NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
462134 |
2e6p   |
11229 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2e6p
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 2374
_Distance_constraint_stats_list.Viol_count 783
_Distance_constraint_stats_list.Viol_total 208.570
_Distance_constraint_stats_list.Viol_max 0.132
_Distance_constraint_stats_list.Viol_rms 0.0030
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0133
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.012 0.006 20 0 "[ . 1 . 2]"
1 9 VAL 0.086 0.016 13 0 "[ . 1 . 2]"
1 10 HIS 0.072 0.021 14 0 "[ . 1 . 2]"
1 11 ILE 1.501 0.109 18 0 "[ . 1 . 2]"
1 12 LEU 1.441 0.109 18 0 "[ . 1 . 2]"
1 13 SER 0.062 0.018 8 0 "[ . 1 . 2]"
1 14 PRO 0.061 0.020 8 0 "[ . 1 . 2]"
1 15 GLN 0.143 0.086 12 0 "[ . 1 . 2]"
1 16 ASP 0.170 0.041 5 0 "[ . 1 . 2]"
1 17 LYS 0.162 0.041 5 0 "[ . 1 . 2]"
1 18 VAL 0.352 0.040 5 0 "[ . 1 . 2]"
1 19 SER 0.027 0.008 5 0 "[ . 1 . 2]"
1 20 LEU 0.029 0.009 8 0 "[ . 1 . 2]"
1 21 THR 0.003 0.002 11 0 "[ . 1 . 2]"
1 22 PHE 0.041 0.011 12 0 "[ . 1 . 2]"
1 23 THR 0.211 0.022 4 0 "[ . 1 . 2]"
1 24 THR 0.032 0.007 3 0 "[ . 1 . 2]"
1 25 SER 0.025 0.009 8 0 "[ . 1 . 2]"
1 26 GLU 0.043 0.011 12 0 "[ . 1 . 2]"
1 27 ARG 0.156 0.031 18 0 "[ . 1 . 2]"
1 28 VAL 0.047 0.019 18 0 "[ . 1 . 2]"
1 29 VAL 0.829 0.085 8 0 "[ . 1 . 2]"
1 30 LEU 0.151 0.069 18 0 "[ . 1 . 2]"
1 31 THR 0.228 0.043 18 0 "[ . 1 . 2]"
1 32 CYS 0.040 0.018 8 0 "[ . 1 . 2]"
1 33 GLU 0.161 0.034 9 0 "[ . 1 . 2]"
1 34 LEU 0.081 0.014 14 0 "[ . 1 . 2]"
1 35 SER 0.033 0.008 19 0 "[ . 1 . 2]"
1 36 ARG 0.046 0.014 4 0 "[ . 1 . 2]"
1 37 VAL 0.113 0.039 10 0 "[ . 1 . 2]"
1 38 ASP 0.021 0.008 10 0 "[ . 1 . 2]"
1 39 PHE 0.117 0.063 16 0 "[ . 1 . 2]"
1 40 PRO 0.010 0.005 20 0 "[ . 1 . 2]"
1 41 ALA 0.065 0.035 16 0 "[ . 1 . 2]"
1 42 THR 0.023 0.008 16 0 "[ . 1 . 2]"
1 43 TRP 0.057 0.012 3 0 "[ . 1 . 2]"
1 44 TYR 0.037 0.009 8 0 "[ . 1 . 2]"
1 45 LYS 0.217 0.061 18 0 "[ . 1 . 2]"
1 46 ASP 0.183 0.072 15 0 "[ . 1 . 2]"
1 47 GLY 0.281 0.111 15 0 "[ . 1 . 2]"
1 48 GLN 0.745 0.111 15 0 "[ . 1 . 2]"
1 49 LYS 0.114 0.028 18 0 "[ . 1 . 2]"
1 50 VAL 0.101 0.024 14 0 "[ . 1 . 2]"
1 51 GLU 0.093 0.070 20 0 "[ . 1 . 2]"
1 52 GLU 0.242 0.027 18 0 "[ . 1 . 2]"
1 53 SER 0.114 0.016 14 0 "[ . 1 . 2]"
1 54 GLU 0.094 0.037 15 0 "[ . 1 . 2]"
1 55 LEU 0.090 0.013 1 0 "[ . 1 . 2]"
1 56 LEU 0.184 0.026 6 0 "[ . 1 . 2]"
1 57 VAL 0.208 0.021 11 0 "[ . 1 . 2]"
1 58 VAL 0.140 0.063 6 0 "[ . 1 . 2]"
1 59 LYS 0.106 0.024 19 0 "[ . 1 . 2]"
1 60 MET 0.046 0.013 13 0 "[ . 1 . 2]"
1 61 ASP 0.146 0.034 15 0 "[ . 1 . 2]"
1 62 GLY 0.215 0.039 10 0 "[ . 1 . 2]"
1 63 ARG 0.467 0.078 7 0 "[ . 1 . 2]"
1 64 LYS 0.110 0.029 14 0 "[ . 1 . 2]"
1 65 HIS 0.076 0.023 16 0 "[ . 1 . 2]"
1 66 ARG 0.366 0.094 18 0 "[ . 1 . 2]"
1 67 LEU 0.241 0.039 18 0 "[ . 1 . 2]"
1 68 ILE 2.462 0.085 8 0 "[ . 1 . 2]"
1 69 LEU 0.277 0.024 8 0 "[ . 1 . 2]"
1 70 PRO 1.834 0.068 17 0 "[ . 1 . 2]"
1 71 GLU 0.353 0.025 17 0 "[ . 1 . 2]"
1 72 ALA 0.181 0.090 19 0 "[ . 1 . 2]"
1 73 LYS 0.271 0.090 19 0 "[ . 1 . 2]"
1 74 VAL 0.049 0.023 3 0 "[ . 1 . 2]"
1 75 GLN 0.002 0.001 8 0 "[ . 1 . 2]"
1 76 ASP 0.180 0.078 7 0 "[ . 1 . 2]"
1 77 SER 0.199 0.072 3 0 "[ . 1 . 2]"
1 78 GLY 0.033 0.008 13 0 "[ . 1 . 2]"
1 79 GLU 0.031 0.018 12 0 "[ . 1 . 2]"
1 80 PHE 0.028 0.007 17 0 "[ . 1 . 2]"
1 81 GLU 0.012 0.006 3 0 "[ . 1 . 2]"
1 82 CYS 0.022 0.006 17 0 "[ . 1 . 2]"
1 83 ARG 0.075 0.035 16 0 "[ . 1 . 2]"
1 84 THR 0.245 0.132 13 0 "[ . 1 . 2]"
1 85 GLU 0.335 0.132 13 0 "[ . 1 . 2]"
1 86 GLY 0.003 0.003 14 0 "[ . 1 . 2]"
1 87 VAL 0.156 0.035 13 0 "[ . 1 . 2]"
1 88 SER 0.133 0.028 3 0 "[ . 1 . 2]"
1 89 ALA 0.004 0.002 15 0 "[ . 1 . 2]"
1 90 PHE 0.033 0.007 16 0 "[ . 1 . 2]"
1 91 PHE 0.079 0.019 15 0 "[ . 1 . 2]"
1 92 GLY 0.034 0.006 7 0 "[ . 1 . 2]"
1 93 VAL 0.026 0.010 8 0 "[ . 1 . 2]"
1 94 THR 0.006 0.004 12 0 "[ . 1 . 2]"
1 95 VAL 0.279 0.072 3 0 "[ . 1 . 2]"
1 96 GLN 0.077 0.020 8 0 "[ . 1 . 2]"
1 97 ASP 0.014 0.007 3 0 "[ . 1 . 2]"
1 98 PRO 0.134 0.022 4 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 PRO 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 7 GLY QA 1 8 PRO HD2 . . 3.040 2.065 1.907 2.238 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 PRO HD3 . . 3.040 2.396 2.235 2.766 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 PRO HG2 . . 5.080 4.033 3.985 4.067 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 8 PRO QG . . 4.370 3.684 3.642 3.762 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 8 PRO HG3 . . 5.080 4.262 4.185 4.450 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 9 VAL H . . 4.640 3.738 3.650 3.801 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HA 1 9 VAL HA . . 4.800 4.627 4.562 4.711 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO QB 1 39 PHE QE . . 4.640 4.112 3.552 4.260 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO QB 1 39 PHE HZ . . 4.780 3.694 3.354 4.096 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HB2 1 9 VAL H . . 3.930 2.911 2.870 2.978 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HB2 1 39 PHE QE . . 5.500 4.260 3.630 4.437 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO HB2 1 39 PHE HZ . . 5.500 3.790 3.422 4.226 . 0 0 "[ . 1 . 2]" 1
13 1 8 PRO HB3 1 9 VAL H . . 3.930 3.897 3.873 3.935 0.005 13 0 "[ . 1 . 2]" 1
14 1 8 PRO HB3 1 39 PHE QE . . 5.500 5.427 5.043 5.506 0.006 20 0 "[ . 1 . 2]" 1
15 1 8 PRO HB3 1 39 PHE HZ . . 5.500 5.121 4.742 5.500 0.000 11 0 "[ . 1 . 2]" 1
16 1 8 PRO QD 1 9 VAL H . . 4.270 2.695 2.669 2.712 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO HD2 1 9 VAL H . . 5.040 2.750 2.721 2.768 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HD3 1 9 VAL H . . 5.040 3.872 3.860 3.879 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO QG 1 9 VAL H . . 3.830 1.921 1.889 1.976 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO QG 1 9 VAL QG . . 4.080 2.652 2.325 3.037 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HG2 1 9 VAL H . . 4.670 1.929 1.896 1.986 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO HG3 1 9 VAL H . . 4.670 3.551 3.526 3.595 . 0 0 "[ . 1 . 2]" 1
23 1 9 VAL H 1 9 VAL HB . . 3.500 3.390 2.909 3.511 0.011 7 0 "[ . 1 . 2]" 1
24 1 9 VAL H 1 9 VAL MG1 . . 4.040 2.341 1.912 2.656 . 0 0 "[ . 1 . 2]" 1
25 1 9 VAL H 1 9 VAL QG . . 2.990 2.324 1.908 2.623 . 0 0 "[ . 1 . 2]" 1
26 1 9 VAL H 1 9 VAL MG2 . . 4.040 3.956 3.812 4.049 0.009 3 0 "[ . 1 . 2]" 1
27 1 9 VAL HA 1 9 VAL MG1 . . 3.750 3.189 3.172 3.203 . 0 0 "[ . 1 . 2]" 1
28 1 9 VAL HA 1 9 VAL QG . . 3.040 2.311 2.111 2.416 . 0 0 "[ . 1 . 2]" 1
29 1 9 VAL HA 1 9 VAL MG2 . . 3.750 2.374 2.143 2.505 . 0 0 "[ . 1 . 2]" 1
30 1 9 VAL HA 1 10 HIS H . . 2.900 2.173 2.141 2.305 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL HA 1 35 SER QB . . 4.920 2.977 2.331 3.817 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL HA 1 36 ARG QD . . 4.600 3.819 3.233 4.475 . 0 0 "[ . 1 . 2]" 1
33 1 9 VAL HA 1 36 ARG HG2 . . 4.540 3.926 2.723 4.522 . 0 0 "[ . 1 . 2]" 1
34 1 9 VAL HA 1 36 ARG HG3 . . 4.540 2.873 2.233 3.887 . 0 0 "[ . 1 . 2]" 1
35 1 9 VAL HB 1 10 HIS H . . 4.310 4.159 3.991 4.326 0.016 13 0 "[ . 1 . 2]" 1
36 1 9 VAL HB 1 35 SER H . . 5.500 4.733 4.312 5.228 . 0 0 "[ . 1 . 2]" 1
37 1 9 VAL HB 1 36 ARG HD2 . . 4.900 3.026 1.997 4.902 0.002 20 0 "[ . 1 . 2]" 1
38 1 9 VAL HB 1 36 ARG QD . . 4.180 2.631 1.985 4.057 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL HB 1 36 ARG HD3 . . 4.900 3.306 2.168 4.910 0.010 4 0 "[ . 1 . 2]" 1
40 1 9 VAL HB 1 36 ARG QG . . 4.590 2.206 1.966 2.605 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL HB 1 39 PHE QE . . 4.890 3.773 3.149 4.239 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL HB 1 39 PHE HZ . . 5.240 4.164 3.325 4.744 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL QG 1 10 HIS H . . 3.180 2.355 1.863 2.779 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL QG 1 34 LEU HA . . 4.340 3.632 3.360 3.925 . 0 0 "[ . 1 . 2]" 1
45 1 9 VAL QG 1 34 LEU HB2 . . 4.160 3.841 3.482 4.162 0.002 11 0 "[ . 1 . 2]" 1
46 1 9 VAL QG 1 34 LEU HB3 . . 3.370 2.503 2.188 2.805 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL QG 1 34 LEU MD1 . . 3.370 2.903 2.288 3.334 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL QG 1 34 LEU MD2 . . 3.070 2.288 1.970 2.891 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL QG 1 35 SER H . . 3.510 2.195 1.863 2.460 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL QG 1 35 SER QB . . 4.020 2.822 2.056 3.669 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL QG 1 36 ARG H . . 3.570 2.618 1.960 3.113 . 0 0 "[ . 1 . 2]" 1
52 1 9 VAL QG 1 36 ARG QB . . 3.720 2.226 1.934 3.692 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL QG 1 36 ARG QD . . 3.750 3.108 2.557 3.745 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL QG 1 36 ARG QG . . 3.300 2.314 1.890 3.058 . 0 0 "[ . 1 . 2]" 1
55 1 9 VAL QG 1 39 PHE QB . . 4.760 3.389 3.121 3.696 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL QG 1 39 PHE QD . . 3.720 3.016 2.530 3.626 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL QG 1 39 PHE QE . . 3.400 2.446 1.895 3.267 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL QG 1 39 PHE HZ . . 4.720 2.899 2.170 3.300 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL QG 1 84 THR HG1 . . 4.710 2.335 1.968 3.012 . 0 0 "[ . 1 . 2]" 1
60 1 9 VAL QG 1 84 THR MG . . 2.780 2.372 1.927 2.785 0.005 3 0 "[ . 1 . 2]" 1
61 1 9 VAL QG 1 85 GLU H . . 3.900 3.268 3.010 3.570 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL QG 1 85 GLU HA . . 4.880 4.229 3.846 4.745 . 0 0 "[ . 1 . 2]" 1
63 1 9 VAL QG 1 85 GLU QB . . 3.470 2.412 1.705 3.058 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL QG 1 85 GLU QG . . 4.280 3.537 2.384 4.278 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL MG1 1 10 HIS H . . 4.210 3.942 3.456 4.150 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL MG1 1 39 PHE QD . . 4.570 3.384 2.795 4.142 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL MG1 1 39 PHE QE . . 4.290 2.479 1.904 3.388 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL MG1 1 84 THR HB . . 4.930 4.403 4.127 4.808 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL MG1 1 84 THR MG . . 3.510 2.508 1.966 3.054 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL MG2 1 10 HIS H . . 4.210 2.375 1.870 2.823 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL MG2 1 39 PHE QD . . 4.570 3.428 2.664 4.007 . 0 0 "[ . 1 . 2]" 1
72 1 9 VAL MG2 1 39 PHE QE . . 4.290 3.840 3.087 4.295 0.005 14 0 "[ . 1 . 2]" 1
73 1 9 VAL MG2 1 84 THR HB . . 4.930 4.681 4.331 4.922 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL MG2 1 84 THR MG . . 3.510 3.038 2.429 3.379 . 0 0 "[ . 1 . 2]" 1
75 1 10 HIS H 1 10 HIS QB . . 3.620 3.065 2.838 3.258 . 0 0 "[ . 1 . 2]" 1
76 1 10 HIS H 1 11 ILE H . . 4.510 4.373 4.180 4.531 0.021 14 0 "[ . 1 . 2]" 1
77 1 10 HIS H 1 12 LEU QD . . 4.960 4.019 3.746 4.322 . 0 0 "[ . 1 . 2]" 1
78 1 10 HIS H 1 34 LEU HB3 . . 5.500 5.043 4.681 5.499 . 0 0 "[ . 1 . 2]" 1
79 1 10 HIS H 1 35 SER HB2 . . 4.130 2.857 1.977 3.840 . 0 0 "[ . 1 . 2]" 1
80 1 10 HIS H 1 35 SER QB . . 3.580 2.180 1.843 2.856 . 0 0 "[ . 1 . 2]" 1
81 1 10 HIS H 1 35 SER HB3 . . 4.130 2.422 1.899 3.694 . 0 0 "[ . 1 . 2]" 1
82 1 10 HIS H 1 36 ARG QG . . 5.340 4.157 3.791 4.556 . 0 0 "[ . 1 . 2]" 1
83 1 10 HIS HA 1 11 ILE H . . 2.920 2.225 2.154 2.407 . 0 0 "[ . 1 . 2]" 1
84 1 10 HIS HA 1 11 ILE QG . . 4.630 3.770 3.403 4.029 . 0 0 "[ . 1 . 2]" 1
85 1 10 HIS HA 1 87 VAL MG1 . . 3.480 3.046 2.355 3.454 . 0 0 "[ . 1 . 2]" 1
86 1 10 HIS HA 1 87 VAL MG2 . . 3.600 2.198 1.972 2.405 . 0 0 "[ . 1 . 2]" 1
87 1 10 HIS QB 1 11 ILE H . . 3.220 2.910 2.392 3.170 . 0 0 "[ . 1 . 2]" 1
88 1 10 HIS QB 1 12 LEU QD . . 4.440 3.863 3.582 4.081 . 0 0 "[ . 1 . 2]" 1
89 1 10 HIS HB2 1 11 ILE H . . 4.080 2.995 2.423 3.304 . 0 0 "[ . 1 . 2]" 1
90 1 10 HIS HB2 1 87 VAL MG1 . . 5.500 4.032 3.455 4.481 . 0 0 "[ . 1 . 2]" 1
91 1 10 HIS HB2 1 87 VAL MG2 . . 5.500 3.847 3.150 4.455 . 0 0 "[ . 1 . 2]" 1
92 1 10 HIS HB3 1 11 ILE H . . 4.080 4.003 3.687 4.086 0.006 17 0 "[ . 1 . 2]" 1
93 1 10 HIS HB3 1 87 VAL MG1 . . 5.500 3.884 3.455 4.320 . 0 0 "[ . 1 . 2]" 1
94 1 10 HIS HB3 1 87 VAL MG2 . . 5.500 4.031 3.483 4.345 . 0 0 "[ . 1 . 2]" 1
95 1 10 HIS HD2 1 11 ILE H . . 5.500 4.608 3.708 5.383 . 0 0 "[ . 1 . 2]" 1
96 1 10 HIS HD2 1 12 LEU HA . . 5.500 4.043 3.487 4.720 . 0 0 "[ . 1 . 2]" 1
97 1 10 HIS HD2 1 12 LEU QD . . 3.930 2.228 1.815 3.002 . 0 0 "[ . 1 . 2]" 1
98 1 10 HIS HD2 1 35 SER QB . . 5.320 3.457 2.210 4.667 . 0 0 "[ . 1 . 2]" 1
99 1 10 HIS HE1 1 12 LEU QD . . 4.480 4.238 3.327 4.488 0.008 9 0 "[ . 1 . 2]" 1
100 1 10 HIS HE1 1 35 SER HB2 . . 5.240 3.732 2.276 4.659 . 0 0 "[ . 1 . 2]" 1
101 1 10 HIS HE1 1 35 SER QB . . 4.470 3.338 2.111 4.285 . 0 0 "[ . 1 . 2]" 1
102 1 10 HIS HE1 1 35 SER HB3 . . 5.240 3.855 2.499 5.004 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE H 1 11 ILE HB . . 2.940 2.441 2.337 2.620 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE H 1 11 ILE MD . . 3.990 3.408 3.168 3.804 . 0 0 "[ . 1 . 2]" 1
105 1 11 ILE H 1 11 ILE HG12 . . 4.130 3.714 2.323 4.009 . 0 0 "[ . 1 . 2]" 1
106 1 11 ILE H 1 11 ILE QG . . 3.380 2.371 1.931 2.663 . 0 0 "[ . 1 . 2]" 1
107 1 11 ILE H 1 11 ILE HG13 . . 4.130 2.453 1.942 3.420 . 0 0 "[ . 1 . 2]" 1
108 1 11 ILE H 1 11 ILE MG . . 3.780 3.744 3.706 3.795 0.015 14 0 "[ . 1 . 2]" 1
109 1 11 ILE H 1 87 VAL MG2 . . 3.380 2.081 1.756 2.672 . 0 0 "[ . 1 . 2]" 1
110 1 11 ILE HA 1 11 ILE MD . . 3.930 3.771 2.465 3.891 . 0 0 "[ . 1 . 2]" 1
111 1 11 ILE HA 1 11 ILE HG12 . . 3.800 2.679 2.546 2.774 . 0 0 "[ . 1 . 2]" 1
112 1 11 ILE HA 1 11 ILE QG . . 3.280 2.400 2.313 2.709 . 0 0 "[ . 1 . 2]" 1
113 1 11 ILE HA 1 11 ILE HG13 . . 3.800 2.744 2.489 3.794 . 0 0 "[ . 1 . 2]" 1
114 1 11 ILE HA 1 11 ILE MG . . 3.160 2.417 2.269 2.506 . 0 0 "[ . 1 . 2]" 1
115 1 11 ILE HA 1 12 LEU H . . 2.950 2.221 2.156 2.276 . 0 0 "[ . 1 . 2]" 1
116 1 11 ILE HA 1 12 LEU HB2 . . 5.030 4.945 4.873 5.014 . 0 0 "[ . 1 . 2]" 1
117 1 11 ILE HA 1 12 LEU HB3 . . 5.500 5.565 5.533 5.609 0.109 18 0 "[ . 1 . 2]" 1
118 1 11 ILE HA 1 13 SER H . . 4.040 3.955 3.729 4.046 0.006 7 0 "[ . 1 . 2]" 1
119 1 11 ILE HA 1 34 LEU HA . . 3.420 2.387 2.208 2.591 . 0 0 "[ . 1 . 2]" 1
120 1 11 ILE HA 1 34 LEU HB3 . . 5.030 4.535 4.177 4.836 . 0 0 "[ . 1 . 2]" 1
121 1 11 ILE HA 1 34 LEU MD2 . . 3.460 2.485 2.066 2.872 . 0 0 "[ . 1 . 2]" 1
122 1 11 ILE HA 1 35 SER H . . 4.290 3.964 3.800 4.203 . 0 0 "[ . 1 . 2]" 1
123 1 11 ILE HB 1 11 ILE MD . . 3.180 2.270 2.134 3.171 . 0 0 "[ . 1 . 2]" 1
124 1 11 ILE HB 1 12 LEU H . . 4.510 4.032 3.840 4.223 . 0 0 "[ . 1 . 2]" 1
125 1 11 ILE HB 1 87 VAL MG2 . . 4.170 2.932 1.977 4.082 . 0 0 "[ . 1 . 2]" 1
126 1 11 ILE MD 1 11 ILE MG . . 2.650 2.206 1.829 2.414 . 0 0 "[ . 1 . 2]" 1
127 1 11 ILE MD 1 32 CYS HG . . 3.860 3.439 2.785 3.780 . 0 0 "[ . 1 . 2]" 1
128 1 11 ILE MD 1 84 THR MG . . 3.450 3.071 2.685 3.451 0.001 20 0 "[ . 1 . 2]" 1
129 1 11 ILE MD 1 87 VAL H . . 5.250 4.437 3.692 5.035 . 0 0 "[ . 1 . 2]" 1
130 1 11 ILE MD 1 87 VAL HB . . 3.510 3.029 2.500 3.518 0.008 14 0 "[ . 1 . 2]" 1
131 1 11 ILE MD 1 87 VAL MG2 . . 2.960 2.123 1.789 2.685 . 0 0 "[ . 1 . 2]" 1
132 1 11 ILE MD 1 88 SER H . . 3.970 3.010 2.529 3.817 . 0 0 "[ . 1 . 2]" 1
133 1 11 ILE MD 1 88 SER HA . . 3.600 2.386 1.991 2.981 . 0 0 "[ . 1 . 2]" 1
134 1 11 ILE MD 1 89 ALA H . . 3.640 2.796 2.302 3.180 . 0 0 "[ . 1 . 2]" 1
135 1 11 ILE MD 1 89 ALA HA . . 3.910 2.965 2.556 3.569 . 0 0 "[ . 1 . 2]" 1
136 1 11 ILE MD 1 89 ALA MB . . 2.830 2.115 1.865 2.461 . 0 0 "[ . 1 . 2]" 1
137 1 11 ILE MD 1 91 PHE QE . . 5.500 4.903 4.319 5.137 . 0 0 "[ . 1 . 2]" 1
138 1 11 ILE QG 1 34 LEU MD2 . . 3.290 2.018 1.761 2.742 . 0 0 "[ . 1 . 2]" 1
139 1 11 ILE QG 1 87 VAL HB . . 4.500 4.008 2.321 4.429 . 0 0 "[ . 1 . 2]" 1
140 1 11 ILE QG 1 87 VAL MG2 . . 2.990 2.075 1.925 2.460 . 0 0 "[ . 1 . 2]" 1
141 1 11 ILE HG12 1 34 LEU MD2 . . 3.790 2.139 1.906 2.812 . 0 0 "[ . 1 . 2]" 1
142 1 11 ILE HG13 1 34 LEU MD2 . . 3.790 2.560 1.918 3.804 0.014 14 0 "[ . 1 . 2]" 1
143 1 11 ILE MG 1 12 LEU H . . 3.310 2.172 1.935 2.416 . 0 0 "[ . 1 . 2]" 1
144 1 11 ILE MG 1 12 LEU HA . . 4.580 3.634 3.487 3.940 . 0 0 "[ . 1 . 2]" 1
145 1 11 ILE MG 1 13 SER H . . 3.050 2.230 2.006 2.357 . 0 0 "[ . 1 . 2]" 1
146 1 11 ILE MG 1 13 SER HA . . 4.240 3.448 3.289 3.577 . 0 0 "[ . 1 . 2]" 1
147 1 11 ILE MG 1 13 SER HB2 . . 5.160 4.753 4.404 5.011 . 0 0 "[ . 1 . 2]" 1
148 1 11 ILE MG 1 13 SER QB . . 4.530 4.158 3.995 4.364 . 0 0 "[ . 1 . 2]" 1
149 1 11 ILE MG 1 13 SER HB3 . . 5.160 4.626 4.324 5.034 . 0 0 "[ . 1 . 2]" 1
150 1 11 ILE MG 1 14 PRO HA . . 4.750 4.612 4.369 4.720 . 0 0 "[ . 1 . 2]" 1
151 1 11 ILE MG 1 14 PRO HD2 . . 3.720 3.210 2.927 3.314 . 0 0 "[ . 1 . 2]" 1
152 1 11 ILE MG 1 14 PRO HD3 . . 4.530 4.466 4.181 4.543 0.013 11 0 "[ . 1 . 2]" 1
153 1 11 ILE MG 1 15 GLN HA . . 4.090 3.926 3.451 4.104 0.014 11 0 "[ . 1 . 2]" 1
154 1 11 ILE MG 1 15 GLN HG2 . . 5.500 5.280 3.805 5.489 . 0 0 "[ . 1 . 2]" 1
155 1 11 ILE MG 1 15 GLN HG3 . . 5.500 5.399 5.055 5.506 0.006 2 0 "[ . 1 . 2]" 1
156 1 11 ILE MG 1 32 CYS HA . . 4.430 4.293 4.038 4.434 0.004 4 0 "[ . 1 . 2]" 1
157 1 11 ILE MG 1 32 CYS HG . . 3.520 2.667 2.138 3.234 . 0 0 "[ . 1 . 2]" 1
158 1 11 ILE MG 1 33 GLU H . . 3.880 3.089 2.841 3.458 . 0 0 "[ . 1 . 2]" 1
159 1 11 ILE MG 1 33 GLU HB2 . . 5.330 4.909 4.571 5.239 . 0 0 "[ . 1 . 2]" 1
160 1 11 ILE MG 1 34 LEU HA . . 4.660 3.757 3.605 3.893 . 0 0 "[ . 1 . 2]" 1
161 1 11 ILE MG 1 89 ALA HA . . 4.670 4.062 3.524 4.313 . 0 0 "[ . 1 . 2]" 1
162 1 11 ILE MG 1 89 ALA MB . . 3.020 2.607 2.260 2.961 . 0 0 "[ . 1 . 2]" 1
163 1 12 LEU H 1 12 LEU HB2 . . 3.540 2.839 2.774 2.899 . 0 0 "[ . 1 . 2]" 1
164 1 12 LEU H 1 12 LEU HB3 . . 3.760 3.717 3.634 3.775 0.015 10 0 "[ . 1 . 2]" 1
165 1 12 LEU H 1 12 LEU MD1 . . 4.270 3.732 3.526 3.917 . 0 0 "[ . 1 . 2]" 1
166 1 12 LEU H 1 12 LEU QD . . 3.720 2.970 2.630 3.150 . 0 0 "[ . 1 . 2]" 1
167 1 12 LEU H 1 12 LEU MD2 . . 4.270 3.129 2.681 3.407 . 0 0 "[ . 1 . 2]" 1
168 1 12 LEU H 1 12 LEU HG . . 3.450 2.225 1.979 2.412 . 0 0 "[ . 1 . 2]" 1
169 1 12 LEU H 1 13 SER H . . 2.980 2.061 1.939 2.257 . 0 0 "[ . 1 . 2]" 1
170 1 12 LEU H 1 33 GLU H . . 4.690 4.047 3.874 4.243 . 0 0 "[ . 1 . 2]" 1
171 1 12 LEU H 1 33 GLU HB3 . . 4.870 3.098 2.727 3.407 . 0 0 "[ . 1 . 2]" 1
172 1 12 LEU H 1 34 LEU HA . . 3.670 3.159 2.855 3.356 . 0 0 "[ . 1 . 2]" 1
173 1 12 LEU H 1 34 LEU MD2 . . 4.370 3.974 3.656 4.304 . 0 0 "[ . 1 . 2]" 1
174 1 12 LEU H 1 35 SER H . . 5.220 5.030 4.659 5.225 0.005 11 0 "[ . 1 . 2]" 1
175 1 12 LEU HA 1 12 LEU MD1 . . 4.100 3.964 3.856 4.006 . 0 0 "[ . 1 . 2]" 1
176 1 12 LEU HA 1 12 LEU QD . . 2.730 2.272 2.007 2.462 . 0 0 "[ . 1 . 2]" 1
177 1 12 LEU HA 1 12 LEU MD2 . . 4.100 2.287 2.013 2.485 . 0 0 "[ . 1 . 2]" 1
178 1 12 LEU HA 1 12 LEU HG . . 3.820 3.415 3.309 3.582 . 0 0 "[ . 1 . 2]" 1
179 1 12 LEU HB2 1 13 SER H . . 3.480 2.795 2.677 2.949 . 0 0 "[ . 1 . 2]" 1
180 1 12 LEU HB2 1 13 SER HB2 . . 5.260 3.771 3.333 5.114 . 0 0 "[ . 1 . 2]" 1
181 1 12 LEU HB2 1 13 SER QB . . 4.380 3.355 3.221 3.647 . 0 0 "[ . 1 . 2]" 1
182 1 12 LEU HB2 1 13 SER HB3 . . 5.260 4.101 3.416 5.113 . 0 0 "[ . 1 . 2]" 1
183 1 12 LEU HB2 1 33 GLU HB2 . . 4.640 4.009 3.750 4.213 . 0 0 "[ . 1 . 2]" 1
184 1 12 LEU HB2 1 33 GLU HB3 . . 4.180 2.550 2.254 2.678 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU HB2 1 33 GLU HG2 . . 4.180 3.073 2.832 3.465 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU HB2 1 33 GLU HG3 . . 4.600 4.500 4.276 4.619 0.019 8 0 "[ . 1 . 2]" 1
187 1 12 LEU HB3 1 12 LEU MD1 . . 3.150 2.395 2.221 2.527 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU HB3 1 12 LEU QD . . 2.730 2.113 2.049 2.155 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU HB3 1 12 LEU MD2 . . 3.150 2.363 2.225 2.524 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU HB3 1 13 SER H . . 4.120 4.045 3.968 4.132 0.012 18 0 "[ . 1 . 2]" 1
191 1 12 LEU HB3 1 13 SER QB . . 5.110 4.353 4.078 4.787 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU HB3 1 33 GLU HB3 . . 4.400 4.298 4.015 4.410 0.010 3 0 "[ . 1 . 2]" 1
193 1 12 LEU HB3 1 33 GLU HG2 . . 4.780 4.469 4.291 4.775 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU QD 1 13 SER QB . . 5.280 4.397 4.258 4.748 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU QD 1 33 GLU HB2 . . 4.810 4.224 3.877 4.643 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU QD 1 33 GLU HB3 . . 4.000 3.314 2.826 3.662 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU QD 1 33 GLU HG2 . . 3.500 2.045 1.839 2.456 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU QD 1 33 GLU HG3 . . 4.250 3.367 2.884 3.867 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU QD 1 35 SER H . . 4.320 3.557 3.228 3.914 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU QD 1 35 SER HA . . 2.940 2.557 1.999 2.809 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU QD 1 35 SER QB . . 3.260 2.232 1.945 3.208 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU QD 1 63 ARG QD . . 3.810 3.286 2.939 3.651 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU QD 1 63 ARG QG . . 5.280 4.643 3.954 5.087 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU MD1 1 13 SER H . . 4.610 4.395 4.252 4.609 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU MD1 1 35 SER H . . 5.180 4.344 3.916 4.717 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU MD1 1 35 SER HA . . 3.640 2.784 2.051 3.168 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU MD2 1 13 SER H . . 4.610 4.452 4.186 4.584 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU MD2 1 35 SER H . . 5.180 3.793 3.406 4.345 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU MD2 1 35 SER HA . . 3.640 3.095 2.361 3.648 0.008 19 0 "[ . 1 . 2]" 1
210 1 12 LEU HG 1 13 SER H . . 4.890 3.745 3.652 3.869 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU HG 1 34 LEU HA . . 4.960 3.102 2.798 3.346 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU HG 1 35 SER H . . 4.950 4.076 3.662 4.435 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU HG 1 35 SER HA . . 4.220 3.879 3.479 4.157 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU HG 1 35 SER QB . . 4.350 3.804 3.340 4.356 0.006 19 0 "[ . 1 . 2]" 1
215 1 13 SER H 1 13 SER HB2 . . 4.010 3.305 2.803 3.946 . 0 0 "[ . 1 . 2]" 1
216 1 13 SER H 1 13 SER QB . . 3.440 2.812 2.673 3.225 . 0 0 "[ . 1 . 2]" 1
217 1 13 SER H 1 13 SER HB3 . . 4.010 3.216 2.757 3.908 . 0 0 "[ . 1 . 2]" 1
218 1 13 SER H 1 32 CYS HA . . 4.870 4.773 4.605 4.888 0.018 8 0 "[ . 1 . 2]" 1
219 1 13 SER H 1 33 GLU H . . 3.580 3.012 2.889 3.099 . 0 0 "[ . 1 . 2]" 1
220 1 13 SER H 1 33 GLU HB2 . . 3.960 3.782 3.381 3.961 0.001 15 0 "[ . 1 . 2]" 1
221 1 13 SER H 1 33 GLU HB3 . . 3.680 2.366 1.979 2.798 . 0 0 "[ . 1 . 2]" 1
222 1 13 SER H 1 34 LEU HA . . 4.900 4.761 4.513 4.905 0.005 3 0 "[ . 1 . 2]" 1
223 1 13 SER HA 1 14 PRO HA . . 2.780 2.111 2.021 2.235 . 0 0 "[ . 1 . 2]" 1
224 1 13 SER HA 1 14 PRO HB2 . . 4.660 4.270 4.247 4.316 . 0 0 "[ . 1 . 2]" 1
225 1 13 SER HA 1 14 PRO HB3 . . 4.470 4.274 4.205 4.370 . 0 0 "[ . 1 . 2]" 1
226 1 13 SER HA 1 15 GLN H . . 4.740 3.474 2.851 3.693 . 0 0 "[ . 1 . 2]" 1
227 1 13 SER HA 1 15 GLN HG2 . . 4.390 4.199 3.212 4.385 . 0 0 "[ . 1 . 2]" 1
228 1 13 SER HA 1 15 GLN QG . . 3.520 3.199 2.938 3.343 . 0 0 "[ . 1 . 2]" 1
229 1 13 SER HA 1 15 GLN HG3 . . 4.390 3.366 3.021 4.391 0.001 12 0 "[ . 1 . 2]" 1
230 1 13 SER QB 1 14 PRO HA . . 3.480 3.102 2.445 3.463 . 0 0 "[ . 1 . 2]" 1
231 1 13 SER QB 1 33 GLU H . . 4.290 3.606 2.997 4.154 . 0 0 "[ . 1 . 2]" 1
232 1 13 SER QB 1 33 GLU HB2 . . 3.830 2.898 2.458 3.833 0.003 15 0 "[ . 1 . 2]" 1
233 1 13 SER QB 1 33 GLU HB3 . . 3.540 2.795 2.279 3.479 . 0 0 "[ . 1 . 2]" 1
234 1 13 SER HB2 1 14 PRO HA . . 4.220 3.644 2.497 4.199 . 0 0 "[ . 1 . 2]" 1
235 1 13 SER HB2 1 33 GLU HB2 . . 4.580 3.944 2.631 4.578 . 0 0 "[ . 1 . 2]" 1
236 1 13 SER HB2 1 33 GLU HB3 . . 4.230 3.609 2.598 4.235 0.005 19 0 "[ . 1 . 2]" 1
237 1 13 SER HB3 1 14 PRO HA . . 4.220 3.628 2.485 4.191 . 0 0 "[ . 1 . 2]" 1
238 1 13 SER HB3 1 33 GLU HB2 . . 4.580 3.298 2.478 4.291 . 0 0 "[ . 1 . 2]" 1
239 1 13 SER HB3 1 33 GLU HB3 . . 4.230 3.257 2.303 4.233 0.003 1 0 "[ . 1 . 2]" 1
240 1 14 PRO HA 1 15 GLN QG . . 4.850 3.658 3.374 4.140 . 0 0 "[ . 1 . 2]" 1
241 1 14 PRO HA 1 16 ASP H . . 4.540 4.399 4.056 4.541 0.001 9 0 "[ . 1 . 2]" 1
242 1 14 PRO HB2 1 16 ASP H . . 3.250 2.608 2.287 2.758 . 0 0 "[ . 1 . 2]" 1
243 1 14 PRO HB2 1 18 VAL QG . . 3.430 2.579 2.418 2.748 . 0 0 "[ . 1 . 2]" 1
244 1 14 PRO HB3 1 16 ASP H . . 4.370 4.224 4.018 4.369 . 0 0 "[ . 1 . 2]" 1
245 1 14 PRO HB3 1 18 VAL MG1 . . 4.280 2.374 1.882 2.625 . 0 0 "[ . 1 . 2]" 1
246 1 14 PRO HB3 1 18 VAL QG . . 3.340 2.357 1.877 2.596 . 0 0 "[ . 1 . 2]" 1
247 1 14 PRO HB3 1 18 VAL MG2 . . 4.280 4.066 3.607 4.300 0.020 8 0 "[ . 1 . 2]" 1
248 1 14 PRO HD2 1 18 VAL QG . . 4.830 4.352 4.085 4.549 . 0 0 "[ . 1 . 2]" 1
249 1 14 PRO HD2 1 32 CYS HA . . 3.820 3.286 2.844 3.548 . 0 0 "[ . 1 . 2]" 1
250 1 14 PRO HD2 1 32 CYS HB2 . . 4.710 3.887 3.415 4.311 . 0 0 "[ . 1 . 2]" 1
251 1 14 PRO HD2 1 32 CYS HB3 . . 5.280 5.146 4.793 5.283 0.003 2 0 "[ . 1 . 2]" 1
252 1 14 PRO HD2 1 32 CYS HG . . 4.170 2.571 2.012 3.390 . 0 0 "[ . 1 . 2]" 1
253 1 14 PRO HD2 1 33 GLU H . . 4.630 4.044 3.666 4.364 . 0 0 "[ . 1 . 2]" 1
254 1 14 PRO HD2 1 89 ALA MB . . 3.160 2.558 2.043 2.904 . 0 0 "[ . 1 . 2]" 1
255 1 14 PRO HD2 1 91 PHE QE . . 4.170 3.213 2.872 3.364 . 0 0 "[ . 1 . 2]" 1
256 1 14 PRO HD2 1 91 PHE HZ . . 4.050 2.270 2.089 2.538 . 0 0 "[ . 1 . 2]" 1
257 1 14 PRO HD3 1 18 VAL QG . . 4.610 3.777 3.133 4.032 . 0 0 "[ . 1 . 2]" 1
258 1 14 PRO HD3 1 32 CYS HA . . 3.590 2.998 2.876 3.201 . 0 0 "[ . 1 . 2]" 1
259 1 14 PRO HD3 1 32 CYS HB2 . . 4.930 4.061 3.522 4.405 . 0 0 "[ . 1 . 2]" 1
260 1 14 PRO HD3 1 32 CYS HG . . 4.580 3.762 3.102 4.583 0.003 16 0 "[ . 1 . 2]" 1
261 1 14 PRO HD3 1 33 GLU H . . 4.460 4.375 4.289 4.462 0.002 14 0 "[ . 1 . 2]" 1
262 1 14 PRO HD3 1 89 ALA MB . . 4.150 3.821 3.404 4.148 . 0 0 "[ . 1 . 2]" 1
263 1 14 PRO HD3 1 91 PHE QE . . 3.880 2.185 1.998 2.432 . 0 0 "[ . 1 . 2]" 1
264 1 14 PRO HD3 1 91 PHE HZ . . 3.840 2.299 2.000 2.838 . 0 0 "[ . 1 . 2]" 1
265 1 14 PRO QG 1 18 VAL QG . . 3.550 2.263 2.000 2.512 . 0 0 "[ . 1 . 2]" 1
266 1 14 PRO QG 1 89 ALA MB . . 3.170 2.824 2.458 3.108 . 0 0 "[ . 1 . 2]" 1
267 1 14 PRO QG 1 90 PHE H . . 4.220 3.403 2.464 4.160 . 0 0 "[ . 1 . 2]" 1
268 1 14 PRO QG 1 91 PHE QE . . 3.830 2.472 2.031 3.037 . 0 0 "[ . 1 . 2]" 1
269 1 14 PRO QG 1 91 PHE HZ . . 4.370 3.180 2.883 3.602 . 0 0 "[ . 1 . 2]" 1
270 1 14 PRO HG2 1 89 ALA MB . . 3.880 2.950 2.533 3.281 . 0 0 "[ . 1 . 2]" 1
271 1 14 PRO HG2 1 91 PHE QE . . 4.420 3.845 3.387 4.188 . 0 0 "[ . 1 . 2]" 1
272 1 14 PRO HG2 1 91 PHE HZ . . 5.210 3.899 3.502 4.289 . 0 0 "[ . 1 . 2]" 1
273 1 14 PRO HG3 1 89 ALA MB . . 3.880 3.620 3.234 3.875 . 0 0 "[ . 1 . 2]" 1
274 1 14 PRO HG3 1 91 PHE QE . . 4.420 2.505 2.047 3.118 . 0 0 "[ . 1 . 2]" 1
275 1 14 PRO HG3 1 91 PHE HZ . . 5.210 3.373 3.068 3.871 . 0 0 "[ . 1 . 2]" 1
276 1 15 GLN H 1 15 GLN HG2 . . 4.840 3.933 3.711 4.107 . 0 0 "[ . 1 . 2]" 1
277 1 15 GLN H 1 15 GLN QG . . 4.210 2.714 2.405 3.506 . 0 0 "[ . 1 . 2]" 1
278 1 15 GLN H 1 15 GLN HG3 . . 4.840 2.798 2.436 4.310 . 0 0 "[ . 1 . 2]" 1
279 1 15 GLN H 1 16 ASP H . . 3.900 2.169 1.821 2.545 . 0 0 "[ . 1 . 2]" 1
280 1 15 GLN HA 1 15 GLN HG2 . . 3.510 2.593 2.355 2.771 . 0 0 "[ . 1 . 2]" 1
281 1 15 GLN HA 1 15 GLN QG . . 3.060 2.423 2.325 2.545 . 0 0 "[ . 1 . 2]" 1
282 1 15 GLN HA 1 15 GLN HG3 . . 3.510 2.937 2.859 3.596 0.086 12 0 "[ . 1 . 2]" 1
283 1 15 GLN QB 1 16 ASP H . . 3.440 2.743 2.598 2.974 . 0 0 "[ . 1 . 2]" 1
284 1 15 GLN HB2 1 16 ASP H . . 3.970 2.826 2.666 3.077 . 0 0 "[ . 1 . 2]" 1
285 1 15 GLN HB3 1 16 ASP H . . 3.970 3.729 3.525 3.958 . 0 0 "[ . 1 . 2]" 1
286 1 15 GLN QG 1 16 ASP H . . 5.140 4.196 3.986 4.466 . 0 0 "[ . 1 . 2]" 1
287 1 16 ASP H 1 16 ASP HB2 . . 3.910 3.365 2.764 3.909 . 0 0 "[ . 1 . 2]" 1
288 1 16 ASP H 1 16 ASP QB . . 3.330 2.983 2.636 3.350 0.020 15 0 "[ . 1 . 2]" 1
289 1 16 ASP H 1 16 ASP HB3 . . 3.910 3.503 2.871 3.917 0.007 16 0 "[ . 1 . 2]" 1
290 1 16 ASP H 1 17 LYS H . . 4.510 4.212 2.515 4.437 . 0 0 "[ . 1 . 2]" 1
291 1 16 ASP H 1 18 VAL QG . . 4.210 3.729 3.540 4.207 . 0 0 "[ . 1 . 2]" 1
292 1 16 ASP QB 1 17 LYS H . . 3.100 2.365 1.886 3.107 0.007 3 0 "[ . 1 . 2]" 1
293 1 16 ASP QB 1 17 LYS QB . . 4.520 3.659 3.189 4.320 . 0 0 "[ . 1 . 2]" 1
294 1 16 ASP HB2 1 17 LYS H . . 3.690 2.882 1.897 3.731 0.041 5 0 "[ . 1 . 2]" 1
295 1 16 ASP HB3 1 17 LYS H . . 3.690 3.050 1.900 3.634 . 0 0 "[ . 1 . 2]" 1
296 1 17 LYS H 1 17 LYS QB . . 2.840 2.291 2.123 2.794 . 0 0 "[ . 1 . 2]" 1
297 1 17 LYS H 1 17 LYS QD . . 4.680 4.301 4.027 4.680 0.000 14 0 "[ . 1 . 2]" 1
298 1 17 LYS H 1 17 LYS QG . . 4.140 3.989 3.734 4.112 . 0 0 "[ . 1 . 2]" 1
299 1 17 LYS H 1 18 VAL H . . 4.770 4.537 4.249 4.631 . 0 0 "[ . 1 . 2]" 1
300 1 17 LYS HA 1 17 LYS QD . . 4.350 2.729 2.101 3.994 . 0 0 "[ . 1 . 2]" 1
301 1 17 LYS HA 1 17 LYS QG . . 3.390 2.720 2.285 3.022 . 0 0 "[ . 1 . 2]" 1
302 1 17 LYS HA 1 18 VAL H . . 2.620 2.177 2.156 2.249 . 0 0 "[ . 1 . 2]" 1
303 1 17 LYS HA 1 18 VAL QG . . 3.920 3.303 3.220 3.398 . 0 0 "[ . 1 . 2]" 1
304 1 17 LYS HA 1 90 PHE H . . 4.570 3.962 2.973 4.491 . 0 0 "[ . 1 . 2]" 1
305 1 17 LYS HA 1 90 PHE HB2 . . 3.920 2.743 2.234 3.472 . 0 0 "[ . 1 . 2]" 1
306 1 17 LYS HA 1 90 PHE HB3 . . 4.780 3.649 3.104 4.314 . 0 0 "[ . 1 . 2]" 1
307 1 17 LYS QB 1 17 LYS QD . . 3.260 2.174 2.016 2.303 . 0 0 "[ . 1 . 2]" 1
308 1 17 LYS QB 1 17 LYS HE2 . . 4.900 4.086 3.804 4.469 . 0 0 "[ . 1 . 2]" 1
309 1 17 LYS QB 1 17 LYS QE . . 4.250 3.675 3.448 3.761 . 0 0 "[ . 1 . 2]" 1
310 1 17 LYS QB 1 17 LYS HE3 . . 4.900 4.207 3.878 4.441 . 0 0 "[ . 1 . 2]" 1
311 1 17 LYS QB 1 18 VAL H . . 3.860 3.673 3.534 3.729 . 0 0 "[ . 1 . 2]" 1
312 1 17 LYS QB 1 90 PHE HB2 . . 4.110 3.345 2.592 3.934 . 0 0 "[ . 1 . 2]" 1
313 1 17 LYS QB 1 90 PHE HB3 . . 4.510 3.914 3.298 4.399 . 0 0 "[ . 1 . 2]" 1
314 1 17 LYS QD 1 18 VAL H . . 4.650 3.041 2.083 4.551 . 0 0 "[ . 1 . 2]" 1
315 1 17 LYS QD 1 90 PHE HB2 . . 4.250 3.009 2.213 4.256 0.006 8 0 "[ . 1 . 2]" 1
316 1 17 LYS QD 1 90 PHE HB3 . . 4.170 2.609 1.984 4.104 . 0 0 "[ . 1 . 2]" 1
317 1 17 LYS QD 1 90 PHE QD . . 5.180 3.837 3.003 5.185 0.005 13 0 "[ . 1 . 2]" 1
318 1 17 LYS QD 1 92 GLY H . . 5.210 4.194 2.786 5.212 0.002 19 0 "[ . 1 . 2]" 1
319 1 17 LYS QE 1 17 LYS QG . . 3.190 2.203 2.076 2.459 . 0 0 "[ . 1 . 2]" 1
320 1 17 LYS QE 1 79 GLU QG . . 4.330 3.010 2.039 4.038 . 0 0 "[ . 1 . 2]" 1
321 1 17 LYS QE 1 92 GLY HA3 . . 3.740 2.963 2.263 3.433 . 0 0 "[ . 1 . 2]" 1
322 1 17 LYS HE2 1 17 LYS QG . . 3.690 2.498 2.101 3.281 . 0 0 "[ . 1 . 2]" 1
323 1 17 LYS HE2 1 92 GLY H . . 4.570 3.714 2.756 4.548 . 0 0 "[ . 1 . 2]" 1
324 1 17 LYS HE2 1 92 GLY HA3 . . 4.270 3.234 2.337 4.095 . 0 0 "[ . 1 . 2]" 1
325 1 17 LYS HE3 1 17 LYS QG . . 3.690 2.839 2.227 3.301 . 0 0 "[ . 1 . 2]" 1
326 1 17 LYS HE3 1 92 GLY H . . 4.570 3.840 2.463 4.570 . 0 0 "[ . 1 . 2]" 1
327 1 17 LYS HE3 1 92 GLY HA3 . . 4.270 3.630 2.376 4.244 . 0 0 "[ . 1 . 2]" 1
328 1 17 LYS QG 1 18 VAL H . . 3.450 2.634 2.209 2.916 . 0 0 "[ . 1 . 2]" 1
329 1 17 LYS QG 1 19 SER HA . . 5.500 4.869 4.415 5.501 0.001 13 0 "[ . 1 . 2]" 1
330 1 17 LYS QG 1 90 PHE HB2 . . 4.690 3.956 2.188 4.697 0.007 16 0 "[ . 1 . 2]" 1
331 1 17 LYS QG 1 90 PHE HB3 . . 4.270 3.763 1.977 4.272 0.002 1 0 "[ . 1 . 2]" 1
332 1 17 LYS QG 1 91 PHE HA . . 5.110 4.644 3.935 5.102 . 0 0 "[ . 1 . 2]" 1
333 1 17 LYS QG 1 92 GLY H . . 4.650 4.141 3.575 4.528 . 0 0 "[ . 1 . 2]" 1
334 1 18 VAL H 1 18 VAL HB . . 3.740 3.750 3.704 3.780 0.040 5 0 "[ . 1 . 2]" 1
335 1 18 VAL H 1 18 VAL MG1 . . 3.430 2.738 2.542 3.092 . 0 0 "[ . 1 . 2]" 1
336 1 18 VAL H 1 18 VAL QG . . 2.980 2.085 1.861 2.176 . 0 0 "[ . 1 . 2]" 1
337 1 18 VAL H 1 18 VAL MG2 . . 3.430 2.176 1.876 2.324 . 0 0 "[ . 1 . 2]" 1
338 1 18 VAL H 1 91 PHE HA . . 3.520 3.052 2.593 3.509 . 0 0 "[ . 1 . 2]" 1
339 1 18 VAL H 1 92 GLY H . . 4.200 3.458 3.214 3.715 . 0 0 "[ . 1 . 2]" 1
340 1 18 VAL HA 1 18 VAL MG1 . . 3.470 2.340 2.199 2.449 . 0 0 "[ . 1 . 2]" 1
341 1 18 VAL HA 1 18 VAL QG . . 3.040 2.284 2.161 2.374 . 0 0 "[ . 1 . 2]" 1
342 1 18 VAL HA 1 18 VAL MG2 . . 3.470 3.194 3.181 3.202 . 0 0 "[ . 1 . 2]" 1
343 1 18 VAL HA 1 19 SER H . . 2.720 2.497 2.306 2.643 . 0 0 "[ . 1 . 2]" 1
344 1 18 VAL HB 1 19 SER H . . 3.650 2.210 1.928 2.641 . 0 0 "[ . 1 . 2]" 1
345 1 18 VAL HB 1 20 LEU MD1 . . 4.660 4.019 3.672 4.422 . 0 0 "[ . 1 . 2]" 1
346 1 18 VAL HB 1 20 LEU MD2 . . 4.140 3.688 3.340 3.908 . 0 0 "[ . 1 . 2]" 1
347 1 18 VAL HB 1 91 PHE HA . . 4.640 4.514 4.388 4.640 0.000 19 0 "[ . 1 . 2]" 1
348 1 18 VAL HB 1 91 PHE QD . . 4.310 4.267 4.071 4.329 0.019 15 0 "[ . 1 . 2]" 1
349 1 18 VAL HB 1 92 GLY H . . 4.930 4.506 4.232 4.798 . 0 0 "[ . 1 . 2]" 1
350 1 18 VAL QG 1 19 SER H . . 3.380 3.005 2.837 3.228 . 0 0 "[ . 1 . 2]" 1
351 1 18 VAL QG 1 19 SER HA . . 4.260 3.526 3.371 3.671 . 0 0 "[ . 1 . 2]" 1
352 1 18 VAL QG 1 20 LEU H . . 4.630 4.309 3.938 4.542 . 0 0 "[ . 1 . 2]" 1
353 1 18 VAL QG 1 91 PHE QB . . 4.840 2.756 2.375 2.995 . 0 0 "[ . 1 . 2]" 1
354 1 18 VAL QG 1 91 PHE QD . . 3.190 1.933 1.818 2.087 . 0 0 "[ . 1 . 2]" 1
355 1 18 VAL QG 1 91 PHE QE . . 3.620 3.051 2.900 3.163 . 0 0 "[ . 1 . 2]" 1
356 1 18 VAL MG1 1 19 SER H . . 4.110 3.633 3.450 3.849 . 0 0 "[ . 1 . 2]" 1
357 1 18 VAL MG1 1 91 PHE HA . . 4.090 3.982 3.839 4.092 0.002 5 0 "[ . 1 . 2]" 1
358 1 18 VAL MG1 1 91 PHE QD . . 3.790 3.477 3.052 3.777 . 0 0 "[ . 1 . 2]" 1
359 1 18 VAL MG1 1 91 PHE QE . . 4.830 3.570 3.286 3.896 . 0 0 "[ . 1 . 2]" 1
360 1 18 VAL MG1 1 92 GLY H . . 4.820 4.769 4.685 4.825 0.005 8 0 "[ . 1 . 2]" 1
361 1 18 VAL MG2 1 19 SER H . . 4.110 3.211 2.975 3.477 . 0 0 "[ . 1 . 2]" 1
362 1 18 VAL MG2 1 91 PHE HA . . 4.090 1.850 1.791 1.959 . 0 0 "[ . 1 . 2]" 1
363 1 18 VAL MG2 1 91 PHE QD . . 3.790 1.943 1.832 2.100 . 0 0 "[ . 1 . 2]" 1
364 1 18 VAL MG2 1 91 PHE QE . . 4.830 3.324 3.217 3.470 . 0 0 "[ . 1 . 2]" 1
365 1 18 VAL MG2 1 92 GLY H . . 4.820 2.133 1.934 2.351 . 0 0 "[ . 1 . 2]" 1
366 1 19 SER H 1 19 SER HB2 . . 3.920 3.394 2.783 3.928 0.008 5 0 "[ . 1 . 2]" 1
367 1 19 SER H 1 19 SER QB . . 3.200 2.813 2.544 3.197 . 0 0 "[ . 1 . 2]" 1
368 1 19 SER H 1 19 SER HB3 . . 3.920 3.074 2.650 3.853 . 0 0 "[ . 1 . 2]" 1
369 1 19 SER H 1 20 LEU H . . 4.460 4.225 4.005 4.422 . 0 0 "[ . 1 . 2]" 1
370 1 19 SER H 1 92 GLY H . . 5.360 4.551 4.261 4.823 . 0 0 "[ . 1 . 2]" 1
371 1 19 SER HA 1 20 LEU H . . 2.730 2.159 2.138 2.198 . 0 0 "[ . 1 . 2]" 1
372 1 19 SER HA 1 20 LEU HB2 . . 5.000 4.725 4.631 4.830 . 0 0 "[ . 1 . 2]" 1
373 1 19 SER HA 1 20 LEU MD1 . . 4.890 4.580 4.431 4.750 . 0 0 "[ . 1 . 2]" 1
374 1 19 SER HA 1 20 LEU MD2 . . 4.830 4.687 4.408 4.830 . 0 0 "[ . 1 . 2]" 1
375 1 19 SER HA 1 20 LEU HG . . 4.430 3.557 3.362 3.722 . 0 0 "[ . 1 . 2]" 1
376 1 19 SER HA 1 92 GLY H . . 3.410 3.209 2.748 3.413 0.003 2 0 "[ . 1 . 2]" 1
377 1 19 SER HA 1 92 GLY HA3 . . 3.720 2.912 2.275 3.279 . 0 0 "[ . 1 . 2]" 1
378 1 19 SER QB 1 20 LEU H . . 3.690 3.506 3.036 3.693 0.003 15 0 "[ . 1 . 2]" 1
379 1 19 SER QB 1 92 GLY H . . 5.220 4.843 4.540 5.225 0.005 9 0 "[ . 1 . 2]" 1
380 1 19 SER HB2 1 20 LEU H . . 4.410 3.943 3.116 4.401 . 0 0 "[ . 1 . 2]" 1
381 1 19 SER HB3 1 20 LEU H . . 4.410 4.097 3.419 4.387 . 0 0 "[ . 1 . 2]" 1
382 1 20 LEU H 1 20 LEU HB2 . . 3.270 2.894 2.777 2.993 . 0 0 "[ . 1 . 2]" 1
383 1 20 LEU H 1 20 LEU HB3 . . 4.030 3.892 3.819 3.936 . 0 0 "[ . 1 . 2]" 1
384 1 20 LEU H 1 20 LEU MD1 . . 3.970 3.795 3.672 3.940 . 0 0 "[ . 1 . 2]" 1
385 1 20 LEU H 1 20 LEU MD2 . . 4.160 4.035 3.812 4.146 . 0 0 "[ . 1 . 2]" 1
386 1 20 LEU H 1 20 LEU HG . . 3.450 2.888 2.675 3.048 . 0 0 "[ . 1 . 2]" 1
387 1 20 LEU H 1 21 THR H . . 4.650 4.409 4.330 4.455 . 0 0 "[ . 1 . 2]" 1
388 1 20 LEU H 1 92 GLY H . . 4.300 4.141 3.794 4.306 0.006 7 0 "[ . 1 . 2]" 1
389 1 20 LEU H 1 92 GLY HA3 . . 4.430 3.654 2.929 4.204 . 0 0 "[ . 1 . 2]" 1
390 1 20 LEU H 1 93 VAL MG2 . . 4.410 4.290 3.837 4.410 . 0 0 "[ . 1 . 2]" 1
391 1 20 LEU H 1 94 THR H . . 5.060 4.520 4.145 4.747 . 0 0 "[ . 1 . 2]" 1
392 1 20 LEU HA 1 20 LEU HG . . 4.170 3.045 2.985 3.169 . 0 0 "[ . 1 . 2]" 1
393 1 20 LEU HB2 1 20 LEU MD1 . . 3.190 2.137 1.981 2.240 . 0 0 "[ . 1 . 2]" 1
394 1 20 LEU HB2 1 21 THR H . . 3.850 3.572 3.256 3.823 . 0 0 "[ . 1 . 2]" 1
395 1 20 LEU HB2 1 22 PHE QE . . 3.870 2.395 2.055 2.788 . 0 0 "[ . 1 . 2]" 1
396 1 20 LEU HB2 1 22 PHE HZ . . 4.440 4.065 3.648 4.415 . 0 0 "[ . 1 . 2]" 1
397 1 20 LEU HB2 1 93 VAL MG1 . . 4.800 3.750 3.386 4.292 . 0 0 "[ . 1 . 2]" 1
398 1 20 LEU HB2 1 93 VAL MG2 . . 3.850 2.958 2.684 3.476 . 0 0 "[ . 1 . 2]" 1
399 1 20 LEU HB2 1 94 THR H . . 4.450 4.109 3.824 4.349 . 0 0 "[ . 1 . 2]" 1
400 1 20 LEU HB3 1 20 LEU MD1 . . 3.270 2.596 2.530 2.670 . 0 0 "[ . 1 . 2]" 1
401 1 20 LEU HB3 1 20 LEU MD2 . . 2.980 2.107 2.028 2.210 . 0 0 "[ . 1 . 2]" 1
402 1 20 LEU HB3 1 21 THR H . . 3.410 2.655 2.344 2.909 . 0 0 "[ . 1 . 2]" 1
403 1 20 LEU HB3 1 21 THR HA . . 5.220 4.591 4.468 4.679 . 0 0 "[ . 1 . 2]" 1
404 1 20 LEU HB3 1 22 PHE QE . . 3.870 2.530 2.063 3.127 . 0 0 "[ . 1 . 2]" 1
405 1 20 LEU HB3 1 22 PHE HZ . . 4.380 3.166 2.733 3.447 . 0 0 "[ . 1 . 2]" 1
406 1 20 LEU MD1 1 21 THR H . . 5.340 4.787 4.570 5.008 . 0 0 "[ . 1 . 2]" 1
407 1 20 LEU MD1 1 22 PHE QE . . 4.190 2.764 2.430 3.155 . 0 0 "[ . 1 . 2]" 1
408 1 20 LEU MD1 1 22 PHE HZ . . 3.370 3.167 2.678 3.379 0.009 8 0 "[ . 1 . 2]" 1
409 1 20 LEU MD1 1 28 VAL MG1 . . 4.400 3.787 3.438 4.180 . 0 0 "[ . 1 . 2]" 1
410 1 20 LEU MD1 1 30 LEU HA . . 4.340 3.639 3.206 4.002 . 0 0 "[ . 1 . 2]" 1
411 1 20 LEU MD1 1 30 LEU MD1 . . 4.890 3.995 3.488 4.245 . 0 0 "[ . 1 . 2]" 1
412 1 20 LEU MD1 1 30 LEU MD2 . . 2.910 2.146 1.794 2.336 . 0 0 "[ . 1 . 2]" 1
413 1 20 LEU MD1 1 31 THR H . . 5.500 4.677 4.365 5.034 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU MD1 1 91 PHE HA . . 5.360 4.129 3.545 4.490 . 0 0 "[ . 1 . 2]" 1
415 1 20 LEU MD1 1 91 PHE HB2 . . 4.570 4.293 3.778 4.535 . 0 0 "[ . 1 . 2]" 1
416 1 20 LEU MD1 1 91 PHE QB . . 3.850 2.842 2.386 3.020 . 0 0 "[ . 1 . 2]" 1
417 1 20 LEU MD1 1 91 PHE HB3 . . 4.570 2.884 2.412 3.066 . 0 0 "[ . 1 . 2]" 1
418 1 20 LEU MD1 1 91 PHE QD . . 3.600 3.071 2.669 3.388 . 0 0 "[ . 1 . 2]" 1
419 1 20 LEU MD1 1 92 GLY H . . 5.430 4.029 3.286 4.722 . 0 0 "[ . 1 . 2]" 1
420 1 20 LEU MD2 1 21 THR H . . 3.950 3.765 3.481 3.943 . 0 0 "[ . 1 . 2]" 1
421 1 20 LEU MD2 1 22 PHE QE . . 4.260 3.821 3.580 4.116 . 0 0 "[ . 1 . 2]" 1
422 1 20 LEU MD2 1 22 PHE HZ . . 3.980 3.498 3.187 3.860 . 0 0 "[ . 1 . 2]" 1
423 1 20 LEU MD2 1 30 LEU MD2 . . 4.350 4.009 3.471 4.319 . 0 0 "[ . 1 . 2]" 1
424 1 20 LEU HG 1 21 THR H . . 5.130 4.916 4.785 4.969 . 0 0 "[ . 1 . 2]" 1
425 1 21 THR H 1 21 THR HB . . 3.090 2.872 2.745 3.016 . 0 0 "[ . 1 . 2]" 1
426 1 21 THR H 1 21 THR MG . . 4.030 3.951 3.900 4.000 . 0 0 "[ . 1 . 2]" 1
427 1 21 THR H 1 22 PHE H . . 4.530 4.359 4.276 4.467 . 0 0 "[ . 1 . 2]" 1
428 1 21 THR HA 1 21 THR MG . . 2.980 2.262 2.125 2.383 . 0 0 "[ . 1 . 2]" 1
429 1 21 THR HA 1 22 PHE H . . 2.760 2.224 2.164 2.318 . 0 0 "[ . 1 . 2]" 1
430 1 21 THR HA 1 22 PHE HB2 . . 4.920 4.520 4.447 4.596 . 0 0 "[ . 1 . 2]" 1
431 1 21 THR HA 1 22 PHE QD . . 4.420 3.341 2.964 3.745 . 0 0 "[ . 1 . 2]" 1
432 1 21 THR HA 1 93 VAL MG1 . . 4.580 3.965 3.671 4.362 . 0 0 "[ . 1 . 2]" 1
433 1 21 THR HA 1 94 THR H . . 3.480 2.564 2.343 2.926 . 0 0 "[ . 1 . 2]" 1
434 1 21 THR HA 1 94 THR HB . . 3.370 2.664 2.251 2.955 . 0 0 "[ . 1 . 2]" 1
435 1 21 THR HA 1 94 THR MG . . 4.120 3.904 3.642 4.084 . 0 0 "[ . 1 . 2]" 1
436 1 21 THR HB 1 22 PHE H . . 4.130 3.878 3.640 4.035 . 0 0 "[ . 1 . 2]" 1
437 1 21 THR HB 1 94 THR HB . . 5.110 4.705 4.488 5.038 . 0 0 "[ . 1 . 2]" 1
438 1 21 THR HB 1 94 THR MG . . 5.400 5.167 4.748 5.402 0.002 11 0 "[ . 1 . 2]" 1
439 1 21 THR MG 1 22 PHE H . . 3.250 2.147 1.888 2.472 . 0 0 "[ . 1 . 2]" 1
440 1 21 THR MG 1 22 PHE HA . . 4.260 3.606 3.350 3.887 . 0 0 "[ . 1 . 2]" 1
441 1 21 THR MG 1 22 PHE QD . . 4.840 4.441 4.097 4.730 . 0 0 "[ . 1 . 2]" 1
442 1 21 THR MG 1 94 THR H . . 4.310 3.983 3.758 4.234 . 0 0 "[ . 1 . 2]" 1
443 1 21 THR MG 1 94 THR HB . . 3.360 2.625 2.348 3.137 . 0 0 "[ . 1 . 2]" 1
444 1 21 THR MG 1 95 VAL H . . 5.500 4.947 4.685 5.178 . 0 0 "[ . 1 . 2]" 1
445 1 21 THR MG 1 95 VAL HA . . 4.430 3.949 3.613 4.384 . 0 0 "[ . 1 . 2]" 1
446 1 21 THR MG 1 96 GLN H . . 4.090 3.462 3.193 3.717 . 0 0 "[ . 1 . 2]" 1
447 1 21 THR MG 1 96 GLN QB . . 4.030 3.403 3.140 3.786 . 0 0 "[ . 1 . 2]" 1
448 1 21 THR MG 1 96 GLN HE21 . . 4.060 2.793 1.774 3.818 . 0 0 "[ . 1 . 2]" 1
449 1 21 THR MG 1 96 GLN HE22 . . 4.060 3.055 2.283 4.061 0.001 19 0 "[ . 1 . 2]" 1
450 1 21 THR MG 1 96 GLN QG . . 3.540 3.010 2.523 3.383 . 0 0 "[ . 1 . 2]" 1
451 1 22 PHE H 1 22 PHE HB2 . . 3.430 2.852 2.732 2.992 . 0 0 "[ . 1 . 2]" 1
452 1 22 PHE H 1 22 PHE HB3 . . 3.970 3.898 3.831 3.973 0.003 5 0 "[ . 1 . 2]" 1
453 1 22 PHE H 1 22 PHE QD . . 3.620 3.026 2.690 3.333 . 0 0 "[ . 1 . 2]" 1
454 1 22 PHE H 1 93 VAL MG1 . . 4.740 4.096 3.727 4.361 . 0 0 "[ . 1 . 2]" 1
455 1 22 PHE H 1 94 THR H . . 4.110 3.547 3.153 3.824 . 0 0 "[ . 1 . 2]" 1
456 1 22 PHE H 1 94 THR HB . . 4.420 3.835 3.301 4.198 . 0 0 "[ . 1 . 2]" 1
457 1 22 PHE H 1 94 THR MG . . 4.450 4.052 3.593 4.283 . 0 0 "[ . 1 . 2]" 1
458 1 22 PHE H 1 95 VAL HA . . 3.450 2.992 2.741 3.250 . 0 0 "[ . 1 . 2]" 1
459 1 22 PHE H 1 95 VAL MG2 . . 4.210 4.008 3.714 4.205 . 0 0 "[ . 1 . 2]" 1
460 1 22 PHE H 1 96 GLN H . . 4.010 3.559 3.294 3.864 . 0 0 "[ . 1 . 2]" 1
461 1 22 PHE HA 1 22 PHE QD . . 3.490 2.963 2.719 3.133 . 0 0 "[ . 1 . 2]" 1
462 1 22 PHE HA 1 23 THR H . . 2.860 2.496 2.410 2.581 . 0 0 "[ . 1 . 2]" 1
463 1 22 PHE HA 1 23 THR HB . . 5.000 4.805 4.745 4.885 . 0 0 "[ . 1 . 2]" 1
464 1 22 PHE HB2 1 23 THR H . . 3.610 3.395 3.192 3.553 . 0 0 "[ . 1 . 2]" 1
465 1 22 PHE HB2 1 28 VAL MG2 . . 4.050 2.693 2.326 2.995 . 0 0 "[ . 1 . 2]" 1
466 1 22 PHE HB2 1 72 ALA MB . . 4.920 3.474 3.249 3.680 . 0 0 "[ . 1 . 2]" 1
467 1 22 PHE HB2 1 93 VAL MG1 . . 4.410 3.672 3.437 3.840 . 0 0 "[ . 1 . 2]" 1
468 1 22 PHE HB2 1 95 VAL HA . . 4.230 3.240 3.060 3.505 . 0 0 "[ . 1 . 2]" 1
469 1 22 PHE HB2 1 95 VAL MG1 . . 3.890 3.550 3.205 3.739 . 0 0 "[ . 1 . 2]" 1
470 1 22 PHE HB2 1 95 VAL MG2 . . 3.400 2.908 2.460 3.135 . 0 0 "[ . 1 . 2]" 1
471 1 22 PHE HB3 1 23 THR H . . 3.020 2.255 2.119 2.431 . 0 0 "[ . 1 . 2]" 1
472 1 22 PHE HB3 1 23 THR HA . . 4.690 4.611 4.564 4.679 . 0 0 "[ . 1 . 2]" 1
473 1 22 PHE HB3 1 26 GLU H . . 5.500 5.397 5.212 5.511 0.011 12 0 "[ . 1 . 2]" 1
474 1 22 PHE HB3 1 26 GLU HB2 . . 4.370 3.079 2.900 3.327 . 0 0 "[ . 1 . 2]" 1
475 1 22 PHE HB3 1 26 GLU QB . . 3.810 2.928 2.738 3.153 . 0 0 "[ . 1 . 2]" 1
476 1 22 PHE HB3 1 26 GLU HB3 . . 4.370 3.670 3.360 3.910 . 0 0 "[ . 1 . 2]" 1
477 1 22 PHE HB3 1 28 VAL MG2 . . 4.040 2.827 2.470 3.278 . 0 0 "[ . 1 . 2]" 1
478 1 22 PHE HB3 1 72 ALA MB . . 5.170 3.662 3.436 3.877 . 0 0 "[ . 1 . 2]" 1
479 1 22 PHE HB3 1 95 VAL HA . . 4.750 4.510 4.360 4.673 . 0 0 "[ . 1 . 2]" 1
480 1 22 PHE HB3 1 95 VAL MG1 . . 4.400 4.170 3.801 4.397 . 0 0 "[ . 1 . 2]" 1
481 1 22 PHE HB3 1 95 VAL MG2 . . 4.420 4.210 3.560 4.406 . 0 0 "[ . 1 . 2]" 1
482 1 22 PHE QD 1 23 THR H . . 3.900 3.757 3.651 3.873 . 0 0 "[ . 1 . 2]" 1
483 1 22 PHE QD 1 26 GLU HB2 . . 4.890 4.359 4.193 4.540 . 0 0 "[ . 1 . 2]" 1
484 1 22 PHE QD 1 26 GLU QB . . 4.050 3.684 3.518 3.872 . 0 0 "[ . 1 . 2]" 1
485 1 22 PHE QD 1 26 GLU HB3 . . 4.890 3.976 3.743 4.237 . 0 0 "[ . 1 . 2]" 1
486 1 22 PHE QD 1 28 VAL MG1 . . 4.240 3.218 2.782 3.621 . 0 0 "[ . 1 . 2]" 1
487 1 22 PHE QD 1 28 VAL MG2 . . 3.810 2.648 2.376 2.869 . 0 0 "[ . 1 . 2]" 1
488 1 22 PHE QD 1 93 VAL MG1 . . 3.110 2.332 2.014 2.525 . 0 0 "[ . 1 . 2]" 1
489 1 22 PHE QD 1 93 VAL MG2 . . 4.130 3.939 3.554 4.140 0.010 8 0 "[ . 1 . 2]" 1
490 1 22 PHE QD 1 94 THR H . . 4.650 3.186 2.886 3.526 . 0 0 "[ . 1 . 2]" 1
491 1 22 PHE QD 1 95 VAL MG1 . . 5.240 5.003 4.756 5.204 . 0 0 "[ . 1 . 2]" 1
492 1 22 PHE QD 1 95 VAL MG2 . . 3.970 3.676 3.399 3.973 0.003 12 0 "[ . 1 . 2]" 1
493 1 22 PHE QE 1 28 VAL HA . . 4.360 3.584 3.066 4.020 . 0 0 "[ . 1 . 2]" 1
494 1 22 PHE QE 1 28 VAL MG1 . . 3.680 2.778 2.505 3.021 . 0 0 "[ . 1 . 2]" 1
495 1 22 PHE QE 1 28 VAL MG2 . . 4.260 3.345 3.075 3.509 . 0 0 "[ . 1 . 2]" 1
496 1 22 PHE QE 1 29 VAL H . . 4.680 4.089 3.572 4.619 . 0 0 "[ . 1 . 2]" 1
497 1 22 PHE QE 1 93 VAL MG1 . . 3.700 2.953 2.592 3.256 . 0 0 "[ . 1 . 2]" 1
498 1 22 PHE QE 1 93 VAL MG2 . . 4.330 3.076 2.404 3.502 . 0 0 "[ . 1 . 2]" 1
499 1 22 PHE HZ 1 28 VAL HA . . 4.620 4.176 3.942 4.469 . 0 0 "[ . 1 . 2]" 1
500 1 22 PHE HZ 1 28 VAL MG1 . . 3.820 3.278 2.949 3.577 . 0 0 "[ . 1 . 2]" 1
501 1 22 PHE HZ 1 29 VAL H . . 4.570 4.053 3.868 4.425 . 0 0 "[ . 1 . 2]" 1
502 1 22 PHE HZ 1 30 LEU MD2 . . 4.910 4.171 3.511 4.818 . 0 0 "[ . 1 . 2]" 1
503 1 23 THR H 1 23 THR HB . . 3.120 2.620 2.560 2.687 . 0 0 "[ . 1 . 2]" 1
504 1 23 THR H 1 23 THR MG . . 3.970 3.847 3.821 3.874 . 0 0 "[ . 1 . 2]" 1
505 1 23 THR H 1 24 THR H . . 4.760 4.512 4.471 4.547 . 0 0 "[ . 1 . 2]" 1
506 1 23 THR H 1 26 GLU HB2 . . 4.520 3.165 3.001 3.327 . 0 0 "[ . 1 . 2]" 1
507 1 23 THR H 1 26 GLU HB3 . . 4.520 3.842 3.668 4.042 . 0 0 "[ . 1 . 2]" 1
508 1 23 THR H 1 26 GLU QG . . 3.610 2.533 2.063 3.479 . 0 0 "[ . 1 . 2]" 1
509 1 23 THR H 1 28 VAL MG2 . . 4.950 4.594 4.265 4.938 . 0 0 "[ . 1 . 2]" 1
510 1 23 THR H 1 95 VAL MG1 . . 4.580 4.146 3.943 4.379 . 0 0 "[ . 1 . 2]" 1
511 1 23 THR HA 1 23 THR MG . . 3.070 2.329 2.216 2.416 . 0 0 "[ . 1 . 2]" 1
512 1 23 THR HA 1 24 THR H . . 2.640 2.257 2.204 2.361 . 0 0 "[ . 1 . 2]" 1
513 1 23 THR HA 1 24 THR HA . . 4.650 4.308 4.301 4.317 . 0 0 "[ . 1 . 2]" 1
514 1 23 THR HA 1 24 THR HB . . 5.120 4.831 4.758 4.940 . 0 0 "[ . 1 . 2]" 1
515 1 23 THR HA 1 26 GLU QG . . 5.340 4.045 3.858 4.517 . 0 0 "[ . 1 . 2]" 1
516 1 23 THR HA 1 95 VAL HA . . 3.950 3.795 3.590 3.954 0.004 19 0 "[ . 1 . 2]" 1
517 1 23 THR HA 1 95 VAL MG1 . . 3.940 3.195 2.844 3.503 . 0 0 "[ . 1 . 2]" 1
518 1 23 THR HA 1 96 GLN H . . 3.240 2.847 2.562 3.137 . 0 0 "[ . 1 . 2]" 1
519 1 23 THR HA 1 96 GLN QB . . 4.200 3.615 3.356 4.180 . 0 0 "[ . 1 . 2]" 1
520 1 23 THR HA 1 96 GLN QG . . 5.190 4.980 2.486 5.210 0.020 8 0 "[ . 1 . 2]" 1
521 1 23 THR HA 1 98 PRO HD2 . . 5.500 5.505 5.494 5.522 0.022 4 0 "[ . 1 . 2]" 1
522 1 23 THR HA 1 98 PRO HD3 . . 5.150 3.949 3.872 4.014 . 0 0 "[ . 1 . 2]" 1
523 1 23 THR HB 1 24 THR H . . 3.960 3.840 3.568 3.960 . 0 0 "[ . 1 . 2]" 1
524 1 23 THR HB 1 26 GLU HG2 . . 4.280 3.155 2.821 3.851 . 0 0 "[ . 1 . 2]" 1
525 1 23 THR HB 1 26 GLU QG . . 3.500 2.089 1.967 2.546 . 0 0 "[ . 1 . 2]" 1
526 1 23 THR HB 1 26 GLU HG3 . . 4.280 2.123 1.994 2.583 . 0 0 "[ . 1 . 2]" 1
527 1 23 THR HB 1 98 PRO QG . . 4.950 4.819 4.635 4.964 0.014 8 0 "[ . 1 . 2]" 1
528 1 23 THR MG 1 24 THR H . . 3.070 2.136 1.908 2.315 . 0 0 "[ . 1 . 2]" 1
529 1 23 THR MG 1 26 GLU H . . 5.500 5.430 5.307 5.507 0.007 4 0 "[ . 1 . 2]" 1
530 1 23 THR MG 1 26 GLU QG . . 3.990 3.141 2.965 3.358 . 0 0 "[ . 1 . 2]" 1
531 1 23 THR MG 1 95 VAL MG1 . . 4.640 4.064 3.867 4.210 . 0 0 "[ . 1 . 2]" 1
532 1 23 THR MG 1 96 GLN H . . 4.700 4.446 4.186 4.714 0.014 4 0 "[ . 1 . 2]" 1
533 1 23 THR MG 1 97 ASP HA . . 4.000 3.180 2.980 3.557 . 0 0 "[ . 1 . 2]" 1
534 1 23 THR MG 1 98 PRO HA . . 3.580 3.193 2.982 3.465 . 0 0 "[ . 1 . 2]" 1
535 1 23 THR MG 1 98 PRO QB . . 3.250 2.197 1.938 2.444 . 0 0 "[ . 1 . 2]" 1
536 1 23 THR MG 1 98 PRO HD2 . . 3.800 3.281 3.223 3.529 . 0 0 "[ . 1 . 2]" 1
537 1 23 THR MG 1 98 PRO HD3 . . 3.310 1.838 1.792 1.953 . 0 0 "[ . 1 . 2]" 1
538 1 23 THR MG 1 98 PRO QG . . 3.170 2.537 2.412 2.627 . 0 0 "[ . 1 . 2]" 1
539 1 24 THR H 1 24 THR HB . . 2.920 2.614 2.504 2.663 . 0 0 "[ . 1 . 2]" 1
540 1 24 THR H 1 24 THR MG . . 3.810 3.768 3.761 3.776 . 0 0 "[ . 1 . 2]" 1
541 1 24 THR H 1 25 SER H . . 4.730 4.624 4.587 4.648 . 0 0 "[ . 1 . 2]" 1
542 1 24 THR H 1 95 VAL MG1 . . 3.260 2.791 2.495 3.140 . 0 0 "[ . 1 . 2]" 1
543 1 24 THR H 1 96 GLN H . . 4.190 4.010 3.382 4.194 0.004 18 0 "[ . 1 . 2]" 1
544 1 24 THR H 1 97 ASP HA . . 3.410 2.666 2.432 2.925 . 0 0 "[ . 1 . 2]" 1
545 1 24 THR H 1 98 PRO HD2 . . 4.070 3.694 3.483 3.845 . 0 0 "[ . 1 . 2]" 1
546 1 24 THR H 1 98 PRO HD3 . . 3.690 2.489 2.189 2.784 . 0 0 "[ . 1 . 2]" 1
547 1 24 THR H 1 98 PRO QG . . 4.680 4.288 3.963 4.579 . 0 0 "[ . 1 . 2]" 1
548 1 24 THR HA 1 24 THR MG . . 3.070 2.368 2.254 2.473 . 0 0 "[ . 1 . 2]" 1
549 1 24 THR HA 1 25 SER H . . 2.730 2.236 2.177 2.328 . 0 0 "[ . 1 . 2]" 1
550 1 24 THR HA 1 25 SER HA . . 4.540 4.426 4.401 4.453 . 0 0 "[ . 1 . 2]" 1
551 1 24 THR HA 1 26 GLU H . . 3.850 3.788 3.586 3.857 0.007 7 0 "[ . 1 . 2]" 1
552 1 24 THR HA 1 72 ALA MB . . 3.870 3.348 2.912 3.841 . 0 0 "[ . 1 . 2]" 1
553 1 24 THR HA 1 95 VAL MG1 . . 3.040 2.130 1.926 2.337 . 0 0 "[ . 1 . 2]" 1
554 1 24 THR HA 1 95 VAL MG2 . . 4.800 4.213 3.787 4.405 . 0 0 "[ . 1 . 2]" 1
555 1 24 THR HB 1 25 SER H . . 4.250 3.937 3.731 4.117 . 0 0 "[ . 1 . 2]" 1
556 1 24 THR HB 1 74 VAL MG2 . . 4.720 4.351 3.994 4.664 . 0 0 "[ . 1 . 2]" 1
557 1 24 THR HB 1 95 VAL MG1 . . 4.200 3.989 3.809 4.201 0.001 19 0 "[ . 1 . 2]" 1
558 1 24 THR HB 1 97 ASP HA . . 3.610 2.550 2.294 2.823 . 0 0 "[ . 1 . 2]" 1
559 1 24 THR HB 1 98 PRO HD2 . . 3.730 2.291 2.077 2.519 . 0 0 "[ . 1 . 2]" 1
560 1 24 THR HB 1 98 PRO HD3 . . 3.880 2.405 2.016 2.696 . 0 0 "[ . 1 . 2]" 1
561 1 24 THR HB 1 98 PRO QG . . 4.280 3.429 2.936 3.746 . 0 0 "[ . 1 . 2]" 1
562 1 24 THR MG 1 25 SER H . . 3.280 2.048 1.852 2.267 . 0 0 "[ . 1 . 2]" 1
563 1 24 THR MG 1 25 SER HA . . 4.430 3.462 3.363 3.552 . 0 0 "[ . 1 . 2]" 1
564 1 24 THR MG 1 25 SER QB . . 4.550 2.834 2.271 3.466 . 0 0 "[ . 1 . 2]" 1
565 1 24 THR MG 1 74 VAL H . . 3.500 3.232 2.733 3.500 0.000 18 0 "[ . 1 . 2]" 1
566 1 24 THR MG 1 95 VAL MG1 . . 3.490 3.271 3.098 3.492 0.002 6 0 "[ . 1 . 2]" 1
567 1 24 THR MG 1 97 ASP HA . . 3.840 3.756 3.608 3.847 0.007 3 0 "[ . 1 . 2]" 1
568 1 24 THR MG 1 97 ASP HB2 . . 4.930 4.175 3.820 4.367 . 0 0 "[ . 1 . 2]" 1
569 1 24 THR MG 1 97 ASP HB3 . . 4.120 3.915 3.484 4.112 . 0 0 "[ . 1 . 2]" 1
570 1 24 THR MG 1 98 PRO HD2 . . 4.760 3.590 3.320 3.800 . 0 0 "[ . 1 . 2]" 1
571 1 24 THR MG 1 98 PRO HD3 . . 4.360 4.063 3.754 4.306 . 0 0 "[ . 1 . 2]" 1
572 1 25 SER H 1 25 SER HB2 . . 4.200 3.607 3.187 3.992 . 0 0 "[ . 1 . 2]" 1
573 1 25 SER H 1 25 SER QB . . 3.460 3.176 2.949 3.447 . 0 0 "[ . 1 . 2]" 1
574 1 25 SER H 1 25 SER HB3 . . 4.200 3.740 3.042 4.111 . 0 0 "[ . 1 . 2]" 1
575 1 25 SER H 1 26 GLU H . . 3.280 2.697 2.490 2.897 . 0 0 "[ . 1 . 2]" 1
576 1 25 SER H 1 71 GLU HA . . 4.900 4.615 4.410 4.874 . 0 0 "[ . 1 . 2]" 1
577 1 25 SER H 1 71 GLU HG2 . . 4.870 3.603 3.193 3.993 . 0 0 "[ . 1 . 2]" 1
578 1 25 SER H 1 71 GLU HG3 . . 4.870 4.476 3.990 4.777 . 0 0 "[ . 1 . 2]" 1
579 1 25 SER H 1 72 ALA H . . 4.070 3.636 3.224 4.071 0.001 5 0 "[ . 1 . 2]" 1
580 1 25 SER H 1 72 ALA MB . . 3.900 3.477 2.954 3.781 . 0 0 "[ . 1 . 2]" 1
581 1 25 SER H 1 95 VAL MG1 . . 3.810 3.591 3.362 3.819 0.009 19 0 "[ . 1 . 2]" 1
582 1 25 SER HA 1 71 GLU HB2 . . 5.130 4.772 4.426 5.037 . 0 0 "[ . 1 . 2]" 1
583 1 25 SER HA 1 71 GLU HB3 . . 5.130 4.839 4.423 5.133 0.003 19 0 "[ . 1 . 2]" 1
584 1 25 SER HA 1 71 GLU HG2 . . 3.600 2.657 2.215 3.210 . 0 0 "[ . 1 . 2]" 1
585 1 25 SER HA 1 71 GLU HG3 . . 3.600 2.636 2.325 2.930 . 0 0 "[ . 1 . 2]" 1
586 1 25 SER HA 1 72 ALA H . . 4.360 3.416 2.902 3.938 . 0 0 "[ . 1 . 2]" 1
587 1 25 SER HA 1 72 ALA MB . . 4.860 4.364 3.963 4.790 . 0 0 "[ . 1 . 2]" 1
588 1 25 SER QB 1 71 GLU QG . . 3.820 3.583 3.187 3.821 0.001 15 0 "[ . 1 . 2]" 1
589 1 25 SER HB2 1 26 GLU H . . 4.670 4.426 4.294 4.613 . 0 0 "[ . 1 . 2]" 1
590 1 25 SER HB2 1 71 GLU HG2 . . 5.500 5.012 4.283 5.509 0.009 8 0 "[ . 1 . 2]" 1
591 1 25 SER HB2 1 71 GLU HG3 . . 5.500 4.717 3.657 5.408 . 0 0 "[ . 1 . 2]" 1
592 1 25 SER HB3 1 26 GLU H . . 4.670 4.448 4.172 4.650 . 0 0 "[ . 1 . 2]" 1
593 1 25 SER HB3 1 71 GLU HG2 . . 5.500 4.739 4.063 5.397 . 0 0 "[ . 1 . 2]" 1
594 1 25 SER HB3 1 71 GLU HG3 . . 5.500 4.312 3.455 5.191 . 0 0 "[ . 1 . 2]" 1
595 1 26 GLU H 1 26 GLU QB . . 2.900 2.590 2.468 2.676 . 0 0 "[ . 1 . 2]" 1
596 1 26 GLU H 1 26 GLU HG2 . . 4.250 3.406 3.112 4.066 . 0 0 "[ . 1 . 2]" 1
597 1 26 GLU H 1 26 GLU QG . . 3.620 3.182 3.030 3.327 . 0 0 "[ . 1 . 2]" 1
598 1 26 GLU H 1 26 GLU HG3 . . 4.250 4.067 3.486 4.251 0.001 8 0 "[ . 1 . 2]" 1
599 1 26 GLU H 1 28 VAL MG2 . . 4.680 4.439 4.273 4.621 . 0 0 "[ . 1 . 2]" 1
600 1 26 GLU H 1 71 GLU HA . . 4.260 3.531 3.271 3.696 . 0 0 "[ . 1 . 2]" 1
601 1 26 GLU H 1 72 ALA H . . 3.910 2.194 1.862 2.584 . 0 0 "[ . 1 . 2]" 1
602 1 26 GLU H 1 72 ALA MB . . 3.630 2.390 1.876 2.874 . 0 0 "[ . 1 . 2]" 1
603 1 26 GLU H 1 95 VAL MG1 . . 4.490 4.253 3.957 4.465 . 0 0 "[ . 1 . 2]" 1
604 1 26 GLU HA 1 26 GLU HG2 . . 3.780 2.621 2.240 2.841 . 0 0 "[ . 1 . 2]" 1
605 1 26 GLU HA 1 26 GLU QG . . 2.980 2.564 2.203 2.762 . 0 0 "[ . 1 . 2]" 1
606 1 26 GLU HA 1 26 GLU HG3 . . 3.780 3.641 3.198 3.782 0.002 1 0 "[ . 1 . 2]" 1
607 1 26 GLU HA 1 27 ARG H . . 2.580 2.534 2.404 2.584 0.004 16 0 "[ . 1 . 2]" 1
608 1 26 GLU HA 1 27 ARG QB . . 4.160 4.055 4.009 4.097 . 0 0 "[ . 1 . 2]" 1
609 1 26 GLU QB 1 27 ARG H . . 3.050 2.125 2.026 2.387 . 0 0 "[ . 1 . 2]" 1
610 1 26 GLU QB 1 28 VAL MG2 . . 4.030 3.297 3.210 3.398 . 0 0 "[ . 1 . 2]" 1
611 1 26 GLU HB2 1 27 ARG H . . 3.680 3.476 3.390 3.673 . 0 0 "[ . 1 . 2]" 1
612 1 26 GLU HB2 1 28 VAL MG2 . . 4.600 3.556 3.461 3.653 . 0 0 "[ . 1 . 2]" 1
613 1 26 GLU HB2 1 72 ALA MB . . 4.910 2.741 2.388 3.194 . 0 0 "[ . 1 . 2]" 1
614 1 26 GLU HB3 1 27 ARG H . . 3.680 2.144 2.041 2.419 . 0 0 "[ . 1 . 2]" 1
615 1 26 GLU HB3 1 28 VAL MG2 . . 4.600 3.909 3.763 4.137 . 0 0 "[ . 1 . 2]" 1
616 1 26 GLU HB3 1 72 ALA MB . . 4.910 3.878 3.537 4.322 . 0 0 "[ . 1 . 2]" 1
617 1 26 GLU QG 1 27 ARG H . . 4.250 3.991 3.602 4.219 . 0 0 "[ . 1 . 2]" 1
618 1 26 GLU HG2 1 27 ARG H . . 5.030 4.378 3.740 4.662 . 0 0 "[ . 1 . 2]" 1
619 1 26 GLU HG3 1 27 ARG H . . 5.030 4.651 4.466 4.817 . 0 0 "[ . 1 . 2]" 1
620 1 27 ARG H 1 27 ARG QB . . 2.810 2.387 2.341 2.422 . 0 0 "[ . 1 . 2]" 1
621 1 27 ARG H 1 27 ARG HD2 . . 5.270 5.061 4.873 5.270 . 0 0 "[ . 1 . 2]" 1
622 1 27 ARG H 1 27 ARG HD3 . . 5.270 5.051 4.835 5.263 . 0 0 "[ . 1 . 2]" 1
623 1 27 ARG H 1 27 ARG HG2 . . 4.720 4.508 4.443 4.624 . 0 0 "[ . 1 . 2]" 1
624 1 27 ARG H 1 27 ARG HG3 . . 4.940 4.600 4.480 4.674 . 0 0 "[ . 1 . 2]" 1
625 1 27 ARG H 1 28 VAL MG2 . . 4.800 4.254 4.039 4.457 . 0 0 "[ . 1 . 2]" 1
626 1 27 ARG HA 1 27 ARG HD2 . . 5.060 4.499 4.209 4.637 . 0 0 "[ . 1 . 2]" 1
627 1 27 ARG HA 1 27 ARG QD . . 4.390 4.030 3.882 4.073 . 0 0 "[ . 1 . 2]" 1
628 1 27 ARG HA 1 27 ARG HD3 . . 5.060 4.558 4.491 4.637 . 0 0 "[ . 1 . 2]" 1
629 1 27 ARG HA 1 27 ARG HG2 . . 4.040 2.759 2.676 3.024 . 0 0 "[ . 1 . 2]" 1
630 1 27 ARG HA 1 27 ARG HG3 . . 3.790 2.684 2.351 2.856 . 0 0 "[ . 1 . 2]" 1
631 1 27 ARG HA 1 28 VAL H . . 2.870 2.145 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
632 1 27 ARG HA 1 28 VAL HA . . 4.750 4.399 4.394 4.423 . 0 0 "[ . 1 . 2]" 1
633 1 27 ARG HA 1 28 VAL HB . . 4.690 4.598 4.543 4.673 . 0 0 "[ . 1 . 2]" 1
634 1 27 ARG HA 1 28 VAL MG2 . . 4.420 3.835 3.611 4.046 . 0 0 "[ . 1 . 2]" 1
635 1 27 ARG HA 1 68 ILE MG . . 5.270 4.688 4.418 4.805 . 0 0 "[ . 1 . 2]" 1
636 1 27 ARG HA 1 70 PRO HA . . 3.970 3.766 3.622 3.890 . 0 0 "[ . 1 . 2]" 1
637 1 27 ARG HA 1 71 GLU H . . 5.420 4.937 4.782 5.238 . 0 0 "[ . 1 . 2]" 1
638 1 27 ARG HA 1 72 ALA H . . 4.670 4.135 3.711 4.470 . 0 0 "[ . 1 . 2]" 1
639 1 27 ARG HA 1 72 ALA MB . . 4.200 3.900 3.717 4.090 . 0 0 "[ . 1 . 2]" 1
640 1 27 ARG QB 1 27 ARG HD2 . . 3.300 2.402 2.281 2.563 . 0 0 "[ . 1 . 2]" 1
641 1 27 ARG QB 1 27 ARG HD3 . . 3.300 2.373 2.177 2.517 . 0 0 "[ . 1 . 2]" 1
642 1 27 ARG QB 1 28 VAL H . . 4.690 3.832 3.742 3.927 . 0 0 "[ . 1 . 2]" 1
643 1 27 ARG QB 1 29 VAL QG . . 4.710 3.939 3.671 4.294 . 0 0 "[ . 1 . 2]" 1
644 1 27 ARG QB 1 70 PRO HA . . 4.530 4.163 3.986 4.331 . 0 0 "[ . 1 . 2]" 1
645 1 27 ARG QD 1 29 VAL QG . . 3.860 3.060 2.589 3.840 . 0 0 "[ . 1 . 2]" 1
646 1 27 ARG QD 1 68 ILE MG . . 4.380 4.058 3.948 4.197 . 0 0 "[ . 1 . 2]" 1
647 1 27 ARG HD2 1 68 ILE MG . . 5.020 4.671 4.425 4.917 . 0 0 "[ . 1 . 2]" 1
648 1 27 ARG HD3 1 68 ILE MG . . 5.020 4.472 4.237 4.777 . 0 0 "[ . 1 . 2]" 1
649 1 27 ARG HG2 1 28 VAL H . . 4.250 3.094 2.653 3.785 . 0 0 "[ . 1 . 2]" 1
650 1 27 ARG HG2 1 29 VAL QG . . 3.220 2.927 2.551 3.251 0.031 18 0 "[ . 1 . 2]" 1
651 1 27 ARG HG2 1 68 ILE MG . . 3.820 3.151 2.985 3.290 . 0 0 "[ . 1 . 2]" 1
652 1 27 ARG HG2 1 70 PRO HA . . 4.470 4.392 4.144 4.497 0.027 18 0 "[ . 1 . 2]" 1
653 1 27 ARG HG3 1 28 VAL H . . 4.050 3.876 3.521 4.045 . 0 0 "[ . 1 . 2]" 1
654 1 27 ARG HG3 1 29 VAL QG . . 4.460 4.201 3.779 4.475 0.015 11 0 "[ . 1 . 2]" 1
655 1 27 ARG HG3 1 68 ILE MG . . 3.610 3.410 3.227 3.599 . 0 0 "[ . 1 . 2]" 1
656 1 27 ARG HG3 1 70 PRO HA . . 3.210 2.987 2.638 3.213 0.003 18 0 "[ . 1 . 2]" 1
657 1 27 ARG HG3 1 70 PRO HB3 . . 5.240 4.999 4.681 5.232 . 0 0 "[ . 1 . 2]" 1
658 1 28 VAL H 1 28 VAL HB . . 3.360 2.571 2.496 2.688 . 0 0 "[ . 1 . 2]" 1
659 1 28 VAL H 1 28 VAL MG1 . . 4.220 3.816 3.774 3.866 . 0 0 "[ . 1 . 2]" 1
660 1 28 VAL H 1 28 VAL MG2 . . 3.490 2.772 2.548 2.929 . 0 0 "[ . 1 . 2]" 1
661 1 28 VAL H 1 29 VAL H . . 4.820 4.343 4.195 4.510 . 0 0 "[ . 1 . 2]" 1
662 1 28 VAL H 1 29 VAL QG . . 4.660 4.163 3.712 4.570 . 0 0 "[ . 1 . 2]" 1
663 1 28 VAL H 1 68 ILE MG . . 4.760 4.292 4.055 4.468 . 0 0 "[ . 1 . 2]" 1
664 1 28 VAL H 1 69 LEU H . . 3.770 3.155 2.981 3.360 . 0 0 "[ . 1 . 2]" 1
665 1 28 VAL H 1 69 LEU HB2 . . 3.570 2.515 2.387 2.724 . 0 0 "[ . 1 . 2]" 1
666 1 28 VAL H 1 69 LEU HB3 . . 4.210 3.500 3.121 3.859 . 0 0 "[ . 1 . 2]" 1
667 1 28 VAL H 1 69 LEU MD1 . . 5.140 3.960 3.815 4.174 . 0 0 "[ . 1 . 2]" 1
668 1 28 VAL H 1 70 PRO HA . . 5.010 4.924 4.807 5.019 0.009 3 0 "[ . 1 . 2]" 1
669 1 28 VAL H 1 72 ALA MB . . 4.260 3.489 3.049 3.864 . 0 0 "[ . 1 . 2]" 1
670 1 28 VAL HA 1 28 VAL MG1 . . 3.220 2.414 2.318 2.480 . 0 0 "[ . 1 . 2]" 1
671 1 28 VAL HA 1 28 VAL MG2 . . 3.090 2.291 2.189 2.448 . 0 0 "[ . 1 . 2]" 1
672 1 28 VAL HA 1 29 VAL H . . 2.630 2.157 2.140 2.226 . 0 0 "[ . 1 . 2]" 1
673 1 28 VAL HA 1 29 VAL HA . . 5.000 4.406 4.392 4.448 . 0 0 "[ . 1 . 2]" 1
674 1 28 VAL HA 1 29 VAL HB . . 5.010 4.794 4.543 4.979 . 0 0 "[ . 1 . 2]" 1
675 1 28 VAL HA 1 29 VAL QG . . 4.180 3.504 3.442 3.601 . 0 0 "[ . 1 . 2]" 1
676 1 28 VAL HA 1 72 ALA MB . . 5.090 4.580 4.342 4.755 . 0 0 "[ . 1 . 2]" 1
677 1 28 VAL HB 1 29 VAL H . . 4.690 4.242 4.020 4.371 . 0 0 "[ . 1 . 2]" 1
678 1 28 VAL HB 1 69 LEU H . . 4.320 4.114 3.850 4.303 . 0 0 "[ . 1 . 2]" 1
679 1 28 VAL HB 1 69 LEU HB2 . . 3.370 2.210 2.015 2.423 . 0 0 "[ . 1 . 2]" 1
680 1 28 VAL HB 1 69 LEU HB3 . . 3.780 3.524 3.128 3.786 0.006 17 0 "[ . 1 . 2]" 1
681 1 28 VAL HB 1 69 LEU MD1 . . 3.540 2.199 1.995 2.537 . 0 0 "[ . 1 . 2]" 1
682 1 28 VAL HB 1 69 LEU MD2 . . 5.000 4.552 4.320 4.753 . 0 0 "[ . 1 . 2]" 1
683 1 28 VAL HB 1 69 LEU HG . . 4.490 4.041 3.837 4.318 . 0 0 "[ . 1 . 2]" 1
684 1 28 VAL HB 1 72 ALA MB . . 4.320 3.224 2.834 3.696 . 0 0 "[ . 1 . 2]" 1
685 1 28 VAL MG1 1 29 VAL H . . 3.480 2.573 2.262 2.790 . 0 0 "[ . 1 . 2]" 1
686 1 28 VAL MG1 1 29 VAL HA . . 4.300 3.469 3.170 3.634 . 0 0 "[ . 1 . 2]" 1
687 1 28 VAL MG1 1 29 VAL MG1 . . 5.260 4.426 4.046 4.831 . 0 0 "[ . 1 . 2]" 1
688 1 28 VAL MG1 1 29 VAL QG . . 4.140 3.885 3.750 3.955 . 0 0 "[ . 1 . 2]" 1
689 1 28 VAL MG1 1 29 VAL MG2 . . 5.260 4.481 3.978 4.932 . 0 0 "[ . 1 . 2]" 1
690 1 28 VAL MG1 1 30 LEU H . . 4.250 3.784 3.256 4.055 . 0 0 "[ . 1 . 2]" 1
691 1 28 VAL MG1 1 30 LEU HA . . 4.860 4.344 4.061 4.547 . 0 0 "[ . 1 . 2]" 1
692 1 28 VAL MG1 1 30 LEU MD2 . . 3.070 2.905 2.615 3.071 0.001 16 0 "[ . 1 . 2]" 1
693 1 28 VAL MG1 1 30 LEU HG . . 3.560 3.078 2.839 3.518 . 0 0 "[ . 1 . 2]" 1
694 1 28 VAL MG1 1 68 ILE HA . . 5.270 4.661 4.144 4.962 . 0 0 "[ . 1 . 2]" 1
695 1 28 VAL MG1 1 69 LEU H . . 4.730 4.588 4.248 4.739 0.009 18 0 "[ . 1 . 2]" 1
696 1 28 VAL MG1 1 69 LEU HB2 . . 3.950 3.590 3.381 3.798 . 0 0 "[ . 1 . 2]" 1
697 1 28 VAL MG1 1 69 LEU MD1 . . 3.310 2.614 2.247 2.942 . 0 0 "[ . 1 . 2]" 1
698 1 28 VAL MG1 1 72 ALA MB . . 4.070 3.896 3.729 4.066 . 0 0 "[ . 1 . 2]" 1
699 1 28 VAL MG1 1 93 VAL HA . . 5.500 4.818 4.483 5.331 . 0 0 "[ . 1 . 2]" 1
700 1 28 VAL MG1 1 93 VAL HB . . 5.130 4.531 4.160 5.058 . 0 0 "[ . 1 . 2]" 1
701 1 28 VAL MG1 1 93 VAL MG1 . . 3.340 2.458 1.946 2.807 . 0 0 "[ . 1 . 2]" 1
702 1 28 VAL MG1 1 93 VAL MG2 . . 3.180 2.708 2.436 3.109 . 0 0 "[ . 1 . 2]" 1
703 1 28 VAL MG2 1 29 VAL H . . 4.130 3.996 3.773 4.115 . 0 0 "[ . 1 . 2]" 1
704 1 28 VAL MG2 1 69 LEU H . . 5.240 5.103 4.910 5.241 0.001 7 0 "[ . 1 . 2]" 1
705 1 28 VAL MG2 1 69 LEU HB2 . . 3.830 3.579 3.451 3.724 . 0 0 "[ . 1 . 2]" 1
706 1 28 VAL MG2 1 69 LEU MD1 . . 3.550 3.285 3.065 3.569 0.019 18 0 "[ . 1 . 2]" 1
707 1 28 VAL MG2 1 72 ALA H . . 4.310 4.078 3.767 4.259 . 0 0 "[ . 1 . 2]" 1
708 1 28 VAL MG2 1 72 ALA HA . . 4.740 3.719 3.156 4.087 . 0 0 "[ . 1 . 2]" 1
709 1 28 VAL MG2 1 72 ALA MB . . 2.810 1.860 1.775 1.999 . 0 0 "[ . 1 . 2]" 1
710 1 28 VAL MG2 1 93 VAL MG1 . . 3.880 2.908 2.698 3.186 . 0 0 "[ . 1 . 2]" 1
711 1 28 VAL MG2 1 93 VAL MG2 . . 4.580 4.131 3.881 4.406 . 0 0 "[ . 1 . 2]" 1
712 1 28 VAL MG2 1 94 THR H . . 5.500 5.259 4.953 5.483 . 0 0 "[ . 1 . 2]" 1
713 1 28 VAL MG2 1 95 VAL MG1 . . 4.470 4.067 3.756 4.281 . 0 0 "[ . 1 . 2]" 1
714 1 28 VAL MG2 1 95 VAL MG2 . . 3.720 3.124 2.798 3.544 . 0 0 "[ . 1 . 2]" 1
715 1 29 VAL H 1 29 VAL HB . . 3.440 3.131 2.805 3.426 . 0 0 "[ . 1 . 2]" 1
716 1 29 VAL H 1 29 VAL MG1 . . 3.930 2.976 1.915 3.959 0.029 9 0 "[ . 1 . 2]" 1
717 1 29 VAL H 1 29 VAL QG . . 3.230 2.409 1.909 2.953 . 0 0 "[ . 1 . 2]" 1
718 1 29 VAL H 1 29 VAL MG2 . . 3.930 3.315 2.799 3.783 . 0 0 "[ . 1 . 2]" 1
719 1 29 VAL H 1 30 LEU H . . 4.560 4.135 3.877 4.269 . 0 0 "[ . 1 . 2]" 1
720 1 29 VAL H 1 30 LEU MD2 . . 4.750 4.544 4.282 4.750 . 0 0 "[ . 1 . 2]" 1
721 1 29 VAL HA 1 29 VAL MG1 . . 3.220 2.713 2.192 3.173 . 0 0 "[ . 1 . 2]" 1
722 1 29 VAL HA 1 29 VAL QG . . 2.820 2.236 2.037 2.449 . 0 0 "[ . 1 . 2]" 1
723 1 29 VAL HA 1 29 VAL MG2 . . 3.220 2.440 2.311 2.552 . 0 0 "[ . 1 . 2]" 1
724 1 29 VAL HA 1 30 LEU H . . 2.820 2.146 2.140 2.168 . 0 0 "[ . 1 . 2]" 1
725 1 29 VAL HA 1 30 LEU HG . . 4.320 3.938 3.704 4.104 . 0 0 "[ . 1 . 2]" 1
726 1 29 VAL HA 1 67 LEU H . . 4.510 4.468 4.227 4.534 0.024 17 0 "[ . 1 . 2]" 1
727 1 29 VAL HA 1 67 LEU QD . . 5.180 4.315 3.982 4.522 . 0 0 "[ . 1 . 2]" 1
728 1 29 VAL HA 1 68 ILE HB . . 5.500 5.028 4.901 5.190 . 0 0 "[ . 1 . 2]" 1
729 1 29 VAL HA 1 68 ILE MD . . 5.150 4.780 4.534 5.004 . 0 0 "[ . 1 . 2]" 1
730 1 29 VAL HA 1 68 ILE HG12 . . 4.330 3.611 3.274 3.952 . 0 0 "[ . 1 . 2]" 1
731 1 29 VAL HA 1 68 ILE HG13 . . 4.410 3.450 3.155 3.685 . 0 0 "[ . 1 . 2]" 1
732 1 29 VAL HA 1 68 ILE MG . . 4.650 4.007 3.832 4.176 . 0 0 "[ . 1 . 2]" 1
733 1 29 VAL HA 1 69 LEU H . . 4.130 3.622 3.534 3.803 . 0 0 "[ . 1 . 2]" 1
734 1 29 VAL HB 1 30 LEU H . . 4.550 4.206 4.076 4.387 . 0 0 "[ . 1 . 2]" 1
735 1 29 VAL HB 1 68 ILE MD . . 4.880 4.270 3.532 4.965 0.085 8 0 "[ . 1 . 2]" 1
736 1 29 VAL HB 1 68 ILE HG12 . . 5.130 2.986 1.993 4.013 . 0 0 "[ . 1 . 2]" 1
737 1 29 VAL HB 1 68 ILE HG13 . . 5.420 3.689 2.532 4.701 . 0 0 "[ . 1 . 2]" 1
738 1 29 VAL HB 1 68 ILE MG . . 4.800 3.989 2.999 4.868 0.068 8 0 "[ . 1 . 2]" 1
739 1 29 VAL QG 1 30 LEU H . . 3.400 2.758 2.486 3.001 . 0 0 "[ . 1 . 2]" 1
740 1 29 VAL QG 1 30 LEU HA . . 4.260 3.855 3.558 4.177 . 0 0 "[ . 1 . 2]" 1
741 1 29 VAL QG 1 31 THR H . . 5.180 4.940 4.717 5.186 0.006 9 0 "[ . 1 . 2]" 1
742 1 29 VAL QG 1 31 THR HA . . 4.700 4.467 4.235 4.671 . 0 0 "[ . 1 . 2]" 1
743 1 29 VAL QG 1 66 ARG HA . . 4.850 4.616 4.442 4.762 . 0 0 "[ . 1 . 2]" 1
744 1 29 VAL QG 1 66 ARG QB . . 3.740 2.661 2.482 2.830 . 0 0 "[ . 1 . 2]" 1
745 1 29 VAL QG 1 66 ARG QD . . 3.100 2.403 2.140 2.757 . 0 0 "[ . 1 . 2]" 1
746 1 29 VAL QG 1 66 ARG QG . . 4.050 3.778 2.963 4.038 . 0 0 "[ . 1 . 2]" 1
747 1 29 VAL QG 1 67 LEU H . . 4.340 3.822 3.277 4.028 . 0 0 "[ . 1 . 2]" 1
748 1 29 VAL QG 1 67 LEU QD . . 5.370 4.520 4.158 4.875 . 0 0 "[ . 1 . 2]" 1
749 1 29 VAL QG 1 68 ILE HG12 . . 3.480 2.110 1.657 2.759 . 0 0 "[ . 1 . 2]" 1
750 1 29 VAL QG 1 68 ILE HG13 . . 4.060 2.130 1.809 2.547 . 0 0 "[ . 1 . 2]" 1
751 1 29 VAL QG 1 69 LEU H . . 4.530 3.404 2.491 4.257 . 0 0 "[ . 1 . 2]" 1
752 1 29 VAL MG1 1 30 LEU H . . 4.440 3.539 2.669 4.307 . 0 0 "[ . 1 . 2]" 1
753 1 29 VAL MG1 1 66 ARG QD . . 4.550 3.474 2.145 4.601 0.051 18 0 "[ . 1 . 2]" 1
754 1 29 VAL MG2 1 30 LEU H . . 4.440 3.474 2.504 4.215 . 0 0 "[ . 1 . 2]" 1
755 1 29 VAL MG2 1 66 ARG QD . . 4.550 3.425 2.174 4.559 0.009 19 0 "[ . 1 . 2]" 1
756 1 30 LEU H 1 30 LEU HB2 . . 3.590 2.479 2.392 2.609 . 0 0 "[ . 1 . 2]" 1
757 1 30 LEU H 1 30 LEU HB3 . . 4.120 3.622 3.597 3.656 . 0 0 "[ . 1 . 2]" 1
758 1 30 LEU H 1 30 LEU MD1 . . 4.380 3.632 3.456 3.837 . 0 0 "[ . 1 . 2]" 1
759 1 30 LEU H 1 30 LEU MD2 . . 3.890 3.566 3.364 3.697 . 0 0 "[ . 1 . 2]" 1
760 1 30 LEU H 1 30 LEU HG . . 3.430 2.448 2.122 2.620 . 0 0 "[ . 1 . 2]" 1
761 1 30 LEU H 1 31 THR H . . 4.640 4.477 4.439 4.501 . 0 0 "[ . 1 . 2]" 1
762 1 30 LEU H 1 66 ARG HA . . 4.710 4.641 4.437 4.779 0.069 18 0 "[ . 1 . 2]" 1
763 1 30 LEU H 1 66 ARG HB2 . . 5.400 3.827 3.466 4.033 . 0 0 "[ . 1 . 2]" 1
764 1 30 LEU H 1 66 ARG QB . . 4.650 3.729 3.408 3.923 . 0 0 "[ . 1 . 2]" 1
765 1 30 LEU H 1 66 ARG HB3 . . 5.400 5.161 4.769 5.373 . 0 0 "[ . 1 . 2]" 1
766 1 30 LEU H 1 67 LEU H . . 3.640 2.880 2.685 3.058 . 0 0 "[ . 1 . 2]" 1
767 1 30 LEU H 1 67 LEU HB2 . . 5.100 4.653 4.450 4.781 . 0 0 "[ . 1 . 2]" 1
768 1 30 LEU H 1 67 LEU HB3 . . 4.360 3.534 3.406 3.670 . 0 0 "[ . 1 . 2]" 1
769 1 30 LEU H 1 67 LEU QD . . 4.690 4.189 3.912 4.401 . 0 0 "[ . 1 . 2]" 1
770 1 30 LEU H 1 68 ILE HA . . 4.050 3.714 3.535 3.888 . 0 0 "[ . 1 . 2]" 1
771 1 30 LEU H 1 68 ILE HG12 . . 5.500 5.227 4.760 5.477 . 0 0 "[ . 1 . 2]" 1
772 1 30 LEU H 1 69 LEU H . . 5.500 5.447 5.348 5.506 0.006 2 0 "[ . 1 . 2]" 1
773 1 30 LEU HA 1 30 LEU MD1 . . 4.000 3.904 3.858 3.957 . 0 0 "[ . 1 . 2]" 1
774 1 30 LEU HA 1 30 LEU MD2 . . 2.980 2.184 1.978 2.419 . 0 0 "[ . 1 . 2]" 1
775 1 30 LEU HA 1 30 LEU HG . . 4.220 3.088 3.005 3.186 . 0 0 "[ . 1 . 2]" 1
776 1 30 LEU HA 1 31 THR H . . 2.680 2.650 2.624 2.705 0.025 18 0 "[ . 1 . 2]" 1
777 1 30 LEU HA 1 31 THR HA . . 5.060 4.595 4.565 4.615 . 0 0 "[ . 1 . 2]" 1
778 1 30 LEU HA 1 91 PHE QD . . 5.500 4.843 4.600 5.138 . 0 0 "[ . 1 . 2]" 1
779 1 30 LEU HA 1 91 PHE QE . . 5.500 5.276 4.971 5.488 . 0 0 "[ . 1 . 2]" 1
780 1 30 LEU HB2 1 30 LEU MD1 . . 3.430 2.245 2.122 2.365 . 0 0 "[ . 1 . 2]" 1
781 1 30 LEU HB2 1 31 THR H . . 4.320 3.102 2.947 3.198 . 0 0 "[ . 1 . 2]" 1
782 1 30 LEU HB2 1 43 TRP HH2 . . 4.090 3.066 2.673 3.524 . 0 0 "[ . 1 . 2]" 1
783 1 30 LEU HB2 1 43 TRP HZ2 . . 5.120 4.543 4.024 4.811 . 0 0 "[ . 1 . 2]" 1
784 1 30 LEU HB2 1 43 TRP HZ3 . . 4.830 3.857 3.286 4.285 . 0 0 "[ . 1 . 2]" 1
785 1 30 LEU HB2 1 67 LEU H . . 4.070 2.260 1.931 2.575 . 0 0 "[ . 1 . 2]" 1
786 1 30 LEU HB2 1 67 LEU HB2 . . 4.670 3.696 3.225 4.020 . 0 0 "[ . 1 . 2]" 1
787 1 30 LEU HB2 1 67 LEU HB3 . . 4.240 3.266 2.927 3.658 . 0 0 "[ . 1 . 2]" 1
788 1 30 LEU HB2 1 91 PHE QD . . 5.500 4.961 4.675 5.241 . 0 0 "[ . 1 . 2]" 1
789 1 30 LEU HB2 1 91 PHE QE . . 5.500 5.169 4.794 5.449 . 0 0 "[ . 1 . 2]" 1
790 1 30 LEU HB3 1 30 LEU MD1 . . 3.430 2.429 2.335 2.553 . 0 0 "[ . 1 . 2]" 1
791 1 30 LEU HB3 1 30 LEU MD2 . . 3.240 2.264 2.141 2.365 . 0 0 "[ . 1 . 2]" 1
792 1 30 LEU HB3 1 31 THR H . . 3.870 1.965 1.917 2.061 . 0 0 "[ . 1 . 2]" 1
793 1 30 LEU HB3 1 43 TRP HH2 . . 4.110 3.355 2.873 3.563 . 0 0 "[ . 1 . 2]" 1
794 1 30 LEU HB3 1 43 TRP HZ2 . . 5.500 5.401 4.893 5.505 0.005 13 0 "[ . 1 . 2]" 1
795 1 30 LEU HB3 1 43 TRP HZ3 . . 4.780 4.012 3.428 4.293 . 0 0 "[ . 1 . 2]" 1
796 1 30 LEU HB3 1 67 LEU H . . 4.520 3.882 3.537 4.197 . 0 0 "[ . 1 . 2]" 1
797 1 30 LEU HB3 1 91 PHE QD . . 4.830 3.718 3.312 4.049 . 0 0 "[ . 1 . 2]" 1
798 1 30 LEU HB3 1 91 PHE QE . . 4.940 4.005 3.660 4.280 . 0 0 "[ . 1 . 2]" 1
799 1 30 LEU HB3 1 91 PHE HZ . . 5.500 4.781 4.585 5.037 . 0 0 "[ . 1 . 2]" 1
800 1 30 LEU MD1 1 31 THR H . . 4.720 4.058 3.924 4.195 . 0 0 "[ . 1 . 2]" 1
801 1 30 LEU MD1 1 43 TRP HE3 . . 4.700 3.646 3.315 3.988 . 0 0 "[ . 1 . 2]" 1
802 1 30 LEU MD1 1 43 TRP HH2 . . 4.500 3.132 2.660 3.448 . 0 0 "[ . 1 . 2]" 1
803 1 30 LEU MD1 1 43 TRP HZ3 . . 3.770 2.252 1.953 2.566 . 0 0 "[ . 1 . 2]" 1
804 1 30 LEU MD1 1 67 LEU H . . 4.340 3.591 3.294 3.881 . 0 0 "[ . 1 . 2]" 1
805 1 30 LEU MD1 1 67 LEU HB2 . . 4.140 3.276 2.706 3.804 . 0 0 "[ . 1 . 2]" 1
806 1 30 LEU MD1 1 67 LEU HB3 . . 3.880 2.665 2.211 3.361 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU MD1 1 80 PHE H . . 4.790 4.222 3.873 4.627 . 0 0 "[ . 1 . 2]" 1
808 1 30 LEU MD1 1 80 PHE HA . . 4.940 4.624 4.340 4.875 . 0 0 "[ . 1 . 2]" 1
809 1 30 LEU MD1 1 80 PHE HB2 . . 3.650 2.398 2.153 2.648 . 0 0 "[ . 1 . 2]" 1
810 1 30 LEU MD1 1 80 PHE HB3 . . 3.980 2.814 2.500 3.142 . 0 0 "[ . 1 . 2]" 1
811 1 30 LEU MD1 1 80 PHE QD . . 3.910 2.939 2.668 3.162 . 0 0 "[ . 1 . 2]" 1
812 1 30 LEU MD1 1 80 PHE QE . . 4.130 3.805 3.528 4.032 . 0 0 "[ . 1 . 2]" 1
813 1 30 LEU MD1 1 91 PHE HB2 . . 4.070 2.405 2.051 2.818 . 0 0 "[ . 1 . 2]" 1
814 1 30 LEU MD1 1 91 PHE QB . . 3.470 2.303 1.927 2.674 . 0 0 "[ . 1 . 2]" 1
815 1 30 LEU MD1 1 91 PHE HB3 . . 4.070 2.966 2.340 3.352 . 0 0 "[ . 1 . 2]" 1
816 1 30 LEU MD1 1 91 PHE QD . . 4.270 3.121 2.672 3.367 . 0 0 "[ . 1 . 2]" 1
817 1 30 LEU MD1 1 91 PHE QE . . 4.970 4.170 3.877 4.420 . 0 0 "[ . 1 . 2]" 1
818 1 30 LEU MD1 1 93 VAL HB . . 5.500 4.862 4.528 5.124 . 0 0 "[ . 1 . 2]" 1
819 1 30 LEU MD1 1 93 VAL MG2 . . 3.320 2.811 2.480 3.016 . 0 0 "[ . 1 . 2]" 1
820 1 30 LEU MD2 1 31 THR H . . 3.690 3.336 3.106 3.658 . 0 0 "[ . 1 . 2]" 1
821 1 30 LEU MD2 1 43 TRP HH2 . . 5.300 4.870 4.440 5.156 . 0 0 "[ . 1 . 2]" 1
822 1 30 LEU MD2 1 80 PHE HB3 . . 5.390 4.822 4.357 5.204 . 0 0 "[ . 1 . 2]" 1
823 1 30 LEU MD2 1 80 PHE QD . . 4.570 4.319 3.922 4.572 0.002 1 0 "[ . 1 . 2]" 1
824 1 30 LEU MD2 1 91 PHE HB2 . . 3.870 2.936 2.493 3.331 . 0 0 "[ . 1 . 2]" 1
825 1 30 LEU MD2 1 91 PHE QB . . 3.360 2.184 1.903 2.447 . 0 0 "[ . 1 . 2]" 1
826 1 30 LEU MD2 1 91 PHE HB3 . . 3.870 2.258 1.955 2.522 . 0 0 "[ . 1 . 2]" 1
827 1 30 LEU MD2 1 91 PHE QD . . 3.260 2.981 2.651 3.192 . 0 0 "[ . 1 . 2]" 1
828 1 30 LEU MD2 1 91 PHE QE . . 4.770 4.265 3.926 4.490 . 0 0 "[ . 1 . 2]" 1
829 1 30 LEU MD2 1 93 VAL MG2 . . 3.000 2.227 1.864 2.412 . 0 0 "[ . 1 . 2]" 1
830 1 30 LEU HG 1 67 LEU H . . 4.690 4.106 3.928 4.377 . 0 0 "[ . 1 . 2]" 1
831 1 30 LEU HG 1 67 LEU HB2 . . 5.500 4.800 4.427 5.142 . 0 0 "[ . 1 . 2]" 1
832 1 30 LEU HG 1 67 LEU HB3 . . 4.670 3.481 3.172 3.955 . 0 0 "[ . 1 . 2]" 1
833 1 31 THR H 1 31 THR HB . . 3.260 3.055 2.978 3.192 . 0 0 "[ . 1 . 2]" 1
834 1 31 THR H 1 31 THR MG . . 4.060 4.010 3.964 4.050 . 0 0 "[ . 1 . 2]" 1
835 1 31 THR H 1 32 CYS H . . 4.570 4.236 4.148 4.308 . 0 0 "[ . 1 . 2]" 1
836 1 31 THR H 1 43 TRP HH2 . . 5.010 4.007 3.648 4.291 . 0 0 "[ . 1 . 2]" 1
837 1 31 THR H 1 91 PHE QD . . 5.490 4.039 3.732 4.403 . 0 0 "[ . 1 . 2]" 1
838 1 31 THR H 1 91 PHE QE . . 3.670 3.406 3.062 3.665 . 0 0 "[ . 1 . 2]" 1
839 1 31 THR H 1 91 PHE HZ . . 4.590 4.222 3.973 4.396 . 0 0 "[ . 1 . 2]" 1
840 1 31 THR HA 1 31 THR MG . . 3.200 2.278 2.147 2.416 . 0 0 "[ . 1 . 2]" 1
841 1 31 THR HA 1 32 CYS H . . 2.890 2.200 2.158 2.243 . 0 0 "[ . 1 . 2]" 1
842 1 31 THR HA 1 43 TRP HH2 . . 4.840 4.588 4.047 4.802 . 0 0 "[ . 1 . 2]" 1
843 1 31 THR HA 1 43 TRP HZ2 . . 5.380 4.987 4.591 5.345 . 0 0 "[ . 1 . 2]" 1
844 1 31 THR HA 1 65 HIS H . . 5.420 5.194 5.068 5.412 . 0 0 "[ . 1 . 2]" 1
845 1 31 THR HA 1 66 ARG HA . . 3.470 2.969 2.660 3.348 . 0 0 "[ . 1 . 2]" 1
846 1 31 THR HA 1 66 ARG QG . . 4.070 3.975 3.757 4.113 0.043 18 0 "[ . 1 . 2]" 1
847 1 31 THR HA 1 67 LEU H . . 4.470 4.381 4.225 4.509 0.039 18 0 "[ . 1 . 2]" 1
848 1 31 THR HA 1 91 PHE HZ . . 5.500 5.392 5.165 5.500 0.000 7 0 "[ . 1 . 2]" 1
849 1 31 THR HB 1 32 CYS H . . 4.930 3.930 3.705 4.100 . 0 0 "[ . 1 . 2]" 1
850 1 31 THR MG 1 32 CYS H . . 3.480 2.279 2.058 2.697 . 0 0 "[ . 1 . 2]" 1
851 1 31 THR MG 1 32 CYS HA . . 4.320 3.543 3.251 3.928 . 0 0 "[ . 1 . 2]" 1
852 1 31 THR MG 1 33 GLU H . . 4.690 4.623 4.384 4.711 0.021 18 0 "[ . 1 . 2]" 1
853 1 31 THR MG 1 64 LYS HA . . 5.040 4.848 4.256 5.043 0.003 1 0 "[ . 1 . 2]" 1
854 1 31 THR MG 1 64 LYS QE . . 4.660 4.161 2.413 4.659 . 0 0 "[ . 1 . 2]" 1
855 1 31 THR MG 1 65 HIS H . . 4.750 4.696 4.434 4.762 0.012 18 0 "[ . 1 . 2]" 1
856 1 31 THR MG 1 66 ARG HA . . 4.780 4.618 4.327 4.808 0.028 18 0 "[ . 1 . 2]" 1
857 1 31 THR MG 1 66 ARG QD . . 4.360 4.015 3.235 4.340 . 0 0 "[ . 1 . 2]" 1
858 1 31 THR MG 1 66 ARG QG . . 4.280 4.146 3.885 4.280 . 0 0 "[ . 1 . 2]" 1
859 1 32 CYS H 1 32 CYS HB2 . . 4.030 3.297 3.047 3.517 . 0 0 "[ . 1 . 2]" 1
860 1 32 CYS H 1 32 CYS HB3 . . 3.690 2.955 2.756 3.083 . 0 0 "[ . 1 . 2]" 1
861 1 32 CYS H 1 32 CYS HG . . 5.500 5.175 4.947 5.400 . 0 0 "[ . 1 . 2]" 1
862 1 32 CYS H 1 43 TRP HH2 . . 4.900 4.788 4.560 4.895 . 0 0 "[ . 1 . 2]" 1
863 1 32 CYS H 1 43 TRP HZ2 . . 5.270 4.795 4.234 5.118 . 0 0 "[ . 1 . 2]" 1
864 1 32 CYS H 1 64 LYS HA . . 4.780 4.419 4.180 4.639 . 0 0 "[ . 1 . 2]" 1
865 1 32 CYS H 1 64 LYS HB3 . . 5.500 4.597 4.196 5.004 . 0 0 "[ . 1 . 2]" 1
866 1 32 CYS H 1 65 HIS H . . 3.960 3.379 3.240 3.553 . 0 0 "[ . 1 . 2]" 1
867 1 32 CYS H 1 65 HIS QB . . 4.720 4.470 4.030 4.720 0.000 12 0 "[ . 1 . 2]" 1
868 1 32 CYS H 1 66 ARG HA . . 4.340 3.677 3.256 3.940 . 0 0 "[ . 1 . 2]" 1
869 1 32 CYS H 1 66 ARG QG . . 4.980 4.462 4.236 4.651 . 0 0 "[ . 1 . 2]" 1
870 1 32 CYS H 1 91 PHE HZ . . 5.500 4.743 4.371 4.893 . 0 0 "[ . 1 . 2]" 1
871 1 32 CYS HA 1 32 CYS HG . . 3.700 2.834 2.518 3.230 . 0 0 "[ . 1 . 2]" 1
872 1 32 CYS HA 1 33 GLU H . . 2.850 2.244 2.173 2.349 . 0 0 "[ . 1 . 2]" 1
873 1 32 CYS HA 1 33 GLU HB2 . . 4.510 4.256 4.097 4.412 . 0 0 "[ . 1 . 2]" 1
874 1 32 CYS HA 1 89 ALA MB . . 4.830 4.460 4.055 4.832 0.002 9 0 "[ . 1 . 2]" 1
875 1 32 CYS HA 1 91 PHE QE . . 4.670 3.937 3.582 4.135 . 0 0 "[ . 1 . 2]" 1
876 1 32 CYS HA 1 91 PHE HZ . . 3.990 2.884 2.584 3.064 . 0 0 "[ . 1 . 2]" 1
877 1 32 CYS HB2 1 33 GLU H . . 4.460 4.065 3.823 4.322 . 0 0 "[ . 1 . 2]" 1
878 1 32 CYS HB2 1 43 TRP HH2 . . 4.500 3.187 2.833 3.619 . 0 0 "[ . 1 . 2]" 1
879 1 32 CYS HB2 1 43 TRP HZ2 . . 5.030 4.104 3.345 4.497 . 0 0 "[ . 1 . 2]" 1
880 1 32 CYS HB2 1 82 CYS HB2 . . 4.810 4.235 3.784 4.556 . 0 0 "[ . 1 . 2]" 1
881 1 32 CYS HB2 1 82 CYS HB3 . . 4.940 4.361 3.914 4.774 . 0 0 "[ . 1 . 2]" 1
882 1 32 CYS HB2 1 89 ALA MB . . 3.920 3.653 2.927 3.922 0.002 15 0 "[ . 1 . 2]" 1
883 1 32 CYS HB2 1 91 PHE QE . . 3.950 2.999 2.767 3.299 . 0 0 "[ . 1 . 2]" 1
884 1 32 CYS HB2 1 91 PHE HZ . . 3.570 2.280 1.999 2.637 . 0 0 "[ . 1 . 2]" 1
885 1 32 CYS HB3 1 33 GLU H . . 4.730 3.875 3.672 4.088 . 0 0 "[ . 1 . 2]" 1
886 1 32 CYS HB3 1 43 TRP HH2 . . 4.750 3.863 3.431 4.441 . 0 0 "[ . 1 . 2]" 1
887 1 32 CYS HB3 1 43 TRP HZ2 . . 4.290 3.659 3.437 3.917 . 0 0 "[ . 1 . 2]" 1
888 1 32 CYS HB3 1 65 HIS H . . 4.710 3.057 2.703 3.497 . 0 0 "[ . 1 . 2]" 1
889 1 32 CYS HB3 1 65 HIS HB2 . . 4.490 2.708 2.306 3.050 . 0 0 "[ . 1 . 2]" 1
890 1 32 CYS HB3 1 65 HIS QB . . 3.900 2.668 2.288 3.003 . 0 0 "[ . 1 . 2]" 1
891 1 32 CYS HB3 1 65 HIS HB3 . . 4.490 4.057 3.638 4.492 0.002 13 0 "[ . 1 . 2]" 1
892 1 32 CYS HB3 1 82 CYS HB2 . . 4.960 4.403 3.957 4.774 . 0 0 "[ . 1 . 2]" 1
893 1 32 CYS HB3 1 82 CYS HB3 . . 5.020 4.516 4.229 4.935 . 0 0 "[ . 1 . 2]" 1
894 1 32 CYS HB3 1 89 ALA MB . . 4.820 4.515 4.043 4.803 . 0 0 "[ . 1 . 2]" 1
895 1 32 CYS HB3 1 91 PHE QE . . 4.690 4.347 4.042 4.679 . 0 0 "[ . 1 . 2]" 1
896 1 32 CYS HB3 1 91 PHE HZ . . 4.720 3.939 3.664 4.276 . 0 0 "[ . 1 . 2]" 1
897 1 32 CYS HG 1 33 GLU H . . 3.910 2.867 2.125 3.670 . 0 0 "[ . 1 . 2]" 1
898 1 33 GLU H 1 33 GLU HB2 . . 3.700 2.920 2.656 3.122 . 0 0 "[ . 1 . 2]" 1
899 1 33 GLU H 1 33 GLU HB3 . . 3.500 2.776 2.626 2.954 . 0 0 "[ . 1 . 2]" 1
900 1 33 GLU H 1 33 GLU HG2 . . 4.760 4.616 4.437 4.794 0.034 9 0 "[ . 1 . 2]" 1
901 1 33 GLU H 1 33 GLU HG3 . . 4.720 4.610 4.527 4.703 . 0 0 "[ . 1 . 2]" 1
902 1 33 GLU H 1 34 LEU H . . 4.750 4.473 4.400 4.523 . 0 0 "[ . 1 . 2]" 1
903 1 33 GLU H 1 89 ALA MB . . 5.500 4.826 4.435 5.366 . 0 0 "[ . 1 . 2]" 1
904 1 33 GLU HA 1 33 GLU HG2 . . 4.080 3.183 3.004 3.660 . 0 0 "[ . 1 . 2]" 1
905 1 33 GLU HA 1 33 GLU HG3 . . 3.530 2.371 2.201 2.508 . 0 0 "[ . 1 . 2]" 1
906 1 33 GLU HA 1 34 LEU H . . 2.910 2.291 2.220 2.355 . 0 0 "[ . 1 . 2]" 1
907 1 33 GLU HA 1 34 LEU HB2 . . 4.710 4.343 4.164 4.591 . 0 0 "[ . 1 . 2]" 1
908 1 33 GLU HA 1 34 LEU MD2 . . 5.090 4.820 4.152 5.095 0.005 8 0 "[ . 1 . 2]" 1
909 1 33 GLU HA 1 34 LEU HG . . 4.430 3.939 3.524 4.374 . 0 0 "[ . 1 . 2]" 1
910 1 33 GLU HA 1 64 LYS HA . . 3.360 2.433 1.996 2.730 . 0 0 "[ . 1 . 2]" 1
911 1 33 GLU HA 1 64 LYS HG2 . . 4.080 3.082 2.403 3.665 . 0 0 "[ . 1 . 2]" 1
912 1 33 GLU HA 1 65 HIS H . . 4.000 3.454 3.169 3.612 . 0 0 "[ . 1 . 2]" 1
913 1 33 GLU HB2 1 34 LEU H . . 4.870 4.048 3.871 4.219 . 0 0 "[ . 1 . 2]" 1
914 1 33 GLU HB2 1 64 LYS HG2 . . 4.560 3.743 2.983 4.406 . 0 0 "[ . 1 . 2]" 1
915 1 33 GLU HB3 1 34 LEU H . . 4.800 3.671 3.399 3.801 . 0 0 "[ . 1 . 2]" 1
916 1 33 GLU HB3 1 64 LYS HG2 . . 5.500 5.036 4.316 5.503 0.003 9 0 "[ . 1 . 2]" 1
917 1 33 GLU HG2 1 34 LEU H . . 4.220 2.571 2.241 3.900 . 0 0 "[ . 1 . 2]" 1
918 1 33 GLU HG2 1 63 ARG QB . . 4.220 3.696 3.219 4.130 . 0 0 "[ . 1 . 2]" 1
919 1 33 GLU HG2 1 63 ARG QD . . 4.840 4.053 3.004 4.845 0.005 9 0 "[ . 1 . 2]" 1
920 1 33 GLU HG2 1 64 LYS HA . . 5.500 5.095 4.492 5.483 . 0 0 "[ . 1 . 2]" 1
921 1 33 GLU HG2 1 64 LYS QE . . 5.480 4.917 4.259 5.465 . 0 0 "[ . 1 . 2]" 1
922 1 33 GLU HG2 1 64 LYS HG2 . . 4.840 4.460 3.797 4.726 . 0 0 "[ . 1 . 2]" 1
923 1 33 GLU HG3 1 34 LEU H . . 4.090 2.529 2.169 2.901 . 0 0 "[ . 1 . 2]" 1
924 1 33 GLU HG3 1 63 ARG QB . . 4.080 3.428 2.769 3.939 . 0 0 "[ . 1 . 2]" 1
925 1 33 GLU HG3 1 63 ARG QD . . 5.130 4.180 2.905 5.129 . 0 0 "[ . 1 . 2]" 1
926 1 33 GLU HG3 1 64 LYS HA . . 4.390 3.731 3.071 4.135 . 0 0 "[ . 1 . 2]" 1
927 1 33 GLU HG3 1 64 LYS QE . . 4.610 3.592 2.870 4.615 0.005 9 0 "[ . 1 . 2]" 1
928 1 33 GLU HG3 1 64 LYS HG2 . . 3.920 2.783 2.058 3.813 . 0 0 "[ . 1 . 2]" 1
929 1 34 LEU H 1 34 LEU HB2 . . 3.560 2.603 2.426 2.714 . 0 0 "[ . 1 . 2]" 1
930 1 34 LEU H 1 34 LEU HB3 . . 4.030 3.737 3.627 3.815 . 0 0 "[ . 1 . 2]" 1
931 1 34 LEU H 1 34 LEU MD1 . . 4.400 4.209 4.051 4.404 0.004 17 0 "[ . 1 . 2]" 1
932 1 34 LEU H 1 34 LEU MD2 . . 4.200 4.051 3.611 4.193 . 0 0 "[ . 1 . 2]" 1
933 1 34 LEU H 1 34 LEU HG . . 3.750 3.351 2.914 3.692 . 0 0 "[ . 1 . 2]" 1
934 1 34 LEU H 1 35 SER H . . 4.940 4.432 4.388 4.479 . 0 0 "[ . 1 . 2]" 1
935 1 34 LEU H 1 36 ARG H . . 5.330 4.744 4.375 5.257 . 0 0 "[ . 1 . 2]" 1
936 1 34 LEU H 1 63 ARG HA . . 4.880 3.685 3.265 4.261 . 0 0 "[ . 1 . 2]" 1
937 1 34 LEU H 1 63 ARG HB2 . . 4.250 3.305 2.237 4.259 0.009 4 0 "[ . 1 . 2]" 1
938 1 34 LEU H 1 63 ARG QB . . 3.720 2.483 2.226 2.684 . 0 0 "[ . 1 . 2]" 1
939 1 34 LEU H 1 63 ARG HB3 . . 4.250 3.264 2.369 4.238 . 0 0 "[ . 1 . 2]" 1
940 1 34 LEU H 1 63 ARG HG2 . . 5.370 4.674 3.626 5.368 . 0 0 "[ . 1 . 2]" 1
941 1 34 LEU H 1 63 ARG QG . . 4.730 4.040 3.534 4.499 . 0 0 "[ . 1 . 2]" 1
942 1 34 LEU H 1 63 ARG HG3 . . 5.370 4.767 3.763 5.372 0.002 4 0 "[ . 1 . 2]" 1
943 1 34 LEU H 1 64 LYS HA . . 4.240 3.689 3.391 4.113 . 0 0 "[ . 1 . 2]" 1
944 1 34 LEU H 1 64 LYS HG2 . . 5.500 4.248 3.930 4.807 . 0 0 "[ . 1 . 2]" 1
945 1 34 LEU H 1 65 HIS H . . 5.070 4.919 4.459 5.079 0.009 10 0 "[ . 1 . 2]" 1
946 1 34 LEU H 1 65 HIS HD2 . . 4.820 4.534 4.005 4.818 . 0 0 "[ . 1 . 2]" 1
947 1 34 LEU HA 1 34 LEU MD1 . . 4.700 3.850 3.782 3.909 . 0 0 "[ . 1 . 2]" 1
948 1 34 LEU HA 1 34 LEU MD2 . . 3.080 2.074 1.961 2.272 . 0 0 "[ . 1 . 2]" 1
949 1 34 LEU HA 1 35 SER H . . 3.070 2.529 2.472 2.639 . 0 0 "[ . 1 . 2]" 1
950 1 34 LEU HA 1 36 ARG H . . 4.350 4.200 4.033 4.357 0.007 16 0 "[ . 1 . 2]" 1
951 1 34 LEU HB2 1 34 LEU MD1 . . 3.540 2.282 2.123 2.428 . 0 0 "[ . 1 . 2]" 1
952 1 34 LEU HB2 1 35 SER H . . 4.050 3.495 3.075 3.666 . 0 0 "[ . 1 . 2]" 1
953 1 34 LEU HB2 1 36 ARG H . . 3.430 3.197 2.759 3.428 . 0 0 "[ . 1 . 2]" 1
954 1 34 LEU HB2 1 63 ARG HA . . 4.640 2.596 2.104 3.120 . 0 0 "[ . 1 . 2]" 1
955 1 34 LEU HB2 1 65 HIS HD2 . . 4.910 3.644 3.102 4.283 . 0 0 "[ . 1 . 2]" 1
956 1 34 LEU HB3 1 34 LEU MD1 . . 3.460 2.351 2.208 2.497 . 0 0 "[ . 1 . 2]" 1
957 1 34 LEU HB3 1 34 LEU MD2 . . 3.350 2.311 2.208 2.369 . 0 0 "[ . 1 . 2]" 1
958 1 34 LEU HB3 1 35 SER H . . 3.480 2.153 1.931 2.269 . 0 0 "[ . 1 . 2]" 1
959 1 34 LEU HB3 1 35 SER HA . . 4.690 4.457 4.319 4.683 . 0 0 "[ . 1 . 2]" 1
960 1 34 LEU HB3 1 36 ARG H . . 3.260 2.447 2.197 2.734 . 0 0 "[ . 1 . 2]" 1
961 1 34 LEU MD1 1 35 SER H . . 4.430 4.134 3.896 4.361 . 0 0 "[ . 1 . 2]" 1
962 1 34 LEU MD1 1 36 ARG H . . 4.210 3.908 3.681 4.147 . 0 0 "[ . 1 . 2]" 1
963 1 34 LEU MD1 1 39 PHE H . . 4.760 4.140 3.674 4.724 . 0 0 "[ . 1 . 2]" 1
964 1 34 LEU MD1 1 39 PHE HB2 . . 4.040 3.608 3.041 3.937 . 0 0 "[ . 1 . 2]" 1
965 1 34 LEU MD1 1 39 PHE QB . . 3.300 2.537 2.189 2.924 . 0 0 "[ . 1 . 2]" 1
966 1 34 LEU MD1 1 39 PHE HB3 . . 4.040 2.593 2.245 3.015 . 0 0 "[ . 1 . 2]" 1
967 1 34 LEU MD1 1 39 PHE QD . . 3.650 3.082 2.565 3.654 0.004 11 0 "[ . 1 . 2]" 1
968 1 34 LEU MD1 1 41 ALA MB . . 3.560 3.031 2.851 3.259 . 0 0 "[ . 1 . 2]" 1
969 1 34 LEU MD1 1 63 ARG HA . . 4.290 3.436 2.481 4.071 . 0 0 "[ . 1 . 2]" 1
970 1 34 LEU MD1 1 65 HIS HD2 . . 3.730 2.305 1.978 3.003 . 0 0 "[ . 1 . 2]" 1
971 1 34 LEU MD1 1 65 HIS HE1 . . 5.100 4.050 3.656 4.437 . 0 0 "[ . 1 . 2]" 1
972 1 34 LEU MD1 1 84 THR HB . . 4.180 2.991 2.012 3.941 . 0 0 "[ . 1 . 2]" 1
973 1 34 LEU MD1 1 84 THR HG1 . . 4.610 3.745 2.937 4.611 0.001 20 0 "[ . 1 . 2]" 1
974 1 34 LEU MD2 1 35 SER H . . 3.800 2.968 2.511 3.532 . 0 0 "[ . 1 . 2]" 1
975 1 34 LEU MD2 1 36 ARG H . . 4.640 4.242 3.868 4.536 . 0 0 "[ . 1 . 2]" 1
976 1 34 LEU MD2 1 39 PHE QB . . 4.920 4.447 4.037 4.911 . 0 0 "[ . 1 . 2]" 1
977 1 34 LEU MD2 1 39 PHE QD . . 4.880 4.321 3.887 4.885 0.005 4 0 "[ . 1 . 2]" 1
978 1 34 LEU MD2 1 65 HIS HD2 . . 4.710 4.419 3.982 4.713 0.003 14 0 "[ . 1 . 2]" 1
979 1 34 LEU MD2 1 84 THR HB . . 4.290 3.354 2.404 4.253 . 0 0 "[ . 1 . 2]" 1
980 1 34 LEU MD2 1 84 THR MG . . 3.050 2.379 1.864 3.039 . 0 0 "[ . 1 . 2]" 1
981 1 34 LEU HG 1 65 HIS HD2 . . 3.720 3.084 2.480 3.390 . 0 0 "[ . 1 . 2]" 1
982 1 35 SER H 1 35 SER HB2 . . 3.920 2.979 2.320 3.769 . 0 0 "[ . 1 . 2]" 1
983 1 35 SER H 1 35 SER QB . . 3.330 2.453 2.282 2.869 . 0 0 "[ . 1 . 2]" 1
984 1 35 SER H 1 35 SER HB3 . . 3.920 2.770 2.415 3.542 . 0 0 "[ . 1 . 2]" 1
985 1 35 SER H 1 36 ARG H . . 3.500 2.393 2.080 2.854 . 0 0 "[ . 1 . 2]" 1
986 1 35 SER HA 1 63 ARG QD . . 4.060 3.152 2.293 4.064 0.004 16 0 "[ . 1 . 2]" 1
987 1 35 SER QB 1 36 ARG H . . 4.050 3.563 2.726 4.035 . 0 0 "[ . 1 . 2]" 1
988 1 35 SER HB2 1 36 ARG H . . 4.730 4.271 3.591 4.586 . 0 0 "[ . 1 . 2]" 1
989 1 35 SER HB3 1 36 ARG H . . 4.730 3.863 2.779 4.477 . 0 0 "[ . 1 . 2]" 1
990 1 36 ARG H 1 36 ARG QB . . 3.410 2.655 2.404 3.124 . 0 0 "[ . 1 . 2]" 1
991 1 36 ARG H 1 36 ARG HG2 . . 4.530 3.748 2.039 4.382 . 0 0 "[ . 1 . 2]" 1
992 1 36 ARG H 1 36 ARG QG . . 3.740 3.198 1.966 3.681 . 0 0 "[ . 1 . 2]" 1
993 1 36 ARG H 1 36 ARG HG3 . . 4.530 3.603 2.577 4.208 . 0 0 "[ . 1 . 2]" 1
994 1 36 ARG H 1 37 VAL H . . 4.900 4.252 3.909 4.541 . 0 0 "[ . 1 . 2]" 1
995 1 36 ARG H 1 63 ARG QB . . 4.630 3.524 2.390 4.644 0.014 4 0 "[ . 1 . 2]" 1
996 1 36 ARG QB 1 36 ARG QD . . 3.300 2.196 1.990 2.456 . 0 0 "[ . 1 . 2]" 1
997 1 36 ARG QB 1 37 VAL H . . 3.720 3.141 2.779 3.527 . 0 0 "[ . 1 . 2]" 1
998 1 36 ARG QB 1 39 PHE QB . . 3.550 2.401 2.013 3.558 0.008 16 0 "[ . 1 . 2]" 1
999 1 36 ARG HB2 1 36 ARG HD2 . . 4.210 3.558 2.854 4.095 . 0 0 "[ . 1 . 2]" 1
1000 1 36 ARG HB2 1 36 ARG HD3 . . 4.210 3.044 2.487 4.210 . 0 0 "[ . 1 . 2]" 1
1001 1 36 ARG HB2 1 37 VAL H . . 4.560 4.178 2.889 4.502 . 0 0 "[ . 1 . 2]" 1
1002 1 36 ARG HB2 1 39 PHE QD . . 4.460 3.303 2.700 3.712 . 0 0 "[ . 1 . 2]" 1
1003 1 36 ARG HB3 1 36 ARG HD2 . . 4.210 3.257 2.143 3.684 . 0 0 "[ . 1 . 2]" 1
1004 1 36 ARG HB3 1 36 ARG HD3 . . 4.210 2.546 2.075 3.597 . 0 0 "[ . 1 . 2]" 1
1005 1 36 ARG HB3 1 37 VAL H . . 4.560 3.281 2.865 3.685 . 0 0 "[ . 1 . 2]" 1
1006 1 36 ARG HB3 1 39 PHE QD . . 4.460 2.889 2.153 4.211 . 0 0 "[ . 1 . 2]" 1
1007 1 36 ARG QD 1 39 PHE QD . . 4.250 3.024 2.393 4.223 . 0 0 "[ . 1 . 2]" 1
1008 1 36 ARG QD 1 39 PHE QE . . 4.970 2.973 1.925 4.417 . 0 0 "[ . 1 . 2]" 1
1009 1 36 ARG HG2 1 37 VAL H . . 5.370 4.279 3.938 5.078 . 0 0 "[ . 1 . 2]" 1
1010 1 36 ARG HG3 1 37 VAL H . . 5.370 5.187 4.667 5.375 0.005 4 0 "[ . 1 . 2]" 1
1011 1 37 VAL H 1 37 VAL HB . . 3.290 2.474 2.331 2.685 . 0 0 "[ . 1 . 2]" 1
1012 1 37 VAL H 1 37 VAL MG1 . . 3.930 3.514 2.475 3.785 . 0 0 "[ . 1 . 2]" 1
1013 1 37 VAL H 1 37 VAL QG . . 2.960 2.334 1.879 2.637 . 0 0 "[ . 1 . 2]" 1
1014 1 37 VAL H 1 37 VAL MG2 . . 3.930 2.604 1.884 3.773 . 0 0 "[ . 1 . 2]" 1
1015 1 37 VAL HA 1 37 VAL MG1 . . 3.410 2.554 2.278 3.151 . 0 0 "[ . 1 . 2]" 1
1016 1 37 VAL HA 1 37 VAL MG2 . . 3.410 2.324 1.984 2.536 . 0 0 "[ . 1 . 2]" 1
1017 1 37 VAL HA 1 38 ASP H . . 3.080 2.278 2.185 2.528 . 0 0 "[ . 1 . 2]" 1
1018 1 37 VAL HA 1 39 PHE H . . 4.870 3.671 3.286 3.994 . 0 0 "[ . 1 . 2]" 1
1019 1 37 VAL HA 1 63 ARG HA . . 3.410 3.173 2.721 3.418 0.008 14 0 "[ . 1 . 2]" 1
1020 1 37 VAL HA 1 63 ARG QB . . 4.720 3.178 1.989 4.278 . 0 0 "[ . 1 . 2]" 1
1021 1 37 VAL HA 1 63 ARG HG2 . . 4.440 3.084 2.443 3.800 . 0 0 "[ . 1 . 2]" 1
1022 1 37 VAL HA 1 63 ARG QG . . 3.750 2.516 1.936 3.230 . 0 0 "[ . 1 . 2]" 1
1023 1 37 VAL HA 1 63 ARG HG3 . . 4.440 3.132 2.003 4.401 . 0 0 "[ . 1 . 2]" 1
1024 1 37 VAL HB 1 38 ASP H . . 4.060 3.935 3.684 4.063 0.003 9 0 "[ . 1 . 2]" 1
1025 1 37 VAL HB 1 62 GLY QA . . 4.550 4.363 4.183 4.557 0.007 20 0 "[ . 1 . 2]" 1
1026 1 37 VAL QG 1 38 ASP H . . 3.560 2.022 1.800 2.222 . 0 0 "[ . 1 . 2]" 1
1027 1 37 VAL QG 1 38 ASP QB . . 3.550 2.614 2.221 3.357 . 0 0 "[ . 1 . 2]" 1
1028 1 37 VAL QG 1 39 PHE H . . 5.190 4.150 3.796 4.388 . 0 0 "[ . 1 . 2]" 1
1029 1 37 VAL QG 1 62 GLY H . . 4.460 3.819 3.599 4.006 . 0 0 "[ . 1 . 2]" 1
1030 1 37 VAL QG 1 62 GLY QA . . 2.920 1.855 1.732 1.990 . 0 0 "[ . 1 . 2]" 1
1031 1 37 VAL QG 1 63 ARG HA . . 4.550 3.848 3.422 4.129 . 0 0 "[ . 1 . 2]" 1
1032 1 37 VAL QG 1 63 ARG QB . . 3.890 2.958 2.199 3.560 . 0 0 "[ . 1 . 2]" 1
1033 1 37 VAL QG 1 63 ARG QD . . 4.150 2.798 1.953 3.722 . 0 0 "[ . 1 . 2]" 1
1034 1 37 VAL QG 1 63 ARG QG . . 3.300 1.970 1.784 2.241 . 0 0 "[ . 1 . 2]" 1
1035 1 37 VAL MG1 1 38 ASP H . . 4.180 2.175 1.887 2.952 . 0 0 "[ . 1 . 2]" 1
1036 1 37 VAL MG1 1 62 GLY HA2 . . 3.940 2.355 1.853 3.951 0.011 4 0 "[ . 1 . 2]" 1
1037 1 37 VAL MG1 1 62 GLY HA3 . . 3.940 2.766 2.000 3.979 0.039 10 0 "[ . 1 . 2]" 1
1038 1 37 VAL MG2 1 38 ASP H . . 4.180 3.478 1.848 4.064 . 0 0 "[ . 1 . 2]" 1
1039 1 37 VAL MG2 1 62 GLY HA2 . . 3.940 3.351 2.293 3.915 . 0 0 "[ . 1 . 2]" 1
1040 1 37 VAL MG2 1 62 GLY HA3 . . 3.940 2.970 1.801 3.742 . 0 0 "[ . 1 . 2]" 1
1041 1 38 ASP H 1 39 PHE H . . 4.090 2.816 2.650 2.991 . 0 0 "[ . 1 . 2]" 1
1042 1 38 ASP H 1 60 MET ME . . 3.960 3.637 3.047 3.964 0.004 7 0 "[ . 1 . 2]" 1
1043 1 38 ASP H 1 62 GLY HA2 . . 4.480 2.181 1.887 2.833 . 0 0 "[ . 1 . 2]" 1
1044 1 38 ASP H 1 62 GLY HA3 . . 4.480 3.568 2.714 4.461 . 0 0 "[ . 1 . 2]" 1
1045 1 38 ASP HA 1 60 MET ME . . 2.890 2.151 1.890 2.512 . 0 0 "[ . 1 . 2]" 1
1046 1 38 ASP HA 1 60 MET QG . . 4.660 4.218 3.607 4.668 0.008 10 0 "[ . 1 . 2]" 1
1047 1 38 ASP QB 1 60 MET ME . . 4.140 3.546 2.675 4.144 0.004 5 0 "[ . 1 . 2]" 1
1048 1 38 ASP HB2 1 60 MET ME . . 4.990 4.199 2.847 4.849 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ASP HB3 1 60 MET ME . . 4.990 3.976 3.227 4.901 . 0 0 "[ . 1 . 2]" 1
1050 1 39 PHE H 1 39 PHE HB2 . . 3.760 2.572 2.304 2.805 . 0 0 "[ . 1 . 2]" 1
1051 1 39 PHE H 1 39 PHE HB3 . . 3.760 2.834 2.732 2.958 . 0 0 "[ . 1 . 2]" 1
1052 1 39 PHE H 1 39 PHE QD . . 4.980 4.216 4.016 4.343 . 0 0 "[ . 1 . 2]" 1
1053 1 39 PHE H 1 60 MET ME . . 4.480 3.657 2.859 4.276 . 0 0 "[ . 1 . 2]" 1
1054 1 39 PHE HA 1 39 PHE QD . . 3.950 2.628 2.064 2.971 . 0 0 "[ . 1 . 2]" 1
1055 1 39 PHE QB 1 40 PRO QD . . 3.930 3.228 3.184 3.459 . 0 0 "[ . 1 . 2]" 1
1056 1 39 PHE HB2 1 40 PRO HD2 . . 5.230 3.894 3.807 4.158 . 0 0 "[ . 1 . 2]" 1
1057 1 39 PHE HB2 1 40 PRO HD3 . . 5.230 4.761 4.693 4.915 . 0 0 "[ . 1 . 2]" 1
1058 1 39 PHE HB3 1 40 PRO HD2 . . 5.230 3.662 3.564 3.998 . 0 0 "[ . 1 . 2]" 1
1059 1 39 PHE HB3 1 40 PRO HD3 . . 5.230 4.690 4.622 4.874 . 0 0 "[ . 1 . 2]" 1
1060 1 39 PHE QD 1 40 PRO HD2 . . 4.390 2.753 2.504 2.912 . 0 0 "[ . 1 . 2]" 1
1061 1 39 PHE QD 1 40 PRO QD . . 3.850 2.691 2.454 2.847 . 0 0 "[ . 1 . 2]" 1
1062 1 39 PHE QD 1 40 PRO HD3 . . 4.390 3.801 3.470 4.021 . 0 0 "[ . 1 . 2]" 1
1063 1 39 PHE QD 1 84 THR HG1 . . 4.380 2.803 2.003 3.414 . 0 0 "[ . 1 . 2]" 1
1064 1 39 PHE QD 1 85 GLU H . . 4.800 4.164 3.479 4.814 0.014 14 0 "[ . 1 . 2]" 1
1065 1 39 PHE QE 1 40 PRO HD2 . . 5.020 3.428 3.354 3.524 . 0 0 "[ . 1 . 2]" 1
1066 1 39 PHE QE 1 40 PRO HD3 . . 5.020 4.697 4.457 4.874 . 0 0 "[ . 1 . 2]" 1
1067 1 39 PHE QE 1 84 THR HB . . 5.340 4.483 3.898 4.806 . 0 0 "[ . 1 . 2]" 1
1068 1 39 PHE QE 1 84 THR HG1 . . 4.530 2.255 1.988 2.666 . 0 0 "[ . 1 . 2]" 1
1069 1 39 PHE QE 1 84 THR MG . . 4.270 3.753 2.839 4.213 . 0 0 "[ . 1 . 2]" 1
1070 1 39 PHE QE 1 85 GLU H . . 3.630 2.738 1.957 3.546 . 0 0 "[ . 1 . 2]" 1
1071 1 39 PHE QE 1 85 GLU HB2 . . 4.460 2.398 1.990 3.292 . 0 0 "[ . 1 . 2]" 1
1072 1 39 PHE QE 1 85 GLU QB . . 3.870 2.063 1.922 2.420 . 0 0 "[ . 1 . 2]" 1
1073 1 39 PHE QE 1 85 GLU HB3 . . 4.460 2.898 1.998 4.026 . 0 0 "[ . 1 . 2]" 1
1074 1 39 PHE QE 1 85 GLU QG . . 4.990 3.553 1.909 4.053 . 0 0 "[ . 1 . 2]" 1
1075 1 39 PHE HZ 1 85 GLU H . . 5.210 4.586 3.815 5.273 0.063 16 0 "[ . 1 . 2]" 1
1076 1 39 PHE HZ 1 85 GLU HB2 . . 4.670 2.771 2.006 3.479 . 0 0 "[ . 1 . 2]" 1
1077 1 39 PHE HZ 1 85 GLU HB3 . . 4.670 2.906 2.012 3.998 . 0 0 "[ . 1 . 2]" 1
1078 1 39 PHE HZ 1 85 GLU QG . . 4.040 2.970 1.974 3.924 . 0 0 "[ . 1 . 2]" 1
1079 1 40 PRO HA 1 41 ALA H . . 2.610 2.268 2.198 2.401 . 0 0 "[ . 1 . 2]" 1
1080 1 40 PRO HA 1 41 ALA MB . . 4.340 3.886 3.827 3.927 . 0 0 "[ . 1 . 2]" 1
1081 1 40 PRO HA 1 65 HIS HE1 . . 4.570 3.969 3.532 4.533 . 0 0 "[ . 1 . 2]" 1
1082 1 40 PRO QB 1 41 ALA H . . 3.370 2.871 2.535 3.077 . 0 0 "[ . 1 . 2]" 1
1083 1 40 PRO HB2 1 41 ALA H . . 3.960 3.001 2.609 3.247 . 0 0 "[ . 1 . 2]" 1
1084 1 40 PRO HB3 1 41 ALA H . . 3.960 3.669 3.451 3.814 . 0 0 "[ . 1 . 2]" 1
1085 1 40 PRO QG 1 41 ALA H . . 4.700 4.403 4.164 4.537 . 0 0 "[ . 1 . 2]" 1
1086 1 40 PRO HG2 1 41 ALA H . . 5.500 4.684 4.420 4.830 . 0 0 "[ . 1 . 2]" 1
1087 1 40 PRO HG3 1 41 ALA H . . 5.500 5.351 5.086 5.505 0.005 20 0 "[ . 1 . 2]" 1
1088 1 41 ALA H 1 41 ALA MB . . 3.260 2.820 2.744 2.889 . 0 0 "[ . 1 . 2]" 1
1089 1 41 ALA HA 1 42 THR H . . 2.820 2.443 2.273 2.617 . 0 0 "[ . 1 . 2]" 1
1090 1 41 ALA HA 1 84 THR HA . . 3.490 2.573 1.979 3.256 . 0 0 "[ . 1 . 2]" 1
1091 1 41 ALA HA 1 84 THR HB . . 4.710 3.725 2.630 4.277 . 0 0 "[ . 1 . 2]" 1
1092 1 41 ALA MB 1 42 THR H . . 3.080 2.336 1.996 2.695 . 0 0 "[ . 1 . 2]" 1
1093 1 41 ALA MB 1 43 TRP HD1 . . 5.030 4.721 4.342 5.027 . 0 0 "[ . 1 . 2]" 1
1094 1 41 ALA MB 1 43 TRP HE1 . . 5.020 4.579 4.122 4.933 . 0 0 "[ . 1 . 2]" 1
1095 1 41 ALA MB 1 65 HIS QB . . 4.690 3.784 3.617 4.118 . 0 0 "[ . 1 . 2]" 1
1096 1 41 ALA MB 1 65 HIS HD2 . . 5.260 4.578 4.115 5.126 . 0 0 "[ . 1 . 2]" 1
1097 1 41 ALA MB 1 65 HIS HE1 . . 4.040 3.095 2.519 3.800 . 0 0 "[ . 1 . 2]" 1
1098 1 41 ALA MB 1 82 CYS HA . . 4.750 4.219 3.851 4.570 . 0 0 "[ . 1 . 2]" 1
1099 1 41 ALA MB 1 82 CYS HG . . 3.610 2.431 1.971 3.498 . 0 0 "[ . 1 . 2]" 1
1100 1 41 ALA MB 1 83 ARG H . . 4.560 4.477 4.174 4.595 0.035 16 0 "[ . 1 . 2]" 1
1101 1 41 ALA MB 1 84 THR HA . . 3.920 3.024 2.065 3.725 . 0 0 "[ . 1 . 2]" 1
1102 1 41 ALA MB 1 84 THR HB . . 3.260 2.590 2.017 3.194 . 0 0 "[ . 1 . 2]" 1
1103 1 41 ALA MB 1 84 THR HG1 . . 4.660 4.321 3.493 4.668 0.008 3 0 "[ . 1 . 2]" 1
1104 1 42 THR H 1 42 THR HB . . 3.250 2.874 2.706 3.023 . 0 0 "[ . 1 . 2]" 1
1105 1 42 THR H 1 42 THR MG . . 4.030 3.938 3.875 4.008 . 0 0 "[ . 1 . 2]" 1
1106 1 42 THR H 1 43 TRP H . . 4.490 4.269 3.995 4.406 . 0 0 "[ . 1 . 2]" 1
1107 1 42 THR H 1 44 TYR QE . . 4.560 4.169 3.618 4.486 . 0 0 "[ . 1 . 2]" 1
1108 1 42 THR H 1 82 CYS HA . . 4.700 4.234 3.747 4.508 . 0 0 "[ . 1 . 2]" 1
1109 1 42 THR H 1 83 ARG H . . 3.790 3.651 3.249 3.798 0.008 16 0 "[ . 1 . 2]" 1
1110 1 42 THR H 1 83 ARG QB . . 4.300 3.425 2.730 4.126 . 0 0 "[ . 1 . 2]" 1
1111 1 42 THR H 1 83 ARG QG . . 5.500 4.818 4.268 5.441 . 0 0 "[ . 1 . 2]" 1
1112 1 42 THR H 1 84 THR HA . . 4.330 3.781 3.018 4.297 . 0 0 "[ . 1 . 2]" 1
1113 1 42 THR HA 1 42 THR MG . . 3.200 2.347 2.204 2.466 . 0 0 "[ . 1 . 2]" 1
1114 1 42 THR HA 1 43 TRP H . . 2.760 2.193 2.142 2.341 . 0 0 "[ . 1 . 2]" 1
1115 1 42 THR HA 1 43 TRP HD1 . . 4.480 3.693 3.211 4.071 . 0 0 "[ . 1 . 2]" 1
1116 1 42 THR HB 1 43 TRP H . . 4.400 4.047 3.582 4.350 . 0 0 "[ . 1 . 2]" 1
1117 1 42 THR HB 1 44 TYR QD . . 4.310 3.876 3.462 4.134 . 0 0 "[ . 1 . 2]" 1
1118 1 42 THR HB 1 44 TYR QE . . 3.190 2.191 1.991 2.625 . 0 0 "[ . 1 . 2]" 1
1119 1 42 THR HB 1 83 ARG H . . 4.690 4.378 3.864 4.696 0.006 8 0 "[ . 1 . 2]" 1
1120 1 42 THR HB 1 83 ARG QB . . 4.280 3.114 2.477 4.087 . 0 0 "[ . 1 . 2]" 1
1121 1 42 THR HB 1 83 ARG QG . . 5.500 4.781 4.120 5.505 0.005 16 0 "[ . 1 . 2]" 1
1122 1 42 THR MG 1 43 TRP H . . 3.310 2.242 1.890 2.787 . 0 0 "[ . 1 . 2]" 1
1123 1 42 THR MG 1 43 TRP HA . . 4.800 3.947 3.674 4.213 . 0 0 "[ . 1 . 2]" 1
1124 1 42 THR MG 1 43 TRP HB2 . . 4.220 3.942 3.685 4.222 0.002 8 0 "[ . 1 . 2]" 1
1125 1 42 THR MG 1 43 TRP HD1 . . 5.150 4.573 4.029 4.908 . 0 0 "[ . 1 . 2]" 1
1126 1 42 THR MG 1 44 TYR QD . . 4.170 3.469 3.244 3.785 . 0 0 "[ . 1 . 2]" 1
1127 1 42 THR MG 1 44 TYR QE . . 3.460 2.686 2.251 3.048 . 0 0 "[ . 1 . 2]" 1
1128 1 42 THR MG 1 49 LYS HA . . 4.370 3.707 3.504 4.030 . 0 0 "[ . 1 . 2]" 1
1129 1 42 THR MG 1 50 VAL H . . 4.410 3.693 3.455 4.108 . 0 0 "[ . 1 . 2]" 1
1130 1 43 TRP H 1 43 TRP HB2 . . 3.320 2.353 2.298 2.417 . 0 0 "[ . 1 . 2]" 1
1131 1 43 TRP H 1 43 TRP HB3 . . 3.660 3.597 3.563 3.631 . 0 0 "[ . 1 . 2]" 1
1132 1 43 TRP H 1 43 TRP HD1 . . 3.610 2.729 2.450 3.071 . 0 0 "[ . 1 . 2]" 1
1133 1 43 TRP H 1 43 TRP HE1 . . 5.500 5.086 4.816 5.488 . 0 0 "[ . 1 . 2]" 1
1134 1 43 TRP H 1 50 VAL MG1 . . 5.420 4.500 4.133 4.924 . 0 0 "[ . 1 . 2]" 1
1135 1 43 TRP H 1 50 VAL MG2 . . 4.040 3.138 2.740 3.359 . 0 0 "[ . 1 . 2]" 1
1136 1 43 TRP H 1 58 VAL QG . . 5.440 4.030 3.398 4.260 . 0 0 "[ . 1 . 2]" 1
1137 1 43 TRP HA 1 43 TRP HD1 . . 4.790 3.961 3.821 4.069 . 0 0 "[ . 1 . 2]" 1
1138 1 43 TRP HA 1 43 TRP HE3 . . 4.180 3.355 3.125 3.660 . 0 0 "[ . 1 . 2]" 1
1139 1 43 TRP HA 1 44 TYR H . . 2.860 2.207 2.145 2.338 . 0 0 "[ . 1 . 2]" 1
1140 1 43 TRP HA 1 44 TYR HA . . 5.020 4.420 4.391 4.493 . 0 0 "[ . 1 . 2]" 1
1141 1 43 TRP HA 1 44 TYR QD . . 4.100 3.652 3.100 4.095 . 0 0 "[ . 1 . 2]" 1
1142 1 43 TRP HA 1 50 VAL MG1 . . 4.660 4.231 3.968 4.577 . 0 0 "[ . 1 . 2]" 1
1143 1 43 TRP HA 1 50 VAL MG2 . . 4.510 4.094 3.948 4.375 . 0 0 "[ . 1 . 2]" 1
1144 1 43 TRP HA 1 67 LEU QD . . 4.970 4.560 4.320 4.882 . 0 0 "[ . 1 . 2]" 1
1145 1 43 TRP HA 1 81 GLU HB3 . . 5.500 4.997 4.694 5.337 . 0 0 "[ . 1 . 2]" 1
1146 1 43 TRP HA 1 82 CYS HA . . 3.420 2.533 2.324 2.698 . 0 0 "[ . 1 . 2]" 1
1147 1 43 TRP HA 1 82 CYS HB3 . . 5.500 5.383 4.996 5.501 0.001 8 0 "[ . 1 . 2]" 1
1148 1 43 TRP HA 1 83 ARG H . . 4.000 3.492 3.130 3.811 . 0 0 "[ . 1 . 2]" 1
1149 1 43 TRP HB2 1 44 TYR H . . 4.660 4.152 3.843 4.343 . 0 0 "[ . 1 . 2]" 1
1150 1 43 TRP HB2 1 50 VAL H . . 4.680 4.478 4.087 4.667 . 0 0 "[ . 1 . 2]" 1
1151 1 43 TRP HB2 1 50 VAL MG1 . . 3.690 3.082 2.639 3.459 . 0 0 "[ . 1 . 2]" 1
1152 1 43 TRP HB2 1 50 VAL MG2 . . 3.130 1.968 1.904 2.075 . 0 0 "[ . 1 . 2]" 1
1153 1 43 TRP HB2 1 58 VAL MG1 . . 4.530 4.172 3.649 4.510 . 0 0 "[ . 1 . 2]" 1
1154 1 43 TRP HB2 1 58 VAL QG . . 3.900 3.374 3.019 3.624 . 0 0 "[ . 1 . 2]" 1
1155 1 43 TRP HB2 1 58 VAL MG2 . . 4.530 3.570 3.133 3.846 . 0 0 "[ . 1 . 2]" 1
1156 1 43 TRP HB2 1 67 LEU QD . . 3.630 2.928 2.604 3.137 . 0 0 "[ . 1 . 2]" 1
1157 1 43 TRP HB3 1 43 TRP HE3 . . 4.030 2.532 2.444 2.612 . 0 0 "[ . 1 . 2]" 1
1158 1 43 TRP HB3 1 44 TYR H . . 3.910 3.056 2.595 3.394 . 0 0 "[ . 1 . 2]" 1
1159 1 43 TRP HB3 1 50 VAL MG1 . . 3.740 2.640 2.297 2.915 . 0 0 "[ . 1 . 2]" 1
1160 1 43 TRP HB3 1 50 VAL MG2 . . 3.480 2.709 2.387 3.128 . 0 0 "[ . 1 . 2]" 1
1161 1 43 TRP HB3 1 67 LEU QD . . 3.500 2.665 2.411 3.012 . 0 0 "[ . 1 . 2]" 1
1162 1 43 TRP HD1 1 50 VAL MG2 . . 4.460 3.985 3.788 4.232 . 0 0 "[ . 1 . 2]" 1
1163 1 43 TRP HD1 1 58 VAL HB . . 4.990 4.871 4.420 4.996 0.006 11 0 "[ . 1 . 2]" 1
1164 1 43 TRP HD1 1 58 VAL MG1 . . 3.660 2.398 1.984 3.435 . 0 0 "[ . 1 . 2]" 1
1165 1 43 TRP HD1 1 58 VAL QG . . 2.950 2.278 1.948 2.483 . 0 0 "[ . 1 . 2]" 1
1166 1 43 TRP HD1 1 58 VAL MG2 . . 3.660 3.046 2.547 3.433 . 0 0 "[ . 1 . 2]" 1
1167 1 43 TRP HD1 1 67 LEU QD . . 4.080 3.763 2.998 4.070 . 0 0 "[ . 1 . 2]" 1
1168 1 43 TRP HE1 1 58 VAL HB . . 5.500 5.410 4.944 5.501 0.001 1 0 "[ . 1 . 2]" 1
1169 1 43 TRP HE1 1 58 VAL MG1 . . 4.810 2.568 2.344 3.937 . 0 0 "[ . 1 . 2]" 1
1170 1 43 TRP HE1 1 58 VAL QG . . 3.530 2.461 2.225 2.581 . 0 0 "[ . 1 . 2]" 1
1171 1 43 TRP HE1 1 58 VAL MG2 . . 4.810 3.955 2.237 4.557 . 0 0 "[ . 1 . 2]" 1
1172 1 43 TRP HE1 1 59 LYS H . . 5.320 5.018 4.444 5.315 . 0 0 "[ . 1 . 2]" 1
1173 1 43 TRP HE1 1 65 HIS HA . . 5.130 4.475 4.083 5.048 . 0 0 "[ . 1 . 2]" 1
1174 1 43 TRP HE1 1 65 HIS QB . . 3.580 2.656 2.175 2.988 . 0 0 "[ . 1 . 2]" 1
1175 1 43 TRP HE1 1 66 ARG H . . 4.870 4.123 3.654 4.824 . 0 0 "[ . 1 . 2]" 1
1176 1 43 TRP HE1 1 67 LEU HB2 . . 5.350 4.256 3.746 4.938 . 0 0 "[ . 1 . 2]" 1
1177 1 43 TRP HE1 1 82 CYS HG . . 4.580 3.994 3.346 4.454 . 0 0 "[ . 1 . 2]" 1
1178 1 43 TRP HE3 1 44 TYR H . . 4.340 3.549 3.175 3.926 . 0 0 "[ . 1 . 2]" 1
1179 1 43 TRP HE3 1 50 VAL MG1 . . 4.530 4.337 4.056 4.530 . 0 0 "[ . 1 . 2]" 1
1180 1 43 TRP HE3 1 67 LEU QD . . 3.710 3.082 2.731 3.707 . 0 0 "[ . 1 . 2]" 1
1181 1 43 TRP HE3 1 67 LEU HG . . 5.500 5.227 4.030 5.512 0.012 3 0 "[ . 1 . 2]" 1
1182 1 43 TRP HE3 1 80 PHE HB3 . . 4.240 2.483 2.165 3.075 . 0 0 "[ . 1 . 2]" 1
1183 1 43 TRP HE3 1 80 PHE QD . . 4.720 2.454 2.050 2.737 . 0 0 "[ . 1 . 2]" 1
1184 1 43 TRP HE3 1 81 GLU H . . 4.710 3.417 2.773 3.939 . 0 0 "[ . 1 . 2]" 1
1185 1 43 TRP HE3 1 82 CYS HA . . 4.690 4.182 3.854 4.526 . 0 0 "[ . 1 . 2]" 1
1186 1 43 TRP HH2 1 66 ARG HA . . 5.180 3.072 2.551 3.745 . 0 0 "[ . 1 . 2]" 1
1187 1 43 TRP HH2 1 67 LEU H . . 4.630 3.514 3.113 3.808 . 0 0 "[ . 1 . 2]" 1
1188 1 43 TRP HH2 1 67 LEU QD . . 5.440 4.733 4.326 5.011 . 0 0 "[ . 1 . 2]" 1
1189 1 43 TRP HH2 1 82 CYS HB2 . . 4.770 3.833 3.431 4.228 . 0 0 "[ . 1 . 2]" 1
1190 1 43 TRP HH2 1 82 CYS HB3 . . 5.500 5.058 4.714 5.309 . 0 0 "[ . 1 . 2]" 1
1191 1 43 TRP HH2 1 91 PHE QD . . 4.980 4.215 3.963 4.562 . 0 0 "[ . 1 . 2]" 1
1192 1 43 TRP HH2 1 91 PHE QE . . 4.110 3.494 3.020 3.913 . 0 0 "[ . 1 . 2]" 1
1193 1 43 TRP HH2 1 91 PHE HZ . . 4.900 4.250 3.681 4.596 . 0 0 "[ . 1 . 2]" 1
1194 1 43 TRP HZ2 1 65 HIS H . . 5.250 4.908 4.544 5.179 . 0 0 "[ . 1 . 2]" 1
1195 1 43 TRP HZ2 1 65 HIS HA . . 5.280 4.174 3.719 4.615 . 0 0 "[ . 1 . 2]" 1
1196 1 43 TRP HZ2 1 65 HIS HB2 . . 4.230 3.395 2.887 3.866 . 0 0 "[ . 1 . 2]" 1
1197 1 43 TRP HZ2 1 65 HIS QB . . 3.600 2.720 2.159 3.242 . 0 0 "[ . 1 . 2]" 1
1198 1 43 TRP HZ2 1 65 HIS HB3 . . 4.230 2.882 2.229 3.482 . 0 0 "[ . 1 . 2]" 1
1199 1 43 TRP HZ2 1 66 ARG H . . 4.530 3.453 2.850 4.188 . 0 0 "[ . 1 . 2]" 1
1200 1 43 TRP HZ2 1 66 ARG HA . . 3.900 2.469 2.061 2.855 . 0 0 "[ . 1 . 2]" 1
1201 1 43 TRP HZ2 1 67 LEU H . . 4.150 3.568 3.039 4.033 . 0 0 "[ . 1 . 2]" 1
1202 1 43 TRP HZ2 1 67 LEU HB2 . . 5.400 3.707 3.363 4.051 . 0 0 "[ . 1 . 2]" 1
1203 1 43 TRP HZ2 1 82 CYS HB2 . . 4.940 4.067 3.610 4.565 . 0 0 "[ . 1 . 2]" 1
1204 1 43 TRP HZ2 1 82 CYS HB3 . . 5.500 5.370 5.107 5.506 0.006 17 0 "[ . 1 . 2]" 1
1205 1 43 TRP HZ2 1 82 CYS HG . . 5.070 4.654 3.934 5.009 . 0 0 "[ . 1 . 2]" 1
1206 1 43 TRP HZ3 1 80 PHE HB2 . . 5.060 3.451 2.924 4.033 . 0 0 "[ . 1 . 2]" 1
1207 1 43 TRP HZ3 1 80 PHE HB3 . . 4.830 2.563 2.174 2.958 . 0 0 "[ . 1 . 2]" 1
1208 1 43 TRP HZ3 1 82 CYS HB2 . . 4.930 3.827 3.145 4.405 . 0 0 "[ . 1 . 2]" 1
1209 1 43 TRP HZ3 1 82 CYS HB3 . . 5.500 5.175 4.741 5.491 . 0 0 "[ . 1 . 2]" 1
1210 1 43 TRP HZ3 1 91 PHE QD . . 4.200 2.875 2.282 3.370 . 0 0 "[ . 1 . 2]" 1
1211 1 43 TRP HZ3 1 91 PHE QE . . 4.290 3.476 2.767 3.924 . 0 0 "[ . 1 . 2]" 1
1212 1 44 TYR H 1 44 TYR HB2 . . 3.940 2.645 2.476 2.883 . 0 0 "[ . 1 . 2]" 1
1213 1 44 TYR H 1 44 TYR HB3 . . 4.080 3.777 3.677 3.915 . 0 0 "[ . 1 . 2]" 1
1214 1 44 TYR H 1 44 TYR QD . . 3.620 3.171 2.865 3.402 . 0 0 "[ . 1 . 2]" 1
1215 1 44 TYR H 1 44 TYR QE . . 5.310 5.171 5.011 5.312 0.002 1 0 "[ . 1 . 2]" 1
1216 1 44 TYR H 1 49 LYS HA . . 5.500 5.316 4.830 5.501 0.001 13 0 "[ . 1 . 2]" 1
1217 1 44 TYR H 1 50 VAL MG1 . . 4.340 3.604 2.949 4.165 . 0 0 "[ . 1 . 2]" 1
1218 1 44 TYR H 1 50 VAL MG2 . . 4.760 4.405 4.040 4.732 . 0 0 "[ . 1 . 2]" 1
1219 1 44 TYR H 1 81 GLU HB2 . . 5.300 4.792 4.446 5.086 . 0 0 "[ . 1 . 2]" 1
1220 1 44 TYR H 1 81 GLU HB3 . . 4.280 3.389 2.931 3.706 . 0 0 "[ . 1 . 2]" 1
1221 1 44 TYR H 1 82 CYS H . . 5.310 4.913 4.719 5.026 . 0 0 "[ . 1 . 2]" 1
1222 1 44 TYR H 1 82 CYS HA . . 4.250 3.753 3.458 3.975 . 0 0 "[ . 1 . 2]" 1
1223 1 44 TYR H 1 83 ARG H . . 4.800 4.084 3.637 4.640 . 0 0 "[ . 1 . 2]" 1
1224 1 44 TYR HA 1 45 LYS H . . 2.840 2.223 2.158 2.342 . 0 0 "[ . 1 . 2]" 1
1225 1 44 TYR HA 1 49 LYS HA . . 3.060 2.708 2.231 2.901 . 0 0 "[ . 1 . 2]" 1
1226 1 44 TYR HA 1 50 VAL H . . 3.340 2.959 2.572 3.284 . 0 0 "[ . 1 . 2]" 1
1227 1 44 TYR HA 1 50 VAL MG1 . . 3.430 2.391 1.978 2.894 . 0 0 "[ . 1 . 2]" 1
1228 1 44 TYR HA 1 50 VAL MG2 . . 4.350 3.805 3.402 4.126 . 0 0 "[ . 1 . 2]" 1
1229 1 44 TYR HB2 1 45 LYS H . . 4.220 4.070 3.801 4.221 0.001 12 0 "[ . 1 . 2]" 1
1230 1 44 TYR HB2 1 47 GLY H . . 5.130 4.776 4.595 5.021 . 0 0 "[ . 1 . 2]" 1
1231 1 44 TYR HB2 1 48 GLN H . . 4.860 4.731 4.272 4.869 0.009 8 0 "[ . 1 . 2]" 1
1232 1 44 TYR HB2 1 81 GLU H . . 4.280 3.690 3.386 4.050 . 0 0 "[ . 1 . 2]" 1
1233 1 44 TYR HB2 1 81 GLU HB2 . . 4.360 4.034 3.639 4.299 . 0 0 "[ . 1 . 2]" 1
1234 1 44 TYR HB2 1 81 GLU HB3 . . 3.800 2.386 2.086 2.556 . 0 0 "[ . 1 . 2]" 1
1235 1 44 TYR HB3 1 45 LYS H . . 3.470 2.957 2.577 3.230 . 0 0 "[ . 1 . 2]" 1
1236 1 44 TYR HB3 1 47 GLY H . . 3.860 3.729 3.516 3.863 0.003 11 0 "[ . 1 . 2]" 1
1237 1 44 TYR HB3 1 47 GLY HA2 . . 4.630 3.540 3.355 3.683 . 0 0 "[ . 1 . 2]" 1
1238 1 44 TYR HB3 1 47 GLY HA3 . . 5.500 5.134 4.966 5.291 . 0 0 "[ . 1 . 2]" 1
1239 1 44 TYR HB3 1 48 GLN H . . 3.450 3.079 2.748 3.189 . 0 0 "[ . 1 . 2]" 1
1240 1 44 TYR HB3 1 49 LYS H . . 5.500 4.871 4.449 5.219 . 0 0 "[ . 1 . 2]" 1
1241 1 44 TYR HB3 1 49 LYS HA . . 4.660 3.963 3.683 4.246 . 0 0 "[ . 1 . 2]" 1
1242 1 44 TYR HB3 1 81 GLU HB2 . . 5.500 5.159 4.582 5.490 . 0 0 "[ . 1 . 2]" 1
1243 1 44 TYR HB3 1 81 GLU HB3 . . 4.020 3.767 3.512 3.972 . 0 0 "[ . 1 . 2]" 1
1244 1 44 TYR QD 1 45 LYS H . . 4.280 3.738 3.561 4.086 . 0 0 "[ . 1 . 2]" 1
1245 1 44 TYR QD 1 47 GLY H . . 5.500 5.292 4.963 5.505 0.005 20 0 "[ . 1 . 2]" 1
1246 1 44 TYR QD 1 47 GLY HA2 . . 4.940 4.573 4.200 4.928 . 0 0 "[ . 1 . 2]" 1
1247 1 44 TYR QD 1 48 GLN H . . 3.870 3.696 3.446 3.872 0.002 16 0 "[ . 1 . 2]" 1
1248 1 44 TYR QD 1 48 GLN HA . . 4.010 3.519 3.099 3.831 . 0 0 "[ . 1 . 2]" 1
1249 1 44 TYR QD 1 49 LYS H . . 3.940 2.844 2.362 3.268 . 0 0 "[ . 1 . 2]" 1
1250 1 44 TYR QD 1 49 LYS HA . . 3.930 2.185 1.995 2.629 . 0 0 "[ . 1 . 2]" 1
1251 1 44 TYR QD 1 49 LYS HB2 . . 5.180 3.244 3.095 3.445 . 0 0 "[ . 1 . 2]" 1
1252 1 44 TYR QD 1 49 LYS HB3 . . 5.180 4.347 4.011 4.543 . 0 0 "[ . 1 . 2]" 1
1253 1 44 TYR QD 1 50 VAL H . . 5.300 4.078 3.797 4.460 . 0 0 "[ . 1 . 2]" 1
1254 1 44 TYR QD 1 81 GLU HB2 . . 5.500 5.382 5.075 5.506 0.006 4 0 "[ . 1 . 2]" 1
1255 1 44 TYR QD 1 81 GLU HB3 . . 4.700 3.794 3.497 3.971 . 0 0 "[ . 1 . 2]" 1
1256 1 44 TYR QD 1 83 ARG H . . 4.560 2.731 2.469 3.125 . 0 0 "[ . 1 . 2]" 1
1257 1 44 TYR QD 1 83 ARG HB2 . . 4.340 2.754 1.998 3.658 . 0 0 "[ . 1 . 2]" 1
1258 1 44 TYR QD 1 83 ARG HB3 . . 4.340 3.182 2.562 4.272 . 0 0 "[ . 1 . 2]" 1
1259 1 44 TYR QE 1 48 GLN HA . . 5.100 4.781 4.330 5.090 . 0 0 "[ . 1 . 2]" 1
1260 1 44 TYR QE 1 49 LYS H . . 4.010 3.417 2.843 4.013 0.003 20 0 "[ . 1 . 2]" 1
1261 1 44 TYR QE 1 49 LYS HA . . 4.580 3.009 2.767 3.502 . 0 0 "[ . 1 . 2]" 1
1262 1 44 TYR QE 1 49 LYS QB . . 3.920 2.142 1.990 2.474 . 0 0 "[ . 1 . 2]" 1
1263 1 44 TYR QE 1 49 LYS HG2 . . 4.840 4.395 3.727 4.800 . 0 0 "[ . 1 . 2]" 1
1264 1 44 TYR QE 1 49 LYS HG3 . . 4.840 3.197 2.347 4.268 . 0 0 "[ . 1 . 2]" 1
1265 1 44 TYR QE 1 83 ARG H . . 4.780 3.758 3.173 4.131 . 0 0 "[ . 1 . 2]" 1
1266 1 44 TYR QE 1 83 ARG HB2 . . 4.190 2.981 2.068 4.064 . 0 0 "[ . 1 . 2]" 1
1267 1 44 TYR QE 1 83 ARG QB . . 3.510 2.162 1.855 2.504 . 0 0 "[ . 1 . 2]" 1
1268 1 44 TYR QE 1 83 ARG HB3 . . 4.190 2.332 1.999 3.266 . 0 0 "[ . 1 . 2]" 1
1269 1 44 TYR QE 1 83 ARG HD2 . . 4.150 3.362 2.269 4.134 . 0 0 "[ . 1 . 2]" 1
1270 1 44 TYR QE 1 83 ARG QD . . 3.560 2.758 2.248 3.562 0.002 1 0 "[ . 1 . 2]" 1
1271 1 44 TYR QE 1 83 ARG HD3 . . 4.150 3.379 2.478 4.130 . 0 0 "[ . 1 . 2]" 1
1272 1 44 TYR QE 1 83 ARG QG . . 4.790 3.719 2.393 4.518 . 0 0 "[ . 1 . 2]" 1
1273 1 45 LYS H 1 45 LYS HB2 . . 3.640 2.973 2.822 3.103 . 0 0 "[ . 1 . 2]" 1
1274 1 45 LYS H 1 45 LYS QB . . 3.140 2.548 2.466 2.620 . 0 0 "[ . 1 . 2]" 1
1275 1 45 LYS H 1 45 LYS HB3 . . 3.640 2.776 2.638 2.932 . 0 0 "[ . 1 . 2]" 1
1276 1 45 LYS H 1 45 LYS HG2 . . 4.710 4.535 4.449 4.690 . 0 0 "[ . 1 . 2]" 1
1277 1 45 LYS H 1 45 LYS HG3 . . 5.020 4.753 4.632 4.869 . 0 0 "[ . 1 . 2]" 1
1278 1 45 LYS H 1 46 ASP H . . 5.080 4.341 4.267 4.411 . 0 0 "[ . 1 . 2]" 1
1279 1 45 LYS H 1 47 GLY H . . 4.580 4.032 3.507 4.413 . 0 0 "[ . 1 . 2]" 1
1280 1 45 LYS H 1 48 GLN H . . 3.170 2.648 2.234 2.963 . 0 0 "[ . 1 . 2]" 1
1281 1 45 LYS H 1 48 GLN QB . . 4.110 3.747 3.297 4.171 0.061 18 0 "[ . 1 . 2]" 1
1282 1 45 LYS H 1 49 LYS HA . . 4.110 3.866 3.491 4.070 . 0 0 "[ . 1 . 2]" 1
1283 1 45 LYS H 1 50 VAL H . . 4.600 4.180 3.749 4.614 0.014 18 0 "[ . 1 . 2]" 1
1284 1 45 LYS H 1 50 VAL MG1 . . 3.540 2.713 2.296 3.210 . 0 0 "[ . 1 . 2]" 1
1285 1 45 LYS H 1 50 VAL MG2 . . 5.110 4.927 4.576 5.116 0.006 18 0 "[ . 1 . 2]" 1
1286 1 45 LYS H 1 81 GLU H . . 5.500 5.005 4.780 5.241 . 0 0 "[ . 1 . 2]" 1
1287 1 45 LYS HA 1 81 GLU H . . 4.350 3.789 3.300 4.175 . 0 0 "[ . 1 . 2]" 1
1288 1 45 LYS QB 1 45 LYS QD . . 3.150 2.055 1.997 2.120 . 0 0 "[ . 1 . 2]" 1
1289 1 45 LYS QB 1 46 ASP H . . 4.360 3.701 3.472 3.746 . 0 0 "[ . 1 . 2]" 1
1290 1 45 LYS QB 1 50 VAL HB . . 5.340 4.477 4.183 5.029 . 0 0 "[ . 1 . 2]" 1
1291 1 45 LYS QB 1 50 VAL MG1 . . 3.250 2.326 2.064 2.704 . 0 0 "[ . 1 . 2]" 1
1292 1 45 LYS QB 1 80 PHE HA . . 4.540 3.841 3.399 4.042 . 0 0 "[ . 1 . 2]" 1
1293 1 45 LYS QB 1 80 PHE QD . . 5.340 3.956 3.541 4.291 . 0 0 "[ . 1 . 2]" 1
1294 1 45 LYS QB 1 80 PHE QE . . 4.270 3.713 3.280 4.054 . 0 0 "[ . 1 . 2]" 1
1295 1 45 LYS HB2 1 46 ASP H . . 5.220 4.286 4.204 4.374 . 0 0 "[ . 1 . 2]" 1
1296 1 45 LYS HB2 1 50 VAL MG1 . . 3.790 2.424 2.129 2.874 . 0 0 "[ . 1 . 2]" 1
1297 1 45 LYS HB3 1 46 ASP H . . 5.220 4.050 3.700 4.150 . 0 0 "[ . 1 . 2]" 1
1298 1 45 LYS HB3 1 50 VAL MG1 . . 3.790 3.031 2.600 3.396 . 0 0 "[ . 1 . 2]" 1
1299 1 45 LYS QD 1 80 PHE QE . . 4.110 3.290 2.926 3.546 . 0 0 "[ . 1 . 2]" 1
1300 1 45 LYS QD 1 80 PHE HZ . . 4.280 2.920 2.467 3.331 . 0 0 "[ . 1 . 2]" 1
1301 1 45 LYS HD2 1 80 PHE QE . . 4.950 3.358 2.973 3.638 . 0 0 "[ . 1 . 2]" 1
1302 1 45 LYS HD2 1 80 PHE HZ . . 5.130 2.952 2.485 3.380 . 0 0 "[ . 1 . 2]" 1
1303 1 45 LYS HD3 1 80 PHE QE . . 4.950 4.717 4.343 4.949 . 0 0 "[ . 1 . 2]" 1
1304 1 45 LYS HD3 1 80 PHE HZ . . 5.130 4.645 4.185 5.023 . 0 0 "[ . 1 . 2]" 1
1305 1 45 LYS QE 1 45 LYS HG2 . . 3.170 2.290 2.058 2.534 . 0 0 "[ . 1 . 2]" 1
1306 1 45 LYS QE 1 45 LYS HG3 . . 3.290 2.636 2.538 2.749 . 0 0 "[ . 1 . 2]" 1
1307 1 45 LYS QE 1 76 ASP HA . . 3.840 2.733 2.048 3.326 . 0 0 "[ . 1 . 2]" 1
1308 1 45 LYS QE 1 78 GLY HA2 . . 4.070 3.857 3.640 4.070 0.000 9 0 "[ . 1 . 2]" 1
1309 1 45 LYS QE 1 78 GLY HA3 . . 3.350 2.300 1.999 2.658 . 0 0 "[ . 1 . 2]" 1
1310 1 45 LYS QE 1 79 GLU H . . 4.280 3.961 3.580 4.283 0.003 14 0 "[ . 1 . 2]" 1
1311 1 45 LYS QE 1 80 PHE QE . . 4.010 3.343 2.876 3.857 . 0 0 "[ . 1 . 2]" 1
1312 1 45 LYS QE 1 80 PHE HZ . . 4.410 3.921 3.095 4.382 . 0 0 "[ . 1 . 2]" 1
1313 1 45 LYS HE2 1 45 LYS HG2 . . 3.650 2.329 2.090 2.586 . 0 0 "[ . 1 . 2]" 1
1314 1 45 LYS HE2 1 45 LYS HG3 . . 3.810 2.822 2.588 3.229 . 0 0 "[ . 1 . 2]" 1
1315 1 45 LYS HE2 1 78 GLY HA3 . . 3.840 2.401 2.010 3.068 . 0 0 "[ . 1 . 2]" 1
1316 1 45 LYS HE2 1 80 PHE QE . . 4.670 4.043 3.279 4.674 0.004 8 0 "[ . 1 . 2]" 1
1317 1 45 LYS HE3 1 45 LYS HG2 . . 3.650 3.405 2.902 3.646 . 0 0 "[ . 1 . 2]" 1
1318 1 45 LYS HE3 1 45 LYS HG3 . . 3.810 3.404 2.716 3.747 . 0 0 "[ . 1 . 2]" 1
1319 1 45 LYS HE3 1 78 GLY HA3 . . 3.840 3.420 2.472 3.841 0.001 10 0 "[ . 1 . 2]" 1
1320 1 45 LYS HE3 1 80 PHE QE . . 4.670 3.796 2.924 4.434 . 0 0 "[ . 1 . 2]" 1
1321 1 45 LYS HG2 1 46 ASP H . . 4.200 2.696 2.532 2.988 . 0 0 "[ . 1 . 2]" 1
1322 1 45 LYS HG2 1 46 ASP HB2 . . 5.120 2.933 2.628 3.367 . 0 0 "[ . 1 . 2]" 1
1323 1 45 LYS HG2 1 46 ASP QB . . 4.330 2.867 2.570 3.306 . 0 0 "[ . 1 . 2]" 1
1324 1 45 LYS HG2 1 46 ASP HB3 . . 5.120 4.055 3.591 4.827 . 0 0 "[ . 1 . 2]" 1
1325 1 45 LYS HG2 1 78 GLY HA2 . . 5.340 5.082 4.788 5.347 0.007 8 0 "[ . 1 . 2]" 1
1326 1 45 LYS HG2 1 78 GLY HA3 . . 4.950 3.459 3.160 3.769 . 0 0 "[ . 1 . 2]" 1
1327 1 45 LYS HG2 1 79 GLU H . . 4.550 3.758 3.294 4.244 . 0 0 "[ . 1 . 2]" 1
1328 1 45 LYS HG2 1 80 PHE HA . . 4.870 4.659 4.453 4.867 . 0 0 "[ . 1 . 2]" 1
1329 1 45 LYS HG3 1 46 ASP H . . 4.460 3.560 3.081 3.830 . 0 0 "[ . 1 . 2]" 1
1330 1 45 LYS HG3 1 78 GLY HA2 . . 5.500 5.409 5.139 5.508 0.008 13 0 "[ . 1 . 2]" 1
1331 1 45 LYS HG3 1 78 GLY HA3 . . 4.890 3.814 3.548 3.965 . 0 0 "[ . 1 . 2]" 1
1332 1 45 LYS HG3 1 79 GLU H . . 4.920 4.141 3.386 4.795 . 0 0 "[ . 1 . 2]" 1
1333 1 45 LYS HG3 1 80 PHE HA . . 4.660 3.609 3.225 4.239 . 0 0 "[ . 1 . 2]" 1
1334 1 45 LYS HG3 1 80 PHE QD . . 5.100 3.533 3.253 3.813 . 0 0 "[ . 1 . 2]" 1
1335 1 45 LYS HG3 1 80 PHE QE . . 5.120 3.275 2.608 3.678 . 0 0 "[ . 1 . 2]" 1
1336 1 46 ASP H 1 46 ASP HA . . 2.900 2.285 2.277 2.302 . 0 0 "[ . 1 . 2]" 1
1337 1 46 ASP H 1 47 GLY H . . 3.390 2.828 2.716 2.918 . 0 0 "[ . 1 . 2]" 1
1338 1 46 ASP H 1 79 GLU H . . 3.900 3.376 2.746 3.904 0.004 7 0 "[ . 1 . 2]" 1
1339 1 46 ASP H 1 79 GLU HB2 . . 5.030 4.885 4.540 5.032 0.002 11 0 "[ . 1 . 2]" 1
1340 1 46 ASP H 1 79 GLU QB . . 4.160 3.291 3.109 3.457 . 0 0 "[ . 1 . 2]" 1
1341 1 46 ASP H 1 79 GLU HB3 . . 5.030 3.346 3.166 3.527 . 0 0 "[ . 1 . 2]" 1
1342 1 46 ASP H 1 80 PHE HA . . 4.270 4.099 3.908 4.270 0.000 19 0 "[ . 1 . 2]" 1
1343 1 46 ASP HA 1 47 GLY H . . 3.100 2.870 2.767 2.989 . 0 0 "[ . 1 . 2]" 1
1344 1 46 ASP HA 1 79 GLU H . . 4.470 4.020 3.100 4.374 . 0 0 "[ . 1 . 2]" 1
1345 1 46 ASP QB 1 48 GLN H . . 4.130 4.041 3.739 4.202 0.072 15 0 "[ . 1 . 2]" 1
1346 1 46 ASP HB2 1 47 GLY H . . 4.750 4.432 4.035 4.586 . 0 0 "[ . 1 . 2]" 1
1347 1 46 ASP HB3 1 47 GLY H . . 4.750 4.226 4.019 4.440 . 0 0 "[ . 1 . 2]" 1
1348 1 47 GLY H 1 47 GLY HA2 . . 2.910 2.309 2.295 2.345 . 0 0 "[ . 1 . 2]" 1
1349 1 47 GLY H 1 48 GLN H . . 3.260 2.550 2.320 2.708 . 0 0 "[ . 1 . 2]" 1
1350 1 47 GLY H 1 48 GLN HA . . 5.500 5.200 5.017 5.322 . 0 0 "[ . 1 . 2]" 1
1351 1 47 GLY H 1 48 GLN QB . . 5.330 4.730 4.518 4.865 . 0 0 "[ . 1 . 2]" 1
1352 1 47 GLY H 1 81 GLU HB3 . . 5.500 5.193 4.788 5.438 . 0 0 "[ . 1 . 2]" 1
1353 1 47 GLY HA3 1 48 GLN QG . . 5.340 3.959 3.534 5.451 0.111 15 0 "[ . 1 . 2]" 1
1354 1 48 GLN H 1 48 GLN QB . . 2.900 2.773 2.580 2.916 0.016 18 0 "[ . 1 . 2]" 1
1355 1 48 GLN H 1 48 GLN HG2 . . 4.000 3.586 2.728 3.995 . 0 0 "[ . 1 . 2]" 1
1356 1 48 GLN H 1 48 GLN HG3 . . 4.000 3.549 3.223 4.013 0.013 16 0 "[ . 1 . 2]" 1
1357 1 48 GLN H 1 49 LYS H . . 4.450 4.219 4.019 4.461 0.011 13 0 "[ . 1 . 2]" 1
1358 1 48 GLN HA 1 48 GLN HG2 . . 3.820 2.692 2.352 3.848 0.028 20 0 "[ . 1 . 2]" 1
1359 1 48 GLN HA 1 48 GLN HG3 . . 3.820 3.458 3.282 3.807 . 0 0 "[ . 1 . 2]" 1
1360 1 48 GLN HA 1 49 LYS H . . 2.780 2.189 2.138 2.382 . 0 0 "[ . 1 . 2]" 1
1361 1 48 GLN HA 1 49 LYS HB2 . . 4.920 4.514 4.376 4.821 . 0 0 "[ . 1 . 2]" 1
1362 1 48 GLN HA 1 49 LYS HB3 . . 4.920 4.702 4.384 4.866 . 0 0 "[ . 1 . 2]" 1
1363 1 48 GLN QB 1 49 LYS H . . 3.390 3.096 2.566 3.380 . 0 0 "[ . 1 . 2]" 1
1364 1 48 GLN QG 1 49 LYS H . . 4.340 4.105 2.946 4.352 0.012 16 0 "[ . 1 . 2]" 1
1365 1 49 LYS H 1 49 LYS HB2 . . 3.150 2.483 2.280 2.727 . 0 0 "[ . 1 . 2]" 1
1366 1 49 LYS H 1 49 LYS HB3 . . 3.150 2.600 2.348 2.835 . 0 0 "[ . 1 . 2]" 1
1367 1 49 LYS H 1 49 LYS HG2 . . 4.610 4.470 4.395 4.564 . 0 0 "[ . 1 . 2]" 1
1368 1 49 LYS H 1 49 LYS QG . . 4.050 3.961 3.886 4.043 . 0 0 "[ . 1 . 2]" 1
1369 1 49 LYS H 1 49 LYS HG3 . . 4.610 4.433 4.239 4.638 0.028 18 0 "[ . 1 . 2]" 1
1370 1 49 LYS HA 1 49 LYS HG2 . . 3.860 2.937 2.591 3.266 . 0 0 "[ . 1 . 2]" 1
1371 1 49 LYS HA 1 49 LYS QG . . 3.180 2.462 2.311 2.620 . 0 0 "[ . 1 . 2]" 1
1372 1 49 LYS HA 1 49 LYS HG3 . . 3.860 2.738 2.363 3.672 . 0 0 "[ . 1 . 2]" 1
1373 1 49 LYS HA 1 50 VAL H . . 2.790 2.196 2.148 2.271 . 0 0 "[ . 1 . 2]" 1
1374 1 49 LYS HA 1 50 VAL HA . . 4.450 4.363 4.351 4.373 . 0 0 "[ . 1 . 2]" 1
1375 1 49 LYS HA 1 50 VAL MG1 . . 4.050 3.487 3.291 3.774 . 0 0 "[ . 1 . 2]" 1
1376 1 49 LYS HA 1 50 VAL MG2 . . 4.100 4.002 3.878 4.094 . 0 0 "[ . 1 . 2]" 1
1377 1 49 LYS QB 1 49 LYS QE . . 4.200 2.908 2.021 3.648 . 0 0 "[ . 1 . 2]" 1
1378 1 49 LYS QB 1 50 VAL H . . 3.780 3.636 3.485 3.773 . 0 0 "[ . 1 . 2]" 1
1379 1 49 LYS HB2 1 49 LYS HE2 . . 5.500 4.131 3.291 5.031 . 0 0 "[ . 1 . 2]" 1
1380 1 49 LYS HB2 1 49 LYS HE3 . . 5.500 3.899 2.066 4.814 . 0 0 "[ . 1 . 2]" 1
1381 1 49 LYS HB2 1 50 VAL H . . 4.300 4.141 3.783 4.276 . 0 0 "[ . 1 . 2]" 1
1382 1 49 LYS HB3 1 49 LYS HE2 . . 5.500 3.943 2.059 4.619 . 0 0 "[ . 1 . 2]" 1
1383 1 49 LYS HB3 1 49 LYS HE3 . . 5.500 3.837 2.203 4.806 . 0 0 "[ . 1 . 2]" 1
1384 1 49 LYS HB3 1 50 VAL H . . 4.300 4.037 3.776 4.257 . 0 0 "[ . 1 . 2]" 1
1385 1 49 LYS QE 1 49 LYS QG . . 2.890 2.188 2.064 2.283 . 0 0 "[ . 1 . 2]" 1
1386 1 49 LYS QE 1 50 VAL H . . 5.100 4.604 4.003 5.088 . 0 0 "[ . 1 . 2]" 1
1387 1 49 LYS HE2 1 49 LYS HG2 . . 3.990 3.132 2.199 3.769 . 0 0 "[ . 1 . 2]" 1
1388 1 49 LYS HE2 1 49 LYS HG3 . . 3.990 2.984 2.161 3.928 . 0 0 "[ . 1 . 2]" 1
1389 1 49 LYS HE3 1 49 LYS HG2 . . 3.990 3.188 2.205 3.951 . 0 0 "[ . 1 . 2]" 1
1390 1 49 LYS HE3 1 49 LYS HG3 . . 3.990 3.013 2.320 3.693 . 0 0 "[ . 1 . 2]" 1
1391 1 49 LYS QG 1 50 VAL H . . 3.260 2.477 1.985 2.835 . 0 0 "[ . 1 . 2]" 1
1392 1 49 LYS HG2 1 50 VAL H . . 3.740 2.648 1.992 3.209 . 0 0 "[ . 1 . 2]" 1
1393 1 49 LYS HG3 1 50 VAL H . . 3.740 3.231 2.595 3.759 0.019 18 0 "[ . 1 . 2]" 1
1394 1 50 VAL H 1 50 VAL HB . . 3.790 3.664 3.627 3.713 . 0 0 "[ . 1 . 2]" 1
1395 1 50 VAL H 1 50 VAL MG1 . . 2.950 2.286 2.037 2.506 . 0 0 "[ . 1 . 2]" 1
1396 1 50 VAL H 1 50 VAL MG2 . . 3.000 2.181 1.969 2.348 . 0 0 "[ . 1 . 2]" 1
1397 1 50 VAL H 1 51 GLU H . . 4.650 4.584 4.540 4.620 . 0 0 "[ . 1 . 2]" 1
1398 1 50 VAL HA 1 50 VAL HB . . 3.000 2.404 2.356 2.445 . 0 0 "[ . 1 . 2]" 1
1399 1 50 VAL HA 1 50 VAL MG1 . . 2.980 2.430 2.289 2.526 . 0 0 "[ . 1 . 2]" 1
1400 1 50 VAL HA 1 50 VAL MG2 . . 3.530 3.188 3.178 3.200 . 0 0 "[ . 1 . 2]" 1
1401 1 50 VAL HA 1 51 GLU H . . 2.630 2.305 2.192 2.479 . 0 0 "[ . 1 . 2]" 1
1402 1 50 VAL HA 1 51 GLU QB . . 4.550 4.207 3.985 4.494 . 0 0 "[ . 1 . 2]" 1
1403 1 50 VAL HA 1 56 LEU MD1 . . 4.960 3.718 3.447 4.855 . 0 0 "[ . 1 . 2]" 1
1404 1 50 VAL HA 1 56 LEU QD . . 3.920 3.551 3.345 3.919 . 0 0 "[ . 1 . 2]" 1
1405 1 50 VAL HA 1 56 LEU MD2 . . 4.960 4.821 3.839 4.984 0.024 14 0 "[ . 1 . 2]" 1
1406 1 50 VAL HB 1 51 GLU H . . 3.170 2.679 2.242 3.028 . 0 0 "[ . 1 . 2]" 1
1407 1 50 VAL HB 1 56 LEU MD1 . . 3.310 2.017 1.779 3.105 . 0 0 "[ . 1 . 2]" 1
1408 1 50 VAL HB 1 56 LEU QD . . 2.840 1.912 1.767 2.271 . 0 0 "[ . 1 . 2]" 1
1409 1 50 VAL HB 1 56 LEU MD2 . . 3.310 2.874 1.956 3.083 . 0 0 "[ . 1 . 2]" 1
1410 1 50 VAL HB 1 67 LEU QD . . 4.910 3.820 3.376 4.284 . 0 0 "[ . 1 . 2]" 1
1411 1 50 VAL MG1 1 56 LEU QD . . 3.670 2.725 2.251 3.110 . 0 0 "[ . 1 . 2]" 1
1412 1 50 VAL MG1 1 67 LEU MD1 . . 5.000 3.411 2.867 4.659 . 0 0 "[ . 1 . 2]" 1
1413 1 50 VAL MG1 1 67 LEU QD . . 3.740 3.154 2.835 3.607 . 0 0 "[ . 1 . 2]" 1
1414 1 50 VAL MG1 1 67 LEU MD2 . . 5.000 4.504 3.281 4.965 . 0 0 "[ . 1 . 2]" 1
1415 1 50 VAL MG1 1 80 PHE QD . . 3.960 3.582 2.880 3.905 . 0 0 "[ . 1 . 2]" 1
1416 1 50 VAL MG1 1 80 PHE QE . . 3.670 3.252 2.525 3.594 . 0 0 "[ . 1 . 2]" 1
1417 1 50 VAL MG2 1 51 GLU H . . 3.780 3.474 2.951 3.722 . 0 0 "[ . 1 . 2]" 1
1418 1 50 VAL MG2 1 52 GLU HA . . 4.630 4.131 3.711 4.366 . 0 0 "[ . 1 . 2]" 1
1419 1 50 VAL MG2 1 52 GLU QG . . 3.780 3.275 2.555 3.694 . 0 0 "[ . 1 . 2]" 1
1420 1 50 VAL MG2 1 56 LEU HB3 . . 4.790 4.700 4.276 4.792 0.002 7 0 "[ . 1 . 2]" 1
1421 1 50 VAL MG2 1 67 LEU QD . . 4.570 2.917 2.405 3.397 . 0 0 "[ . 1 . 2]" 1
1422 1 50 VAL MG2 1 80 PHE QD . . 5.290 4.764 4.034 5.186 . 0 0 "[ . 1 . 2]" 1
1423 1 50 VAL MG2 1 80 PHE QE . . 4.970 4.564 3.926 4.947 . 0 0 "[ . 1 . 2]" 1
1424 1 51 GLU H 1 51 GLU HB2 . . 3.890 2.911 2.259 3.719 . 0 0 "[ . 1 . 2]" 1
1425 1 51 GLU H 1 51 GLU QB . . 3.020 2.486 2.200 2.871 . 0 0 "[ . 1 . 2]" 1
1426 1 51 GLU H 1 51 GLU HB3 . . 3.890 3.170 2.273 3.824 . 0 0 "[ . 1 . 2]" 1
1427 1 51 GLU H 1 51 GLU HG2 . . 4.620 3.634 1.898 4.614 . 0 0 "[ . 1 . 2]" 1
1428 1 51 GLU H 1 51 GLU QG . . 3.800 3.041 1.854 3.870 0.070 20 0 "[ . 1 . 2]" 1
1429 1 51 GLU H 1 51 GLU HG3 . . 4.620 3.577 2.599 4.459 . 0 0 "[ . 1 . 2]" 1
1430 1 51 GLU H 1 56 LEU MD1 . . 4.360 2.929 2.261 4.303 . 0 0 "[ . 1 . 2]" 1
1431 1 51 GLU H 1 56 LEU QD . . 3.380 2.778 2.244 3.191 . 0 0 "[ . 1 . 2]" 1
1432 1 51 GLU H 1 56 LEU MD2 . . 4.360 4.002 3.247 4.361 0.001 19 0 "[ . 1 . 2]" 1
1433 1 51 GLU HA 1 51 GLU HG2 . . 3.980 3.168 2.348 3.937 . 0 0 "[ . 1 . 2]" 1
1434 1 51 GLU HA 1 51 GLU QG . . 3.410 2.695 2.222 3.339 . 0 0 "[ . 1 . 2]" 1
1435 1 51 GLU HA 1 51 GLU HG3 . . 3.980 3.085 2.247 3.907 . 0 0 "[ . 1 . 2]" 1
1436 1 51 GLU HA 1 52 GLU H . . 2.580 2.170 2.139 2.255 . 0 0 "[ . 1 . 2]" 1
1437 1 51 GLU QB 1 52 GLU H . . 3.860 3.528 2.912 3.869 0.009 2 0 "[ . 1 . 2]" 1
1438 1 51 GLU HB2 1 52 GLU H . . 4.620 4.152 2.986 4.574 . 0 0 "[ . 1 . 2]" 1
1439 1 51 GLU HB3 1 52 GLU H . . 4.620 3.986 3.028 4.547 . 0 0 "[ . 1 . 2]" 1
1440 1 51 GLU QG 1 52 GLU H . . 4.450 3.878 2.702 4.428 . 0 0 "[ . 1 . 2]" 1
1441 1 51 GLU HG2 1 52 GLU H . . 5.260 4.565 2.758 5.265 0.005 1 0 "[ . 1 . 2]" 1
1442 1 51 GLU HG3 1 52 GLU H . . 5.260 4.393 2.755 5.128 . 0 0 "[ . 1 . 2]" 1
1443 1 52 GLU H 1 52 GLU HB2 . . 3.010 2.281 2.190 2.458 . 0 0 "[ . 1 . 2]" 1
1444 1 52 GLU H 1 52 GLU HB3 . . 3.560 3.540 3.496 3.587 0.027 18 0 "[ . 1 . 2]" 1
1445 1 52 GLU H 1 52 GLU QG . . 2.950 2.828 2.561 2.963 0.013 14 0 "[ . 1 . 2]" 1
1446 1 52 GLU H 1 53 SER H . . 4.560 4.465 4.365 4.573 0.013 17 0 "[ . 1 . 2]" 1
1447 1 52 GLU H 1 56 LEU QD . . 4.540 3.818 3.197 4.285 . 0 0 "[ . 1 . 2]" 1
1448 1 52 GLU HA 1 52 GLU QG . . 3.050 2.305 2.258 2.351 . 0 0 "[ . 1 . 2]" 1
1449 1 52 GLU HA 1 53 SER H . . 2.680 2.145 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
1450 1 52 GLU HA 1 56 LEU H . . 5.000 4.754 4.543 4.942 . 0 0 "[ . 1 . 2]" 1
1451 1 52 GLU HA 1 56 LEU HB2 . . 4.560 4.249 3.659 4.561 0.001 8 0 "[ . 1 . 2]" 1
1452 1 52 GLU HA 1 56 LEU HB3 . . 3.540 2.591 2.173 2.844 . 0 0 "[ . 1 . 2]" 1
1453 1 52 GLU HA 1 56 LEU MD1 . . 4.310 3.904 3.427 4.312 0.002 1 0 "[ . 1 . 2]" 1
1454 1 52 GLU HA 1 56 LEU QD . . 3.060 2.388 1.942 2.786 . 0 0 "[ . 1 . 2]" 1
1455 1 52 GLU HA 1 56 LEU MD2 . . 4.310 2.416 1.945 2.832 . 0 0 "[ . 1 . 2]" 1
1456 1 52 GLU HA 1 58 VAL QG . . 4.070 3.476 3.170 4.079 0.009 6 0 "[ . 1 . 2]" 1
1457 1 52 GLU HB2 1 53 SER H . . 4.480 4.427 4.293 4.496 0.016 6 0 "[ . 1 . 2]" 1
1458 1 52 GLU HB2 1 56 LEU QD . . 4.960 4.486 3.952 4.878 . 0 0 "[ . 1 . 2]" 1
1459 1 52 GLU HB2 1 58 VAL QG . . 5.370 4.485 4.094 4.906 . 0 0 "[ . 1 . 2]" 1
1460 1 52 GLU HB3 1 53 SER H . . 3.730 3.513 3.229 3.665 . 0 0 "[ . 1 . 2]" 1
1461 1 52 GLU HB3 1 56 LEU QD . . 4.880 4.197 3.532 4.609 . 0 0 "[ . 1 . 2]" 1
1462 1 52 GLU HB3 1 58 VAL QG . . 5.090 4.032 3.504 4.508 . 0 0 "[ . 1 . 2]" 1
1463 1 52 GLU QG 1 53 SER H . . 4.030 3.911 3.575 4.046 0.016 14 0 "[ . 1 . 2]" 1
1464 1 52 GLU QG 1 56 LEU QD . . 3.330 2.719 2.132 3.103 . 0 0 "[ . 1 . 2]" 1
1465 1 52 GLU QG 1 58 VAL H . . 4.000 3.772 3.037 4.002 0.002 8 0 "[ . 1 . 2]" 1
1466 1 52 GLU QG 1 58 VAL HB . . 3.770 2.950 2.496 3.287 . 0 0 "[ . 1 . 2]" 1
1467 1 52 GLU QG 1 58 VAL MG1 . . 4.130 3.732 1.996 4.102 . 0 0 "[ . 1 . 2]" 1
1468 1 52 GLU QG 1 58 VAL QG . . 3.140 2.080 1.800 2.440 . 0 0 "[ . 1 . 2]" 1
1469 1 52 GLU QG 1 58 VAL MG2 . . 4.130 2.187 1.805 3.921 . 0 0 "[ . 1 . 2]" 1
1470 1 53 SER H 1 54 GLU HA . . 5.150 5.073 5.017 5.161 0.011 6 0 "[ . 1 . 2]" 1
1471 1 53 SER H 1 55 LEU H . . 4.570 4.410 3.954 4.574 0.004 7 0 "[ . 1 . 2]" 1
1472 1 53 SER H 1 56 LEU H . . 3.100 2.898 2.742 3.074 . 0 0 "[ . 1 . 2]" 1
1473 1 53 SER H 1 56 LEU HB2 . . 4.130 3.584 3.281 3.869 . 0 0 "[ . 1 . 2]" 1
1474 1 53 SER H 1 56 LEU HB3 . . 3.540 2.152 1.907 2.394 . 0 0 "[ . 1 . 2]" 1
1475 1 53 SER H 1 56 LEU MD1 . . 4.790 4.355 4.128 4.744 . 0 0 "[ . 1 . 2]" 1
1476 1 53 SER H 1 56 LEU QD . . 3.770 3.159 2.862 3.406 . 0 0 "[ . 1 . 2]" 1
1477 1 53 SER H 1 56 LEU MD2 . . 4.790 3.250 2.906 3.557 . 0 0 "[ . 1 . 2]" 1
1478 1 53 SER H 1 57 VAL QG . . 5.130 4.598 4.291 4.886 . 0 0 "[ . 1 . 2]" 1
1479 1 53 SER QB 1 54 GLU H . . 3.590 2.441 1.946 2.837 . 0 0 "[ . 1 . 2]" 1
1480 1 53 SER QB 1 56 LEU H . . 4.620 3.463 2.815 4.063 . 0 0 "[ . 1 . 2]" 1
1481 1 53 SER HB2 1 54 GLU H . . 4.170 2.930 1.956 3.776 . 0 0 "[ . 1 . 2]" 1
1482 1 53 SER HB2 1 55 LEU H . . 4.400 3.733 2.692 4.359 . 0 0 "[ . 1 . 2]" 1
1483 1 53 SER HB3 1 54 GLU H . . 4.170 3.221 2.696 3.786 . 0 0 "[ . 1 . 2]" 1
1484 1 53 SER HB3 1 55 LEU H . . 4.400 3.404 2.333 4.389 . 0 0 "[ . 1 . 2]" 1
1485 1 53 SER HG 1 55 LEU H . . 4.460 3.103 2.013 4.146 . 0 0 "[ . 1 . 2]" 1
1486 1 54 GLU H 1 54 GLU HG2 . . 4.830 2.755 2.191 4.590 . 0 0 "[ . 1 . 2]" 1
1487 1 54 GLU H 1 54 GLU HG3 . . 4.830 3.756 3.390 4.440 . 0 0 "[ . 1 . 2]" 1
1488 1 54 GLU H 1 55 LEU H . . 3.900 2.726 2.641 2.841 . 0 0 "[ . 1 . 2]" 1
1489 1 54 GLU HA 1 54 GLU HG2 . . 3.800 3.751 3.677 3.837 0.037 15 0 "[ . 1 . 2]" 1
1490 1 54 GLU HA 1 54 GLU HG3 . . 3.800 3.549 2.704 3.799 . 0 0 "[ . 1 . 2]" 1
1491 1 54 GLU HA 1 55 LEU MD2 . . 5.500 5.402 5.197 5.501 0.001 19 0 "[ . 1 . 2]" 1
1492 1 54 GLU HA 1 56 LEU H . . 4.010 3.893 3.728 4.017 0.007 14 0 "[ . 1 . 2]" 1
1493 1 54 GLU HA 1 57 VAL QG . . 4.340 3.568 3.219 4.011 . 0 0 "[ . 1 . 2]" 1
1494 1 54 GLU QB 1 55 LEU MD2 . . 4.370 4.248 3.914 4.370 0.000 8 0 "[ . 1 . 2]" 1
1495 1 54 GLU QB 1 55 LEU HG . . 4.400 4.063 3.115 4.392 . 0 0 "[ . 1 . 2]" 1
1496 1 54 GLU QB 1 57 VAL QG . . 5.280 4.707 4.357 5.139 . 0 0 "[ . 1 . 2]" 1
1497 1 54 GLU HB2 1 55 LEU H . . 4.210 3.971 3.806 4.211 0.001 2 0 "[ . 1 . 2]" 1
1498 1 54 GLU HB2 1 55 LEU HG . . 5.100 4.704 4.402 4.974 . 0 0 "[ . 1 . 2]" 1
1499 1 54 GLU HB3 1 55 LEU H . . 4.210 3.717 2.690 4.063 . 0 0 "[ . 1 . 2]" 1
1500 1 54 GLU HB3 1 55 LEU HG . . 5.100 4.639 3.151 5.106 0.006 8 0 "[ . 1 . 2]" 1
1501 1 54 GLU QG 1 55 LEU H . . 3.900 2.497 2.066 3.708 . 0 0 "[ . 1 . 2]" 1
1502 1 54 GLU QG 1 55 LEU MD2 . . 3.580 2.819 2.511 3.493 . 0 0 "[ . 1 . 2]" 1
1503 1 54 GLU HG2 1 55 LEU H . . 4.720 2.775 2.161 4.611 . 0 0 "[ . 1 . 2]" 1
1504 1 54 GLU HG2 1 55 LEU MD2 . . 4.090 3.885 2.836 4.090 . 0 0 "[ . 1 . 2]" 1
1505 1 54 GLU HG2 1 55 LEU HG . . 4.230 2.945 2.680 4.231 0.001 15 0 "[ . 1 . 2]" 1
1506 1 54 GLU HG3 1 55 LEU H . . 4.720 2.910 2.264 4.059 . 0 0 "[ . 1 . 2]" 1
1507 1 54 GLU HG3 1 55 LEU MD2 . . 4.090 3.000 2.547 3.960 . 0 0 "[ . 1 . 2]" 1
1508 1 54 GLU HG3 1 55 LEU HG . . 4.230 2.677 2.025 4.229 . 0 0 "[ . 1 . 2]" 1
1509 1 55 LEU H 1 55 LEU HB2 . . 3.030 2.427 2.363 2.511 . 0 0 "[ . 1 . 2]" 1
1510 1 55 LEU H 1 55 LEU HB3 . . 3.800 3.608 3.575 3.645 . 0 0 "[ . 1 . 2]" 1
1511 1 55 LEU H 1 55 LEU MD1 . . 3.900 3.643 3.505 3.810 . 0 0 "[ . 1 . 2]" 1
1512 1 55 LEU H 1 55 LEU MD2 . . 3.720 3.621 3.451 3.727 0.007 6 0 "[ . 1 . 2]" 1
1513 1 55 LEU H 1 55 LEU HG . . 3.110 2.519 2.317 2.732 . 0 0 "[ . 1 . 2]" 1
1514 1 55 LEU H 1 56 LEU H . . 2.800 2.395 2.218 2.533 . 0 0 "[ . 1 . 2]" 1
1515 1 55 LEU HA 1 55 LEU MD1 . . 4.070 3.890 3.840 3.938 . 0 0 "[ . 1 . 2]" 1
1516 1 55 LEU HA 1 55 LEU MD2 . . 2.690 2.141 1.983 2.377 . 0 0 "[ . 1 . 2]" 1
1517 1 55 LEU HA 1 55 LEU HG . . 3.650 3.036 2.992 3.102 . 0 0 "[ . 1 . 2]" 1
1518 1 55 LEU HA 1 56 LEU H . . 3.530 3.370 3.271 3.447 . 0 0 "[ . 1 . 2]" 1
1519 1 55 LEU HA 1 57 VAL H . . 5.500 5.459 5.279 5.513 0.013 1 0 "[ . 1 . 2]" 1
1520 1 55 LEU HA 1 57 VAL QG . . 5.030 4.481 4.315 4.601 . 0 0 "[ . 1 . 2]" 1
1521 1 55 LEU HA 1 70 PRO HB2 . . 4.850 4.501 4.241 4.782 . 0 0 "[ . 1 . 2]" 1
1522 1 55 LEU HA 1 70 PRO HB3 . . 5.200 4.829 4.598 5.075 . 0 0 "[ . 1 . 2]" 1
1523 1 55 LEU HA 1 70 PRO HD2 . . 3.310 3.008 2.688 3.163 . 0 0 "[ . 1 . 2]" 1
1524 1 55 LEU HA 1 70 PRO HD3 . . 4.080 3.815 3.579 3.990 . 0 0 "[ . 1 . 2]" 1
1525 1 55 LEU HA 1 70 PRO HG2 . . 3.860 2.399 2.068 2.644 . 0 0 "[ . 1 . 2]" 1
1526 1 55 LEU HA 1 70 PRO HG3 . . 4.450 2.618 2.417 2.905 . 0 0 "[ . 1 . 2]" 1
1527 1 55 LEU HA 1 71 GLU H . . 4.490 4.071 3.672 4.230 . 0 0 "[ . 1 . 2]" 1
1528 1 55 LEU HB2 1 55 LEU MD1 . . 3.010 2.218 2.093 2.347 . 0 0 "[ . 1 . 2]" 1
1529 1 55 LEU HB2 1 56 LEU H . . 3.640 3.255 3.026 3.507 . 0 0 "[ . 1 . 2]" 1
1530 1 55 LEU HB3 1 55 LEU MD1 . . 3.050 2.455 2.305 2.548 . 0 0 "[ . 1 . 2]" 1
1531 1 55 LEU HB3 1 55 LEU MD2 . . 2.950 2.280 2.149 2.372 . 0 0 "[ . 1 . 2]" 1
1532 1 55 LEU HB3 1 69 LEU MD2 . . 3.960 3.804 3.590 3.959 . 0 0 "[ . 1 . 2]" 1
1533 1 55 LEU HB3 1 70 PRO HD2 . . 4.570 4.202 3.792 4.468 . 0 0 "[ . 1 . 2]" 1
1534 1 55 LEU MD1 1 56 LEU H . . 5.120 4.952 4.769 5.077 . 0 0 "[ . 1 . 2]" 1
1535 1 55 LEU MD1 1 73 LYS QE . . 3.910 3.063 2.063 3.902 . 0 0 "[ . 1 . 2]" 1
1536 1 55 LEU MD2 1 56 LEU H . . 4.900 4.792 4.712 4.885 . 0 0 "[ . 1 . 2]" 1
1537 1 55 LEU MD2 1 70 PRO HB2 . . 4.490 4.127 3.819 4.450 . 0 0 "[ . 1 . 2]" 1
1538 1 55 LEU MD2 1 70 PRO HD2 . . 4.280 4.082 3.861 4.269 . 0 0 "[ . 1 . 2]" 1
1539 1 55 LEU MD2 1 70 PRO HD3 . . 5.340 5.003 4.839 5.194 . 0 0 "[ . 1 . 2]" 1
1540 1 55 LEU MD2 1 70 PRO HG2 . . 3.470 2.745 2.383 2.988 . 0 0 "[ . 1 . 2]" 1
1541 1 55 LEU MD2 1 70 PRO HG3 . . 4.120 3.570 3.369 3.809 . 0 0 "[ . 1 . 2]" 1
1542 1 55 LEU MD2 1 71 GLU H . . 3.930 3.700 3.169 3.927 . 0 0 "[ . 1 . 2]" 1
1543 1 55 LEU MD2 1 71 GLU HB2 . . 4.300 3.417 2.797 3.799 . 0 0 "[ . 1 . 2]" 1
1544 1 55 LEU MD2 1 71 GLU QB . . 3.760 2.786 2.292 2.956 . 0 0 "[ . 1 . 2]" 1
1545 1 55 LEU MD2 1 71 GLU HB3 . . 4.300 2.959 2.434 3.292 . 0 0 "[ . 1 . 2]" 1
1546 1 55 LEU MD2 1 71 GLU HG2 . . 5.310 4.893 4.170 5.165 . 0 0 "[ . 1 . 2]" 1
1547 1 55 LEU MD2 1 71 GLU QG . . 4.600 4.448 3.863 4.609 0.009 8 0 "[ . 1 . 2]" 1
1548 1 55 LEU MD2 1 71 GLU HG3 . . 5.310 5.119 4.562 5.308 . 0 0 "[ . 1 . 2]" 1
1549 1 55 LEU MD2 1 73 LYS QE . . 3.960 3.302 2.534 3.962 0.002 19 0 "[ . 1 . 2]" 1
1550 1 55 LEU HG 1 56 LEU H . . 4.810 4.589 4.480 4.666 . 0 0 "[ . 1 . 2]" 1
1551 1 56 LEU H 1 56 LEU HB2 . . 3.550 2.955 2.837 3.072 . 0 0 "[ . 1 . 2]" 1
1552 1 56 LEU H 1 56 LEU HB3 . . 3.260 2.894 2.756 3.040 . 0 0 "[ . 1 . 2]" 1
1553 1 56 LEU H 1 56 LEU MD1 . . 4.690 4.556 4.331 4.682 . 0 0 "[ . 1 . 2]" 1
1554 1 56 LEU H 1 56 LEU QD . . 4.080 3.906 3.804 3.993 . 0 0 "[ . 1 . 2]" 1
1555 1 56 LEU H 1 56 LEU MD2 . . 4.690 4.263 4.039 4.535 . 0 0 "[ . 1 . 2]" 1
1556 1 56 LEU H 1 56 LEU HG . . 5.110 4.642 4.600 4.687 . 0 0 "[ . 1 . 2]" 1
1557 1 56 LEU H 1 57 VAL H . . 4.110 3.988 3.893 4.077 . 0 0 "[ . 1 . 2]" 1
1558 1 56 LEU H 1 57 VAL HA . . 5.470 4.653 4.558 4.717 . 0 0 "[ . 1 . 2]" 1
1559 1 56 LEU H 1 57 VAL QG . . 4.030 3.665 3.506 3.810 . 0 0 "[ . 1 . 2]" 1
1560 1 56 LEU H 1 69 LEU MD2 . . 4.710 4.295 4.086 4.560 . 0 0 "[ . 1 . 2]" 1
1561 1 56 LEU H 1 70 PRO HD2 . . 4.930 4.618 4.428 4.805 . 0 0 "[ . 1 . 2]" 1
1562 1 56 LEU H 1 70 PRO HD3 . . 5.070 4.900 4.701 5.080 0.010 19 0 "[ . 1 . 2]" 1
1563 1 56 LEU HA 1 56 LEU MD1 . . 3.930 3.456 2.432 3.600 . 0 0 "[ . 1 . 2]" 1
1564 1 56 LEU HA 1 56 LEU QD . . 3.350 2.920 2.407 3.055 . 0 0 "[ . 1 . 2]" 1
1565 1 56 LEU HA 1 56 LEU MD2 . . 3.930 3.249 3.047 3.865 . 0 0 "[ . 1 . 2]" 1
1566 1 56 LEU HA 1 56 LEU HG . . 3.200 2.362 2.266 2.658 . 0 0 "[ . 1 . 2]" 1
1567 1 56 LEU HA 1 57 VAL H . . 2.800 2.164 2.150 2.189 . 0 0 "[ . 1 . 2]" 1
1568 1 56 LEU HA 1 57 VAL HB . . 5.500 4.822 4.691 4.914 . 0 0 "[ . 1 . 2]" 1
1569 1 56 LEU HA 1 67 LEU QD . . 4.500 3.075 2.911 3.316 . 0 0 "[ . 1 . 2]" 1
1570 1 56 LEU HA 1 68 ILE H . . 5.500 5.451 5.245 5.526 0.026 6 0 "[ . 1 . 2]" 1
1571 1 56 LEU HA 1 69 LEU MD2 . . 3.310 2.157 1.927 2.585 . 0 0 "[ . 1 . 2]" 1
1572 1 56 LEU HA 1 70 PRO HD2 . . 4.430 3.682 3.419 3.980 . 0 0 "[ . 1 . 2]" 1
1573 1 56 LEU HA 1 70 PRO HD3 . . 4.370 4.157 3.934 4.371 0.001 14 0 "[ . 1 . 2]" 1
1574 1 56 LEU HB2 1 56 LEU MD1 . . 3.370 2.102 1.989 2.200 . 0 0 "[ . 1 . 2]" 1
1575 1 56 LEU HB2 1 56 LEU QD . . 2.820 2.065 1.968 2.159 . 0 0 "[ . 1 . 2]" 1
1576 1 56 LEU HB2 1 56 LEU MD2 . . 3.370 3.080 2.612 3.138 . 0 0 "[ . 1 . 2]" 1
1577 1 56 LEU HB2 1 57 VAL H . . 4.870 4.530 4.463 4.578 . 0 0 "[ . 1 . 2]" 1
1578 1 56 LEU HB2 1 69 LEU MD2 . . 3.490 3.398 3.125 3.497 0.007 17 0 "[ . 1 . 2]" 1
1579 1 56 LEU HB3 1 56 LEU MD1 . . 3.220 2.692 2.596 3.133 . 0 0 "[ . 1 . 2]" 1
1580 1 56 LEU HB3 1 56 LEU QD . . 2.810 2.067 1.989 2.156 . 0 0 "[ . 1 . 2]" 1
1581 1 56 LEU HB3 1 56 LEU MD2 . . 3.220 2.151 2.063 2.225 . 0 0 "[ . 1 . 2]" 1
1582 1 56 LEU HB3 1 57 VAL H . . 4.880 4.259 4.180 4.335 . 0 0 "[ . 1 . 2]" 1
1583 1 56 LEU HB3 1 67 LEU QD . . 4.870 4.133 3.953 4.393 . 0 0 "[ . 1 . 2]" 1
1584 1 56 LEU HB3 1 69 LEU MD2 . . 5.250 4.378 4.163 4.615 . 0 0 "[ . 1 . 2]" 1
1585 1 56 LEU QD 1 57 VAL H . . 3.840 3.431 3.246 3.705 . 0 0 "[ . 1 . 2]" 1
1586 1 56 LEU QD 1 67 LEU QD . . 2.690 1.883 1.703 2.180 . 0 0 "[ . 1 . 2]" 1
1587 1 56 LEU QD 1 67 LEU HG . . 3.860 2.713 2.179 3.448 . 0 0 "[ . 1 . 2]" 1
1588 1 56 LEU QD 1 68 ILE H . . 4.800 4.625 4.395 4.824 0.024 1 0 "[ . 1 . 2]" 1
1589 1 56 LEU QD 1 80 PHE QE . . 3.630 3.112 2.789 3.532 . 0 0 "[ . 1 . 2]" 1
1590 1 56 LEU QD 1 80 PHE HZ . . 4.580 4.052 3.590 4.573 . 0 0 "[ . 1 . 2]" 1
1591 1 56 LEU MD1 1 67 LEU MD1 . . 3.680 2.778 1.882 3.394 . 0 0 "[ . 1 . 2]" 1
1592 1 56 LEU MD1 1 67 LEU MD2 . . 3.680 3.134 1.944 3.555 . 0 0 "[ . 1 . 2]" 1
1593 1 56 LEU MD1 1 80 PHE QE . . 4.670 3.224 2.821 3.688 . 0 0 "[ . 1 . 2]" 1
1594 1 56 LEU MD2 1 67 LEU MD1 . . 3.680 2.296 1.879 3.056 . 0 0 "[ . 1 . 2]" 1
1595 1 56 LEU MD2 1 67 LEU MD2 . . 3.680 2.375 1.774 3.480 . 0 0 "[ . 1 . 2]" 1
1596 1 56 LEU MD2 1 80 PHE QE . . 4.670 4.252 3.587 4.622 . 0 0 "[ . 1 . 2]" 1
1597 1 56 LEU HG 1 57 VAL H . . 4.000 3.585 3.265 3.796 . 0 0 "[ . 1 . 2]" 1
1598 1 56 LEU HG 1 67 LEU MD1 . . 3.880 2.814 1.972 3.394 . 0 0 "[ . 1 . 2]" 1
1599 1 56 LEU HG 1 67 LEU QD . . 3.230 2.094 1.925 2.430 . 0 0 "[ . 1 . 2]" 1
1600 1 56 LEU HG 1 67 LEU MD2 . . 3.880 2.350 1.967 3.341 . 0 0 "[ . 1 . 2]" 1
1601 1 56 LEU HG 1 69 LEU MD2 . . 3.230 2.707 2.223 3.233 0.003 2 0 "[ . 1 . 2]" 1
1602 1 56 LEU HG 1 80 PHE QE . . 5.500 4.312 3.767 5.200 . 0 0 "[ . 1 . 2]" 1
1603 1 57 VAL H 1 57 VAL HB . . 3.670 2.672 2.550 2.754 . 0 0 "[ . 1 . 2]" 1
1604 1 57 VAL H 1 57 VAL MG1 . . 4.060 3.842 3.811 3.859 . 0 0 "[ . 1 . 2]" 1
1605 1 57 VAL H 1 57 VAL QG . . 3.060 2.462 2.336 2.616 . 0 0 "[ . 1 . 2]" 1
1606 1 57 VAL H 1 57 VAL MG2 . . 4.060 2.492 2.356 2.664 . 0 0 "[ . 1 . 2]" 1
1607 1 57 VAL H 1 58 VAL H . . 4.750 4.470 4.414 4.552 . 0 0 "[ . 1 . 2]" 1
1608 1 57 VAL H 1 67 LEU HA . . 5.500 5.239 4.917 5.448 . 0 0 "[ . 1 . 2]" 1
1609 1 57 VAL H 1 67 LEU MD1 . . 5.200 4.703 2.901 5.201 0.001 2 0 "[ . 1 . 2]" 1
1610 1 57 VAL H 1 67 LEU QD . . 4.320 2.876 2.579 3.121 . 0 0 "[ . 1 . 2]" 1
1611 1 57 VAL H 1 67 LEU MD2 . . 5.200 3.186 2.587 4.741 . 0 0 "[ . 1 . 2]" 1
1612 1 57 VAL H 1 68 ILE H . . 3.870 3.795 3.625 3.882 0.012 1 0 "[ . 1 . 2]" 1
1613 1 57 VAL H 1 68 ILE HB . . 4.390 4.033 3.886 4.175 . 0 0 "[ . 1 . 2]" 1
1614 1 57 VAL H 1 69 LEU HA . . 4.230 3.363 3.134 3.656 . 0 0 "[ . 1 . 2]" 1
1615 1 57 VAL H 1 69 LEU MD2 . . 4.260 3.305 2.855 3.830 . 0 0 "[ . 1 . 2]" 1
1616 1 57 VAL H 1 70 PRO HD2 . . 4.600 4.068 3.879 4.446 . 0 0 "[ . 1 . 2]" 1
1617 1 57 VAL H 1 70 PRO HD3 . . 4.280 3.603 3.407 3.957 . 0 0 "[ . 1 . 2]" 1
1618 1 57 VAL HA 1 57 VAL MG1 . . 3.140 2.285 2.140 2.438 . 0 0 "[ . 1 . 2]" 1
1619 1 57 VAL HA 1 57 VAL QG . . 2.700 2.086 2.016 2.138 . 0 0 "[ . 1 . 2]" 1
1620 1 57 VAL HA 1 57 VAL MG2 . . 3.140 2.421 2.303 2.493 . 0 0 "[ . 1 . 2]" 1
1621 1 57 VAL HA 1 58 VAL H . . 2.640 2.174 2.147 2.286 . 0 0 "[ . 1 . 2]" 1
1622 1 57 VAL HA 1 58 VAL HB . . 4.740 4.596 4.200 4.744 0.004 15 0 "[ . 1 . 2]" 1
1623 1 57 VAL HA 1 58 VAL QG . . 4.330 3.565 3.243 3.854 . 0 0 "[ . 1 . 2]" 1
1624 1 57 VAL HA 1 67 LEU QD . . 5.440 4.407 4.081 4.822 . 0 0 "[ . 1 . 2]" 1
1625 1 57 VAL HA 1 68 ILE HB . . 5.500 4.891 4.676 4.982 . 0 0 "[ . 1 . 2]" 1
1626 1 57 VAL HB 1 58 VAL H . . 4.660 3.999 3.780 4.171 . 0 0 "[ . 1 . 2]" 1
1627 1 57 VAL HB 1 68 ILE H . . 4.820 3.142 2.898 3.380 . 0 0 "[ . 1 . 2]" 1
1628 1 57 VAL HB 1 68 ILE HB . . 3.070 2.045 1.997 2.140 . 0 0 "[ . 1 . 2]" 1
1629 1 57 VAL HB 1 68 ILE MD . . 4.440 3.536 3.335 3.738 . 0 0 "[ . 1 . 2]" 1
1630 1 57 VAL HB 1 68 ILE MG . . 4.260 2.752 2.408 3.034 . 0 0 "[ . 1 . 2]" 1
1631 1 57 VAL QG 1 58 VAL H . . 2.980 2.327 1.951 2.566 . 0 0 "[ . 1 . 2]" 1
1632 1 57 VAL QG 1 59 LYS H . . 4.310 3.978 3.491 4.242 . 0 0 "[ . 1 . 2]" 1
1633 1 57 VAL QG 1 59 LYS HB2 . . 5.250 4.805 4.402 5.122 . 0 0 "[ . 1 . 2]" 1
1634 1 57 VAL QG 1 59 LYS QD . . 3.810 3.200 1.748 3.726 . 0 0 "[ . 1 . 2]" 1
1635 1 57 VAL QG 1 59 LYS QE . . 3.060 2.313 1.856 3.077 0.017 11 0 "[ . 1 . 2]" 1
1636 1 57 VAL QG 1 59 LYS QG . . 2.980 2.634 2.267 3.001 0.021 11 0 "[ . 1 . 2]" 1
1637 1 57 VAL QG 1 67 LEU HA . . 5.440 4.820 4.444 5.147 . 0 0 "[ . 1 . 2]" 1
1638 1 57 VAL QG 1 68 ILE H . . 3.980 3.683 3.281 3.932 . 0 0 "[ . 1 . 2]" 1
1639 1 57 VAL QG 1 68 ILE HB . . 3.240 2.760 2.377 2.922 . 0 0 "[ . 1 . 2]" 1
1640 1 57 VAL QG 1 68 ILE MD . . 3.050 2.945 2.524 3.065 0.015 14 0 "[ . 1 . 2]" 1
1641 1 57 VAL QG 1 68 ILE MG . . 3.610 2.590 2.319 2.822 . 0 0 "[ . 1 . 2]" 1
1642 1 57 VAL QG 1 69 LEU H . . 4.660 4.617 4.487 4.675 0.015 6 0 "[ . 1 . 2]" 1
1643 1 57 VAL QG 1 69 LEU HA . . 4.660 3.625 3.461 3.789 . 0 0 "[ . 1 . 2]" 1
1644 1 57 VAL QG 1 70 PRO HB3 . . 4.670 4.024 3.808 4.359 . 0 0 "[ . 1 . 2]" 1
1645 1 57 VAL QG 1 70 PRO HD2 . . 4.290 3.709 3.523 3.867 . 0 0 "[ . 1 . 2]" 1
1646 1 57 VAL QG 1 70 PRO HD3 . . 3.630 2.389 2.158 2.647 . 0 0 "[ . 1 . 2]" 1
1647 1 57 VAL QG 1 70 PRO HG3 . . 4.080 3.478 3.249 3.798 . 0 0 "[ . 1 . 2]" 1
1648 1 57 VAL MG1 1 58 VAL H . . 4.240 2.341 1.957 2.590 . 0 0 "[ . 1 . 2]" 1
1649 1 57 VAL MG1 1 68 ILE HB . . 4.010 2.944 2.419 3.267 . 0 0 "[ . 1 . 2]" 1
1650 1 57 VAL MG2 1 58 VAL H . . 4.240 4.112 3.877 4.201 . 0 0 "[ . 1 . 2]" 1
1651 1 57 VAL MG2 1 68 ILE HB . . 4.010 3.427 3.161 3.593 . 0 0 "[ . 1 . 2]" 1
1652 1 58 VAL H 1 58 VAL HB . . 3.150 2.711 2.591 3.213 0.063 6 0 "[ . 1 . 2]" 1
1653 1 58 VAL H 1 58 VAL MG1 . . 4.020 3.804 2.588 3.932 . 0 0 "[ . 1 . 2]" 1
1654 1 58 VAL H 1 58 VAL QG . . 3.230 2.701 2.474 2.864 . 0 0 "[ . 1 . 2]" 1
1655 1 58 VAL H 1 58 VAL MG2 . . 4.020 2.832 2.501 4.033 0.013 6 0 "[ . 1 . 2]" 1
1656 1 58 VAL HA 1 67 LEU QD . . 4.490 3.489 2.390 4.134 . 0 0 "[ . 1 . 2]" 1
1657 1 58 VAL HB 1 59 LYS H . . 4.570 4.316 4.191 4.413 . 0 0 "[ . 1 . 2]" 1
1658 1 58 VAL QG 1 59 LYS H . . 3.300 2.780 2.517 3.068 . 0 0 "[ . 1 . 2]" 1
1659 1 58 VAL QG 1 66 ARG H . . 4.830 4.006 2.943 4.472 . 0 0 "[ . 1 . 2]" 1
1660 1 58 VAL QG 1 67 LEU HA . . 3.720 3.173 2.177 3.530 . 0 0 "[ . 1 . 2]" 1
1661 1 58 VAL QG 1 67 LEU HB2 . . 4.410 3.673 2.365 4.214 . 0 0 "[ . 1 . 2]" 1
1662 1 58 VAL QG 1 67 LEU QD . . 3.080 2.429 1.702 2.938 . 0 0 "[ . 1 . 2]" 1
1663 1 58 VAL MG1 1 59 LYS H . . 4.290 2.886 2.545 3.717 . 0 0 "[ . 1 . 2]" 1
1664 1 58 VAL MG1 1 67 LEU HA . . 4.250 3.783 3.535 4.276 0.026 6 0 "[ . 1 . 2]" 1
1665 1 58 VAL MG1 1 67 LEU HB2 . . 5.040 4.377 4.041 4.998 . 0 0 "[ . 1 . 2]" 1
1666 1 58 VAL MG1 1 67 LEU MD1 . . 4.960 4.071 3.698 4.402 . 0 0 "[ . 1 . 2]" 1
1667 1 58 VAL MG1 1 67 LEU MD2 . . 4.960 4.305 2.360 4.968 0.008 6 0 "[ . 1 . 2]" 1
1668 1 58 VAL MG2 1 59 LYS H . . 4.290 4.067 2.560 4.281 . 0 0 "[ . 1 . 2]" 1
1669 1 58 VAL MG2 1 67 LEU HA . . 4.250 3.455 2.184 4.014 . 0 0 "[ . 1 . 2]" 1
1670 1 58 VAL MG2 1 67 LEU HB2 . . 5.040 4.010 2.369 4.785 . 0 0 "[ . 1 . 2]" 1
1671 1 58 VAL MG2 1 67 LEU MD1 . . 4.960 2.885 2.519 3.321 . 0 0 "[ . 1 . 2]" 1
1672 1 58 VAL MG2 1 67 LEU MD2 . . 4.960 2.916 1.747 3.918 . 0 0 "[ . 1 . 2]" 1
1673 1 59 LYS H 1 59 LYS HB2 . . 3.520 2.563 2.464 2.763 . 0 0 "[ . 1 . 2]" 1
1674 1 59 LYS H 1 59 LYS HB3 . . 3.810 3.688 3.658 3.777 . 0 0 "[ . 1 . 2]" 1
1675 1 59 LYS H 1 59 LYS QG . . 3.880 2.522 2.109 2.700 . 0 0 "[ . 1 . 2]" 1
1676 1 59 LYS H 1 66 ARG H . . 3.980 3.681 3.366 3.933 . 0 0 "[ . 1 . 2]" 1
1677 1 59 LYS H 1 67 LEU HA . . 4.020 3.383 3.044 3.768 . 0 0 "[ . 1 . 2]" 1
1678 1 59 LYS H 1 68 ILE MD . . 4.650 4.176 3.921 4.446 . 0 0 "[ . 1 . 2]" 1
1679 1 59 LYS HA 1 59 LYS HD2 . . 4.140 3.345 2.033 4.164 0.024 19 0 "[ . 1 . 2]" 1
1680 1 59 LYS HA 1 59 LYS HD3 . . 4.140 2.590 2.128 3.696 . 0 0 "[ . 1 . 2]" 1
1681 1 59 LYS HA 1 59 LYS QG . . 3.640 2.816 2.695 3.149 . 0 0 "[ . 1 . 2]" 1
1682 1 59 LYS HA 1 60 MET QB . . 4.550 3.963 3.839 4.020 . 0 0 "[ . 1 . 2]" 1
1683 1 59 LYS HB2 1 60 MET H . . 4.250 3.866 3.330 4.159 . 0 0 "[ . 1 . 2]" 1
1684 1 59 LYS HB2 1 66 ARG H . . 4.010 3.624 2.913 3.999 . 0 0 "[ . 1 . 2]" 1
1685 1 59 LYS HB2 1 66 ARG QD . . 5.500 3.463 2.740 4.117 . 0 0 "[ . 1 . 2]" 1
1686 1 59 LYS HB2 1 68 ILE MD . . 4.280 3.616 3.233 4.023 . 0 0 "[ . 1 . 2]" 1
1687 1 59 LYS HB3 1 59 LYS QE . . 4.330 3.746 2.367 4.090 . 0 0 "[ . 1 . 2]" 1
1688 1 59 LYS HB3 1 60 MET H . . 3.710 2.868 2.346 3.201 . 0 0 "[ . 1 . 2]" 1
1689 1 59 LYS HB3 1 66 ARG H . . 5.340 4.926 4.250 5.330 . 0 0 "[ . 1 . 2]" 1
1690 1 59 LYS HB3 1 66 ARG QD . . 5.500 4.542 3.675 5.140 . 0 0 "[ . 1 . 2]" 1
1691 1 59 LYS HB3 1 68 ILE MD . . 4.720 4.330 3.929 4.724 0.004 6 0 "[ . 1 . 2]" 1
1692 1 59 LYS QD 1 68 ILE MD . . 3.850 3.606 2.528 3.853 0.003 17 0 "[ . 1 . 2]" 1
1693 1 59 LYS QE 1 59 LYS QG . . 3.380 2.185 2.050 2.538 . 0 0 "[ . 1 . 2]" 1
1694 1 59 LYS QE 1 68 ILE MD . . 3.500 2.906 2.408 3.509 0.009 11 0 "[ . 1 . 2]" 1
1695 1 59 LYS HE2 1 68 ILE MD . . 4.120 3.494 2.647 4.120 0.000 7 0 "[ . 1 . 2]" 1
1696 1 59 LYS HE3 1 68 ILE MD . . 4.120 3.405 2.432 4.124 0.004 5 0 "[ . 1 . 2]" 1
1697 1 59 LYS QG 1 60 MET H . . 4.770 4.473 4.285 4.742 . 0 0 "[ . 1 . 2]" 1
1698 1 59 LYS QG 1 68 ILE MD . . 3.430 2.088 1.822 2.303 . 0 0 "[ . 1 . 2]" 1
1699 1 60 MET H 1 60 MET HB2 . . 3.860 3.229 2.949 3.417 . 0 0 "[ . 1 . 2]" 1
1700 1 60 MET H 1 60 MET QB . . 3.380 2.565 2.329 2.760 . 0 0 "[ . 1 . 2]" 1
1701 1 60 MET H 1 60 MET HB3 . . 3.860 2.708 2.378 3.086 . 0 0 "[ . 1 . 2]" 1
1702 1 60 MET H 1 60 MET ME . . 5.310 5.188 4.676 5.311 0.001 5 0 "[ . 1 . 2]" 1
1703 1 60 MET HA 1 60 MET HG2 . . 3.820 2.952 2.563 3.382 . 0 0 "[ . 1 . 2]" 1
1704 1 60 MET HA 1 60 MET QG . . 3.350 2.525 2.277 2.756 . 0 0 "[ . 1 . 2]" 1
1705 1 60 MET HA 1 60 MET HG3 . . 3.820 2.837 2.347 3.706 . 0 0 "[ . 1 . 2]" 1
1706 1 60 MET HA 1 61 ASP H . . 2.960 2.193 2.141 2.436 . 0 0 "[ . 1 . 2]" 1
1707 1 60 MET HA 1 65 HIS HA . . 3.300 2.827 2.426 3.148 . 0 0 "[ . 1 . 2]" 1
1708 1 60 MET HA 1 66 ARG H . . 4.300 3.899 3.431 4.257 . 0 0 "[ . 1 . 2]" 1
1709 1 60 MET QB 1 61 ASP H . . 4.220 3.765 3.202 3.964 . 0 0 "[ . 1 . 2]" 1
1710 1 60 MET QB 1 65 HIS HA . . 4.870 4.356 3.481 4.768 . 0 0 "[ . 1 . 2]" 1
1711 1 60 MET QB 1 65 HIS HE1 . . 4.620 3.760 3.340 4.370 . 0 0 "[ . 1 . 2]" 1
1712 1 60 MET HB2 1 61 ASP H . . 4.900 4.220 3.434 4.550 . 0 0 "[ . 1 . 2]" 1
1713 1 60 MET HB3 1 61 ASP H . . 4.900 4.245 3.826 4.480 . 0 0 "[ . 1 . 2]" 1
1714 1 60 MET ME 1 60 MET HG2 . . 3.800 2.265 1.993 3.186 . 0 0 "[ . 1 . 2]" 1
1715 1 60 MET ME 1 60 MET QG . . 3.330 2.118 1.971 2.362 . 0 0 "[ . 1 . 2]" 1
1716 1 60 MET ME 1 60 MET HG3 . . 3.800 3.004 2.002 3.391 . 0 0 "[ . 1 . 2]" 1
1717 1 60 MET ME 1 62 GLY H . . 4.850 3.673 2.769 4.846 . 0 0 "[ . 1 . 2]" 1
1718 1 60 MET ME 1 65 HIS HE1 . . 4.300 3.935 3.231 4.278 . 0 0 "[ . 1 . 2]" 1
1719 1 60 MET QG 1 61 ASP H . . 3.690 2.845 1.822 3.360 . 0 0 "[ . 1 . 2]" 1
1720 1 60 MET QG 1 62 GLY H . . 4.580 3.631 2.013 4.593 0.013 13 0 "[ . 1 . 2]" 1
1721 1 60 MET QG 1 65 HIS HE1 . . 3.770 2.447 1.988 3.198 . 0 0 "[ . 1 . 2]" 1
1722 1 60 MET HG2 1 61 ASP H . . 4.210 3.060 2.240 3.931 . 0 0 "[ . 1 . 2]" 1
1723 1 60 MET HG2 1 65 HIS HE1 . . 4.510 3.887 2.925 4.430 . 0 0 "[ . 1 . 2]" 1
1724 1 60 MET HG3 1 61 ASP H . . 4.210 3.583 1.898 4.213 0.003 10 0 "[ . 1 . 2]" 1
1725 1 60 MET HG3 1 65 HIS HE1 . . 4.510 2.477 2.000 3.281 . 0 0 "[ . 1 . 2]" 1
1726 1 61 ASP H 1 61 ASP HB2 . . 3.820 2.687 2.307 3.275 . 0 0 "[ . 1 . 2]" 1
1727 1 61 ASP H 1 61 ASP HB3 . . 3.820 3.385 2.621 3.827 0.007 12 0 "[ . 1 . 2]" 1
1728 1 61 ASP H 1 62 GLY H . . 4.470 3.913 3.003 4.374 . 0 0 "[ . 1 . 2]" 1
1729 1 61 ASP H 1 64 LYS H . . 4.110 3.348 2.843 4.068 . 0 0 "[ . 1 . 2]" 1
1730 1 61 ASP H 1 64 LYS HB2 . . 5.050 3.481 2.249 4.329 . 0 0 "[ . 1 . 2]" 1
1731 1 61 ASP H 1 64 LYS HB3 . . 5.500 4.379 3.392 5.186 . 0 0 "[ . 1 . 2]" 1
1732 1 61 ASP H 1 65 HIS HA . . 4.180 3.582 2.992 4.016 . 0 0 "[ . 1 . 2]" 1
1733 1 61 ASP QB 1 62 GLY H . . 4.060 3.566 2.651 4.042 . 0 0 "[ . 1 . 2]" 1
1734 1 61 ASP QB 1 64 LYS H . . 4.310 3.773 3.191 4.275 . 0 0 "[ . 1 . 2]" 1
1735 1 61 ASP QB 1 64 LYS HB2 . . 3.740 2.286 1.986 3.152 . 0 0 "[ . 1 . 2]" 1
1736 1 61 ASP QB 1 64 LYS HB3 . . 4.400 3.350 2.759 4.139 . 0 0 "[ . 1 . 2]" 1
1737 1 61 ASP HB2 1 62 GLY H . . 4.620 4.443 3.941 4.654 0.034 15 0 "[ . 1 . 2]" 1
1738 1 61 ASP HB2 1 64 LYS H . . 4.900 4.538 3.915 4.909 0.009 13 0 "[ . 1 . 2]" 1
1739 1 61 ASP HB2 1 64 LYS HB2 . . 4.350 2.942 2.051 3.878 . 0 0 "[ . 1 . 2]" 1
1740 1 61 ASP HB2 1 64 LYS HB3 . . 5.170 3.869 2.904 4.917 . 0 0 "[ . 1 . 2]" 1
1741 1 61 ASP HB3 1 62 GLY H . . 4.620 3.800 2.690 4.443 . 0 0 "[ . 1 . 2]" 1
1742 1 61 ASP HB3 1 64 LYS H . . 4.900 4.194 3.234 4.929 0.029 14 0 "[ . 1 . 2]" 1
1743 1 61 ASP HB3 1 64 LYS HB2 . . 4.350 2.661 1.996 3.743 . 0 0 "[ . 1 . 2]" 1
1744 1 61 ASP HB3 1 64 LYS HB3 . . 5.170 4.022 2.803 5.167 . 0 0 "[ . 1 . 2]" 1
1745 1 62 GLY H 1 64 LYS H . . 5.190 4.357 3.706 4.733 . 0 0 "[ . 1 . 2]" 1
1746 1 62 GLY QA 1 64 LYS H . . 3.960 3.720 3.542 3.868 . 0 0 "[ . 1 . 2]" 1
1747 1 62 GLY HA2 1 64 LYS H . . 4.790 4.317 3.858 4.722 . 0 0 "[ . 1 . 2]" 1
1748 1 62 GLY HA3 1 64 LYS H . . 4.790 4.176 3.701 4.796 0.006 1 0 "[ . 1 . 2]" 1
1749 1 63 ARG H 1 64 LYS H . . 4.160 2.746 2.176 3.160 . 0 0 "[ . 1 . 2]" 1
1750 1 63 ARG HA 1 63 ARG QD . . 4.760 4.133 3.928 4.346 . 0 0 "[ . 1 . 2]" 1
1751 1 63 ARG HA 1 63 ARG HG2 . . 3.870 3.108 2.418 3.851 . 0 0 "[ . 1 . 2]" 1
1752 1 63 ARG HA 1 63 ARG QG . . 3.260 2.808 2.319 3.338 0.078 7 0 "[ . 1 . 2]" 1
1753 1 63 ARG HA 1 63 ARG HG3 . . 3.870 3.253 2.610 3.731 . 0 0 "[ . 1 . 2]" 1
1754 1 63 ARG QB 1 63 ARG QD . . 3.270 2.108 1.991 2.295 . 0 0 "[ . 1 . 2]" 1
1755 1 63 ARG QB 1 64 LYS H . . 4.290 3.850 3.044 4.035 . 0 0 "[ . 1 . 2]" 1
1756 1 63 ARG HB2 1 63 ARG QD . . 3.750 2.320 2.046 2.992 . 0 0 "[ . 1 . 2]" 1
1757 1 63 ARG HB2 1 64 LYS H . . 5.010 4.206 3.131 4.431 . 0 0 "[ . 1 . 2]" 1
1758 1 63 ARG HB3 1 63 ARG QD . . 3.750 2.557 2.257 2.996 . 0 0 "[ . 1 . 2]" 1
1759 1 63 ARG HB3 1 64 LYS H . . 5.010 4.487 4.147 4.663 . 0 0 "[ . 1 . 2]" 1
1760 1 63 ARG QG 1 64 LYS H . . 4.850 4.127 3.111 4.565 . 0 0 "[ . 1 . 2]" 1
1761 1 64 LYS H 1 64 LYS HB2 . . 3.030 2.725 2.230 2.942 . 0 0 "[ . 1 . 2]" 1
1762 1 64 LYS H 1 64 LYS HB3 . . 3.970 3.814 3.495 3.940 . 0 0 "[ . 1 . 2]" 1
1763 1 64 LYS H 1 64 LYS HG2 . . 4.520 4.095 3.879 4.386 . 0 0 "[ . 1 . 2]" 1
1764 1 64 LYS H 1 64 LYS HG3 . . 3.500 3.388 3.077 3.503 0.003 13 0 "[ . 1 . 2]" 1
1765 1 64 LYS H 1 65 HIS H . . 4.500 4.081 3.919 4.447 . 0 0 "[ . 1 . 2]" 1
1766 1 64 LYS HA 1 64 LYS HG2 . . 3.520 2.401 2.169 2.553 . 0 0 "[ . 1 . 2]" 1
1767 1 64 LYS HA 1 65 HIS H . . 2.900 2.148 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
1768 1 64 LYS HB2 1 64 LYS HD2 . . 3.960 3.024 2.522 3.722 . 0 0 "[ . 1 . 2]" 1
1769 1 64 LYS HB2 1 64 LYS HD3 . . 3.960 2.953 2.411 3.950 . 0 0 "[ . 1 . 2]" 1
1770 1 64 LYS HB2 1 64 LYS QE . . 5.010 3.893 2.719 4.244 . 0 0 "[ . 1 . 2]" 1
1771 1 64 LYS HB2 1 65 HIS H . . 4.500 4.383 4.270 4.523 0.023 16 0 "[ . 1 . 2]" 1
1772 1 64 LYS HB3 1 65 HIS H . . 4.300 3.563 3.372 3.837 . 0 0 "[ . 1 . 2]" 1
1773 1 64 LYS QE 1 64 LYS HG2 . . 3.250 2.346 2.074 3.263 0.013 15 0 "[ . 1 . 2]" 1
1774 1 64 LYS HG2 1 65 HIS H . . 4.890 4.336 3.843 4.632 . 0 0 "[ . 1 . 2]" 1
1775 1 65 HIS H 1 65 HIS HB2 . . 3.970 2.628 2.438 2.793 . 0 0 "[ . 1 . 2]" 1
1776 1 65 HIS H 1 65 HIS QB . . 3.370 2.580 2.404 2.732 . 0 0 "[ . 1 . 2]" 1
1777 1 65 HIS H 1 65 HIS HB3 . . 3.970 3.766 3.657 3.867 . 0 0 "[ . 1 . 2]" 1
1778 1 65 HIS H 1 65 HIS HD2 . . 4.260 2.884 2.495 3.264 . 0 0 "[ . 1 . 2]" 1
1779 1 65 HIS H 1 66 ARG H . . 5.000 4.311 4.098 4.472 . 0 0 "[ . 1 . 2]" 1
1780 1 65 HIS HA 1 66 ARG H . . 2.830 2.164 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
1781 1 65 HIS QB 1 66 ARG H . . 3.790 3.205 2.903 3.534 . 0 0 "[ . 1 . 2]" 1
1782 1 65 HIS HB2 1 66 ARG H . . 4.430 4.217 3.966 4.416 . 0 0 "[ . 1 . 2]" 1
1783 1 65 HIS HB3 1 66 ARG H . . 4.430 3.325 2.974 3.730 . 0 0 "[ . 1 . 2]" 1
1784 1 66 ARG H 1 66 ARG HB2 . . 3.950 3.796 3.669 3.902 . 0 0 "[ . 1 . 2]" 1
1785 1 66 ARG H 1 66 ARG QB . . 3.400 3.182 3.053 3.271 . 0 0 "[ . 1 . 2]" 1
1786 1 66 ARG H 1 66 ARG HB3 . . 3.950 3.419 3.248 3.574 . 0 0 "[ . 1 . 2]" 1
1787 1 66 ARG H 1 66 ARG HG2 . . 4.500 2.678 2.183 2.971 . 0 0 "[ . 1 . 2]" 1
1788 1 66 ARG H 1 66 ARG HG3 . . 4.500 2.558 2.161 3.141 . 0 0 "[ . 1 . 2]" 1
1789 1 66 ARG H 1 67 LEU H . . 4.620 4.385 4.288 4.482 . 0 0 "[ . 1 . 2]" 1
1790 1 66 ARG HA 1 66 ARG QD . . 4.530 4.313 4.218 4.624 0.094 18 0 "[ . 1 . 2]" 1
1791 1 66 ARG HA 1 66 ARG HG2 . . 4.210 3.780 3.678 3.876 . 0 0 "[ . 1 . 2]" 1
1792 1 66 ARG HA 1 66 ARG QG . . 3.590 3.322 3.273 3.340 . 0 0 "[ . 1 . 2]" 1
1793 1 66 ARG HA 1 66 ARG HG3 . . 4.210 3.685 3.630 3.829 . 0 0 "[ . 1 . 2]" 1
1794 1 66 ARG HA 1 67 LEU H . . 2.900 2.271 2.205 2.483 . 0 0 "[ . 1 . 2]" 1
1795 1 66 ARG HA 1 67 LEU HA . . 4.660 4.392 4.379 4.447 . 0 0 "[ . 1 . 2]" 1
1796 1 66 ARG QB 1 66 ARG QD . . 3.190 2.112 2.040 2.553 . 0 0 "[ . 1 . 2]" 1
1797 1 66 ARG QB 1 67 LEU H . . 3.510 2.736 2.237 2.934 . 0 0 "[ . 1 . 2]" 1
1798 1 66 ARG HB2 1 66 ARG QD . . 3.680 2.220 2.108 3.137 . 0 0 "[ . 1 . 2]" 1
1799 1 66 ARG HB2 1 67 LEU H . . 4.040 2.807 2.258 3.032 . 0 0 "[ . 1 . 2]" 1
1800 1 66 ARG HB3 1 66 ARG QD . . 3.680 2.728 2.557 2.899 . 0 0 "[ . 1 . 2]" 1
1801 1 66 ARG HB3 1 67 LEU H . . 4.040 3.817 3.630 3.941 . 0 0 "[ . 1 . 2]" 1
1802 1 66 ARG QD 1 67 LEU H . . 4.930 4.606 4.177 4.941 0.011 18 0 "[ . 1 . 2]" 1
1803 1 66 ARG QD 1 68 ILE MD . . 4.150 2.992 2.557 3.501 . 0 0 "[ . 1 . 2]" 1
1804 1 66 ARG QD 1 68 ILE HG12 . . 4.810 4.224 3.870 4.720 . 0 0 "[ . 1 . 2]" 1
1805 1 66 ARG QD 1 68 ILE HG13 . . 4.250 3.271 2.816 3.822 . 0 0 "[ . 1 . 2]" 1
1806 1 66 ARG QG 1 67 LEU H . . 5.240 4.119 3.510 4.366 . 0 0 "[ . 1 . 2]" 1
1807 1 66 ARG QG 1 68 ILE HG13 . . 4.710 4.123 3.311 4.498 . 0 0 "[ . 1 . 2]" 1
1808 1 67 LEU H 1 67 LEU HB2 . . 3.950 2.676 2.566 2.884 . 0 0 "[ . 1 . 2]" 1
1809 1 67 LEU H 1 67 LEU HB3 . . 3.640 2.811 2.662 2.906 . 0 0 "[ . 1 . 2]" 1
1810 1 67 LEU H 1 67 LEU MD1 . . 4.710 4.361 4.052 4.535 . 0 0 "[ . 1 . 2]" 1
1811 1 67 LEU H 1 67 LEU QD . . 4.110 3.794 3.607 3.897 . 0 0 "[ . 1 . 2]" 1
1812 1 67 LEU H 1 67 LEU MD2 . . 4.710 4.175 3.925 4.281 . 0 0 "[ . 1 . 2]" 1
1813 1 67 LEU H 1 67 LEU HG . . 5.020 4.611 4.484 4.903 . 0 0 "[ . 1 . 2]" 1
1814 1 67 LEU H 1 68 ILE H . . 4.940 4.339 4.191 4.455 . 0 0 "[ . 1 . 2]" 1
1815 1 67 LEU HA 1 67 LEU MD1 . . 3.850 3.443 2.203 3.797 . 0 0 "[ . 1 . 2]" 1
1816 1 67 LEU HA 1 67 LEU MD2 . . 3.850 2.718 1.991 3.170 . 0 0 "[ . 1 . 2]" 1
1817 1 67 LEU HA 1 67 LEU HG . . 3.810 2.673 2.354 3.780 . 0 0 "[ . 1 . 2]" 1
1818 1 67 LEU HA 1 68 ILE H . . 2.800 2.146 2.139 2.200 . 0 0 "[ . 1 . 2]" 1
1819 1 67 LEU HA 1 68 ILE MD . . 5.000 4.787 4.497 5.009 0.009 5 0 "[ . 1 . 2]" 1
1820 1 67 LEU HA 1 68 ILE HG13 . . 4.510 4.251 3.986 4.381 . 0 0 "[ . 1 . 2]" 1
1821 1 67 LEU HB2 1 67 LEU MD1 . . 3.550 2.420 2.065 3.192 . 0 0 "[ . 1 . 2]" 1
1822 1 67 LEU HB2 1 67 LEU QD . . 3.000 2.191 2.026 2.310 . 0 0 "[ . 1 . 2]" 1
1823 1 67 LEU HB2 1 67 LEU MD2 . . 3.550 2.987 2.051 3.191 . 0 0 "[ . 1 . 2]" 1
1824 1 67 LEU HB2 1 68 ILE H . . 4.740 4.423 4.278 4.492 . 0 0 "[ . 1 . 2]" 1
1825 1 67 LEU HB3 1 68 ILE H . . 5.010 4.040 3.735 4.254 . 0 0 "[ . 1 . 2]" 1
1826 1 67 LEU QD 1 68 ILE H . . 3.640 2.449 2.034 2.984 . 0 0 "[ . 1 . 2]" 1
1827 1 67 LEU QD 1 69 LEU H . . 4.260 4.152 3.964 4.280 0.020 1 0 "[ . 1 . 2]" 1
1828 1 67 LEU QD 1 69 LEU HA . . 4.780 3.838 3.694 3.983 . 0 0 "[ . 1 . 2]" 1
1829 1 67 LEU QD 1 69 LEU HB2 . . 4.920 4.189 3.854 4.429 . 0 0 "[ . 1 . 2]" 1
1830 1 67 LEU QD 1 69 LEU MD1 . . 3.350 2.862 2.546 3.191 . 0 0 "[ . 1 . 2]" 1
1831 1 67 LEU QD 1 69 LEU MD2 . . 3.160 2.655 2.397 3.018 . 0 0 "[ . 1 . 2]" 1
1832 1 67 LEU QD 1 69 LEU HG . . 3.140 2.297 2.140 2.436 . 0 0 "[ . 1 . 2]" 1
1833 1 67 LEU QD 1 80 PHE HB3 . . 5.440 4.132 3.707 4.935 . 0 0 "[ . 1 . 2]" 1
1834 1 67 LEU QD 1 80 PHE QD . . 3.870 2.576 1.967 3.596 . 0 0 "[ . 1 . 2]" 1
1835 1 67 LEU QD 1 80 PHE QE . . 3.550 2.252 1.755 3.096 . 0 0 "[ . 1 . 2]" 1
1836 1 67 LEU QD 1 80 PHE HZ . . 4.680 3.746 3.071 4.168 . 0 0 "[ . 1 . 2]" 1
1837 1 67 LEU MD1 1 68 ILE H . . 4.800 4.182 2.050 4.796 . 0 0 "[ . 1 . 2]" 1
1838 1 67 LEU MD1 1 80 PHE QD . . 4.540 2.767 1.971 4.474 . 0 0 "[ . 1 . 2]" 1
1839 1 67 LEU MD1 1 80 PHE QE . . 4.300 2.332 1.823 3.357 . 0 0 "[ . 1 . 2]" 1
1840 1 67 LEU MD2 1 68 ILE H . . 4.800 2.731 2.132 3.684 . 0 0 "[ . 1 . 2]" 1
1841 1 67 LEU MD2 1 80 PHE QD . . 4.540 4.167 3.380 4.542 0.002 14 0 "[ . 1 . 2]" 1
1842 1 67 LEU MD2 1 80 PHE QE . . 4.300 3.222 2.288 3.715 . 0 0 "[ . 1 . 2]" 1
1843 1 67 LEU HG 1 68 ILE H . . 4.920 3.753 3.166 4.890 . 0 0 "[ . 1 . 2]" 1
1844 1 67 LEU HG 1 80 PHE QD . . 5.500 4.779 2.667 5.503 0.003 18 0 "[ . 1 . 2]" 1
1845 1 67 LEU HG 1 80 PHE QE . . 5.490 4.348 2.145 5.198 . 0 0 "[ . 1 . 2]" 1
1846 1 68 ILE H 1 68 ILE HB . . 3.300 2.392 2.348 2.548 . 0 0 "[ . 1 . 2]" 1
1847 1 68 ILE H 1 68 ILE MD . . 3.830 3.620 3.484 3.763 . 0 0 "[ . 1 . 2]" 1
1848 1 68 ILE H 1 68 ILE HG12 . . 4.630 4.294 4.144 4.416 . 0 0 "[ . 1 . 2]" 1
1849 1 68 ILE H 1 68 ILE HG13 . . 3.780 3.066 2.907 3.187 . 0 0 "[ . 1 . 2]" 1
1850 1 68 ILE H 1 68 ILE MG . . 4.130 3.686 3.659 3.752 . 0 0 "[ . 1 . 2]" 1
1851 1 68 ILE H 1 69 LEU H . . 4.780 4.548 4.486 4.567 . 0 0 "[ . 1 . 2]" 1
1852 1 68 ILE HB 1 68 ILE MD . . 2.930 2.261 2.100 2.370 . 0 0 "[ . 1 . 2]" 1
1853 1 68 ILE HB 1 69 LEU H . . 4.880 3.971 3.872 4.053 . 0 0 "[ . 1 . 2]" 1
1854 1 68 ILE HB 1 70 PRO HD3 . . 5.500 5.046 4.923 5.134 . 0 0 "[ . 1 . 2]" 1
1855 1 68 ILE HG12 1 68 ILE MG . . 3.360 2.236 2.202 2.272 . 0 0 "[ . 1 . 2]" 1
1856 1 68 ILE HG12 1 69 LEU H . . 4.850 3.828 3.752 3.926 . 0 0 "[ . 1 . 2]" 1
1857 1 68 ILE HG13 1 68 ILE MG . . 3.410 3.158 3.141 3.186 . 0 0 "[ . 1 . 2]" 1
1858 1 68 ILE HG13 1 69 LEU H . . 4.830 4.449 4.366 4.610 . 0 0 "[ . 1 . 2]" 1
1859 1 68 ILE MG 1 69 LEU H . . 3.290 2.026 1.884 2.134 . 0 0 "[ . 1 . 2]" 1
1860 1 68 ILE MG 1 69 LEU HA . . 4.230 3.097 3.042 3.144 . 0 0 "[ . 1 . 2]" 1
1861 1 68 ILE MG 1 70 PRO HA . . 4.140 3.917 3.894 3.965 . 0 0 "[ . 1 . 2]" 1
1862 1 68 ILE MG 1 70 PRO HB2 . . 5.500 5.540 5.524 5.563 0.063 9 0 "[ . 1 . 2]" 1
1863 1 68 ILE MG 1 70 PRO HB3 . . 4.410 4.359 4.335 4.386 . 0 0 "[ . 1 . 2]" 1
1864 1 68 ILE MG 1 70 PRO HD2 . . 4.290 4.177 4.151 4.202 . 0 0 "[ . 1 . 2]" 1
1865 1 68 ILE MG 1 70 PRO HD3 . . 3.600 3.042 2.993 3.089 . 0 0 "[ . 1 . 2]" 1
1866 1 68 ILE MG 1 70 PRO HG2 . . 5.420 5.462 5.441 5.488 0.068 17 0 "[ . 1 . 2]" 1
1867 1 68 ILE MG 1 71 GLU H . . 5.500 5.510 5.485 5.525 0.025 17 0 "[ . 1 . 2]" 1
1868 1 69 LEU H 1 69 LEU HB2 . . 3.490 2.670 2.598 2.709 . 0 0 "[ . 1 . 2]" 1
1869 1 69 LEU H 1 69 LEU HB3 . . 3.780 3.764 3.662 3.804 0.024 8 0 "[ . 1 . 2]" 1
1870 1 69 LEU H 1 69 LEU MD1 . . 4.640 4.158 4.015 4.336 . 0 0 "[ . 1 . 2]" 1
1871 1 69 LEU H 1 69 LEU HG . . 3.890 3.532 3.387 3.814 . 0 0 "[ . 1 . 2]" 1
1872 1 69 LEU H 1 70 PRO HA . . 5.260 4.770 4.725 4.826 . 0 0 "[ . 1 . 2]" 1
1873 1 69 LEU H 1 70 PRO HD3 . . 4.960 4.328 4.288 4.383 . 0 0 "[ . 1 . 2]" 1
1874 1 69 LEU HA 1 69 LEU MD1 . . 4.510 3.861 3.819 3.891 . 0 0 "[ . 1 . 2]" 1
1875 1 69 LEU HA 1 69 LEU MD2 . . 3.110 2.240 1.966 2.396 . 0 0 "[ . 1 . 2]" 1
1876 1 69 LEU HA 1 70 PRO HD2 . . 3.230 1.977 1.971 1.981 . 0 0 "[ . 1 . 2]" 1
1877 1 69 LEU HA 1 70 PRO HD3 . . 3.110 2.324 2.319 2.331 . 0 0 "[ . 1 . 2]" 1
1878 1 69 LEU HA 1 70 PRO HG2 . . 4.530 4.175 4.170 4.179 . 0 0 "[ . 1 . 2]" 1
1879 1 69 LEU HA 1 71 GLU H . . 4.200 3.875 3.848 3.918 . 0 0 "[ . 1 . 2]" 1
1880 1 69 LEU HB2 1 69 LEU MD1 . . 3.400 2.182 2.091 2.306 . 0 0 "[ . 1 . 2]" 1
1881 1 69 LEU HB2 1 72 ALA HA . . 5.200 4.478 4.215 4.820 . 0 0 "[ . 1 . 2]" 1
1882 1 69 LEU HB3 1 69 LEU MD1 . . 3.200 2.521 2.404 2.603 . 0 0 "[ . 1 . 2]" 1
1883 1 69 LEU HB3 1 69 LEU MD2 . . 3.170 2.207 2.114 2.339 . 0 0 "[ . 1 . 2]" 1
1884 1 69 LEU HB3 1 70 PRO HD2 . . 4.990 3.246 3.192 3.372 . 0 0 "[ . 1 . 2]" 1
1885 1 69 LEU HB3 1 70 PRO HD3 . . 4.820 4.418 4.384 4.490 . 0 0 "[ . 1 . 2]" 1
1886 1 69 LEU HB3 1 71 GLU H . . 3.960 3.317 3.244 3.382 . 0 0 "[ . 1 . 2]" 1
1887 1 69 LEU HB3 1 72 ALA H . . 5.500 4.427 3.892 4.904 . 0 0 "[ . 1 . 2]" 1
1888 1 69 LEU HB3 1 72 ALA HA . . 4.350 3.519 3.229 3.748 . 0 0 "[ . 1 . 2]" 1
1889 1 69 LEU MD1 1 71 GLU H . . 5.500 5.141 4.980 5.282 . 0 0 "[ . 1 . 2]" 1
1890 1 69 LEU MD1 1 72 ALA HA . . 3.970 3.380 3.012 3.713 . 0 0 "[ . 1 . 2]" 1
1891 1 69 LEU MD1 1 73 LYS H . . 4.950 4.548 4.199 4.813 . 0 0 "[ . 1 . 2]" 1
1892 1 69 LEU MD1 1 76 ASP H . . 5.500 5.451 5.319 5.503 0.003 14 0 "[ . 1 . 2]" 1
1893 1 69 LEU MD1 1 76 ASP HA . . 4.590 4.363 3.976 4.595 0.005 3 0 "[ . 1 . 2]" 1
1894 1 69 LEU MD1 1 76 ASP HB2 . . 3.860 3.595 3.241 3.842 . 0 0 "[ . 1 . 2]" 1
1895 1 69 LEU MD1 1 76 ASP QB . . 3.220 2.635 2.372 3.207 . 0 0 "[ . 1 . 2]" 1
1896 1 69 LEU MD1 1 76 ASP HB3 . . 3.860 2.798 2.398 3.852 . 0 0 "[ . 1 . 2]" 1
1897 1 69 LEU MD1 1 80 PHE QE . . 4.340 3.404 3.117 3.561 . 0 0 "[ . 1 . 2]" 1
1898 1 69 LEU MD1 1 80 PHE HZ . . 4.210 2.825 2.447 3.090 . 0 0 "[ . 1 . 2]" 1
1899 1 69 LEU MD2 1 70 PRO HD2 . . 3.620 2.539 2.120 2.782 . 0 0 "[ . 1 . 2]" 1
1900 1 69 LEU MD2 1 70 PRO HD3 . . 4.240 3.695 3.480 3.856 . 0 0 "[ . 1 . 2]" 1
1901 1 69 LEU MD2 1 71 GLU H . . 4.410 3.715 3.193 3.943 . 0 0 "[ . 1 . 2]" 1
1902 1 69 LEU MD2 1 72 ALA HA . . 4.330 4.099 3.567 4.321 . 0 0 "[ . 1 . 2]" 1
1903 1 69 LEU MD2 1 73 LYS H . . 5.180 4.773 4.233 5.092 . 0 0 "[ . 1 . 2]" 1
1904 1 69 LEU MD2 1 76 ASP QB . . 3.950 3.645 3.361 3.924 . 0 0 "[ . 1 . 2]" 1
1905 1 69 LEU MD2 1 80 PHE QE . . 4.590 4.258 3.883 4.592 0.002 12 0 "[ . 1 . 2]" 1
1906 1 69 LEU MD2 1 80 PHE HZ . . 4.330 3.983 3.562 4.327 . 0 0 "[ . 1 . 2]" 1
1907 1 70 PRO HB2 1 71 GLU H . . 3.360 3.192 3.142 3.232 . 0 0 "[ . 1 . 2]" 1
1908 1 70 PRO HB3 1 71 GLU H . . 4.060 4.058 4.029 4.081 0.021 10 0 "[ . 1 . 2]" 1
1909 1 70 PRO HD2 1 71 GLU H . . 3.490 2.658 2.652 2.668 . 0 0 "[ . 1 . 2]" 1
1910 1 70 PRO HD3 1 71 GLU H . . 4.250 3.838 3.837 3.840 . 0 0 "[ . 1 . 2]" 1
1911 1 70 PRO HG2 1 71 GLU H . . 4.050 2.202 2.147 2.247 . 0 0 "[ . 1 . 2]" 1
1912 1 70 PRO HG3 1 71 GLU H . . 4.870 3.757 3.715 3.790 . 0 0 "[ . 1 . 2]" 1
1913 1 71 GLU H 1 71 GLU HB2 . . 3.570 2.936 2.793 3.085 . 0 0 "[ . 1 . 2]" 1
1914 1 71 GLU H 1 71 GLU QB . . 3.090 2.617 2.555 2.683 . 0 0 "[ . 1 . 2]" 1
1915 1 71 GLU H 1 71 GLU HB3 . . 3.570 2.946 2.840 3.018 . 0 0 "[ . 1 . 2]" 1
1916 1 71 GLU H 1 71 GLU HG2 . . 4.960 4.660 4.542 4.770 . 0 0 "[ . 1 . 2]" 1
1917 1 71 GLU H 1 71 GLU QG . . 4.360 4.156 4.125 4.191 . 0 0 "[ . 1 . 2]" 1
1918 1 71 GLU H 1 71 GLU HG3 . . 4.960 4.676 4.576 4.830 . 0 0 "[ . 1 . 2]" 1
1919 1 71 GLU H 1 72 ALA HA . . 4.920 4.593 4.457 4.757 . 0 0 "[ . 1 . 2]" 1
1920 1 71 GLU HA 1 71 GLU HG2 . . 3.710 2.812 2.567 3.035 . 0 0 "[ . 1 . 2]" 1
1921 1 71 GLU HA 1 71 GLU QG . . 3.190 2.312 2.199 2.427 . 0 0 "[ . 1 . 2]" 1
1922 1 71 GLU HA 1 71 GLU HG3 . . 3.710 2.483 2.257 2.758 . 0 0 "[ . 1 . 2]" 1
1923 1 71 GLU HA 1 72 ALA H . . 2.700 2.178 2.139 2.266 . 0 0 "[ . 1 . 2]" 1
1924 1 71 GLU HA 1 72 ALA MB . . 4.120 4.020 3.943 4.116 . 0 0 "[ . 1 . 2]" 1
1925 1 71 GLU QB 1 72 ALA H . . 4.070 3.900 3.777 3.999 . 0 0 "[ . 1 . 2]" 1
1926 1 71 GLU HB2 1 72 ALA H . . 4.810 4.553 4.437 4.645 . 0 0 "[ . 1 . 2]" 1
1927 1 71 GLU HB3 1 72 ALA H . . 4.810 4.242 4.062 4.406 . 0 0 "[ . 1 . 2]" 1
1928 1 71 GLU HG2 1 72 ALA H . . 4.460 3.590 2.996 4.161 . 0 0 "[ . 1 . 2]" 1
1929 1 71 GLU HG3 1 72 ALA H . . 4.460 4.043 3.606 4.402 . 0 0 "[ . 1 . 2]" 1
1930 1 72 ALA H 1 72 ALA MB . . 2.780 2.197 2.073 2.294 . 0 0 "[ . 1 . 2]" 1
1931 1 72 ALA H 1 73 LYS H . . 4.470 4.188 3.919 4.350 . 0 0 "[ . 1 . 2]" 1
1932 1 72 ALA H 1 73 LYS QG . . 5.450 4.743 4.438 5.506 0.056 19 0 "[ . 1 . 2]" 1
1933 1 72 ALA H 1 95 VAL MG1 . . 5.160 4.739 4.315 4.916 . 0 0 "[ . 1 . 2]" 1
1934 1 72 ALA HA 1 73 LYS H . . 2.720 2.217 2.161 2.351 . 0 0 "[ . 1 . 2]" 1
1935 1 72 ALA HA 1 73 LYS QB . . 5.330 4.522 4.371 4.735 . 0 0 "[ . 1 . 2]" 1
1936 1 72 ALA HA 1 73 LYS QG . . 4.400 3.980 3.616 4.299 . 0 0 "[ . 1 . 2]" 1
1937 1 72 ALA HA 1 76 ASP HB2 . . 4.970 3.234 2.891 3.632 . 0 0 "[ . 1 . 2]" 1
1938 1 72 ALA HA 1 76 ASP QB . . 4.130 3.017 2.755 3.301 . 0 0 "[ . 1 . 2]" 1
1939 1 72 ALA HA 1 76 ASP HB3 . . 4.970 3.676 3.295 4.242 . 0 0 "[ . 1 . 2]" 1
1940 1 72 ALA HA 1 95 VAL MG1 . . 4.770 4.082 3.780 4.256 . 0 0 "[ . 1 . 2]" 1
1941 1 72 ALA HA 1 95 VAL MG2 . . 4.640 3.596 3.368 3.825 . 0 0 "[ . 1 . 2]" 1
1942 1 72 ALA MB 1 73 LYS H . . 3.570 3.524 3.417 3.660 0.090 19 0 "[ . 1 . 2]" 1
1943 1 72 ALA MB 1 76 ASP QB . . 3.950 3.415 2.982 3.707 . 0 0 "[ . 1 . 2]" 1
1944 1 72 ALA MB 1 95 VAL HB . . 4.590 4.369 4.100 4.591 0.001 15 0 "[ . 1 . 2]" 1
1945 1 72 ALA MB 1 95 VAL MG1 . . 2.920 2.389 1.913 2.807 . 0 0 "[ . 1 . 2]" 1
1946 1 72 ALA MB 1 95 VAL MG2 . . 2.910 2.252 1.892 2.683 . 0 0 "[ . 1 . 2]" 1
1947 1 73 LYS H 1 73 LYS HB2 . . 3.950 2.653 2.350 3.614 . 0 0 "[ . 1 . 2]" 1
1948 1 73 LYS H 1 73 LYS QB . . 3.240 2.501 2.321 2.888 . 0 0 "[ . 1 . 2]" 1
1949 1 73 LYS H 1 73 LYS HB3 . . 3.950 3.529 2.750 3.690 . 0 0 "[ . 1 . 2]" 1
1950 1 73 LYS H 1 73 LYS QD . . 4.600 4.006 3.264 4.539 . 0 0 "[ . 1 . 2]" 1
1951 1 73 LYS H 1 73 LYS QG . . 3.700 2.357 1.850 2.771 . 0 0 "[ . 1 . 2]" 1
1952 1 73 LYS H 1 74 VAL H . . 4.710 4.571 4.472 4.611 . 0 0 "[ . 1 . 2]" 1
1953 1 73 LYS H 1 76 ASP H . . 4.060 3.549 3.276 3.753 . 0 0 "[ . 1 . 2]" 1
1954 1 73 LYS H 1 76 ASP HB2 . . 4.100 2.748 2.377 3.139 . 0 0 "[ . 1 . 2]" 1
1955 1 73 LYS H 1 76 ASP QB . . 3.460 2.671 2.348 3.025 . 0 0 "[ . 1 . 2]" 1
1956 1 73 LYS H 1 76 ASP HB3 . . 4.100 3.798 2.977 4.102 0.002 12 0 "[ . 1 . 2]" 1
1957 1 73 LYS H 1 95 VAL MG1 . . 4.280 4.068 3.653 4.272 . 0 0 "[ . 1 . 2]" 1
1958 1 73 LYS H 1 95 VAL MG2 . . 4.480 3.958 3.676 4.185 . 0 0 "[ . 1 . 2]" 1
1959 1 73 LYS QB 1 73 LYS QD . . 3.420 2.127 2.052 2.200 . 0 0 "[ . 1 . 2]" 1
1960 1 73 LYS QB 1 73 LYS QE . . 3.990 3.279 2.219 3.685 . 0 0 "[ . 1 . 2]" 1
1961 1 73 LYS QB 1 74 VAL H . . 3.100 2.510 1.981 2.805 . 0 0 "[ . 1 . 2]" 1
1962 1 73 LYS QB 1 74 VAL MG2 . . 4.630 4.043 3.682 4.323 . 0 0 "[ . 1 . 2]" 1
1963 1 73 LYS QB 1 75 GLN H . . 3.000 2.560 2.418 2.708 . 0 0 "[ . 1 . 2]" 1
1964 1 73 LYS QB 1 76 ASP H . . 3.840 2.908 2.680 3.559 . 0 0 "[ . 1 . 2]" 1
1965 1 73 LYS HB2 1 73 LYS QE . . 4.850 3.639 2.313 4.352 . 0 0 "[ . 1 . 2]" 1
1966 1 73 LYS HB2 1 74 VAL H . . 3.960 3.516 2.702 3.930 . 0 0 "[ . 1 . 2]" 1
1967 1 73 LYS HB2 1 75 GLN QG . . 4.700 4.040 3.078 4.585 . 0 0 "[ . 1 . 2]" 1
1968 1 73 LYS HB2 1 76 ASP H . . 4.450 2.989 2.742 3.749 . 0 0 "[ . 1 . 2]" 1
1969 1 73 LYS HB3 1 73 LYS QE . . 4.850 3.852 2.855 4.263 . 0 0 "[ . 1 . 2]" 1
1970 1 73 LYS HB3 1 74 VAL H . . 3.960 2.711 2.003 3.944 . 0 0 "[ . 1 . 2]" 1
1971 1 73 LYS HB3 1 75 GLN QG . . 4.700 3.947 3.316 4.698 . 0 0 "[ . 1 . 2]" 1
1972 1 73 LYS HB3 1 76 ASP H . . 4.450 4.008 3.657 4.528 0.078 7 0 "[ . 1 . 2]" 1
1973 1 73 LYS QD 1 75 GLN QG . . 4.810 4.204 2.905 4.730 . 0 0 "[ . 1 . 2]" 1
1974 1 73 LYS QE 1 73 LYS QG . . 3.260 2.220 2.070 2.552 . 0 0 "[ . 1 . 2]" 1
1975 1 73 LYS QG 1 74 VAL H . . 4.750 3.958 3.606 4.200 . 0 0 "[ . 1 . 2]" 1
1976 1 73 LYS QG 1 76 ASP H . . 5.500 4.291 1.879 5.016 . 0 0 "[ . 1 . 2]" 1
1977 1 74 VAL H 1 74 VAL HB . . 3.050 2.585 2.455 2.671 . 0 0 "[ . 1 . 2]" 1
1978 1 74 VAL H 1 74 VAL MG1 . . 3.780 3.767 3.751 3.775 . 0 0 "[ . 1 . 2]" 1
1979 1 74 VAL H 1 74 VAL MG2 . . 2.750 2.047 1.875 2.339 . 0 0 "[ . 1 . 2]" 1
1980 1 74 VAL H 1 75 GLN H . . 3.460 2.767 2.463 2.912 . 0 0 "[ . 1 . 2]" 1
1981 1 74 VAL H 1 76 ASP H . . 4.400 4.293 3.883 4.401 0.001 9 0 "[ . 1 . 2]" 1
1982 1 74 VAL H 1 95 VAL MG1 . . 4.050 3.524 3.277 3.965 . 0 0 "[ . 1 . 2]" 1
1983 1 74 VAL HA 1 74 VAL MG1 . . 3.010 2.369 2.266 2.471 . 0 0 "[ . 1 . 2]" 1
1984 1 74 VAL HA 1 74 VAL MG2 . . 2.890 2.382 2.286 2.456 . 0 0 "[ . 1 . 2]" 1
1985 1 74 VAL HA 1 75 GLN HA . . 5.220 4.757 4.689 4.815 . 0 0 "[ . 1 . 2]" 1
1986 1 74 VAL HA 1 76 ASP H . . 4.440 4.244 3.875 4.441 0.001 17 0 "[ . 1 . 2]" 1
1987 1 74 VAL HA 1 77 SER H . . 3.890 3.677 3.490 3.840 . 0 0 "[ . 1 . 2]" 1
1988 1 74 VAL HA 1 77 SER QB . . 4.550 3.353 2.894 4.010 . 0 0 "[ . 1 . 2]" 1
1989 1 74 VAL HA 1 77 SER HG . . 3.780 3.318 2.530 3.783 0.003 9 0 "[ . 1 . 2]" 1
1990 1 74 VAL HA 1 95 VAL H . . 4.370 4.350 4.286 4.377 0.007 20 0 "[ . 1 . 2]" 1
1991 1 74 VAL HA 1 95 VAL HA . . 5.400 5.082 4.874 5.328 . 0 0 "[ . 1 . 2]" 1
1992 1 74 VAL HA 1 95 VAL HB . . 2.800 2.247 2.064 2.502 . 0 0 "[ . 1 . 2]" 1
1993 1 74 VAL HA 1 95 VAL MG1 . . 3.320 2.899 2.658 3.171 . 0 0 "[ . 1 . 2]" 1
1994 1 74 VAL HA 1 95 VAL MG2 . . 3.840 3.616 3.436 3.863 0.023 3 0 "[ . 1 . 2]" 1
1995 1 74 VAL HB 1 75 GLN H . . 3.380 2.890 2.675 3.179 . 0 0 "[ . 1 . 2]" 1
1996 1 74 VAL MG1 1 75 GLN H . . 4.440 3.650 3.440 3.817 . 0 0 "[ . 1 . 2]" 1
1997 1 74 VAL MG1 1 75 GLN HA . . 3.730 3.605 3.380 3.731 0.001 20 0 "[ . 1 . 2]" 1
1998 1 74 VAL MG1 1 75 GLN QG . . 4.030 3.852 3.622 3.991 . 0 0 "[ . 1 . 2]" 1
1999 1 74 VAL MG1 1 76 ASP H . . 5.210 4.985 4.777 5.128 . 0 0 "[ . 1 . 2]" 1
2000 1 74 VAL MG1 1 77 SER H . . 4.510 4.306 4.144 4.497 . 0 0 "[ . 1 . 2]" 1
2001 1 74 VAL MG1 1 77 SER QB . . 4.320 3.596 3.220 3.952 . 0 0 "[ . 1 . 2]" 1
2002 1 74 VAL MG1 1 77 SER HG . . 4.200 2.982 2.468 3.908 . 0 0 "[ . 1 . 2]" 1
2003 1 74 VAL MG1 1 95 VAL H . . 5.500 4.781 4.616 4.990 . 0 0 "[ . 1 . 2]" 1
2004 1 74 VAL MG2 1 75 GLN H . . 4.270 3.939 3.850 4.099 . 0 0 "[ . 1 . 2]" 1
2005 1 74 VAL MG2 1 95 VAL HB . . 4.430 3.761 3.482 4.041 . 0 0 "[ . 1 . 2]" 1
2006 1 74 VAL MG2 1 95 VAL MG1 . . 3.460 3.105 2.699 3.383 . 0 0 "[ . 1 . 2]" 1
2007 1 74 VAL MG2 1 97 ASP H . . 3.680 3.422 3.064 3.637 . 0 0 "[ . 1 . 2]" 1
2008 1 74 VAL MG2 1 97 ASP HA . . 4.640 3.983 3.531 4.236 . 0 0 "[ . 1 . 2]" 1
2009 1 74 VAL MG2 1 97 ASP HB2 . . 4.240 4.070 3.652 4.243 0.003 7 0 "[ . 1 . 2]" 1
2010 1 74 VAL MG2 1 97 ASP HB3 . . 3.810 2.733 2.382 2.948 . 0 0 "[ . 1 . 2]" 1
2011 1 75 GLN H 1 75 GLN HB2 . . 3.760 2.485 2.318 2.660 . 0 0 "[ . 1 . 2]" 1
2012 1 75 GLN H 1 75 GLN HB3 . . 3.760 3.591 3.574 3.613 . 0 0 "[ . 1 . 2]" 1
2013 1 75 GLN H 1 75 GLN QE . . 4.800 4.209 3.345 4.801 0.001 8 0 "[ . 1 . 2]" 1
2014 1 75 GLN H 1 75 GLN QG . . 3.550 2.300 1.912 2.817 . 0 0 "[ . 1 . 2]" 1
2015 1 75 GLN H 1 76 ASP H . . 3.500 2.540 2.340 2.704 . 0 0 "[ . 1 . 2]" 1
2016 1 75 GLN H 1 77 SER H . . 4.690 4.018 3.869 4.228 . 0 0 "[ . 1 . 2]" 1
2017 1 75 GLN HA 1 75 GLN QG . . 3.320 2.516 2.252 2.985 . 0 0 "[ . 1 . 2]" 1
2018 1 75 GLN HA 1 77 SER H . . 3.960 3.735 3.469 3.955 . 0 0 "[ . 1 . 2]" 1
2019 1 75 GLN QB 1 76 ASP H . . 4.240 2.698 2.537 3.032 . 0 0 "[ . 1 . 2]" 1
2020 1 75 GLN HB2 1 76 ASP H . . 4.830 2.766 2.591 3.114 . 0 0 "[ . 1 . 2]" 1
2021 1 75 GLN HB3 1 76 ASP H . . 4.830 3.771 3.518 4.163 . 0 0 "[ . 1 . 2]" 1
2022 1 75 GLN QG 1 76 ASP H . . 4.390 4.086 3.812 4.365 . 0 0 "[ . 1 . 2]" 1
2023 1 76 ASP H 1 76 ASP HB2 . . 3.590 2.419 2.201 2.652 . 0 0 "[ . 1 . 2]" 1
2024 1 76 ASP H 1 76 ASP QB . . 3.020 2.343 2.179 2.587 . 0 0 "[ . 1 . 2]" 1
2025 1 76 ASP H 1 76 ASP HB3 . . 3.590 3.375 2.490 3.609 0.019 2 0 "[ . 1 . 2]" 1
2026 1 76 ASP H 1 77 SER H . . 3.020 2.649 2.430 2.847 . 0 0 "[ . 1 . 2]" 1
2027 1 76 ASP H 1 77 SER HG . . 5.040 4.637 3.778 5.033 . 0 0 "[ . 1 . 2]" 1
2028 1 76 ASP H 1 95 VAL HB . . 4.970 4.826 4.538 4.978 0.008 19 0 "[ . 1 . 2]" 1
2029 1 76 ASP H 1 95 VAL MG1 . . 5.500 4.809 4.335 5.204 . 0 0 "[ . 1 . 2]" 1
2030 1 76 ASP H 1 95 VAL MG2 . . 4.340 3.937 3.680 4.327 . 0 0 "[ . 1 . 2]" 1
2031 1 76 ASP QB 1 77 SER H . . 3.730 3.001 2.742 3.241 . 0 0 "[ . 1 . 2]" 1
2032 1 76 ASP QB 1 95 VAL MG2 . . 3.350 2.569 2.158 3.149 . 0 0 "[ . 1 . 2]" 1
2033 1 76 ASP HB2 1 77 SER H . . 4.340 3.335 2.876 4.151 . 0 0 "[ . 1 . 2]" 1
2034 1 76 ASP HB2 1 95 VAL MG2 . . 3.920 2.944 2.189 3.937 0.017 8 0 "[ . 1 . 2]" 1
2035 1 76 ASP HB3 1 77 SER H . . 4.340 3.735 2.790 4.197 . 0 0 "[ . 1 . 2]" 1
2036 1 76 ASP HB3 1 95 VAL MG2 . . 3.920 3.314 2.249 3.905 . 0 0 "[ . 1 . 2]" 1
2037 1 77 SER H 1 77 SER HB2 . . 3.790 3.405 2.657 3.600 . 0 0 "[ . 1 . 2]" 1
2038 1 77 SER H 1 77 SER QB . . 2.980 2.382 2.238 2.726 . 0 0 "[ . 1 . 2]" 1
2039 1 77 SER H 1 77 SER HB3 . . 3.790 2.585 2.263 3.590 . 0 0 "[ . 1 . 2]" 1
2040 1 77 SER H 1 77 SER HG . . 2.950 2.629 1.888 2.920 . 0 0 "[ . 1 . 2]" 1
2041 1 77 SER H 1 78 GLY H . . 4.620 4.439 4.144 4.621 0.001 19 0 "[ . 1 . 2]" 1
2042 1 77 SER H 1 93 VAL MG1 . . 4.990 4.680 4.235 4.990 . 0 0 "[ . 1 . 2]" 1
2043 1 77 SER H 1 95 VAL H . . 4.560 4.180 3.773 4.472 . 0 0 "[ . 1 . 2]" 1
2044 1 77 SER H 1 95 VAL HB . . 3.960 3.554 3.172 3.923 . 0 0 "[ . 1 . 2]" 1
2045 1 77 SER H 1 95 VAL MG1 . . 4.940 4.567 4.187 4.948 0.008 8 0 "[ . 1 . 2]" 1
2046 1 77 SER H 1 95 VAL MG2 . . 3.910 2.867 2.201 3.778 . 0 0 "[ . 1 . 2]" 1
2047 1 77 SER HA 1 77 SER HG . . 3.930 3.649 2.600 3.937 0.007 4 0 "[ . 1 . 2]" 1
2048 1 77 SER HA 1 78 GLY H . . 2.820 2.172 2.143 2.253 . 0 0 "[ . 1 . 2]" 1
2049 1 77 SER HA 1 93 VAL HB . . 3.960 3.410 2.905 3.944 . 0 0 "[ . 1 . 2]" 1
2050 1 77 SER HA 1 93 VAL MG1 . . 3.350 2.702 2.272 3.132 . 0 0 "[ . 1 . 2]" 1
2051 1 77 SER HA 1 95 VAL H . . 3.940 3.135 2.507 3.674 . 0 0 "[ . 1 . 2]" 1
2052 1 77 SER HA 1 95 VAL MG2 . . 3.890 2.553 2.063 3.230 . 0 0 "[ . 1 . 2]" 1
2053 1 77 SER QB 1 78 GLY H . . 3.750 3.405 2.954 3.740 . 0 0 "[ . 1 . 2]" 1
2054 1 77 SER QB 1 94 THR HA . . 3.380 2.150 1.987 2.316 . 0 0 "[ . 1 . 2]" 1
2055 1 77 SER QB 1 95 VAL H . . 3.690 1.811 1.718 2.185 . 0 0 "[ . 1 . 2]" 1
2056 1 77 SER QB 1 95 VAL MG1 . . 4.670 4.028 3.670 4.742 0.072 3 0 "[ . 1 . 2]" 1
2057 1 77 SER HB2 1 78 GLY H . . 4.570 3.643 3.020 4.383 . 0 0 "[ . 1 . 2]" 1
2058 1 77 SER HB2 1 94 THR HA . . 4.020 2.507 2.000 4.024 0.004 12 0 "[ . 1 . 2]" 1
2059 1 77 SER HB2 1 95 VAL H . . 4.250 2.289 1.902 3.531 . 0 0 "[ . 1 . 2]" 1
2060 1 77 SER HB3 1 78 GLY H . . 4.570 4.304 3.828 4.561 . 0 0 "[ . 1 . 2]" 1
2061 1 77 SER HB3 1 94 THR HA . . 4.020 3.229 2.238 3.789 . 0 0 "[ . 1 . 2]" 1
2062 1 77 SER HB3 1 95 VAL H . . 4.250 2.002 1.894 2.236 . 0 0 "[ . 1 . 2]" 1
2063 1 77 SER HG 1 78 GLY H . . 5.270 5.069 4.708 5.268 . 0 0 "[ . 1 . 2]" 1
2064 1 77 SER HG 1 94 THR MG . . 5.180 4.956 4.753 5.118 . 0 0 "[ . 1 . 2]" 1
2065 1 77 SER HG 1 95 VAL H . . 3.920 3.532 2.520 3.883 . 0 0 "[ . 1 . 2]" 1
2066 1 77 SER HG 1 95 VAL HB . . 3.940 3.468 1.980 3.940 0.000 5 0 "[ . 1 . 2]" 1
2067 1 77 SER HG 1 95 VAL MG1 . . 5.450 4.873 3.552 5.288 . 0 0 "[ . 1 . 2]" 1
2068 1 77 SER HG 1 95 VAL MG2 . . 4.250 3.732 2.031 4.247 . 0 0 "[ . 1 . 2]" 1
2069 1 78 GLY H 1 79 GLU H . . 4.540 4.346 4.138 4.411 . 0 0 "[ . 1 . 2]" 1
2070 1 78 GLY H 1 79 GLU HA . . 5.070 4.713 4.597 4.785 . 0 0 "[ . 1 . 2]" 1
2071 1 78 GLY H 1 80 PHE QD . . 4.550 4.276 3.898 4.534 . 0 0 "[ . 1 . 2]" 1
2072 1 78 GLY H 1 80 PHE QE . . 4.090 3.477 2.998 3.918 . 0 0 "[ . 1 . 2]" 1
2073 1 78 GLY H 1 93 VAL HB . . 3.340 2.528 2.221 2.751 . 0 0 "[ . 1 . 2]" 1
2074 1 78 GLY H 1 93 VAL MG1 . . 3.770 3.264 2.785 3.714 . 0 0 "[ . 1 . 2]" 1
2075 1 78 GLY H 1 93 VAL MG2 . . 4.330 4.114 3.758 4.338 0.008 8 0 "[ . 1 . 2]" 1
2076 1 78 GLY H 1 94 THR H . . 5.500 4.992 4.598 5.289 . 0 0 "[ . 1 . 2]" 1
2077 1 78 GLY H 1 94 THR HA . . 4.440 4.009 3.632 4.418 . 0 0 "[ . 1 . 2]" 1
2078 1 78 GLY H 1 95 VAL H . . 5.500 4.811 4.491 5.113 . 0 0 "[ . 1 . 2]" 1
2079 1 78 GLY H 1 95 VAL MG2 . . 4.720 4.334 3.943 4.720 . 0 0 "[ . 1 . 2]" 1
2080 1 78 GLY HA2 1 79 GLU H . . 3.060 2.694 2.481 2.996 . 0 0 "[ . 1 . 2]" 1
2081 1 78 GLY HA2 1 93 VAL HB . . 5.500 4.920 4.671 5.246 . 0 0 "[ . 1 . 2]" 1
2082 1 78 GLY HA3 1 79 GLU H . . 3.040 2.453 2.219 2.650 . 0 0 "[ . 1 . 2]" 1
2083 1 79 GLU H 1 79 GLU HB2 . . 3.360 2.792 2.412 3.111 . 0 0 "[ . 1 . 2]" 1
2084 1 79 GLU H 1 79 GLU QB . . 2.940 2.355 2.257 2.543 . 0 0 "[ . 1 . 2]" 1
2085 1 79 GLU H 1 79 GLU HB3 . . 3.360 2.565 2.394 2.869 . 0 0 "[ . 1 . 2]" 1
2086 1 79 GLU H 1 79 GLU HG2 . . 4.980 4.549 4.285 4.834 . 0 0 "[ . 1 . 2]" 1
2087 1 79 GLU H 1 79 GLU QG . . 4.240 4.045 3.961 4.141 . 0 0 "[ . 1 . 2]" 1
2088 1 79 GLU H 1 79 GLU HG3 . . 4.980 4.559 4.366 4.821 . 0 0 "[ . 1 . 2]" 1
2089 1 79 GLU H 1 80 PHE H . . 4.730 4.476 4.343 4.553 . 0 0 "[ . 1 . 2]" 1
2090 1 79 GLU HA 1 79 GLU HG2 . . 3.800 3.117 2.340 3.818 0.018 12 0 "[ . 1 . 2]" 1
2091 1 79 GLU HA 1 79 GLU QG . . 3.330 2.548 2.228 2.986 . 0 0 "[ . 1 . 2]" 1
2092 1 79 GLU HA 1 79 GLU HG3 . . 3.800 2.901 2.266 3.636 . 0 0 "[ . 1 . 2]" 1
2093 1 79 GLU HA 1 80 PHE H . . 2.840 2.163 2.145 2.187 . 0 0 "[ . 1 . 2]" 1
2094 1 79 GLU HA 1 80 PHE HA . . 4.820 4.383 4.379 4.388 . 0 0 "[ . 1 . 2]" 1
2095 1 79 GLU HA 1 80 PHE HB2 . . 4.780 4.353 4.251 4.476 . 0 0 "[ . 1 . 2]" 1
2096 1 79 GLU HA 1 80 PHE QD . . 4.310 3.351 3.018 3.793 . 0 0 "[ . 1 . 2]" 1
2097 1 79 GLU HA 1 91 PHE H . . 4.870 4.235 3.853 4.535 . 0 0 "[ . 1 . 2]" 1
2098 1 79 GLU HA 1 91 PHE QB . . 5.280 4.606 4.398 4.961 . 0 0 "[ . 1 . 2]" 1
2099 1 79 GLU HA 1 92 GLY HA2 . . 3.530 2.706 2.519 2.826 . 0 0 "[ . 1 . 2]" 1
2100 1 79 GLU HA 1 92 GLY HA3 . . 4.480 4.420 4.238 4.482 0.002 17 0 "[ . 1 . 2]" 1
2101 1 79 GLU HA 1 93 VAL H . . 3.840 3.112 2.564 3.532 . 0 0 "[ . 1 . 2]" 1
2102 1 79 GLU HA 1 93 VAL MG2 . . 4.720 4.266 3.826 4.681 . 0 0 "[ . 1 . 2]" 1
2103 1 79 GLU QB 1 90 PHE QD . . 5.030 4.271 3.870 5.028 . 0 0 "[ . 1 . 2]" 1
2104 1 79 GLU HB2 1 80 PHE H . . 4.630 4.210 4.042 4.363 . 0 0 "[ . 1 . 2]" 1
2105 1 79 GLU HB3 1 80 PHE H . . 4.630 4.114 3.871 4.260 . 0 0 "[ . 1 . 2]" 1
2106 1 79 GLU QG 1 80 PHE H . . 3.900 2.671 2.410 3.009 . 0 0 "[ . 1 . 2]" 1
2107 1 79 GLU QG 1 90 PHE HB3 . . 4.300 3.193 2.684 3.703 . 0 0 "[ . 1 . 2]" 1
2108 1 79 GLU QG 1 90 PHE QD . . 3.550 2.589 2.037 3.184 . 0 0 "[ . 1 . 2]" 1
2109 1 79 GLU QG 1 91 PHE H . . 4.760 3.050 2.689 3.832 . 0 0 "[ . 1 . 2]" 1
2110 1 79 GLU HG2 1 80 PHE H . . 4.530 3.274 2.427 4.469 . 0 0 "[ . 1 . 2]" 1
2111 1 79 GLU HG2 1 90 PHE HB3 . . 4.910 3.674 3.040 4.579 . 0 0 "[ . 1 . 2]" 1
2112 1 79 GLU HG2 1 90 PHE QD . . 4.100 2.905 2.210 3.773 . 0 0 "[ . 1 . 2]" 1
2113 1 79 GLU HG3 1 80 PHE H . . 4.530 3.318 2.451 4.440 . 0 0 "[ . 1 . 2]" 1
2114 1 79 GLU HG3 1 90 PHE HB3 . . 4.910 3.572 2.791 4.170 . 0 0 "[ . 1 . 2]" 1
2115 1 79 GLU HG3 1 90 PHE QD . . 4.100 3.119 2.248 3.834 . 0 0 "[ . 1 . 2]" 1
2116 1 80 PHE H 1 80 PHE HB2 . . 3.590 2.391 2.331 2.465 . 0 0 "[ . 1 . 2]" 1
2117 1 80 PHE H 1 80 PHE HB3 . . 4.000 3.614 3.543 3.673 . 0 0 "[ . 1 . 2]" 1
2118 1 80 PHE H 1 80 PHE QD . . 3.430 2.680 2.312 3.007 . 0 0 "[ . 1 . 2]" 1
2119 1 80 PHE H 1 91 PHE H . . 3.930 2.727 2.497 2.983 . 0 0 "[ . 1 . 2]" 1
2120 1 80 PHE H 1 91 PHE QD . . 4.350 4.257 3.824 4.357 0.007 17 0 "[ . 1 . 2]" 1
2121 1 80 PHE H 1 92 GLY HA2 . . 4.440 3.866 3.700 4.019 . 0 0 "[ . 1 . 2]" 1
2122 1 80 PHE H 1 93 VAL H . . 4.650 4.251 3.765 4.535 . 0 0 "[ . 1 . 2]" 1
2123 1 80 PHE H 1 93 VAL MG2 . . 4.400 3.977 3.514 4.260 . 0 0 "[ . 1 . 2]" 1
2124 1 80 PHE HA 1 80 PHE QD . . 3.710 3.064 2.968 3.134 . 0 0 "[ . 1 . 2]" 1
2125 1 80 PHE HA 1 80 PHE QE . . 4.980 4.574 4.510 4.666 . 0 0 "[ . 1 . 2]" 1
2126 1 80 PHE HA 1 81 GLU H . . 2.790 2.235 2.144 2.408 . 0 0 "[ . 1 . 2]" 1
2127 1 80 PHE HA 1 81 GLU HA . . 5.180 4.436 4.388 4.531 . 0 0 "[ . 1 . 2]" 1
2128 1 80 PHE HA 1 81 GLU HB3 . . 5.100 4.510 4.271 4.942 . 0 0 "[ . 1 . 2]" 1
2129 1 80 PHE HA 1 91 PHE QD . . 5.440 4.999 4.757 5.278 . 0 0 "[ . 1 . 2]" 1
2130 1 80 PHE HB2 1 81 GLU H . . 4.410 4.134 3.747 4.398 . 0 0 "[ . 1 . 2]" 1
2131 1 80 PHE HB2 1 93 VAL MG2 . . 4.110 3.584 2.869 4.005 . 0 0 "[ . 1 . 2]" 1
2132 1 80 PHE HB3 1 81 GLU H . . 3.960 2.989 2.428 3.411 . 0 0 "[ . 1 . 2]" 1
2133 1 80 PHE HB3 1 81 GLU HA . . 5.280 4.298 4.124 4.518 . 0 0 "[ . 1 . 2]" 1
2134 1 80 PHE HB3 1 91 PHE QD . . 4.120 3.383 2.939 3.899 . 0 0 "[ . 1 . 2]" 1
2135 1 80 PHE QD 1 81 GLU H . . 4.420 3.915 3.534 4.292 . 0 0 "[ . 1 . 2]" 1
2136 1 80 PHE QD 1 93 VAL H . . 4.350 3.917 3.414 4.308 . 0 0 "[ . 1 . 2]" 1
2137 1 80 PHE QD 1 93 VAL HB . . 3.720 3.321 2.543 3.697 . 0 0 "[ . 1 . 2]" 1
2138 1 80 PHE QD 1 93 VAL MG2 . . 3.140 2.719 1.976 3.016 . 0 0 "[ . 1 . 2]" 1
2139 1 80 PHE QE 1 93 VAL HB . . 3.770 3.075 2.532 3.579 . 0 0 "[ . 1 . 2]" 1
2140 1 80 PHE QE 1 93 VAL MG1 . . 4.870 3.626 2.782 4.049 . 0 0 "[ . 1 . 2]" 1
2141 1 80 PHE QE 1 93 VAL MG2 . . 3.550 3.334 3.028 3.538 . 0 0 "[ . 1 . 2]" 1
2142 1 81 GLU H 1 81 GLU HB2 . . 4.030 3.192 2.742 3.507 . 0 0 "[ . 1 . 2]" 1
2143 1 81 GLU H 1 81 GLU HB3 . . 3.740 2.762 2.484 2.935 . 0 0 "[ . 1 . 2]" 1
2144 1 81 GLU H 1 81 GLU HG2 . . 5.360 4.448 4.287 4.607 . 0 0 "[ . 1 . 2]" 1
2145 1 81 GLU H 1 81 GLU QG . . 4.650 4.112 3.995 4.268 . 0 0 "[ . 1 . 2]" 1
2146 1 81 GLU H 1 81 GLU HG3 . . 5.360 4.854 4.602 5.110 . 0 0 "[ . 1 . 2]" 1
2147 1 81 GLU H 1 82 CYS H . . 4.930 4.321 4.156 4.501 . 0 0 "[ . 1 . 2]" 1
2148 1 81 GLU HA 1 81 GLU HG2 . . 3.970 2.823 2.487 3.211 . 0 0 "[ . 1 . 2]" 1
2149 1 81 GLU HA 1 81 GLU HG3 . . 3.970 2.874 2.579 3.601 . 0 0 "[ . 1 . 2]" 1
2150 1 81 GLU HA 1 82 CYS H . . 2.910 2.184 2.156 2.264 . 0 0 "[ . 1 . 2]" 1
2151 1 81 GLU HA 1 82 CYS HA . . 5.090 4.385 4.369 4.415 . 0 0 "[ . 1 . 2]" 1
2152 1 81 GLU HA 1 82 CYS HB2 . . 5.260 4.495 4.121 4.710 . 0 0 "[ . 1 . 2]" 1
2153 1 81 GLU HA 1 82 CYS HB3 . . 5.500 4.566 4.380 4.939 . 0 0 "[ . 1 . 2]" 1
2154 1 81 GLU HA 1 89 ALA MB . . 4.630 3.922 3.438 4.525 . 0 0 "[ . 1 . 2]" 1
2155 1 81 GLU HA 1 90 PHE QD . . 4.990 4.381 3.416 4.848 . 0 0 "[ . 1 . 2]" 1
2156 1 81 GLU HA 1 91 PHE H . . 4.520 3.929 3.671 4.376 . 0 0 "[ . 1 . 2]" 1
2157 1 81 GLU HA 1 91 PHE QD . . 4.370 3.572 3.130 4.031 . 0 0 "[ . 1 . 2]" 1
2158 1 81 GLU HA 1 91 PHE QE . . 4.990 4.289 3.866 4.818 . 0 0 "[ . 1 . 2]" 1
2159 1 81 GLU HB2 1 82 CYS H . . 4.320 4.136 3.950 4.297 . 0 0 "[ . 1 . 2]" 1
2160 1 81 GLU HB2 1 90 PHE QD . . 5.420 3.754 2.524 4.496 . 0 0 "[ . 1 . 2]" 1
2161 1 81 GLU HB2 1 90 PHE QE . . 5.500 3.761 3.174 4.296 . 0 0 "[ . 1 . 2]" 1
2162 1 81 GLU HB3 1 83 ARG H . . 5.150 4.400 4.029 4.989 . 0 0 "[ . 1 . 2]" 1
2163 1 81 GLU HB3 1 90 PHE QD . . 5.500 5.257 4.216 5.506 0.006 3 0 "[ . 1 . 2]" 1
2164 1 81 GLU HB3 1 90 PHE QE . . 5.500 4.944 4.370 5.255 . 0 0 "[ . 1 . 2]" 1
2165 1 81 GLU QG 1 82 CYS HA . . 5.340 3.942 3.659 4.398 . 0 0 "[ . 1 . 2]" 1
2166 1 81 GLU QG 1 88 SER HA . . 4.390 3.894 3.382 4.243 . 0 0 "[ . 1 . 2]" 1
2167 1 81 GLU QG 1 88 SER HB2 . . 3.520 2.587 2.171 3.099 . 0 0 "[ . 1 . 2]" 1
2168 1 81 GLU QG 1 88 SER HB3 . . 3.420 2.179 1.974 2.328 . 0 0 "[ . 1 . 2]" 1
2169 1 81 GLU QG 1 90 PHE HA . . 4.910 3.885 3.288 4.595 . 0 0 "[ . 1 . 2]" 1
2170 1 81 GLU QG 1 90 PHE QD . . 4.830 3.663 2.845 4.283 . 0 0 "[ . 1 . 2]" 1
2171 1 81 GLU QG 1 90 PHE QE . . 4.650 3.268 2.218 3.769 . 0 0 "[ . 1 . 2]" 1
2172 1 81 GLU QG 1 90 PHE HZ . . 5.200 3.823 3.259 4.801 . 0 0 "[ . 1 . 2]" 1
2173 1 81 GLU HG2 1 82 CYS H . . 3.990 2.562 2.120 2.928 . 0 0 "[ . 1 . 2]" 1
2174 1 81 GLU HG2 1 88 SER HB2 . . 4.150 3.147 2.404 3.856 . 0 0 "[ . 1 . 2]" 1
2175 1 81 GLU HG2 1 88 SER HB3 . . 4.020 2.289 2.084 2.526 . 0 0 "[ . 1 . 2]" 1
2176 1 81 GLU HG2 1 90 PHE QD . . 5.500 5.010 3.725 5.500 . 0 0 "[ . 1 . 2]" 1
2177 1 81 GLU HG2 1 90 PHE QE . . 5.500 4.638 3.335 5.251 . 0 0 "[ . 1 . 2]" 1
2178 1 81 GLU HG3 1 82 CYS H . . 3.990 3.429 2.815 3.975 . 0 0 "[ . 1 . 2]" 1
2179 1 81 GLU HG3 1 88 SER HB2 . . 4.150 2.845 2.201 3.266 . 0 0 "[ . 1 . 2]" 1
2180 1 81 GLU HG3 1 88 SER HB3 . . 4.020 2.923 2.109 3.857 . 0 0 "[ . 1 . 2]" 1
2181 1 81 GLU HG3 1 90 PHE QD . . 5.500 3.785 2.951 4.822 . 0 0 "[ . 1 . 2]" 1
2182 1 81 GLU HG3 1 90 PHE QE . . 5.500 3.347 2.231 3.862 . 0 0 "[ . 1 . 2]" 1
2183 1 82 CYS H 1 82 CYS HB2 . . 3.860 2.948 2.638 3.135 . 0 0 "[ . 1 . 2]" 1
2184 1 82 CYS H 1 82 CYS HB3 . . 3.560 2.548 2.358 2.921 . 0 0 "[ . 1 . 2]" 1
2185 1 82 CYS H 1 88 SER HB2 . . 5.400 4.532 3.362 5.367 . 0 0 "[ . 1 . 2]" 1
2186 1 82 CYS H 1 88 SER HB3 . . 4.560 3.466 2.367 4.231 . 0 0 "[ . 1 . 2]" 1
2187 1 82 CYS H 1 89 ALA H . . 3.680 2.397 1.959 2.590 . 0 0 "[ . 1 . 2]" 1
2188 1 82 CYS H 1 89 ALA MB . . 3.930 2.990 2.550 3.649 . 0 0 "[ . 1 . 2]" 1
2189 1 82 CYS H 1 90 PHE HA . . 5.130 4.503 4.067 5.062 . 0 0 "[ . 1 . 2]" 1
2190 1 82 CYS H 1 91 PHE QD . . 5.250 4.357 4.040 4.972 . 0 0 "[ . 1 . 2]" 1
2191 1 82 CYS H 1 91 PHE QE . . 5.180 3.799 3.416 4.134 . 0 0 "[ . 1 . 2]" 1
2192 1 82 CYS HA 1 82 CYS HG . . 3.800 2.826 2.416 3.082 . 0 0 "[ . 1 . 2]" 1
2193 1 82 CYS HA 1 83 ARG H . . 2.960 2.319 2.197 2.404 . 0 0 "[ . 1 . 2]" 1
2194 1 82 CYS HA 1 83 ARG QB . . 5.340 4.236 4.156 4.305 . 0 0 "[ . 1 . 2]" 1
2195 1 82 CYS HB2 1 83 ARG H . . 4.710 4.585 4.472 4.662 . 0 0 "[ . 1 . 2]" 1
2196 1 82 CYS HB2 1 89 ALA H . . 5.170 4.303 3.174 4.770 . 0 0 "[ . 1 . 2]" 1
2197 1 82 CYS HB2 1 89 ALA MB . . 4.080 3.598 2.930 3.945 . 0 0 "[ . 1 . 2]" 1
2198 1 82 CYS HB2 1 91 PHE QE . . 4.190 3.436 2.728 4.091 . 0 0 "[ . 1 . 2]" 1
2199 1 82 CYS HB3 1 83 ARG H . . 5.380 4.478 4.293 4.553 . 0 0 "[ . 1 . 2]" 1
2200 1 82 CYS HB3 1 88 SER HA . . 5.500 4.144 3.302 4.433 . 0 0 "[ . 1 . 2]" 1
2201 1 82 CYS HB3 1 89 ALA H . . 4.190 2.921 2.362 3.452 . 0 0 "[ . 1 . 2]" 1
2202 1 82 CYS HB3 1 89 ALA MB . . 3.370 2.646 2.107 3.032 . 0 0 "[ . 1 . 2]" 1
2203 1 82 CYS HB3 1 91 PHE QE . . 4.130 3.547 2.851 3.836 . 0 0 "[ . 1 . 2]" 1
2204 1 82 CYS HB3 1 91 PHE HZ . . 5.500 5.160 4.392 5.505 0.005 15 0 "[ . 1 . 2]" 1
2205 1 82 CYS HG 1 83 ARG H . . 4.620 4.289 3.857 4.564 . 0 0 "[ . 1 . 2]" 1
2206 1 83 ARG H 1 83 ARG HB2 . . 3.770 2.465 2.203 2.736 . 0 0 "[ . 1 . 2]" 1
2207 1 83 ARG H 1 83 ARG HB3 . . 3.770 2.698 2.369 3.505 . 0 0 "[ . 1 . 2]" 1
2208 1 83 ARG H 1 83 ARG QG . . 4.980 3.844 2.761 4.009 . 0 0 "[ . 1 . 2]" 1
2209 1 83 ARG QB 1 83 ARG QD . . 3.230 2.155 2.063 2.561 . 0 0 "[ . 1 . 2]" 1
2210 1 83 ARG QB 1 83 ARG HE . . 4.000 3.444 1.916 3.946 . 0 0 "[ . 1 . 2]" 1
2211 1 83 ARG QB 1 84 THR H . . 4.360 3.595 3.045 3.924 . 0 0 "[ . 1 . 2]" 1
2212 1 83 ARG HB2 1 83 ARG HE . . 4.590 3.996 2.617 4.481 . 0 0 "[ . 1 . 2]" 1
2213 1 83 ARG HB2 1 84 THR H . . 4.960 4.209 3.942 4.461 . 0 0 "[ . 1 . 2]" 1
2214 1 83 ARG HB3 1 83 ARG HE . . 4.590 3.918 1.931 4.599 0.009 15 0 "[ . 1 . 2]" 1
2215 1 83 ARG HB3 1 84 THR H . . 4.960 3.934 3.119 4.377 . 0 0 "[ . 1 . 2]" 1
2216 1 83 ARG HD2 1 83 ARG QH1 . . 4.450 2.305 1.913 3.393 . 0 0 "[ . 1 . 2]" 1
2217 1 83 ARG HD3 1 83 ARG QH1 . . 4.450 2.334 1.893 3.432 . 0 0 "[ . 1 . 2]" 1
2218 1 83 ARG HE 1 83 ARG QG . . 3.340 2.386 2.173 3.232 . 0 0 "[ . 1 . 2]" 1
2219 1 83 ARG QG 1 84 THR H . . 3.730 2.657 2.103 3.693 . 0 0 "[ . 1 . 2]" 1
2220 1 83 ARG QG 1 88 SER HA . . 5.500 4.754 4.210 5.230 . 0 0 "[ . 1 . 2]" 1
2221 1 84 THR H 1 84 THR HB . . 4.090 3.355 2.926 3.557 . 0 0 "[ . 1 . 2]" 1
2222 1 84 THR H 1 84 THR HG1 . . 4.880 4.294 3.829 4.662 . 0 0 "[ . 1 . 2]" 1
2223 1 84 THR H 1 84 THR MG . . 3.210 2.227 1.763 2.621 . 0 0 "[ . 1 . 2]" 1
2224 1 84 THR H 1 87 VAL H . . 4.240 4.087 3.603 4.255 0.015 13 0 "[ . 1 . 2]" 1
2225 1 84 THR H 1 88 SER HA . . 3.890 3.772 3.480 3.905 0.015 16 0 "[ . 1 . 2]" 1
2226 1 84 THR HA 1 84 THR MG . . 3.570 3.156 3.107 3.195 . 0 0 "[ . 1 . 2]" 1
2227 1 84 THR HA 1 85 GLU HA . . 4.780 4.415 4.300 4.560 . 0 0 "[ . 1 . 2]" 1
2228 1 84 THR HB 1 85 GLU H . . 3.830 3.704 3.589 3.962 0.132 13 0 "[ . 1 . 2]" 1
2229 1 84 THR HB 1 87 VAL MG2 . . 5.080 4.939 4.454 5.080 . 0 0 "[ . 1 . 2]" 1
2230 1 84 THR HG1 1 85 GLU H . . 3.600 2.033 1.843 2.738 . 0 0 "[ . 1 . 2]" 1
2231 1 84 THR HG1 1 86 GLY H . . 4.800 4.211 3.343 4.707 . 0 0 "[ . 1 . 2]" 1
2232 1 84 THR HG1 1 87 VAL H . . 5.110 4.461 4.123 5.145 0.035 13 0 "[ . 1 . 2]" 1
2233 1 84 THR MG 1 85 GLU H . . 3.390 2.561 1.802 3.282 . 0 0 "[ . 1 . 2]" 1
2234 1 84 THR MG 1 85 GLU HA . . 4.730 4.245 3.845 4.418 . 0 0 "[ . 1 . 2]" 1
2235 1 84 THR MG 1 85 GLU HB2 . . 5.060 4.413 3.348 5.063 0.003 6 0 "[ . 1 . 2]" 1
2236 1 84 THR MG 1 85 GLU HB3 . . 5.060 4.323 3.409 5.029 . 0 0 "[ . 1 . 2]" 1
2237 1 84 THR MG 1 87 VAL H . . 3.690 2.423 1.793 3.050 . 0 0 "[ . 1 . 2]" 1
2238 1 84 THR MG 1 87 VAL HA . . 4.750 4.307 3.910 4.708 . 0 0 "[ . 1 . 2]" 1
2239 1 84 THR MG 1 87 VAL HB . . 4.700 4.556 4.230 4.700 0.000 15 0 "[ . 1 . 2]" 1
2240 1 84 THR MG 1 88 SER HA . . 4.470 3.297 3.034 3.908 . 0 0 "[ . 1 . 2]" 1
2241 1 85 GLU H 1 85 GLU HB2 . . 3.500 2.566 2.179 3.104 . 0 0 "[ . 1 . 2]" 1
2242 1 85 GLU H 1 85 GLU QB . . 2.990 2.323 2.158 2.562 . 0 0 "[ . 1 . 2]" 1
2243 1 85 GLU H 1 85 GLU HB3 . . 3.500 2.878 2.579 3.555 0.055 20 0 "[ . 1 . 2]" 1
2244 1 85 GLU H 1 85 GLU QG . . 4.240 3.863 2.826 4.188 . 0 0 "[ . 1 . 2]" 1
2245 1 85 GLU HA 1 85 GLU QG . . 3.160 2.489 2.120 3.027 . 0 0 "[ . 1 . 2]" 1
2246 1 85 GLU HA 1 86 GLY QA . . 4.550 4.072 3.909 4.248 . 0 0 "[ . 1 . 2]" 1
2247 1 85 GLU QG 1 86 GLY H . . 4.680 3.900 2.919 4.466 . 0 0 "[ . 1 . 2]" 1
2248 1 86 GLY H 1 86 GLY QA . . 2.550 2.442 2.382 2.502 . 0 0 "[ . 1 . 2]" 1
2249 1 86 GLY H 1 87 VAL H . . 3.430 2.472 1.797 3.182 . 0 0 "[ . 1 . 2]" 1
2250 1 86 GLY H 1 87 VAL MG1 . . 5.240 4.383 3.542 4.942 . 0 0 "[ . 1 . 2]" 1
2251 1 86 GLY H 1 87 VAL MG2 . . 5.460 4.135 2.927 5.080 . 0 0 "[ . 1 . 2]" 1
2252 1 86 GLY QA 1 87 VAL MG1 . . 3.870 3.289 3.041 3.548 . 0 0 "[ . 1 . 2]" 1
2253 1 86 GLY QA 1 87 VAL MG2 . . 4.660 3.839 3.323 4.251 . 0 0 "[ . 1 . 2]" 1
2254 1 86 GLY HA2 1 87 VAL MG1 . . 4.570 4.080 3.640 4.573 0.003 14 0 "[ . 1 . 2]" 1
2255 1 86 GLY HA2 1 87 VAL MG2 . . 5.500 4.906 4.504 5.131 . 0 0 "[ . 1 . 2]" 1
2256 1 86 GLY HA3 1 87 VAL MG1 . . 4.570 3.487 3.232 3.762 . 0 0 "[ . 1 . 2]" 1
2257 1 86 GLY HA3 1 87 VAL MG2 . . 5.500 4.023 3.422 4.562 . 0 0 "[ . 1 . 2]" 1
2258 1 87 VAL H 1 87 VAL MG1 . . 3.430 2.979 2.783 3.343 . 0 0 "[ . 1 . 2]" 1
2259 1 87 VAL H 1 87 VAL MG2 . . 3.240 2.249 1.885 2.434 . 0 0 "[ . 1 . 2]" 1
2260 1 87 VAL H 1 88 SER H . . 4.580 4.429 4.383 4.511 . 0 0 "[ . 1 . 2]" 1
2261 1 87 VAL HA 1 87 VAL MG1 . . 2.960 2.323 2.179 2.454 . 0 0 "[ . 1 . 2]" 1
2262 1 87 VAL HA 1 87 VAL MG2 . . 3.270 3.192 3.166 3.203 . 0 0 "[ . 1 . 2]" 1
2263 1 87 VAL HA 1 88 SER H . . 2.620 2.544 2.351 2.621 0.001 9 0 "[ . 1 . 2]" 1
2264 1 87 VAL HA 1 88 SER HB2 . . 5.330 4.899 4.772 5.000 . 0 0 "[ . 1 . 2]" 1
2265 1 87 VAL HA 1 88 SER HB3 . . 5.500 5.502 5.489 5.528 0.028 3 0 "[ . 1 . 2]" 1
2266 1 87 VAL HB 1 88 SER H . . 3.190 2.111 1.958 2.516 . 0 0 "[ . 1 . 2]" 1
2267 1 87 VAL MG1 1 88 SER H . . 3.790 3.572 3.233 3.783 . 0 0 "[ . 1 . 2]" 1
2268 1 87 VAL MG2 1 88 SER H . . 3.480 3.171 2.971 3.455 . 0 0 "[ . 1 . 2]" 1
2269 1 87 VAL MG2 1 88 SER HA . . 4.530 3.574 3.287 4.142 . 0 0 "[ . 1 . 2]" 1
2270 1 88 SER H 1 88 SER HB2 . . 3.390 3.140 3.031 3.246 . 0 0 "[ . 1 . 2]" 1
2271 1 88 SER H 1 88 SER HB3 . . 4.040 3.968 3.893 4.034 . 0 0 "[ . 1 . 2]" 1
2272 1 88 SER H 1 89 ALA H . . 5.140 4.371 4.294 4.428 . 0 0 "[ . 1 . 2]" 1
2273 1 88 SER HA 1 89 ALA H . . 2.940 2.325 2.216 2.455 . 0 0 "[ . 1 . 2]" 1
2274 1 88 SER HA 1 89 ALA MB . . 4.760 3.932 3.878 3.967 . 0 0 "[ . 1 . 2]" 1
2275 1 88 SER HB2 1 89 ALA H . . 3.960 3.421 3.134 3.689 . 0 0 "[ . 1 . 2]" 1
2276 1 88 SER HB2 1 90 PHE QE . . 3.700 3.192 2.356 3.683 . 0 0 "[ . 1 . 2]" 1
2277 1 88 SER HB2 1 90 PHE HZ . . 4.980 4.256 3.732 4.701 . 0 0 "[ . 1 . 2]" 1
2278 1 88 SER HB3 1 89 ALA H . . 3.830 2.801 2.518 3.078 . 0 0 "[ . 1 . 2]" 1
2279 1 88 SER HB3 1 90 PHE QE . . 5.080 4.633 3.890 5.069 . 0 0 "[ . 1 . 2]" 1
2280 1 89 ALA H 1 89 ALA MB . . 3.130 2.297 2.209 2.396 . 0 0 "[ . 1 . 2]" 1
2281 1 89 ALA HA 1 90 PHE H . . 2.780 2.431 2.161 2.589 . 0 0 "[ . 1 . 2]" 1
2282 1 89 ALA MB 1 90 PHE H . . 3.290 2.375 2.023 3.038 . 0 0 "[ . 1 . 2]" 1
2283 1 89 ALA MB 1 90 PHE HA . . 4.740 3.942 3.800 4.239 . 0 0 "[ . 1 . 2]" 1
2284 1 89 ALA MB 1 90 PHE HB2 . . 5.500 4.679 4.456 4.989 . 0 0 "[ . 1 . 2]" 1
2285 1 89 ALA MB 1 90 PHE QD . . 5.040 4.284 3.934 4.739 . 0 0 "[ . 1 . 2]" 1
2286 1 89 ALA MB 1 91 PHE H . . 5.500 4.783 4.428 5.126 . 0 0 "[ . 1 . 2]" 1
2287 1 89 ALA MB 1 91 PHE QD . . 4.250 3.510 3.245 3.734 . 0 0 "[ . 1 . 2]" 1
2288 1 89 ALA MB 1 91 PHE QE . . 3.190 2.160 1.945 2.488 . 0 0 "[ . 1 . 2]" 1
2289 1 89 ALA MB 1 91 PHE HZ . . 3.700 2.869 2.270 3.148 . 0 0 "[ . 1 . 2]" 1
2290 1 90 PHE H 1 90 PHE HB2 . . 3.360 2.669 2.360 2.829 . 0 0 "[ . 1 . 2]" 1
2291 1 90 PHE H 1 90 PHE HB3 . . 3.870 3.780 3.609 3.871 0.001 11 0 "[ . 1 . 2]" 1
2292 1 90 PHE H 1 90 PHE QD . . 3.720 3.069 2.374 3.707 . 0 0 "[ . 1 . 2]" 1
2293 1 90 PHE H 1 91 PHE H . . 4.610 4.247 4.084 4.497 . 0 0 "[ . 1 . 2]" 1
2294 1 90 PHE HA 1 90 PHE QD . . 3.870 2.907 2.088 3.145 . 0 0 "[ . 1 . 2]" 1
2295 1 90 PHE HA 1 91 PHE H . . 2.760 2.154 2.139 2.217 . 0 0 "[ . 1 . 2]" 1
2296 1 90 PHE HA 1 91 PHE QD . . 3.810 3.504 3.023 3.808 . 0 0 "[ . 1 . 2]" 1
2297 1 90 PHE HB2 1 91 PHE H . . 4.660 4.295 4.063 4.415 . 0 0 "[ . 1 . 2]" 1
2298 1 90 PHE HB3 1 91 PHE H . . 3.890 3.334 2.958 3.561 . 0 0 "[ . 1 . 2]" 1
2299 1 91 PHE H 1 91 PHE HB2 . . 4.070 2.710 2.604 2.917 . 0 0 "[ . 1 . 2]" 1
2300 1 91 PHE H 1 91 PHE QB . . 3.390 2.655 2.558 2.841 . 0 0 "[ . 1 . 2]" 1
2301 1 91 PHE H 1 91 PHE HB3 . . 4.070 3.811 3.746 3.915 . 0 0 "[ . 1 . 2]" 1
2302 1 91 PHE H 1 91 PHE QD . . 3.240 2.763 2.492 3.030 . 0 0 "[ . 1 . 2]" 1
2303 1 91 PHE H 1 91 PHE QE . . 4.910 4.759 4.564 4.909 . 0 0 "[ . 1 . 2]" 1
2304 1 91 PHE HA 1 91 PHE QD . . 3.810 2.976 2.791 3.151 . 0 0 "[ . 1 . 2]" 1
2305 1 91 PHE HA 1 92 GLY H . . 2.830 2.149 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
2306 1 91 PHE HA 1 92 GLY HA3 . . 4.670 4.380 4.348 4.394 . 0 0 "[ . 1 . 2]" 1
2307 1 91 PHE HA 1 93 VAL MG2 . . 4.860 4.703 4.525 4.853 . 0 0 "[ . 1 . 2]" 1
2308 1 91 PHE QB 1 92 GLY H . . 3.970 3.335 2.980 3.458 . 0 0 "[ . 1 . 2]" 1
2309 1 91 PHE QB 1 93 VAL MG2 . . 3.340 3.023 2.774 3.168 . 0 0 "[ . 1 . 2]" 1
2310 1 91 PHE HB2 1 92 GLY H . . 4.840 4.270 4.052 4.359 . 0 0 "[ . 1 . 2]" 1
2311 1 91 PHE HB2 1 93 VAL MG2 . . 3.950 3.535 3.231 3.863 . 0 0 "[ . 1 . 2]" 1
2312 1 91 PHE HB3 1 92 GLY H . . 4.840 3.483 3.066 3.628 . 0 0 "[ . 1 . 2]" 1
2313 1 91 PHE HB3 1 93 VAL MG2 . . 3.950 3.293 3.010 3.470 . 0 0 "[ . 1 . 2]" 1
2314 1 91 PHE QD 1 92 GLY H . . 4.780 4.426 4.089 4.599 . 0 0 "[ . 1 . 2]" 1
2315 1 92 GLY H 1 93 VAL H . . 4.990 4.367 4.048 4.537 . 0 0 "[ . 1 . 2]" 1
2316 1 92 GLY HA2 1 93 VAL H . . 3.080 2.159 2.138 2.260 . 0 0 "[ . 1 . 2]" 1
2317 1 92 GLY HA3 1 93 VAL H . . 3.480 3.317 3.162 3.484 0.004 20 0 "[ . 1 . 2]" 1
2318 1 93 VAL H 1 93 VAL HB . . 3.220 2.603 2.518 2.735 . 0 0 "[ . 1 . 2]" 1
2319 1 93 VAL H 1 93 VAL MG1 . . 3.990 3.829 3.794 3.885 . 0 0 "[ . 1 . 2]" 1
2320 1 93 VAL H 1 93 VAL MG2 . . 3.440 2.768 2.552 3.049 . 0 0 "[ . 1 . 2]" 1
2321 1 93 VAL H 1 94 THR H . . 5.400 4.448 4.263 4.547 . 0 0 "[ . 1 . 2]" 1
2322 1 93 VAL HA 1 93 VAL MG1 . . 3.180 2.393 2.310 2.497 . 0 0 "[ . 1 . 2]" 1
2323 1 93 VAL HA 1 93 VAL MG2 . . 3.110 2.325 2.222 2.437 . 0 0 "[ . 1 . 2]" 1
2324 1 93 VAL HB 1 94 THR H . . 4.670 4.027 3.856 4.264 . 0 0 "[ . 1 . 2]" 1
2325 1 93 VAL MG1 1 94 THR H . . 3.330 2.192 1.913 2.728 . 0 0 "[ . 1 . 2]" 1
2326 1 93 VAL MG1 1 94 THR HA . . 3.950 3.426 3.177 3.613 . 0 0 "[ . 1 . 2]" 1
2327 1 93 VAL MG1 1 95 VAL H . . 4.360 3.695 3.237 4.154 . 0 0 "[ . 1 . 2]" 1
2328 1 93 VAL MG1 1 95 VAL MG2 . . 2.770 2.522 2.264 2.727 . 0 0 "[ . 1 . 2]" 1
2329 1 93 VAL MG2 1 94 THR H . . 4.050 3.905 3.778 4.035 . 0 0 "[ . 1 . 2]" 1
2330 1 94 THR H 1 94 THR HB . . 3.200 2.766 2.652 2.859 . 0 0 "[ . 1 . 2]" 1
2331 1 94 THR H 1 94 THR MG . . 3.940 3.885 3.797 3.933 . 0 0 "[ . 1 . 2]" 1
2332 1 94 THR HA 1 94 THR MG . . 3.050 2.381 2.293 2.495 . 0 0 "[ . 1 . 2]" 1
2333 1 94 THR HA 1 95 VAL H . . 2.680 2.153 2.142 2.196 . 0 0 "[ . 1 . 2]" 1
2334 1 94 THR HB 1 95 VAL H . . 4.780 4.350 4.060 4.447 . 0 0 "[ . 1 . 2]" 1
2335 1 94 THR MG 1 95 VAL H . . 3.270 2.799 2.379 3.206 . 0 0 "[ . 1 . 2]" 1
2336 1 94 THR MG 1 96 GLN H . . 4.460 3.685 3.231 4.085 . 0 0 "[ . 1 . 2]" 1
2337 1 94 THR MG 1 96 GLN QB . . 4.240 3.854 3.112 4.053 . 0 0 "[ . 1 . 2]" 1
2338 1 94 THR MG 1 96 GLN HE21 . . 4.820 2.654 1.829 4.494 . 0 0 "[ . 1 . 2]" 1
2339 1 94 THR MG 1 96 GLN QE . . 4.070 2.581 1.818 3.938 . 0 0 "[ . 1 . 2]" 1
2340 1 94 THR MG 1 96 GLN HE22 . . 4.820 3.832 3.143 4.606 . 0 0 "[ . 1 . 2]" 1
2341 1 94 THR MG 1 96 GLN QG . . 3.430 2.198 1.937 3.190 . 0 0 "[ . 1 . 2]" 1
2342 1 95 VAL H 1 95 VAL HB . . 3.380 2.632 2.469 2.771 . 0 0 "[ . 1 . 2]" 1
2343 1 95 VAL H 1 95 VAL MG1 . . 4.140 3.830 3.775 3.906 . 0 0 "[ . 1 . 2]" 1
2344 1 95 VAL H 1 95 VAL MG2 . . 3.350 2.395 2.200 2.647 . 0 0 "[ . 1 . 2]" 1
2345 1 95 VAL HA 1 95 VAL MG1 . . 3.190 2.308 2.169 2.382 . 0 0 "[ . 1 . 2]" 1
2346 1 95 VAL HA 1 95 VAL MG2 . . 3.170 2.429 2.356 2.554 . 0 0 "[ . 1 . 2]" 1
2347 1 95 VAL HA 1 96 GLN H . . 2.700 2.176 2.142 2.211 . 0 0 "[ . 1 . 2]" 1
2348 1 95 VAL MG1 1 96 GLN H . . 3.290 3.079 2.493 3.294 0.004 10 0 "[ . 1 . 2]" 1
2349 1 95 VAL MG2 1 96 GLN H . . 4.450 4.243 4.070 4.321 . 0 0 "[ . 1 . 2]" 1
2350 1 96 GLN H 1 96 GLN QB . . 3.340 2.408 2.243 2.898 . 0 0 "[ . 1 . 2]" 1
2351 1 96 GLN H 1 96 GLN QG . . 3.560 2.758 1.853 3.154 . 0 0 "[ . 1 . 2]" 1
2352 1 96 GLN QB 1 96 GLN HE22 . . 4.920 3.868 3.192 4.140 . 0 0 "[ . 1 . 2]" 1
2353 1 96 GLN QB 1 97 ASP H . . 3.500 3.245 2.991 3.430 . 0 0 "[ . 1 . 2]" 1
2354 1 96 GLN QG 1 97 ASP H . . 4.530 4.042 3.751 4.412 . 0 0 "[ . 1 . 2]" 1
2355 1 97 ASP H 1 97 ASP HB2 . . 3.810 3.596 3.578 3.616 . 0 0 "[ . 1 . 2]" 1
2356 1 97 ASP H 1 97 ASP HB3 . . 3.000 2.576 2.423 2.827 . 0 0 "[ . 1 . 2]" 1
2357 1 97 ASP HA 1 98 PRO HD2 . . 2.960 2.136 2.085 2.218 . 0 0 "[ . 1 . 2]" 1
2358 1 97 ASP HA 1 98 PRO HD3 . . 2.930 2.255 2.251 2.263 . 0 0 "[ . 1 . 2]" 1
2359 1 97 ASP HA 1 98 PRO QG . . 4.760 3.850 3.825 3.893 . 0 0 "[ . 1 . 2]" 1
2360 1 97 ASP HB2 1 98 PRO HD2 . . 3.440 2.614 2.385 2.783 . 0 0 "[ . 1 . 2]" 1
2361 1 97 ASP HB2 1 98 PRO HD3 . . 4.160 3.964 3.776 4.097 . 0 0 "[ . 1 . 2]" 1
2362 1 97 ASP HB2 1 98 PRO QG . . 4.590 4.131 3.965 4.247 . 0 0 "[ . 1 . 2]" 1
2363 1 97 ASP HB3 1 98 PRO HD2 . . 3.870 3.672 3.503 3.803 . 0 0 "[ . 1 . 2]" 1
2364 1 97 ASP HB3 1 98 PRO HD3 . . 4.710 4.583 4.466 4.677 . 0 0 "[ . 1 . 2]" 1
2365 1 98 PRO HA 1 99 SER H . . 3.100 2.343 2.157 2.653 . 0 0 "[ . 1 . 2]" 1
2366 1 98 PRO QB 1 99 SER H . . 3.920 2.835 2.021 3.815 . 0 0 "[ . 1 . 2]" 1
2367 1 98 PRO HB2 1 99 SER H . . 4.560 2.974 2.043 4.147 . 0 0 "[ . 1 . 2]" 1
2368 1 98 PRO HB3 1 99 SER H . . 4.560 3.686 3.197 4.456 . 0 0 "[ . 1 . 2]" 1
2369 1 99 SER H 1 99 SER QB . . 3.500 2.537 2.253 3.158 . 0 0 "[ . 1 . 2]" 1
2370 1 99 SER QB 1 100 GLY H . . 4.300 3.424 2.296 4.058 . 0 0 "[ . 1 . 2]" 1
2371 1 100 GLY QA 1 101 PRO QB . . 4.870 4.277 4.269 4.298 . 0 0 "[ . 1 . 2]" 1
2372 1 100 GLY QA 1 101 PRO QG . . 4.590 3.679 3.650 3.700 . 0 0 "[ . 1 . 2]" 1
2373 1 100 GLY HA2 1 101 PRO QD . . 3.020 2.132 1.921 2.646 . 0 0 "[ . 1 . 2]" 1
2374 1 100 GLY HA3 1 101 PRO QD . . 3.020 2.536 1.958 2.911 . 0 0 "[ . 1 . 2]" 1
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