 0 "[ . 1 . 2]" 1
1672 1 89 TYR HA 1 89 TYR QD . . 3.970 3.096 3.016 3.131 . 0 0 "[ . 1 . 2]" 1
1673 1 89 TYR HA 1 89 TYR QE . . 4.820 4.626 4.576 4.665 . 0 0 "[ . 1 . 2]" 1
1674 1 89 TYR HA 1 90 THR H . . 3.020 2.451 2.377 2.530 . 0 0 "[ . 1 . 2]" 1
1675 1 89 TYR HA 1 90 THR HB . . 5.090 4.860 4.712 5.006 . 0 0 "[ . 1 . 2]" 1
1676 1 89 TYR HA 1 107 VAL H . . 5.500 4.587 4.373 4.896 . 0 0 "[ . 1 . 2]" 1
1677 1 89 TYR HA 1 107 VAL HB . . 5.500 4.973 4.714 5.361 . 0 0 "[ . 1 . 2]" 1
1678 1 89 TYR HB2 1 90 THR H . . 3.960 3.655 3.495 3.790 . 0 0 "[ . 1 . 2]" 1
1679 1 89 TYR HB2 1 107 VAL H . . 4.620 3.780 3.336 4.361 . 0 0 "[ . 1 . 2]" 1
1680 1 89 TYR HB2 1 107 VAL HB . . 3.920 2.499 2.131 2.999 . 0 0 "[ . 1 . 2]" 1
1681 1 89 TYR HB2 1 107 VAL MG1 . . 3.680 3.251 2.968 3.418 . 0 0 "[ . 1 . 2]" 1
1682 1 89 TYR HB3 1 90 THR H . . 3.620 2.319 2.154 2.490 . 0 0 "[ . 1 . 2]" 1
1683 1 89 TYR HB3 1 107 VAL HB . . 4.690 3.752 3.511 4.269 . 0 0 "[ . 1 . 2]" 1
1684 1 89 TYR HB3 1 107 VAL MG1 . . 4.640 4.577 4.386 4.644 0.004 20 0 "[ . 1 . 2]" 1
1685 1 89 TYR QD 1 90 THR H . . 4.250 3.626 3.384 3.794 . 0 0 "[ . 1 . 2]" 1
1686 1 89 TYR QD 1 107 VAL H . . 5.350 5.018 4.829 5.309 . 0 0 "[ . 1 . 2]" 1
1687 1 89 TYR QD 1 107 VAL HB . . 5.060 4.360 3.836 4.729 . 0 0 "[ . 1 . 2]" 1
1688 1 89 TYR QD 1 107 VAL MG1 . . 4.770 4.085 3.576 4.458 . 0 0 "[ . 1 . 2]" 1
1689 1 89 TYR QD 1 109 VAL H . . 4.300 3.519 3.369 3.803 . 0 0 "[ . 1 . 2]" 1
1690 1 89 TYR QD 1 109 VAL MG2 . . 3.480 2.192 1.976 2.599 . 0 0 "[ . 1 . 2]" 1
1691 1 89 TYR QE 1 109 VAL H . . 4.420 4.353 4.019 4.428 0.008 20 0 "[ . 1 . 2]" 1
1692 1 89 TYR QE 1 109 VAL HB . . 3.480 2.801 2.582 3.149 . 0 0 "[ . 1 . 2]" 1
1693 1 89 TYR QE 1 109 VAL MG1 . . 4.250 3.500 3.152 3.922 . 0 0 "[ . 1 . 2]" 1
1694 1 89 TYR QE 1 109 VAL MG2 . . 3.480 2.641 2.351 2.963 . 0 0 "[ . 1 . 2]" 1
1695 1 90 THR H 1 90 THR HB . . 3.340 2.883 2.749 2.996 . 0 0 "[ . 1 . 2]" 1
1696 1 90 THR H 1 90 THR MG . . 4.310 3.939 3.906 3.963 . 0 0 "[ . 1 . 2]" 1
1697 1 90 THR H 1 91 VAL H . . 4.530 4.038 3.921 4.158 . 0 0 "[ . 1 . 2]" 1
1698 1 90 THR HA 1 90 THR MG . . 3.170 2.185 2.080 2.303 . 0 0 "[ . 1 . 2]" 1
1699 1 90 THR HA 1 91 VAL H . . 3.070 2.168 2.145 2.194 . 0 0 "[ . 1 . 2]" 1
1700 1 90 THR HA 1 91 VAL HB . . 4.900 4.693 4.580 4.870 . 0 0 "[ . 1 . 2]" 1
1701 1 90 THR HA 1 91 VAL MG2 . . 4.230 3.744 3.560 4.047 . 0 0 "[ . 1 . 2]" 1
1702 1 90 THR HA 1 92 TRP HD1 . . 5.040 4.407 4.134 4.782 . 0 0 "[ . 1 . 2]" 1
1703 1 90 THR HA 1 105 PHE H . . 4.720 4.536 3.985 4.726 0.006 13 0 "[ . 1 . 2]" 1
1704 1 90 THR HA 1 106 THR HA . . 3.660 2.570 2.230 2.925 . 0 0 "[ . 1 . 2]" 1
1705 1 90 THR HA 1 106 THR MG . . 3.860 3.493 2.805 3.862 0.002 11 0 "[ . 1 . 2]" 1
1706 1 90 THR HA 1 107 VAL HB . . 4.980 4.758 4.490 4.986 0.006 20 0 "[ . 1 . 2]" 1
1707 1 90 THR HB 1 91 VAL H . . 4.530 4.271 4.195 4.347 . 0 0 "[ . 1 . 2]" 1
1708 1 90 THR HB 1 92 TRP HD1 . . 4.910 3.105 2.745 3.437 . 0 0 "[ . 1 . 2]" 1
1709 1 90 THR HB 1 92 TRP HE1 . . 4.460 2.782 2.310 3.659 . 0 0 "[ . 1 . 2]" 1
1710 1 90 THR MG 1 91 VAL H . . 3.690 3.126 2.900 3.338 . 0 0 "[ . 1 . 2]" 1
1711 1 90 THR MG 1 92 TRP HD1 . . 3.690 2.379 2.060 2.717 . 0 0 "[ . 1 . 2]" 1
1712 1 90 THR MG 1 92 TRP HE1 . . 3.800 2.113 1.758 2.504 . 0 0 "[ . 1 . 2]" 1
1713 1 90 THR MG 1 104 PRO QB . . 3.670 2.396 2.070 2.603 . 0 0 "[ . 1 . 2]" 1
1714 1 90 THR MG 1 104 PRO HG2 . . 4.020 3.544 3.403 3.654 . 0 0 "[ . 1 . 2]" 1
1715 1 90 THR MG 1 104 PRO QG . . 3.280 3.208 3.067 3.287 0.007 9 0 "[ . 1 . 2]" 1
1716 1 90 THR MG 1 104 PRO HG3 . . 4.020 3.668 3.447 3.801 . 0 0 "[ . 1 . 2]" 1
1717 1 90 THR MG 1 105 PHE H . . 4.170 3.595 3.204 3.984 . 0 0 "[ . 1 . 2]" 1
1718 1 90 THR MG 1 106 THR HA . . 4.780 3.433 3.096 3.735 . 0 0 "[ . 1 . 2]" 1
1719 1 91 VAL H 1 91 VAL HB . . 3.510 2.551 2.444 2.729 . 0 0 "[ . 1 . 2]" 1
1720 1 91 VAL H 1 91 VAL MG1 . . 4.280 3.783 3.754 3.810 . 0 0 "[ . 1 . 2]" 1
1721 1 91 VAL H 1 91 VAL MG2 . . 3.590 2.242 1.896 2.464 . 0 0 "[ . 1 . 2]" 1
1722 1 91 VAL H 1 92 TRP H . . 4.490 4.387 4.214 4.511 0.021 6 0 "[ . 1 . 2]" 1
1723 1 91 VAL H 1 105 PHE H . . 3.670 3.449 3.070 3.655 . 0 0 "[ . 1 . 2]" 1
1724 1 91 VAL H 1 106 THR HA . . 3.920 3.573 3.242 3.925 0.005 7 0 "[ . 1 . 2]" 1
1725 1 91 VAL H 1 107 VAL HB . . 4.950 4.524 4.159 4.865 . 0 0 "[ . 1 . 2]" 1
1726 1 91 VAL HA 1 91 VAL MG1 . . 3.430 2.344 2.168 2.472 . 0 0 "[ . 1 . 2]" 1
1727 1 91 VAL HA 1 91 VAL MG2 . . 3.570 2.422 2.283 2.549 . 0 0 "[ . 1 . 2]" 1
1728 1 91 VAL HA 1 92 TRP H . . 3.120 2.155 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
1729 1 91 VAL HA 1 92 TRP QB . . 5.340 4.271 4.159 4.351 . 0 0 "[ . 1 . 2]" 1
1730 1 91 VAL HA 1 92 TRP HD1 . . 4.680 3.595 3.324 3.931 . 0 0 "[ . 1 . 2]" 1
1731 1 91 VAL HB 1 92 TRP H . . 4.990 4.292 4.009 4.445 . 0 0 "[ . 1 . 2]" 1
1732 1 91 VAL HB 1 93 VAL MG2 . . 5.080 3.579 3.312 4.153 . 0 0 "[ . 1 . 2]" 1
1733 1 91 VAL HB 1 105 PHE H . . 4.210 3.290 2.989 3.772 . 0 0 "[ . 1 . 2]" 1
1734 1 91 VAL HB 1 105 PHE QD . . 4.910 3.475 3.275 3.733 . 0 0 "[ . 1 . 2]" 1
1735 1 91 VAL HB 1 105 PHE QE . . 4.440 2.893 2.730 3.124 . 0 0 "[ . 1 . 2]" 1
1736 1 91 VAL HB 1 105 PHE HZ . . 5.020 2.991 2.609 3.273 . 0 0 "[ . 1 . 2]" 1
1737 1 91 VAL MG1 1 92 TRP H . . 3.720 2.831 2.419 3.206 . 0 0 "[ . 1 . 2]" 1
1738 1 91 VAL MG1 1 93 VAL MG2 . . 3.090 2.014 1.847 2.327 . 0 0 "[ . 1 . 2]" 1
1739 1 91 VAL MG1 1 105 PHE QD . . 5.050 4.104 3.782 4.553 . 0 0 "[ . 1 . 2]" 1
1740 1 91 VAL MG1 1 105 PHE QE . . 3.730 2.765 2.177 3.309 . 0 0 "[ . 1 . 2]" 1
1741 1 91 VAL MG1 1 105 PHE HZ . . 3.800 2.395 1.980 2.771 . 0 0 "[ . 1 . 2]" 1
1742 1 91 VAL MG2 1 92 TRP H . . 4.400 4.166 3.998 4.297 . 0 0 "[ . 1 . 2]" 1
1743 1 91 VAL MG2 1 105 PHE QD . . 4.660 3.476 3.138 3.802 . 0 0 "[ . 1 . 2]" 1
1744 1 91 VAL MG2 1 105 PHE QE . . 3.900 2.162 1.975 2.731 . 0 0 "[ . 1 . 2]" 1
1745 1 91 VAL MG2 1 105 PHE HZ . . 4.300 2.765 2.385 3.083 . 0 0 "[ . 1 . 2]" 1
1746 1 91 VAL MG2 1 107 VAL HB . . 4.130 3.202 2.828 3.514 . 0 0 "[ . 1 . 2]" 1
1747 1 91 VAL MG2 1 107 VAL MG1 . . 3.660 3.629 3.461 3.662 0.002 13 0 "[ . 1 . 2]" 1
1748 1 91 VAL MG2 1 107 VAL MG2 . . 3.190 1.954 1.736 2.302 . 0 0 "[ . 1 . 2]" 1
1749 1 92 TRP H 1 92 TRP QB . . 3.640 2.298 2.215 2.362 . 0 0 "[ . 1 . 2]" 1
1750 1 92 TRP H 1 92 TRP HD1 . . 4.350 2.704 2.314 3.092 . 0 0 "[ . 1 . 2]" 1
1751 1 92 TRP HA 1 92 TRP HD1 . . 4.020 2.919 2.810 3.125 . 0 0 "[ . 1 . 2]" 1
1752 1 92 TRP HA 1 93 VAL H . . 3.330 2.157 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
1753 1 92 TRP HA 1 104 PRO HA . . 4.170 3.351 2.927 3.484 . 0 0 "[ . 1 . 2]" 1
1754 1 92 TRP HB2 1 93 VAL H . . 4.640 4.479 4.352 4.549 . 0 0 "[ . 1 . 2]" 1
1755 1 92 TRP HB3 1 93 VAL H . . 4.640 3.687 3.443 3.859 . 0 0 "[ . 1 . 2]" 1
1756 1 92 TRP HD1 1 104 PRO HA . . 5.320 5.192 4.957 5.323 0.003 12 0 "[ . 1 . 2]" 1
1757 1 92 TRP HD1 1 104 PRO QB . . 3.810 3.130 3.000 3.298 . 0 0 "[ . 1 . 2]" 1
1758 1 92 TRP HD1 1 105 PHE H . . 5.060 4.984 4.755 5.062 0.002 20 0 "[ . 1 . 2]" 1
1759 1 92 TRP HE1 1 104 PRO QB . . 4.250 3.859 3.572 4.096 . 0 0 "[ . 1 . 2]" 1
1760 1 93 VAL H 1 93 VAL HB . . 4.080 2.659 2.568 2.773 . 0 0 "[ . 1 . 2]" 1
1761 1 93 VAL H 1 93 VAL MG1 . . 4.360 3.849 3.756 3.900 . 0 0 "[ . 1 . 2]" 1
1762 1 93 VAL H 1 93 VAL MG2 . . 4.150 2.884 2.695 3.216 . 0 0 "[ . 1 . 2]" 1
1763 1 93 VAL H 1 94 CYS H . . 4.940 4.085 3.973 4.159 . 0 0 "[ . 1 . 2]" 1
1764 1 93 VAL H 1 100 VAL MG2 . . 4.860 4.362 4.081 4.612 . 0 0 "[ . 1 . 2]" 1
1765 1 93 VAL H 1 103 SER HA . . 4.970 4.806 4.414 4.975 0.005 18 0 "[ . 1 . 2]" 1
1766 1 93 VAL H 1 103 SER HB2 . . 4.700 4.385 3.801 4.690 . 0 0 "[ . 1 . 2]" 1
1767 1 93 VAL H 1 103 SER QB . . 4.090 3.448 2.796 4.052 . 0 0 "[ . 1 . 2]" 1
1768 1 93 VAL H 1 103 SER HB3 . . 4.700 3.807 2.825 4.686 . 0 0 "[ . 1 . 2]" 1
1769 1 93 VAL H 1 103 SER HG . . 3.710 3.021 2.018 3.714 0.004 17 0 "[ . 1 . 2]" 1
1770 1 93 VAL H 1 104 PRO HA . . 4.650 3.022 2.818 3.233 . 0 0 "[ . 1 . 2]" 1
1771 1 93 VAL HA 1 93 VAL MG1 . . 3.410 2.374 2.284 2.521 . 0 0 "[ . 1 . 2]" 1
1772 1 93 VAL HA 1 93 VAL MG2 . . 3.500 2.313 2.248 2.409 . 0 0 "[ . 1 . 2]" 1
1773 1 93 VAL HA 1 94 CYS H . . 2.950 2.163 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
1774 1 93 VAL HB 1 94 CYS H . . 4.630 4.400 4.346 4.498 . 0 0 "[ . 1 . 2]" 1
1775 1 93 VAL HB 1 100 VAL MG2 . . 3.270 2.859 2.507 3.144 . 0 0 "[ . 1 . 2]" 1
1776 1 93 VAL HB 1 103 SER HB2 . . 4.220 3.190 2.575 4.028 . 0 0 "[ . 1 . 2]" 1
1777 1 93 VAL HB 1 103 SER QB . . 3.690 2.758 2.355 3.143 . 0 0 "[ . 1 . 2]" 1
1778 1 93 VAL HB 1 103 SER HB3 . . 4.220 3.209 2.424 3.711 . 0 0 "[ . 1 . 2]" 1
1779 1 93 VAL MG1 1 94 CYS H . . 3.450 3.046 2.839 3.170 . 0 0 "[ . 1 . 2]" 1
1780 1 93 VAL MG1 1 94 CYS HA . . 4.630 3.565 3.365 3.703 . 0 0 "[ . 1 . 2]" 1
1781 1 93 VAL MG1 1 103 SER HB2 . . 5.110 4.020 3.664 4.680 . 0 0 "[ . 1 . 2]" 1
1782 1 93 VAL MG1 1 103 SER QB . . 4.290 3.599 3.275 4.076 . 0 0 "[ . 1 . 2]" 1
1783 1 93 VAL MG1 1 103 SER HB3 . . 5.110 4.067 3.687 4.485 . 0 0 "[ . 1 . 2]" 1
1784 1 93 VAL MG2 1 94 CYS H . . 4.170 4.143 4.034 4.180 0.010 20 0 "[ . 1 . 2]" 1
1785 1 93 VAL MG2 1 105 PHE QE . . 3.740 2.586 2.057 3.195 . 0 0 "[ . 1 . 2]" 1
1786 1 94 CYS H 1 94 CYS HB2 . . 3.680 2.840 2.731 2.980 . 0 0 "[ . 1 . 2]" 1
1787 1 94 CYS H 1 94 CYS HB3 . . 4.030 3.868 3.829 3.916 . 0 0 "[ . 1 . 2]" 1
1788 1 94 CYS H 1 95 ILE H . . 4.440 4.391 4.352 4.445 0.005 19 0 "[ . 1 . 2]" 1
1789 1 94 CYS H 1 99 HIS HA . . 5.500 4.893 4.654 5.146 . 0 0 "[ . 1 . 2]" 1
1790 1 94 CYS HA 1 95 ILE H . . 3.000 2.244 2.189 2.352 . 0 0 "[ . 1 . 2]" 1
1791 1 94 CYS HA 1 95 ILE HA . . 5.110 4.402 4.387 4.436 . 0 0 "[ . 1 . 2]" 1
1792 1 94 CYS HA 1 95 ILE HG13 . . 4.900 3.711 3.518 3.916 . 0 0 "[ . 1 . 2]" 1
1793 1 94 CYS HA 1 98 GLN H . . 4.340 4.165 4.035 4.338 . 0 0 "[ . 1 . 2]" 1
1794 1 94 CYS HA 1 99 HIS HA . . 3.870 2.508 2.217 2.817 . 0 0 "[ . 1 . 2]" 1
1795 1 94 CYS HA 1 99 HIS QB . . 5.340 4.315 4.000 4.725 . 0 0 "[ . 1 . 2]" 1
1796 1 94 CYS HA 1 100 VAL H . . 4.000 2.543 2.050 3.067 . 0 0 "[ . 1 . 2]" 1
1797 1 94 CYS HA 1 100 VAL MG1 . . 3.950 2.635 2.315 2.937 . 0 0 "[ . 1 . 2]" 1
1798 1 94 CYS HA 1 100 VAL MG2 . . 4.720 3.442 3.071 3.815 . 0 0 "[ . 1 . 2]" 1
1799 1 94 CYS HB2 1 95 ILE H . . 4.080 3.827 3.589 4.042 . 0 0 "[ . 1 . 2]" 1
1800 1 94 CYS HB2 1 97 GLU H . . 4.540 4.356 3.951 4.542 0.002 17 0 "[ . 1 . 2]" 1
1801 1 94 CYS HB2 1 97 GLU HA . . 4.810 4.131 3.877 4.307 . 0 0 "[ . 1 . 2]" 1
1802 1 94 CYS HB2 1 98 GLN H . . 3.730 3.608 3.447 3.727 . 0 0 "[ . 1 . 2]" 1
1803 1 94 CYS HB2 1 98 GLN HA . . 5.500 5.380 5.150 5.485 . 0 0 "[ . 1 . 2]" 1
1804 1 94 CYS HB3 1 95 ILE H . . 3.670 2.904 2.564 3.082 . 0 0 "[ . 1 . 2]" 1
1805 1 94 CYS HB3 1 97 GLU H . . 4.520 4.325 4.048 4.527 0.007 17 0 "[ . 1 . 2]" 1
1806 1 94 CYS HB3 1 97 GLU HA . . 4.510 3.968 3.729 4.213 . 0 0 "[ . 1 . 2]" 1
1807 1 94 CYS HB3 1 98 GLN H . . 4.350 2.515 2.289 2.749 . 0 0 "[ . 1 . 2]" 1
1808 1 94 CYS HB3 1 100 VAL H . . 4.950 4.253 3.586 4.824 . 0 0 "[ . 1 . 2]" 1
1809 1 95 ILE H 1 95 ILE HB . . 3.600 2.583 2.512 2.686 . 0 0 "[ . 1 . 2]" 1
1810 1 95 ILE H 1 95 ILE MD . . 4.450 3.961 3.652 4.312 . 0 0 "[ . 1 . 2]" 1
1811 1 95 ILE H 1 95 ILE HG12 . . 4.310 4.151 3.983 4.288 . 0 0 "[ . 1 . 2]" 1
1812 1 95 ILE H 1 95 ILE HG13 . . 4.330 2.971 2.762 3.253 . 0 0 "[ . 1 . 2]" 1
1813 1 95 ILE H 1 95 ILE MG . . 4.120 3.800 3.740 3.868 . 0 0 "[ . 1 . 2]" 1
1814 1 95 ILE H 1 96 LYS H . . 4.830 4.323 4.210 4.413 . 0 0 "[ . 1 . 2]" 1
1815 1 95 ILE H 1 98 GLN H . . 3.330 3.008 2.795 3.239 . 0 0 "[ . 1 . 2]" 1
1816 1 95 ILE H 1 98 GLN HB2 . . 4.250 3.536 3.329 3.849 . 0 0 "[ . 1 . 2]" 1
1817 1 95 ILE H 1 99 HIS HA . . 4.230 3.847 3.672 4.084 . 0 0 "[ . 1 . 2]" 1
1818 1 95 ILE H 1 100 VAL H . . 4.670 3.759 3.171 4.420 . 0 0 "[ . 1 . 2]" 1
1819 1 95 ILE H 1 100 VAL MG1 . . 4.260 2.624 2.260 2.933 . 0 0 "[ . 1 . 2]" 1
1820 1 95 ILE HA 1 95 ILE MD . . 4.030 3.831 3.726 3.882 . 0 0 "[ . 1 . 2]" 1
1821 1 95 ILE HA 1 95 ILE HG12 . . 4.220 2.569 2.334 2.744 . 0 0 "[ . 1 . 2]" 1
1822 1 95 ILE HA 1 95 ILE MG . . 3.310 2.442 2.316 2.509 . 0 0 "[ . 1 . 2]" 1
1823 1 95 ILE HA 1 96 LYS H . . 3.380 2.146 2.139 2.166 . 0 0 "[ . 1 . 2]" 1
1824 1 95 ILE HA 1 96 LYS HA . . 4.570 4.366 4.362 4.375 . 0 0 "[ . 1 . 2]" 1
1825 1 95 ILE HA 1 97 GLU H . . 4.570 3.929 3.730 4.110 . 0 0 "[ . 1 . 2]" 1
1826 1 95 ILE HB 1 95 ILE MD . . 3.610 2.318 2.194 2.421 . 0 0 "[ . 1 . 2]" 1
1827 1 95 ILE HB 1 100 VAL MG1 . . 3.850 2.818 2.425 3.255 . 0 0 "[ . 1 . 2]" 1
1828 1 95 ILE MD 1 100 VAL MG1 . . 3.400 2.123 1.811 2.603 . 0 0 "[ . 1 . 2]" 1
1829 1 95 ILE HG13 1 95 ILE MG . . 3.530 3.189 3.154 3.202 . 0 0 "[ . 1 . 2]" 1
1830 1 95 ILE HG13 1 100 VAL MG1 . . 3.750 2.474 2.032 2.827 . 0 0 "[ . 1 . 2]" 1
1831 1 95 ILE MG 1 96 LYS H . . 3.750 2.663 2.211 2.929 . 0 0 "[ . 1 . 2]" 1
1832 1 95 ILE MG 1 96 LYS HA . . 4.530 3.880 3.689 4.011 . 0 0 "[ . 1 . 2]" 1
1833 1 95 ILE MG 1 96 LYS HB2 . . 4.240 2.699 2.432 3.254 . 0 0 "[ . 1 . 2]" 1
1834 1 95 ILE MG 1 96 LYS QB . . 3.680 2.658 2.411 3.154 . 0 0 "[ . 1 . 2]" 1
1835 1 95 ILE MG 1 96 LYS HB3 . . 4.240 4.027 3.932 4.237 . 0 0 "[ . 1 . 2]" 1
1836 1 95 ILE MG 1 96 LYS QD . . 3.740 3.106 2.135 3.762 0.022 13 0 "[ . 1 . 2]" 1
1837 1 95 ILE MG 1 96 LYS QE . . 4.350 3.342 1.970 4.290 . 0 0 "[ . 1 . 2]" 1
1838 1 95 ILE MG 1 96 LYS QG . . 3.400 2.183 1.940 2.557 . 0 0 "[ . 1 . 2]" 1
1839 1 96 LYS H 1 96 LYS QG . . 3.880 2.833 2.559 2.994 . 0 0 "[ . 1 . 2]" 1
1840 1 96 LYS H 1 97 GLU H . . 4.170 2.754 2.689 2.861 . 0 0 "[ . 1 . 2]" 1
1841 1 96 LYS H 1 98 GLN H . . 5.160 4.191 4.095 4.316 . 0 0 "[ . 1 . 2]" 1
1842 1 96 LYS HA 1 96 LYS QD . . 4.460 3.912 2.478 4.212 . 0 0 "[ . 1 . 2]" 1
1843 1 96 LYS HA 1 96 LYS QG . . 3.480 2.379 2.252 2.702 . 0 0 "[ . 1 . 2]" 1
1844 1 96 LYS HA 1 97 GLU QB . . 4.470 4.120 3.780 4.264 . 0 0 "[ . 1 . 2]" 1
1845 1 96 LYS QB 1 96 LYS QD . . 3.430 2.159 2.071 2.363 . 0 0 "[ . 1 . 2]" 1
1846 1 96 LYS QB 1 96 LYS QE . . 3.660 2.909 1.907 3.642 . 0 0 "[ . 1 . 2]" 1
1847 1 96 LYS QB 1 98 GLN H . . 4.260 4.229 4.066 4.264 0.004 13 0 "[ . 1 . 2]" 1
1848 1 96 LYS QB 1 98 GLN QE . . 3.790 2.580 2.131 3.419 . 0 0 "[ . 1 . 2]" 1
1849 1 96 LYS HB2 1 96 LYS QE . . 4.200 3.306 2.003 4.129 . 0 0 "[ . 1 . 2]" 1
1850 1 96 LYS HB2 1 97 GLU H . . 4.520 4.308 4.255 4.406 . 0 0 "[ . 1 . 2]" 1
1851 1 96 LYS HB2 1 98 GLN HE21 . . 5.100 2.965 2.317 4.229 . 0 0 "[ . 1 . 2]" 1
1852 1 96 LYS HB2 1 98 GLN HE22 . . 5.100 3.957 3.139 4.649 . 0 0 "[ . 1 . 2]" 1
1853 1 96 LYS HB3 1 96 LYS QE . . 4.200 3.361 2.009 4.132 . 0 0 "[ . 1 . 2]" 1
1854 1 96 LYS HB3 1 97 GLU H . . 4.520 4.401 4.344 4.437 . 0 0 "[ . 1 . 2]" 1
1855 1 96 LYS HB3 1 98 GLN HE21 . . 5.100 3.098 2.271 4.034 . 0 0 "[ . 1 . 2]" 1
1856 1 96 LYS HB3 1 98 GLN HE22 . . 5.100 4.194 3.283 4.937 . 0 0 "[ . 1 . 2]" 1
1857 1 96 LYS QE 1 96 LYS QG . . 3.340 2.263 2.061 2.790 . 0 0 "[ . 1 . 2]" 1
1858 1 97 GLU H 1 97 GLU QG . . 3.740 2.837 2.627 3.829 0.089 17 0 "[ . 1 . 2]" 1
1859 1 97 GLU H 1 98 GLN H . . 3.320 2.702 2.625 2.851 . 0 0 "[ . 1 . 2]" 1
1860 1 97 GLU HA 1 97 GLU QG . . 3.410 2.528 2.255 2.942 . 0 0 "[ . 1 . 2]" 1
1861 1 97 GLU QB 1 98 GLN H . . 4.010 3.864 3.831 3.903 . 0 0 "[ . 1 . 2]" 1
1862 1 98 GLN H 1 98 GLN HB2 . . 3.140 2.850 2.782 2.939 . 0 0 "[ . 1 . 2]" 1
1863 1 98 GLN H 1 98 GLN HG2 . . 4.450 4.282 4.202 4.380 . 0 0 "[ . 1 . 2]" 1
1864 1 98 GLN H 1 98 GLN HG3 . . 4.000 3.337 3.176 3.582 . 0 0 "[ . 1 . 2]" 1
1865 1 98 GLN H 1 99 HIS H . . 4.500 4.193 4.102 4.287 . 0 0 "[ . 1 . 2]" 1
1866 1 98 GLN HA 1 98 GLN HG2 . . 3.880 2.537 2.375 2.677 . 0 0 "[ . 1 . 2]" 1
1867 1 98 GLN HA 1 98 GLN HG3 . . 3.910 3.023 2.939 3.134 . 0 0 "[ . 1 . 2]" 1
1868 1 98 GLN HA 1 99 HIS H . . 2.880 2.163 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
1869 1 98 GLN HA 1 99 HIS HD2 . . 4.440 3.676 2.934 4.407 . 0 0 "[ . 1 . 2]" 1
1870 1 98 GLN HB2 1 98 GLN HE22 . . 5.360 4.007 3.690 4.373 . 0 0 "[ . 1 . 2]" 1
1871 1 98 GLN HB2 1 99 HIS H . . 4.260 4.199 4.069 4.265 0.005 9 0 "[ . 1 . 2]" 1
1872 1 98 GLN HB3 1 99 HIS H . . 3.790 3.231 3.051 3.420 . 0 0 "[ . 1 . 2]" 1
1873 1 98 GLN HG2 1 99 HIS H . . 4.590 4.280 4.010 4.484 . 0 0 "[ . 1 . 2]" 1
1874 1 98 GLN HG3 1 99 HIS H . . 5.120 5.032 4.942 5.100 . 0 0 "[ . 1 . 2]" 1
1875 1 99 HIS H 1 99 HIS HB2 . . 3.670 3.384 2.516 3.630 . 0 0 "[ . 1 . 2]" 1
1876 1 99 HIS H 1 99 HIS QB . . 3.050 2.579 2.328 2.836 . 0 0 "[ . 1 . 2]" 1
1877 1 99 HIS H 1 99 HIS HB3 . . 3.670 2.854 2.359 3.625 . 0 0 "[ . 1 . 2]" 1
1878 1 99 HIS H 1 99 HIS HD2 . . 3.430 2.252 1.921 2.838 . 0 0 "[ . 1 . 2]" 1
1879 1 99 HIS H 1 100 VAL H . . 4.840 4.477 4.325 4.583 . 0 0 "[ . 1 . 2]" 1
1880 1 99 HIS HA 1 100 VAL H . . 3.100 2.157 2.139 2.203 . 0 0 "[ . 1 . 2]" 1
1881 1 99 HIS HA 1 100 VAL MG1 . . 4.620 3.630 3.370 3.787 . 0 0 "[ . 1 . 2]" 1
1882 1 99 HIS QB 1 100 VAL H . . 3.930 3.291 2.932 3.566 . 0 0 "[ . 1 . 2]" 1
1883 1 99 HIS QB 1 103 SER H . . 4.930 4.649 4.347 4.933 0.003 17 0 "[ . 1 . 2]" 1
1884 1 99 HIS QB 1 103 SER QB . . 4.350 3.830 3.475 4.248 . 0 0 "[ . 1 . 2]" 1
1885 1 99 HIS HB2 1 100 VAL H . . 4.620 3.595 3.083 4.348 . 0 0 "[ . 1 . 2]" 1
1886 1 99 HIS HB3 1 100 VAL H . . 4.620 4.077 3.021 4.485 . 0 0 "[ . 1 . 2]" 1
1887 1 100 VAL H 1 100 VAL MG1 . . 3.520 2.197 1.894 2.560 . 0 0 "[ . 1 . 2]" 1
1888 1 100 VAL H 1 100 VAL MG2 . . 3.320 2.130 1.947 2.331 . 0 0 "[ . 1 . 2]" 1
1889 1 100 VAL H 1 103 SER QB . . 4.520 3.305 2.681 3.636 . 0 0 "[ . 1 . 2]" 1
1890 1 100 VAL HA 1 100 VAL MG1 . . 3.260 2.409 2.287 2.505 . 0 0 "[ . 1 . 2]" 1
1891 1 100 VAL HA 1 101 GLN H . . 3.240 2.577 2.482 2.646 . 0 0 "[ . 1 . 2]" 1
1892 1 100 VAL HB 1 101 GLN H . . 3.170 2.080 1.953 2.238 . 0 0 "[ . 1 . 2]" 1
1893 1 100 VAL MG1 1 101 GLN H . . 3.690 3.631 3.564 3.684 . 0 0 "[ . 1 . 2]" 1
1894 1 100 VAL MG2 1 101 GLN H . . 3.540 2.929 2.591 3.145 . 0 0 "[ . 1 . 2]" 1
1895 1 100 VAL MG2 1 102 GLY H . . 5.040 4.856 4.604 5.030 . 0 0 "[ . 1 . 2]" 1
1896 1 100 VAL MG2 1 103 SER H . . 4.190 3.977 3.487 4.179 . 0 0 "[ . 1 . 2]" 1
1897 1 100 VAL MG2 1 103 SER HB2 . . 3.820 2.368 1.896 3.035 . 0 0 "[ . 1 . 2]" 1
1898 1 100 VAL MG2 1 103 SER HB3 . . 3.820 2.375 1.822 3.048 . 0 0 "[ . 1 . 2]" 1
1899 1 101 GLN H 1 101 GLN HB2 . . 3.080 2.637 2.527 2.804 . 0 0 "[ . 1 . 2]" 1
1900 1 101 GLN H 1 101 GLN HB3 . . 3.250 2.432 2.311 2.523 . 0 0 "[ . 1 . 2]" 1
1901 1 101 GLN H 1 101 GLN QG . . 4.090 3.975 3.921 4.070 . 0 0 "[ . 1 . 2]" 1
1902 1 101 GLN H 1 102 GLY H . . 4.720 4.628 4.594 4.647 . 0 0 "[ . 1 . 2]" 1
1903 1 101 GLN HA 1 101 GLN QG . . 3.420 2.507 2.379 2.639 . 0 0 "[ . 1 . 2]" 1
1904 1 101 GLN HA 1 102 GLY H . . 2.750 2.271 2.204 2.387 . 0 0 "[ . 1 . 2]" 1
1905 1 101 GLN HA 1 102 GLY HA2 . . 4.450 4.433 4.414 4.455 0.005 7 0 "[ . 1 . 2]" 1
1906 1 101 GLN HA 1 103 SER H . . 3.850 3.715 3.502 3.846 . 0 0 "[ . 1 . 2]" 1
1907 1 101 GLN HB2 1 101 GLN QE . . 4.520 3.900 2.943 4.356 . 0 0 "[ . 1 . 2]" 1
1908 1 101 GLN HB2 1 102 GLY H . . 4.080 3.922 3.734 4.022 . 0 0 "[ . 1 . 2]" 1
1909 1 101 GLN HB3 1 102 GLY H . . 4.150 3.948 3.662 4.151 0.001 4 0 "[ . 1 . 2]" 1
1910 1 101 GLN QG 1 102 GLY H . . 3.630 2.193 1.872 2.506 . 0 0 "[ . 1 . 2]" 1
1911 1 101 GLN QG 1 102 GLY HA2 . . 4.700 3.724 3.538 4.177 . 0 0 "[ . 1 . 2]" 1
1912 1 101 GLN QG 1 102 GLY HA3 . . 4.280 3.215 2.824 4.086 . 0 0 "[ . 1 . 2]" 1
1913 1 102 GLY H 1 103 SER H . . 3.280 2.897 2.596 3.123 . 0 0 "[ . 1 . 2]" 1
1914 1 103 SER H 1 103 SER HB2 . . 3.900 3.266 2.841 3.776 . 0 0 "[ . 1 . 2]" 1
1915 1 103 SER H 1 103 SER QB . . 3.350 2.815 2.725 2.905 . 0 0 "[ . 1 . 2]" 1
1916 1 103 SER H 1 103 SER HB3 . . 3.900 3.332 2.863 3.899 . 0 0 "[ . 1 . 2]" 1
1917 1 103 SER H 1 103 SER HG . . 4.590 4.463 4.141 4.630 0.040 19 0 "[ . 1 . 2]" 1
1918 1 103 SER H 1 104 PRO HA . . 5.150 4.751 4.677 4.774 . 0 0 "[ . 1 . 2]" 1
1919 1 103 SER HA 1 104 PRO HA . . 3.510 2.262 2.094 2.369 . 0 0 "[ . 1 . 2]" 1
1920 1 103 SER HA 1 105 PHE H . . 3.870 3.287 3.073 3.581 . 0 0 "[ . 1 . 2]" 1
1921 1 103 SER HA 1 105 PHE QD . . 3.870 2.762 2.267 3.144 . 0 0 "[ . 1 . 2]" 1
1922 1 103 SER QB 1 104 PRO HA . . 4.340 2.760 2.072 3.279 . 0 0 "[ . 1 . 2]" 1
1923 1 103 SER HB2 1 104 PRO HA . . 5.140 3.520 3.094 3.835 . 0 0 "[ . 1 . 2]" 1
1924 1 103 SER HB3 1 104 PRO HA . . 5.140 3.191 2.084 4.162 . 0 0 "[ . 1 . 2]" 1
1925 1 103 SER HG 1 104 PRO HA . . 4.490 2.433 1.990 3.010 . 0 0 "[ . 1 . 2]" 1
1926 1 103 SER HG 1 105 PHE H . . 5.180 4.011 3.112 5.082 . 0 0 "[ . 1 . 2]" 1
1927 1 104 PRO HA 1 105 PHE H . . 3.220 2.403 2.295 2.537 . 0 0 "[ . 1 . 2]" 1
1928 1 104 PRO QB 1 105 PHE H . . 3.820 2.536 2.248 2.788 . 0 0 "[ . 1 . 2]" 1
1929 1 104 PRO QB 1 105 PHE HA . . 4.440 4.045 3.972 4.148 . 0 0 "[ . 1 . 2]" 1
1930 1 105 PHE H 1 105 PHE QD . . 3.920 2.953 2.395 3.187 . 0 0 "[ . 1 . 2]" 1
1931 1 105 PHE H 1 105 PHE QE . . 4.980 4.227 3.960 4.387 . 0 0 "[ . 1 . 2]" 1
1932 1 105 PHE H 1 106 THR H . . 4.500 4.417 4.348 4.459 . 0 0 "[ . 1 . 2]" 1
1933 1 105 PHE HA 1 105 PHE QD . . 4.350 3.719 3.700 3.727 . 0 0 "[ . 1 . 2]" 1
1934 1 105 PHE HA 1 106 THR H . . 3.210 2.359 2.231 2.557 . 0 0 "[ . 1 . 2]" 1
1935 1 105 PHE QB 1 106 THR H . . 3.400 2.523 2.101 2.843 . 0 0 "[ . 1 . 2]" 1
1936 1 105 PHE HB2 1 106 THR H . . 4.130 2.563 2.116 2.905 . 0 0 "[ . 1 . 2]" 1
1937 1 105 PHE HB3 1 106 THR H . . 4.130 3.819 3.548 4.043 . 0 0 "[ . 1 . 2]" 1
1938 1 105 PHE QD 1 106 THR H . . 4.120 3.446 2.961 3.875 . 0 0 "[ . 1 . 2]" 1
1939 1 105 PHE QD 1 106 THR HA . . 4.970 4.013 3.732 4.580 . 0 0 "[ . 1 . 2]" 1
1940 1 105 PHE QD 1 107 VAL MG2 . . 3.830 2.282 2.006 2.528 . 0 0 "[ . 1 . 2]" 1
1941 1 105 PHE QE 1 107 VAL HB . . 4.670 4.419 4.114 4.640 . 0 0 "[ . 1 . 2]" 1
1942 1 105 PHE QE 1 107 VAL MG1 . . 5.110 4.017 3.867 4.267 . 0 0 "[ . 1 . 2]" 1
1943 1 105 PHE QE 1 107 VAL MG2 . . 3.330 1.963 1.859 2.170 . 0 0 "[ . 1 . 2]" 1
1944 1 105 PHE HZ 1 107 VAL MG2 . . 4.530 3.796 3.637 4.060 . 0 0 "[ . 1 . 2]" 1
1945 1 106 THR H 1 106 THR HB . . 3.580 3.059 2.589 3.566 . 0 0 "[ . 1 . 2]" 1
1946 1 106 THR H 1 106 THR MG . . 4.220 3.483 2.879 3.869 . 0 0 "[ . 1 . 2]" 1
1947 1 106 THR H 1 107 VAL H . . 4.930 4.579 4.514 4.609 . 0 0 "[ . 1 . 2]" 1
1948 1 106 THR HA 1 106 THR MG . . 3.360 2.147 2.040 2.312 . 0 0 "[ . 1 . 2]" 1
1949 1 106 THR HA 1 107 VAL H . . 2.840 2.304 2.191 2.371 . 0 0 "[ . 1 . 2]" 1
1950 1 106 THR HA 1 107 VAL HB . . 4.870 4.410 4.280 4.533 . 0 0 "[ . 1 . 2]" 1
1951 1 106 THR HB 1 107 VAL H . . 3.920 3.222 2.510 3.778 . 0 0 "[ . 1 . 2]" 1
1952 1 106 THR MG 1 107 VAL H . . 3.400 2.545 1.913 3.298 . 0 0 "[ . 1 . 2]" 1
1953 1 106 THR MG 1 107 VAL HB . . 5.500 4.825 4.238 5.499 . 0 0 "[ . 1 . 2]" 1
1954 1 107 VAL H 1 107 VAL HB . . 3.640 2.732 2.611 2.824 . 0 0 "[ . 1 . 2]" 1
1955 1 107 VAL H 1 107 VAL MG1 . . 3.950 3.841 3.785 3.872 . 0 0 "[ . 1 . 2]" 1
1956 1 107 VAL H 1 107 VAL MG2 . . 3.800 3.090 2.864 3.311 . 0 0 "[ . 1 . 2]" 1
1957 1 107 VAL H 1 108 THR H . . 4.510 4.260 4.073 4.460 . 0 0 "[ . 1 . 2]" 1
1958 1 107 VAL HA 1 107 VAL MG1 . . 3.530 2.446 2.351 2.548 . 0 0 "[ . 1 . 2]" 1
1959 1 107 VAL HA 1 107 VAL MG2 . . 3.480 2.297 2.160 2.413 . 0 0 "[ . 1 . 2]" 1
1960 1 107 VAL HA 1 108 THR H . . 2.860 2.169 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
1961 1 107 VAL HA 1 108 THR HB . . 4.730 4.555 4.275 4.713 . 0 0 "[ . 1 . 2]" 1
1962 1 107 VAL HB 1 108 THR H . . 4.730 4.205 3.965 4.402 . 0 0 "[ . 1 . 2]" 1
1963 1 107 VAL MG1 1 108 THR H . . 3.620 2.373 1.963 2.895 . 0 0 "[ . 1 . 2]" 1
1964 1 107 VAL MG1 1 109 VAL HA . . 4.810 3.788 3.663 3.964 . 0 0 "[ . 1 . 2]" 1
1965 1 107 VAL MG2 1 108 THR H . . 3.940 3.873 3.694 3.951 0.011 13 0 "[ . 1 . 2]" 1
1966 1 108 THR H 1 108 THR HB . . 3.270 2.530 2.430 2.655 . 0 0 "[ . 1 . 2]" 1
1967 1 108 THR H 1 108 THR MG . . 3.870 3.514 2.355 3.864 . 0 0 "[ . 1 . 2]" 1
1968 1 108 THR H 1 109 VAL H . . 4.670 4.327 4.158 4.545 . 0 0 "[ . 1 . 2]" 1
1969 1 108 THR HA 1 108 THR MG . . 3.310 2.521 2.231 3.176 . 0 0 "[ . 1 . 2]" 1
1970 1 108 THR HA 1 109 VAL MG2 . . 4.290 3.738 3.485 4.018 . 0 0 "[ . 1 . 2]" 1
1971 1 108 THR HB 1 109 VAL H . . 4.560 4.364 4.258 4.506 . 0 0 "[ . 1 . 2]" 1
1972 1 108 THR MG 1 109 VAL H . . 3.590 3.109 2.612 3.592 0.002 9 0 "[ . 1 . 2]" 1
1973 1 108 THR MG 1 110 ARG HG2 . . 4.280 3.186 2.686 4.272 . 0 0 "[ . 1 . 2]" 1
1974 1 108 THR MG 1 110 ARG HG3 . . 4.280 3.845 2.996 4.293 0.013 19 0 "[ . 1 . 2]" 1
1975 1 109 VAL H 1 109 VAL HB . . 3.390 2.550 2.437 2.621 . 0 0 "[ . 1 . 2]" 1
1976 1 109 VAL H 1 109 VAL MG1 . . 3.890 3.803 3.758 3.835 . 0 0 "[ . 1 . 2]" 1
1977 1 109 VAL H 1 109 VAL MG2 . . 3.430 2.473 2.200 2.774 . 0 0 "[ . 1 . 2]" 1
1978 1 109 VAL H 1 110 ARG H . . 4.810 4.393 4.117 4.574 . 0 0 "[ . 1 . 2]" 1
1979 1 109 VAL HA 1 109 VAL MG1 . . 3.610 2.402 2.233 2.490 . 0 0 "[ . 1 . 2]" 1
1980 1 109 VAL HA 1 109 VAL MG2 . . 3.400 2.384 2.242 2.502 . 0 0 "[ . 1 . 2]" 1
1981 1 109 VAL HA 1 110 ARG H . . 2.890 2.172 2.146 2.239 . 0 0 "[ . 1 . 2]" 1
1982 1 109 VAL HA 1 110 ARG HA . . 5.210 4.405 4.369 4.451 . 0 0 "[ . 1 . 2]" 1
1983 1 109 VAL HA 1 110 ARG HG2 . . 4.950 4.350 3.304 4.947 . 0 0 "[ . 1 . 2]" 1
1984 1 109 VAL HA 1 110 ARG QG . . 4.120 3.655 3.255 4.099 . 0 0 "[ . 1 . 2]" 1
1985 1 109 VAL HA 1 110 ARG HG3 . . 4.950 4.306 3.357 4.965 0.015 8 0 "[ . 1 . 2]" 1
1986 1 109 VAL HB 1 110 ARG H . . 4.830 4.201 3.875 4.427 . 0 0 "[ . 1 . 2]" 1
1987 1 109 VAL MG1 1 110 ARG H . . 3.640 2.716 2.140 3.216 . 0 0 "[ . 1 . 2]" 1
1988 1 110 ARG H 1 110 ARG HB2 . . 3.760 2.647 2.433 3.729 . 0 0 "[ . 1 . 2]" 1
1989 1 110 ARG H 1 110 ARG QB . . 3.200 2.569 2.396 3.146 . 0 0 "[ . 1 . 2]" 1
1990 1 110 ARG H 1 110 ARG HB3 . . 3.760 3.641 3.390 3.754 . 0 0 "[ . 1 . 2]" 1
1991 1 110 ARG H 1 110 ARG QD . . 4.250 4.043 3.063 4.253 0.003 6 0 "[ . 1 . 2]" 1
1992 1 110 ARG H 1 110 ARG HG2 . . 3.740 2.955 2.309 3.581 . 0 0 "[ . 1 . 2]" 1
1993 1 110 ARG H 1 110 ARG HG3 . . 3.740 2.753 1.902 3.735 . 0 0 "[ . 1 . 2]" 1
1994 1 110 ARG HA 1 110 ARG QD . . 4.410 3.452 2.424 4.246 . 0 0 "[ . 1 . 2]" 1
1995 1 110 ARG HA 1 110 ARG HG2 . . 4.240 2.720 2.333 4.149 . 0 0 "[ . 1 . 2]" 1
1996 1 110 ARG HA 1 110 ARG QG . . 3.630 2.611 2.293 3.352 . 0 0 "[ . 1 . 2]" 1
1997 1 110 ARG HA 1 110 ARG HG3 . . 4.240 3.537 3.171 3.934 . 0 0 "[ . 1 . 2]" 1
1998 1 110 ARG HA 1 111 ARG H . . 2.940 2.553 2.429 2.655 . 0 0 "[ . 1 . 2]" 1
1999 1 110 ARG QB 1 110 ARG QD . . 3.260 2.227 2.023 2.421 . 0 0 "[ . 1 . 2]" 1
2000 1 110 ARG HB2 1 110 ARG QD . . 3.910 2.891 2.045 3.444 . 0 0 "[ . 1 . 2]" 1
2001 1 110 ARG HB2 1 111 ARG H . . 3.380 3.173 1.913 3.380 0.000 15 0 "[ . 1 . 2]" 1
2002 1 110 ARG HB3 1 110 ARG QD . . 3.910 2.421 2.124 3.211 . 0 0 "[ . 1 . 2]" 1
2003 1 110 ARG HB3 1 111 ARG H . . 3.380 2.247 2.003 3.334 . 0 0 "[ . 1 . 2]" 1
2004 1 110 ARG QD 1 111 ARG H . . 4.790 4.027 2.902 4.758 . 0 0 "[ . 1 . 2]" 1
2005 1 111 ARG H 1 111 ARG QB . . 3.140 2.442 2.207 2.856 . 0 0 "[ . 1 . 2]" 1
2006 1 111 ARG H 1 111 ARG QD . . 5.050 3.459 1.896 4.726 . 0 0 "[ . 1 . 2]" 1
2007 1 111 ARG H 1 111 ARG HG2 . . 4.260 3.344 1.920 4.258 . 0 0 "[ . 1 . 2]" 1
2008 1 111 ARG H 1 111 ARG QG . . 3.660 2.720 1.910 3.496 . 0 0 "[ . 1 . 2]" 1
2009 1 111 ARG H 1 111 ARG HG3 . . 4.260 3.361 2.610 4.057 . 0 0 "[ . 1 . 2]" 1
2010 1 111 ARG H 1 112 LYS H . . 4.580 4.507 4.201 4.629 0.049 16 0 "[ . 1 . 2]" 1
2011 1 111 ARG HA 1 111 ARG QD . . 4.440 4.067 3.154 4.421 . 0 0 "[ . 1 . 2]" 1
2012 1 111 ARG HA 1 111 ARG HG2 . . 4.010 3.182 2.215 3.790 . 0 0 "[ . 1 . 2]" 1
2013 1 111 ARG HA 1 111 ARG QG . . 3.380 2.847 2.163 3.373 . 0 0 "[ . 1 . 2]" 1
2014 1 111 ARG HA 1 111 ARG HG3 . . 4.010 3.313 2.310 4.192 0.182 12 0 "[ . 1 . 2]" 1
2015 1 111 ARG HA 1 112 LYS H . . 2.950 2.222 2.139 2.478 . 0 0 "[ . 1 . 2]" 1
2016 1 111 ARG QB 1 111 ARG QD . . 3.300 2.208 2.020 2.670 . 0 0 "[ . 1 . 2]" 1
2017 1 111 ARG QB 1 112 LYS H . . 3.530 2.993 2.357 3.513 . 0 0 "[ . 1 . 2]" 1
2018 1 111 ARG HG2 1 112 LYS H . . 4.880 4.200 2.850 4.881 0.001 2 0 "[ . 1 . 2]" 1
2019 1 111 ARG HG3 1 112 LYS H . . 4.880 4.434 3.810 4.894 0.014 20 0 "[ . 1 . 2]" 1
2020 1 112 LYS H 1 112 LYS HB2 . . 3.880 2.606 2.170 3.673 . 0 0 "[ . 1 . 2]" 1
2021 1 112 LYS H 1 112 LYS QB . . 3.030 2.275 2.124 2.759 . 0 0 "[ . 1 . 2]" 1
2022 1 112 LYS H 1 112 LYS HB3 . . 3.880 2.727 2.226 3.545 . 0 0 "[ . 1 . 2]" 1
2023 1 112 LYS H 1 112 LYS QG . . 4.210 3.701 1.915 4.154 . 0 0 "[ . 1 . 2]" 1
2024 1 112 LYS H 1 113 HIS H . . 4.750 4.584 4.465 4.651 . 0 0 "[ . 1 . 2]" 1
2025 1 112 LYS HA 1 112 LYS QD . . 3.870 3.416 2.110 3.963 0.093 6 0 "[ . 1 . 2]" 1
2026 1 112 LYS HA 1 112 LYS QG . . 3.680 2.509 2.137 3.431 . 0 0 "[ . 1 . 2]" 1
2027 1 112 LYS HA 1 113 HIS H . . 2.840 2.294 2.149 2.584 . 0 0 "[ . 1 . 2]" 1
2028 1 112 LYS QB 1 112 LYS QE . . 4.290 3.264 2.225 3.746 . 0 0 "[ . 1 . 2]" 1
2029 1 112 LYS QB 1 113 HIS H . . 3.740 3.252 2.083 3.736 . 0 0 "[ . 1 . 2]" 1
2030 1 112 LYS HB2 1 112 LYS QE . . 4.950 3.721 2.342 4.389 . 0 0 "[ . 1 . 2]" 1
2031 1 112 LYS HB2 1 113 HIS H . . 4.470 3.844 2.097 4.351 . 0 0 "[ . 1 . 2]" 1
2032 1 112 LYS HB3 1 112 LYS QE . . 4.950 3.767 2.255 4.433 . 0 0 "[ . 1 . 2]" 1
2033 1 112 LYS HB3 1 113 HIS H . . 4.470 3.711 2.200 4.302 . 0 0 "[ . 1 . 2]" 1
2034 1 112 LYS QD 1 113 HIS H . . 4.840 3.612 2.380 4.752 . 0 0 "[ . 1 . 2]" 1
2035 1 112 LYS QG 1 113 HIS H . . 3.830 2.641 1.906 3.812 . 0 0 "[ . 1 . 2]" 1
2036 1 113 HIS H 1 113 HIS HB2 . . 3.640 2.972 2.247 3.637 . 0 0 "[ . 1 . 2]" 1
2037 1 113 HIS H 1 113 HIS QB . . 3.140 2.429 2.171 2.989 . 0 0 "[ . 1 . 2]" 1
2038 1 113 HIS H 1 113 HIS HB3 . . 3.640 2.797 2.290 3.561 . 0 0 "[ . 1 . 2]" 1
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