NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
405311 |
1x5g   |
11121 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1x5g
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 2220
_Distance_constraint_stats_list.Viol_count 814
_Distance_constraint_stats_list.Viol_total 217.628
_Distance_constraint_stats_list.Viol_max 0.199
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0134
_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 8 ARG 0.047 0.025 13 0 "[ . 1 . 2]"
1 9 VAL 0.048 0.025 13 0 "[ . 1 . 2]"
1 10 GLU 0.018 0.018 19 0 "[ . 1 . 2]"
1 11 THR 0.071 0.038 8 0 "[ . 1 . 2]"
1 12 GLN 0.054 0.038 8 0 "[ . 1 . 2]"
1 13 PRO 0.338 0.199 20 0 "[ . 1 . 2]"
1 14 GLU 0.338 0.199 20 0 "[ . 1 . 2]"
1 15 VAL 0.156 0.051 10 0 "[ . 1 . 2]"
1 16 GLN 0.413 0.103 18 0 "[ . 1 . 2]"
1 17 LEU 1.623 0.159 12 0 "[ . 1 . 2]"
1 18 PRO 0.597 0.065 19 0 "[ . 1 . 2]"
1 19 GLY 0.051 0.024 4 0 "[ . 1 . 2]"
1 20 PRO 0.049 0.016 4 0 "[ . 1 . 2]"
1 21 ALA 0.052 0.013 16 0 "[ . 1 . 2]"
1 22 PRO 1.547 0.108 18 0 "[ . 1 . 2]"
1 23 ASN 1.338 0.108 18 0 "[ . 1 . 2]"
1 24 LEU 0.075 0.015 15 0 "[ . 1 . 2]"
1 25 ARG 0.419 0.067 4 0 "[ . 1 . 2]"
1 26 ALA 0.141 0.017 13 0 "[ . 1 . 2]"
1 27 TYR 0.046 0.019 11 0 "[ . 1 . 2]"
1 28 ALA 0.056 0.013 16 0 "[ . 1 . 2]"
1 29 ALA 0.374 0.041 11 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.027 0.010 17 0 "[ . 1 . 2]"
1 32 THR 0.129 0.033 20 0 "[ . 1 . 2]"
1 33 SER 0.430 0.041 11 0 "[ . 1 . 2]"
1 34 ILE 0.164 0.019 11 0 "[ . 1 . 2]"
1 35 THR 0.029 0.011 3 0 "[ . 1 . 2]"
1 36 VAL 0.036 0.011 3 0 "[ . 1 . 2]"
1 37 THR 0.446 0.067 4 0 "[ . 1 . 2]"
1 38 TRP 0.160 0.021 11 0 "[ . 1 . 2]"
1 39 GLU 0.165 0.066 18 0 "[ . 1 . 2]"
1 40 THR 0.014 0.009 11 0 "[ . 1 . 2]"
1 41 PRO 0.028 0.013 16 0 "[ . 1 . 2]"
1 42 VAL 0.330 0.139 18 0 "[ . 1 . 2]"
1 43 SER 0.223 0.139 18 0 "[ . 1 . 2]"
1 44 GLY 0.013 0.008 9 0 "[ . 1 . 2]"
1 45 ASN 0.014 0.004 17 0 "[ . 1 . 2]"
1 47 GLU 0.130 0.130 15 0 "[ . 1 . 2]"
1 48 ILE 0.296 0.058 19 0 "[ . 1 . 2]"
1 49 GLN 0.022 0.012 16 0 "[ . 1 . 2]"
1 50 ASN 0.040 0.016 14 0 "[ . 1 . 2]"
1 51 TYR 0.029 0.006 13 0 "[ . 1 . 2]"
1 52 LYS 0.105 0.022 19 0 "[ . 1 . 2]"
1 53 LEU 0.024 0.010 9 0 "[ . 1 . 2]"
1 54 TYR 0.280 0.069 10 0 "[ . 1 . 2]"
1 55 TYR 0.110 0.019 7 0 "[ . 1 . 2]"
1 56 MET 0.932 0.055 10 0 "[ . 1 . 2]"
1 57 GLU 0.151 0.029 3 0 "[ . 1 . 2]"
1 58 LYS 0.078 0.015 7 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 THR 0.315 0.081 17 0 "[ . 1 . 2]"
1 61 ASP 0.022 0.011 11 0 "[ . 1 . 2]"
1 62 LYS 0.195 0.081 17 0 "[ . 1 . 2]"
1 63 GLU 0.330 0.069 10 0 "[ . 1 . 2]"
1 64 GLN 0.156 0.033 17 0 "[ . 1 . 2]"
1 65 ASP 0.099 0.018 10 0 "[ . 1 . 2]"
1 66 VAL 0.093 0.018 10 0 "[ . 1 . 2]"
1 67 ASP 0.011 0.004 9 0 "[ . 1 . 2]"
1 68 VAL 0.043 0.020 1 0 "[ . 1 . 2]"
1 69 SER 0.087 0.034 8 0 "[ . 1 . 2]"
1 70 SER 0.077 0.034 8 0 "[ . 1 . 2]"
1 71 HIS 0.028 0.012 13 0 "[ . 1 . 2]"
1 72 SER 0.033 0.012 13 0 "[ . 1 . 2]"
1 73 TYR 0.096 0.015 8 0 "[ . 1 . 2]"
1 74 THR 0.086 0.013 11 0 "[ . 1 . 2]"
1 75 ILE 0.101 0.032 19 0 "[ . 1 . 2]"
1 76 ASN 0.072 0.032 19 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.097 0.016 17 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.202 0.022 15 0 "[ . 1 . 2]"
1 81 TYR 0.026 0.007 7 0 "[ . 1 . 2]"
1 82 THR 0.021 0.007 13 0 "[ . 1 . 2]"
1 83 GLU 0.009 0.005 9 0 "[ . 1 . 2]"
1 84 TYR 0.035 0.012 16 0 "[ . 1 . 2]"
1 85 SER 0.182 0.029 10 0 "[ . 1 . 2]"
1 86 PHE 0.290 0.031 7 0 "[ . 1 . 2]"
1 87 ARG 0.129 0.024 7 0 "[ . 1 . 2]"
1 88 VAL 0.118 0.017 7 0 "[ . 1 . 2]"
1 89 VAL 0.035 0.018 9 0 "[ . 1 . 2]"
1 90 ALA 0.012 0.006 18 0 "[ . 1 . 2]"
1 91 TYR 0.064 0.016 14 0 "[ . 1 . 2]"
1 92 ASN 0.330 0.058 19 0 "[ . 1 . 2]"
1 93 LYS 0.071 0.031 12 0 "[ . 1 . 2]"
1 94 HIS 0.016 0.008 7 0 "[ . 1 . 2]"
1 95 GLY 0.087 0.031 12 0 "[ . 1 . 2]"
1 96 PRO 1.115 0.159 12 0 "[ . 1 . 2]"
1 97 GLY 0.497 0.065 19 0 "[ . 1 . 2]"
1 98 VAL 0.086 0.024 4 0 "[ . 1 . 2]"
1 99 SER 0.030 0.014 6 0 "[ . 1 . 2]"
1 100 THR 0.154 0.017 7 0 "[ . 1 . 2]"
1 101 PRO 0.108 0.021 13 0 "[ . 1 . 2]"
1 102 ASP 0.154 0.029 10 0 "[ . 1 . 2]"
1 103 VAL 1.042 0.063 9 0 "[ . 1 . 2]"
1 104 ALA 1.124 0.063 9 0 "[ . 1 . 2]"
1 105 VAL 0.365 0.038 18 0 "[ . 1 . 2]"
1 106 ARG 0.057 0.027 13 0 "[ . 1 . 2]"
1 107 THR 0.064 0.009 19 0 "[ . 1 . 2]"
1 108 LEU 0.008 0.005 16 0 "[ . 1 . 2]"
1 109 SER 0.047 0.016 18 0 "[ . 1 . 2]"
1 110 ASP 0.026 0.016 18 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 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 8 ARG H 1 8 ARG QG . . 4.730 3.075 1.885 4.424 . 0 0 "[ . 1 . 2]" 1
2 1 8 ARG HA 1 9 VAL H . . 3.170 2.316 2.142 2.785 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HA 1 9 VAL MG1 . . 5.500 4.395 3.473 5.525 0.025 13 0 "[ . 1 . 2]" 1
4 1 8 ARG HA 1 9 VAL MG2 . . 5.500 3.866 3.398 4.477 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG QB 1 8 ARG QG . . 2.350 2.052 2.012 2.086 . 0 0 "[ . 1 . 2]" 1
6 1 9 VAL H 1 9 VAL HB . . 3.810 3.369 2.508 3.811 0.001 1 0 "[ . 1 . 2]" 1
7 1 9 VAL H 1 9 VAL MG1 . . 4.460 3.051 2.149 3.880 . 0 0 "[ . 1 . 2]" 1
8 1 9 VAL H 1 9 VAL QG . . 3.850 2.127 1.838 2.976 . 0 0 "[ . 1 . 2]" 1
9 1 9 VAL H 1 9 VAL MG2 . . 4.460 2.182 1.862 3.091 . 0 0 "[ . 1 . 2]" 1
10 1 9 VAL HA 1 10 GLU H . . 3.250 2.321 2.142 3.005 . 0 0 "[ . 1 . 2]" 1
11 1 9 VAL HB 1 10 GLU H . . 4.610 3.380 2.112 4.444 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL QG 1 10 GLU H . . 4.720 3.044 2.115 3.622 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL QG 1 10 GLU HA . . 5.440 3.861 3.359 4.466 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL MG1 1 10 GLU H . . 5.410 3.420 2.124 4.394 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL MG2 1 10 GLU H . . 5.410 3.770 3.143 4.122 . 0 0 "[ . 1 . 2]" 1
16 1 10 GLU H 1 10 GLU QB . . 3.570 2.568 2.241 3.083 . 0 0 "[ . 1 . 2]" 1
17 1 10 GLU H 1 10 GLU QG . . 4.500 3.317 1.877 4.327 . 0 0 "[ . 1 . 2]" 1
18 1 10 GLU H 1 11 THR H . . 5.100 4.005 2.212 4.626 . 0 0 "[ . 1 . 2]" 1
19 1 10 GLU HA 1 10 GLU QG . . 3.740 2.760 2.154 3.454 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLU HA 1 11 THR H . . 3.330 2.383 2.138 3.348 0.018 19 0 "[ . 1 . 2]" 1
21 1 10 GLU QB 1 11 THR HA . . 5.340 4.419 3.836 4.864 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR H 1 11 THR MG . . 4.610 3.212 1.979 4.001 . 0 0 "[ . 1 . 2]" 1
23 1 11 THR H 1 12 GLN H . . 4.560 4.206 2.989 4.598 0.038 8 0 "[ . 1 . 2]" 1
24 1 11 THR HA 1 11 THR MG . . 3.490 2.434 2.173 3.202 . 0 0 "[ . 1 . 2]" 1
25 1 11 THR HA 1 12 GLN H . . 3.100 2.288 2.142 2.878 . 0 0 "[ . 1 . 2]" 1
26 1 11 THR HA 1 12 GLN QB . . 5.340 4.376 4.151 5.095 . 0 0 "[ . 1 . 2]" 1
27 1 11 THR HA 1 12 GLN QG . . 5.230 4.087 3.233 5.189 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR HB 1 12 GLN H . . 4.430 3.735 2.056 4.446 0.016 16 0 "[ . 1 . 2]" 1
29 1 11 THR MG 1 12 GLN H . . 4.780 3.362 2.050 4.386 . 0 0 "[ . 1 . 2]" 1
30 1 12 GLN H 1 12 GLN QB . . 3.410 2.641 2.193 3.375 . 0 0 "[ . 1 . 2]" 1
31 1 12 GLN H 1 12 GLN QG . . 4.300 2.798 1.918 3.626 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLN HA 1 12 GLN QG . . 4.010 2.880 2.235 3.440 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLN HA 1 13 PRO HD2 . . 3.020 2.234 1.921 2.497 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLN HA 1 13 PRO HD3 . . 3.020 2.283 2.251 2.427 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLN QB 1 13 PRO QD . . 3.550 2.380 1.976 3.201 . 0 0 "[ . 1 . 2]" 1
36 1 12 GLN QG 1 13 PRO QD . . 4.630 3.518 2.464 4.345 . 0 0 "[ . 1 . 2]" 1
37 1 13 PRO HA 1 14 GLU H . . 3.080 2.568 2.338 3.279 0.199 20 0 "[ . 1 . 2]" 1
38 1 13 PRO QB 1 14 GLU H . . 3.630 2.345 1.889 3.746 0.116 20 0 "[ . 1 . 2]" 1
39 1 13 PRO QD 1 14 GLU H . . 4.960 4.772 2.987 4.981 0.021 16 0 "[ . 1 . 2]" 1
40 1 13 PRO QG 1 14 GLU H . . 4.500 3.912 3.330 4.278 . 0 0 "[ . 1 . 2]" 1
41 1 14 GLU H 1 14 GLU HB2 . . 4.110 2.674 2.223 3.901 . 0 0 "[ . 1 . 2]" 1
42 1 14 GLU H 1 14 GLU QB . . 3.290 2.441 2.161 3.054 . 0 0 "[ . 1 . 2]" 1
43 1 14 GLU H 1 14 GLU HB3 . . 4.110 3.349 2.517 3.850 . 0 0 "[ . 1 . 2]" 1
44 1 14 GLU H 1 14 GLU HG2 . . 5.100 3.526 1.900 4.529 . 0 0 "[ . 1 . 2]" 1
45 1 14 GLU H 1 14 GLU QG . . 4.450 3.057 1.889 4.059 . 0 0 "[ . 1 . 2]" 1
46 1 14 GLU H 1 14 GLU HG3 . . 5.100 3.732 2.839 4.600 . 0 0 "[ . 1 . 2]" 1
47 1 14 GLU H 1 15 VAL H . . 4.660 4.407 3.093 4.642 . 0 0 "[ . 1 . 2]" 1
48 1 14 GLU HA 1 14 GLU HG2 . . 4.240 3.163 2.292 3.823 . 0 0 "[ . 1 . 2]" 1
49 1 14 GLU HA 1 14 GLU QG . . 3.710 2.673 2.208 3.449 . 0 0 "[ . 1 . 2]" 1
50 1 14 GLU HA 1 14 GLU HG3 . . 4.240 3.139 2.231 4.234 . 0 0 "[ . 1 . 2]" 1
51 1 14 GLU HA 1 15 VAL H . . 2.830 2.373 2.142 2.677 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLU HA 1 15 VAL QG . . 4.700 3.523 3.155 3.962 . 0 0 "[ . 1 . 2]" 1
53 1 14 GLU QB 1 15 VAL H . . 3.920 2.800 1.914 3.894 . 0 0 "[ . 1 . 2]" 1
54 1 14 GLU HB2 1 15 VAL H . . 4.500 3.717 3.053 4.416 . 0 0 "[ . 1 . 2]" 1
55 1 14 GLU HB3 1 15 VAL H . . 4.500 3.117 1.924 4.350 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLU QG 1 15 VAL H . . 4.830 3.684 1.993 4.533 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLU HG2 1 15 VAL H . . 5.500 4.281 2.006 5.195 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLU HG3 1 15 VAL H . . 5.500 4.206 2.756 5.389 . 0 0 "[ . 1 . 2]" 1
59 1 15 VAL H 1 15 VAL HB . . 3.790 3.245 2.489 3.758 . 0 0 "[ . 1 . 2]" 1
60 1 15 VAL H 1 15 VAL MG1 . . 4.040 2.995 1.927 3.993 . 0 0 "[ . 1 . 2]" 1
61 1 15 VAL H 1 15 VAL QG . . 3.290 2.261 1.841 2.954 . 0 0 "[ . 1 . 2]" 1
62 1 15 VAL H 1 15 VAL MG2 . . 4.040 2.724 1.884 4.032 . 0 0 "[ . 1 . 2]" 1
63 1 15 VAL HA 1 15 VAL MG1 . . 3.610 2.526 2.106 3.194 . 0 0 "[ . 1 . 2]" 1
64 1 15 VAL HA 1 15 VAL QG . . 3.140 2.185 2.018 2.353 . 0 0 "[ . 1 . 2]" 1
65 1 15 VAL HA 1 15 VAL MG2 . . 3.610 2.693 2.178 3.203 . 0 0 "[ . 1 . 2]" 1
66 1 15 VAL HA 1 16 GLN H . . 3.520 2.773 2.158 3.571 0.051 10 0 "[ . 1 . 2]" 1
67 1 15 VAL HA 1 17 LEU H . . 5.460 4.276 3.435 5.488 0.028 8 0 "[ . 1 . 2]" 1
68 1 15 VAL HB 1 16 GLN H . . 4.300 3.435 1.908 4.305 0.005 20 0 "[ . 1 . 2]" 1
69 1 15 VAL QG 1 16 GLN H . . 4.190 2.605 1.780 3.721 . 0 0 "[ . 1 . 2]" 1
70 1 15 VAL QG 1 16 GLN HA . . 4.920 3.786 3.320 4.256 . 0 0 "[ . 1 . 2]" 1
71 1 15 VAL QG 1 16 GLN QG . . 4.420 3.508 1.971 4.452 0.032 8 0 "[ . 1 . 2]" 1
72 1 16 GLN H 1 16 GLN HB2 . . 4.040 3.153 2.367 3.805 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLN H 1 16 GLN HB3 . . 4.040 3.331 2.698 4.065 0.025 6 0 "[ . 1 . 2]" 1
74 1 16 GLN H 1 16 GLN HG2 . . 4.920 3.087 1.875 4.710 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLN H 1 16 GLN QG . . 4.220 2.480 1.851 4.033 . 0 0 "[ . 1 . 2]" 1
76 1 16 GLN H 1 16 GLN HG3 . . 4.920 3.034 1.896 4.384 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLN H 1 17 LEU QD . . 4.720 3.264 2.509 4.536 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLN HA 1 17 LEU H . . 3.240 2.574 2.168 2.877 . 0 0 "[ . 1 . 2]" 1
79 1 16 GLN HA 1 17 LEU QD . . 4.570 4.010 3.639 4.673 0.103 18 0 "[ . 1 . 2]" 1
80 1 16 GLN HA 1 45 ASN QB . . 4.480 3.826 3.117 4.484 0.004 8 0 "[ . 1 . 2]" 1
81 1 16 GLN QB 1 17 LEU QD . . 4.560 3.694 2.961 4.410 . 0 0 "[ . 1 . 2]" 1
82 1 16 GLN HB2 1 17 LEU H . . 5.330 4.401 4.181 4.561 . 0 0 "[ . 1 . 2]" 1
83 1 16 GLN HB2 1 45 ASN QB . . 4.860 3.856 2.677 4.862 0.002 3 0 "[ . 1 . 2]" 1
84 1 16 GLN HB3 1 17 LEU H . . 5.330 4.363 3.773 4.655 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLN HB3 1 45 ASN QB . . 4.860 3.755 2.372 4.864 0.004 17 0 "[ . 1 . 2]" 1
86 1 16 GLN HG2 1 17 LEU H . . 5.500 4.830 3.869 5.508 0.008 7 0 "[ . 1 . 2]" 1
87 1 16 GLN HG3 1 17 LEU H . . 5.500 4.981 4.041 5.551 0.051 8 0 "[ . 1 . 2]" 1
88 1 17 LEU H 1 17 LEU HB2 . . 3.070 2.401 2.163 2.815 . 0 0 "[ . 1 . 2]" 1
89 1 17 LEU H 1 17 LEU HB3 . . 3.980 3.574 3.471 3.858 . 0 0 "[ . 1 . 2]" 1
90 1 17 LEU H 1 17 LEU MD1 . . 4.520 3.425 2.339 4.267 . 0 0 "[ . 1 . 2]" 1
91 1 17 LEU H 1 17 LEU QD . . 3.930 2.836 2.307 3.799 . 0 0 "[ . 1 . 2]" 1
92 1 17 LEU H 1 17 LEU MD2 . . 4.520 3.522 2.502 4.329 . 0 0 "[ . 1 . 2]" 1
93 1 17 LEU H 1 17 LEU HG . . 5.290 4.408 3.439 4.735 . 0 0 "[ . 1 . 2]" 1
94 1 17 LEU H 1 18 PRO HD3 . . 5.500 5.043 4.866 5.100 . 0 0 "[ . 1 . 2]" 1
95 1 17 LEU HA 1 17 LEU MD1 . . 4.550 2.172 1.921 3.886 . 0 0 "[ . 1 . 2]" 1
96 1 17 LEU HA 1 17 LEU QD . . 3.260 1.973 1.842 2.285 . 0 0 "[ . 1 . 2]" 1
97 1 17 LEU HA 1 17 LEU MD2 . . 4.550 3.155 2.130 3.814 . 0 0 "[ . 1 . 2]" 1
98 1 17 LEU HA 1 18 PRO HD2 . . 3.650 2.503 2.427 2.544 . 0 0 "[ . 1 . 2]" 1
99 1 17 LEU HA 1 18 PRO HD3 . . 3.430 2.346 2.310 2.367 . 0 0 "[ . 1 . 2]" 1
100 1 17 LEU HA 1 18 PRO HG2 . . 5.500 4.597 4.534 4.631 . 0 0 "[ . 1 . 2]" 1
101 1 17 LEU HA 1 18 PRO HG3 . . 5.500 4.538 4.488 4.565 . 0 0 "[ . 1 . 2]" 1
102 1 17 LEU HA 1 92 ASN QD . . 4.320 3.160 2.192 4.330 0.010 19 0 "[ . 1 . 2]" 1
103 1 17 LEU HA 1 97 GLY HA2 . . 5.290 4.526 4.276 4.924 . 0 0 "[ . 1 . 2]" 1
104 1 17 LEU HB2 1 17 LEU QD . . 2.900 2.125 1.946 2.366 . 0 0 "[ . 1 . 2]" 1
105 1 17 LEU HB2 1 18 PRO HD2 . . 4.280 3.594 3.554 3.687 . 0 0 "[ . 1 . 2]" 1
106 1 17 LEU HB2 1 18 PRO HD3 . . 4.710 4.676 4.647 4.735 0.025 8 0 "[ . 1 . 2]" 1
107 1 17 LEU HB2 1 97 GLY HA2 . . 4.120 3.171 2.859 3.525 . 0 0 "[ . 1 . 2]" 1
108 1 17 LEU HB2 1 97 GLY HA3 . . 4.670 3.789 3.398 4.086 . 0 0 "[ . 1 . 2]" 1
109 1 17 LEU HB3 1 17 LEU MD1 . . 3.380 2.810 2.346 3.165 . 0 0 "[ . 1 . 2]" 1
110 1 17 LEU HB3 1 17 LEU MD2 . . 3.380 2.762 2.163 3.196 . 0 0 "[ . 1 . 2]" 1
111 1 17 LEU HB3 1 18 PRO HD2 . . 3.830 2.018 1.978 2.170 . 0 0 "[ . 1 . 2]" 1
112 1 17 LEU HB3 1 18 PRO HD3 . . 4.150 3.455 3.421 3.581 . 0 0 "[ . 1 . 2]" 1
113 1 17 LEU HB3 1 97 GLY HA2 . . 3.930 2.163 1.988 2.536 . 0 0 "[ . 1 . 2]" 1
114 1 17 LEU HB3 1 97 GLY HA3 . . 4.160 2.227 1.987 2.480 . 0 0 "[ . 1 . 2]" 1
115 1 17 LEU QD 1 18 PRO HD2 . . 3.200 2.566 1.797 3.161 . 0 0 "[ . 1 . 2]" 1
116 1 17 LEU QD 1 18 PRO HD3 . . 3.550 3.002 2.291 3.544 . 0 0 "[ . 1 . 2]" 1
117 1 17 LEU QD 1 94 HIS H . . 4.980 4.495 4.038 4.754 . 0 0 "[ . 1 . 2]" 1
118 1 17 LEU QD 1 94 HIS HB2 . . 3.650 2.480 1.969 2.923 . 0 0 "[ . 1 . 2]" 1
119 1 17 LEU QD 1 94 HIS HB3 . . 3.640 2.801 1.964 3.581 . 0 0 "[ . 1 . 2]" 1
120 1 17 LEU QD 1 94 HIS HD2 . . 5.230 4.017 3.550 4.824 . 0 0 "[ . 1 . 2]" 1
121 1 17 LEU QD 1 95 GLY H . . 3.730 2.828 2.375 3.307 . 0 0 "[ . 1 . 2]" 1
122 1 17 LEU QD 1 95 GLY HA2 . . 4.310 3.903 3.481 4.308 . 0 0 "[ . 1 . 2]" 1
123 1 17 LEU QD 1 95 GLY HA3 . . 3.280 2.873 2.400 3.198 . 0 0 "[ . 1 . 2]" 1
124 1 17 LEU QD 1 96 PRO HA . . 4.520 3.912 3.178 4.521 0.001 1 0 "[ . 1 . 2]" 1
125 1 17 LEU QD 1 96 PRO HD2 . . 5.440 3.727 3.371 4.079 . 0 0 "[ . 1 . 2]" 1
126 1 17 LEU QD 1 97 GLY HA2 . . 3.940 2.097 1.863 2.306 . 0 0 "[ . 1 . 2]" 1
127 1 17 LEU QD 1 97 GLY HA3 . . 4.960 3.056 2.617 3.527 . 0 0 "[ . 1 . 2]" 1
128 1 17 LEU MD1 1 18 PRO HD2 . . 4.730 2.876 1.800 3.941 . 0 0 "[ . 1 . 2]" 1
129 1 17 LEU MD1 1 18 PRO HD3 . . 5.050 3.267 2.301 5.110 0.060 15 0 "[ . 1 . 2]" 1
130 1 17 LEU MD1 1 94 HIS HB2 . . 5.070 2.793 1.970 4.916 . 0 0 "[ . 1 . 2]" 1
131 1 17 LEU MD1 1 95 GLY HA2 . . 5.500 4.259 3.645 5.504 0.004 18 0 "[ . 1 . 2]" 1
132 1 17 LEU MD1 1 95 GLY HA3 . . 4.410 3.146 2.733 4.194 . 0 0 "[ . 1 . 2]" 1
133 1 17 LEU MD1 1 96 PRO HA . . 5.500 4.616 3.195 5.506 0.006 7 0 "[ . 1 . 2]" 1
134 1 17 LEU MD1 1 97 GLY HA2 . . 4.500 3.240 1.991 4.281 . 0 0 "[ . 1 . 2]" 1
135 1 17 LEU MD2 1 18 PRO HD2 . . 4.730 3.591 2.196 3.921 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU MD2 1 18 PRO HD3 . . 5.050 4.434 2.837 4.948 . 0 0 "[ . 1 . 2]" 1
137 1 17 LEU MD2 1 94 HIS HB2 . . 5.070 4.136 2.443 5.078 0.008 7 0 "[ . 1 . 2]" 1
138 1 17 LEU MD2 1 95 GLY HA2 . . 5.500 4.953 3.531 5.404 . 0 0 "[ . 1 . 2]" 1
139 1 17 LEU MD2 1 95 GLY HA3 . . 4.410 3.681 2.414 4.152 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU MD2 1 96 PRO HA . . 5.500 4.930 3.683 5.659 0.159 12 0 "[ . 1 . 2]" 1
141 1 17 LEU MD2 1 97 GLY HA2 . . 4.500 2.684 1.926 3.820 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU HG 1 97 GLY H . . 5.170 3.931 3.052 5.190 0.020 18 0 "[ . 1 . 2]" 1
143 1 17 LEU HG 1 97 GLY HA2 . . 5.040 2.672 1.997 4.087 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU HG 1 97 GLY HA3 . . 5.060 3.687 3.262 4.828 . 0 0 "[ . 1 . 2]" 1
145 1 18 PRO HA 1 19 GLY H . . 3.060 2.412 2.233 2.619 . 0 0 "[ . 1 . 2]" 1
146 1 18 PRO HA 1 44 GLY HA2 . . 4.330 2.627 2.056 4.243 . 0 0 "[ . 1 . 2]" 1
147 1 18 PRO HA 1 44 GLY QA . . 3.760 2.302 1.976 2.573 . 0 0 "[ . 1 . 2]" 1
148 1 18 PRO HA 1 44 GLY HA3 . . 4.330 2.862 2.059 3.686 . 0 0 "[ . 1 . 2]" 1
149 1 18 PRO HA 1 48 ILE MD . . 4.220 3.996 3.350 4.221 0.001 11 0 "[ . 1 . 2]" 1
150 1 18 PRO HA 1 90 ALA MB . . 4.720 4.354 3.987 4.640 . 0 0 "[ . 1 . 2]" 1
151 1 18 PRO HA 1 92 ASN HD21 . . 5.500 4.478 3.285 5.167 . 0 0 "[ . 1 . 2]" 1
152 1 18 PRO HA 1 92 ASN HD22 . . 5.500 4.284 3.552 5.141 . 0 0 "[ . 1 . 2]" 1
153 1 18 PRO HB2 1 19 GLY H . . 4.210 2.613 2.121 3.123 . 0 0 "[ . 1 . 2]" 1
154 1 18 PRO HB2 1 19 GLY HA2 . . 5.180 4.460 4.226 4.712 . 0 0 "[ . 1 . 2]" 1
155 1 18 PRO HB2 1 48 ILE MD . . 3.390 2.754 2.237 3.143 . 0 0 "[ . 1 . 2]" 1
156 1 18 PRO HB2 1 90 ALA MB . . 3.120 2.185 1.855 2.496 . 0 0 "[ . 1 . 2]" 1
157 1 18 PRO HB2 1 97 GLY H . . 5.310 4.969 4.473 5.375 0.065 19 0 "[ . 1 . 2]" 1
158 1 18 PRO HB2 1 97 GLY HA3 . . 4.940 4.482 4.207 4.708 . 0 0 "[ . 1 . 2]" 1
159 1 18 PRO HB3 1 19 GLY H . . 3.790 3.462 3.230 3.740 . 0 0 "[ . 1 . 2]" 1
160 1 18 PRO HB3 1 48 ILE MD . . 3.610 2.295 1.845 2.606 . 0 0 "[ . 1 . 2]" 1
161 1 18 PRO HB3 1 48 ILE MG . . 5.380 4.750 3.758 5.201 . 0 0 "[ . 1 . 2]" 1
162 1 18 PRO HB3 1 90 ALA MB . . 3.520 2.988 2.405 3.374 . 0 0 "[ . 1 . 2]" 1
163 1 18 PRO HB3 1 92 ASN QB . . 5.050 3.944 3.453 4.585 . 0 0 "[ . 1 . 2]" 1
164 1 18 PRO HB3 1 92 ASN QD . . 4.220 2.930 1.884 4.039 . 0 0 "[ . 1 . 2]" 1
165 1 18 PRO HB3 1 97 GLY HA3 . . 5.500 5.212 4.913 5.474 . 0 0 "[ . 1 . 2]" 1
166 1 18 PRO HD2 1 90 ALA MB . . 5.150 4.013 3.813 4.211 . 0 0 "[ . 1 . 2]" 1
167 1 18 PRO HD2 1 92 ASN H . . 5.500 4.539 3.860 4.845 . 0 0 "[ . 1 . 2]" 1
168 1 18 PRO HD2 1 92 ASN QD . . 4.870 3.685 3.306 4.604 . 0 0 "[ . 1 . 2]" 1
169 1 18 PRO HD2 1 97 GLY H . . 4.140 2.796 2.293 3.276 . 0 0 "[ . 1 . 2]" 1
170 1 18 PRO HD2 1 97 GLY HA2 . . 4.040 3.119 2.788 3.408 . 0 0 "[ . 1 . 2]" 1
171 1 18 PRO HD2 1 97 GLY HA3 . . 3.920 2.465 2.123 2.814 . 0 0 "[ . 1 . 2]" 1
172 1 18 PRO HD2 1 98 VAL H . . 5.070 4.604 4.156 4.925 . 0 0 "[ . 1 . 2]" 1
173 1 18 PRO HD3 1 92 ASN H . . 4.620 4.045 3.393 4.526 . 0 0 "[ . 1 . 2]" 1
174 1 18 PRO HD3 1 92 ASN HD21 . . 4.850 2.820 1.899 3.353 . 0 0 "[ . 1 . 2]" 1
175 1 18 PRO HD3 1 92 ASN QD . . 4.170 2.184 1.871 3.075 . 0 0 "[ . 1 . 2]" 1
176 1 18 PRO HD3 1 92 ASN HD22 . . 4.850 2.586 1.898 3.755 . 0 0 "[ . 1 . 2]" 1
177 1 18 PRO HD3 1 95 GLY H . . 4.560 4.086 3.556 4.570 0.010 14 0 "[ . 1 . 2]" 1
178 1 18 PRO HD3 1 97 GLY H . . 4.810 4.140 3.610 4.680 . 0 0 "[ . 1 . 2]" 1
179 1 18 PRO HD3 1 97 GLY HA2 . . 5.180 4.871 4.540 5.170 . 0 0 "[ . 1 . 2]" 1
180 1 18 PRO HD3 1 97 GLY HA3 . . 4.450 4.146 3.820 4.453 0.003 7 0 "[ . 1 . 2]" 1
181 1 18 PRO HG2 1 19 GLY HA2 . . 5.500 5.106 4.804 5.390 . 0 0 "[ . 1 . 2]" 1
182 1 18 PRO HG2 1 90 ALA MB . . 3.820 2.043 1.929 2.280 . 0 0 "[ . 1 . 2]" 1
183 1 18 PRO HG2 1 91 TYR HA . . 4.890 4.706 4.020 4.898 0.008 16 0 "[ . 1 . 2]" 1
184 1 18 PRO HG2 1 92 ASN H . . 5.110 4.812 4.288 5.115 0.005 6 0 "[ . 1 . 2]" 1
185 1 18 PRO HG2 1 92 ASN QB . . 5.340 4.807 4.090 5.292 . 0 0 "[ . 1 . 2]" 1
186 1 18 PRO HG2 1 97 GLY H . . 4.640 2.676 2.173 3.093 . 0 0 "[ . 1 . 2]" 1
187 1 18 PRO HG2 1 97 GLY HA3 . . 4.650 2.594 2.247 2.965 . 0 0 "[ . 1 . 2]" 1
188 1 18 PRO HG3 1 48 ILE MD . . 3.830 2.941 2.582 3.369 . 0 0 "[ . 1 . 2]" 1
189 1 18 PRO HG3 1 90 ALA MB . . 4.270 2.282 1.961 2.591 . 0 0 "[ . 1 . 2]" 1
190 1 18 PRO HG3 1 91 TYR HA . . 5.060 3.949 3.300 4.346 . 0 0 "[ . 1 . 2]" 1
191 1 18 PRO HG3 1 92 ASN H . . 4.150 3.549 3.114 4.005 . 0 0 "[ . 1 . 2]" 1
192 1 18 PRO HG3 1 92 ASN QB . . 4.340 3.284 2.699 3.660 . 0 0 "[ . 1 . 2]" 1
193 1 18 PRO HG3 1 92 ASN HD21 . . 4.730 3.821 2.695 4.535 . 0 0 "[ . 1 . 2]" 1
194 1 18 PRO HG3 1 92 ASN QD . . 4.100 3.291 2.188 3.907 . 0 0 "[ . 1 . 2]" 1
195 1 18 PRO HG3 1 92 ASN HD22 . . 4.730 3.656 2.240 4.288 . 0 0 "[ . 1 . 2]" 1
196 1 19 GLY H 1 41 PRO HB2 . . 4.670 2.912 2.435 3.440 . 0 0 "[ . 1 . 2]" 1
197 1 19 GLY H 1 41 PRO HB3 . . 5.110 3.852 3.472 4.380 . 0 0 "[ . 1 . 2]" 1
198 1 19 GLY H 1 98 VAL MG2 . . 5.160 4.645 4.095 4.834 . 0 0 "[ . 1 . 2]" 1
199 1 19 GLY HA2 1 20 PRO HD2 . . 3.490 2.684 2.584 2.787 . 0 0 "[ . 1 . 2]" 1
200 1 19 GLY HA2 1 20 PRO HD3 . . 3.430 2.453 2.388 2.527 . 0 0 "[ . 1 . 2]" 1
201 1 19 GLY HA2 1 20 PRO HG2 . . 5.320 4.747 4.662 4.834 . 0 0 "[ . 1 . 2]" 1
202 1 19 GLY HA2 1 41 PRO HB2 . . 5.500 4.635 4.171 5.467 . 0 0 "[ . 1 . 2]" 1
203 1 19 GLY HA2 1 41 PRO HB3 . . 5.500 4.783 4.419 5.260 . 0 0 "[ . 1 . 2]" 1
204 1 19 GLY HA2 1 98 VAL HB . . 5.500 5.360 4.757 5.524 0.024 4 0 "[ . 1 . 2]" 1
205 1 19 GLY HA2 1 98 VAL MG2 . . 4.030 2.490 1.969 2.937 . 0 0 "[ . 1 . 2]" 1
206 1 19 GLY HA3 1 20 PRO HD2 . . 3.300 2.349 2.257 2.443 . 0 0 "[ . 1 . 2]" 1
207 1 19 GLY HA3 1 20 PRO HD3 . . 3.540 3.236 3.138 3.331 . 0 0 "[ . 1 . 2]" 1
208 1 19 GLY HA3 1 20 PRO HG2 . . 4.770 4.402 4.333 4.472 . 0 0 "[ . 1 . 2]" 1
209 1 19 GLY HA3 1 41 PRO HB3 . . 4.770 3.483 3.142 4.057 . 0 0 "[ . 1 . 2]" 1
210 1 19 GLY HA3 1 98 VAL MG2 . . 4.320 3.780 3.333 4.017 . 0 0 "[ . 1 . 2]" 1
211 1 20 PRO QB 1 21 ALA H . . 4.110 3.341 3.056 3.583 . 0 0 "[ . 1 . 2]" 1
212 1 20 PRO QB 1 98 VAL MG2 . . 3.590 2.279 1.900 2.787 . 0 0 "[ . 1 . 2]" 1
213 1 20 PRO QB 1 100 THR H . . 4.630 3.885 3.527 4.118 . 0 0 "[ . 1 . 2]" 1
214 1 20 PRO QB 1 100 THR HA . . 3.700 2.894 2.581 3.173 . 0 0 "[ . 1 . 2]" 1
215 1 20 PRO QB 1 101 PRO QD . . 4.610 3.552 3.297 3.812 . 0 0 "[ . 1 . 2]" 1
216 1 20 PRO HB2 1 98 VAL MG2 . . 4.310 3.732 3.301 4.222 . 0 0 "[ . 1 . 2]" 1
217 1 20 PRO HB3 1 98 VAL MG2 . . 4.310 2.300 1.912 2.831 . 0 0 "[ . 1 . 2]" 1
218 1 20 PRO HD2 1 98 VAL MG2 . . 3.910 3.228 2.991 3.370 . 0 0 "[ . 1 . 2]" 1
219 1 20 PRO HD3 1 98 VAL HB . . 4.510 4.011 3.330 4.273 . 0 0 "[ . 1 . 2]" 1
220 1 20 PRO HD3 1 98 VAL MG2 . . 3.140 1.843 1.770 1.960 . 0 0 "[ . 1 . 2]" 1
221 1 20 PRO HG2 1 98 VAL MG2 . . 4.440 3.869 3.610 4.139 . 0 0 "[ . 1 . 2]" 1
222 1 20 PRO HG2 1 100 THR MG . . 4.510 4.284 4.026 4.521 0.011 7 0 "[ . 1 . 2]" 1
223 1 20 PRO HG3 1 98 VAL HB . . 4.950 4.657 4.040 4.966 0.016 4 0 "[ . 1 . 2]" 1
224 1 20 PRO HG3 1 98 VAL MG2 . . 3.820 2.922 2.559 3.208 . 0 0 "[ . 1 . 2]" 1
225 1 20 PRO HG3 1 100 THR HA . . 5.180 4.874 4.443 5.184 0.004 6 0 "[ . 1 . 2]" 1
226 1 21 ALA H 1 21 ALA MB . . 3.170 2.148 2.027 2.235 . 0 0 "[ . 1 . 2]" 1
227 1 21 ALA H 1 22 PRO HD3 . . 5.330 4.490 4.384 4.618 . 0 0 "[ . 1 . 2]" 1
228 1 21 ALA H 1 41 PRO HB3 . . 5.500 4.248 3.816 4.513 . 0 0 "[ . 1 . 2]" 1
229 1 21 ALA H 1 41 PRO HG3 . . 4.940 4.153 3.705 4.509 . 0 0 "[ . 1 . 2]" 1
230 1 21 ALA H 1 88 VAL MG1 . . 4.940 3.866 3.280 4.379 . 0 0 "[ . 1 . 2]" 1
231 1 21 ALA H 1 89 VAL HA . . 5.500 4.980 4.722 5.409 . 0 0 "[ . 1 . 2]" 1
232 1 21 ALA H 1 98 VAL MG2 . . 5.100 4.556 3.869 5.085 . 0 0 "[ . 1 . 2]" 1
233 1 21 ALA H 1 100 THR MG . . 3.240 2.477 2.182 2.955 . 0 0 "[ . 1 . 2]" 1
234 1 21 ALA HA 1 22 PRO HD2 . . 3.250 1.941 1.920 1.975 . 0 0 "[ . 1 . 2]" 1
235 1 21 ALA HA 1 22 PRO HD3 . . 3.160 2.383 2.329 2.436 . 0 0 "[ . 1 . 2]" 1
236 1 21 ALA HA 1 41 PRO HB2 . . 4.820 4.652 4.379 4.790 . 0 0 "[ . 1 . 2]" 1
237 1 21 ALA HA 1 41 PRO HB3 . . 3.880 3.019 2.750 3.153 . 0 0 "[ . 1 . 2]" 1
238 1 21 ALA HA 1 41 PRO QD . . 4.230 2.253 2.060 2.849 . 0 0 "[ . 1 . 2]" 1
239 1 21 ALA HA 1 41 PRO HG3 . . 3.890 3.566 3.261 3.889 . 0 0 "[ . 1 . 2]" 1
240 1 21 ALA HA 1 100 THR MG . . 4.780 4.191 3.947 4.506 . 0 0 "[ . 1 . 2]" 1
241 1 21 ALA MB 1 22 PRO HA . . 4.590 4.558 4.534 4.578 . 0 0 "[ . 1 . 2]" 1
242 1 21 ALA MB 1 22 PRO HD2 . . 4.090 3.134 2.983 3.244 . 0 0 "[ . 1 . 2]" 1
243 1 21 ALA MB 1 22 PRO HD3 . . 4.090 3.961 3.883 4.013 . 0 0 "[ . 1 . 2]" 1
244 1 21 ALA MB 1 24 LEU H . . 5.460 5.216 5.025 5.436 . 0 0 "[ . 1 . 2]" 1
245 1 21 ALA MB 1 24 LEU HA . . 5.200 4.495 4.263 4.763 . 0 0 "[ . 1 . 2]" 1
246 1 21 ALA MB 1 24 LEU MD1 . . 3.900 3.190 2.805 3.536 . 0 0 "[ . 1 . 2]" 1
247 1 21 ALA MB 1 38 TRP HA . . 4.660 4.196 3.862 4.517 . 0 0 "[ . 1 . 2]" 1
248 1 21 ALA MB 1 38 TRP HB2 . . 3.240 2.230 1.964 2.525 . 0 0 "[ . 1 . 2]" 1
249 1 21 ALA MB 1 38 TRP HB3 . . 3.860 3.541 3.274 3.746 . 0 0 "[ . 1 . 2]" 1
250 1 21 ALA MB 1 38 TRP HD1 . . 3.390 2.618 2.484 2.830 . 0 0 "[ . 1 . 2]" 1
251 1 21 ALA MB 1 38 TRP HE1 . . 4.370 4.314 4.156 4.377 0.007 5 0 "[ . 1 . 2]" 1
252 1 21 ALA MB 1 38 TRP HE3 . . 5.500 5.353 5.133 5.497 . 0 0 "[ . 1 . 2]" 1
253 1 21 ALA MB 1 39 GLU H . . 3.970 2.929 2.735 3.210 . 0 0 "[ . 1 . 2]" 1
254 1 21 ALA MB 1 41 PRO HB3 . . 4.670 4.378 4.120 4.511 . 0 0 "[ . 1 . 2]" 1
255 1 21 ALA MB 1 41 PRO QD . . 3.850 2.695 2.321 2.901 . 0 0 "[ . 1 . 2]" 1
256 1 21 ALA MB 1 41 PRO HG3 . . 4.130 4.022 3.682 4.143 0.013 16 0 "[ . 1 . 2]" 1
257 1 21 ALA MB 1 51 TYR HE1 . . 4.070 3.635 3.143 4.072 0.002 5 0 "[ . 1 . 2]" 1
258 1 21 ALA MB 1 88 VAL HB . . 3.680 2.782 2.522 3.203 . 0 0 "[ . 1 . 2]" 1
259 1 21 ALA MB 1 88 VAL MG1 . . 3.360 2.444 2.017 3.017 . 0 0 "[ . 1 . 2]" 1
260 1 21 ALA MB 1 88 VAL MG2 . . 3.920 3.460 3.215 3.831 . 0 0 "[ . 1 . 2]" 1
261 1 21 ALA MB 1 100 THR MG . . 3.090 2.607 2.321 3.004 . 0 0 "[ . 1 . 2]" 1
262 1 22 PRO HA 1 23 ASN H . . 2.690 2.553 2.455 2.599 . 0 0 "[ . 1 . 2]" 1
263 1 22 PRO HA 1 23 ASN HA . . 4.550 4.552 4.519 4.568 0.018 3 0 "[ . 1 . 2]" 1
264 1 22 PRO HA 1 23 ASN HB2 . . 5.030 4.957 4.750 5.065 0.035 20 0 "[ . 1 . 2]" 1
265 1 22 PRO HA 1 24 LEU H . . 4.280 3.610 3.457 3.727 . 0 0 "[ . 1 . 2]" 1
266 1 22 PRO HB2 1 23 ASN H . . 3.670 2.257 2.156 2.481 . 0 0 "[ . 1 . 2]" 1
267 1 22 PRO HB2 1 23 ASN HA . . 4.790 4.250 4.209 4.358 . 0 0 "[ . 1 . 2]" 1
268 1 22 PRO HB2 1 23 ASN HB2 . . 4.320 3.755 3.337 3.971 . 0 0 "[ . 1 . 2]" 1
269 1 22 PRO HB2 1 23 ASN HB3 . . 5.190 4.965 4.914 5.006 . 0 0 "[ . 1 . 2]" 1
270 1 22 PRO HB2 1 23 ASN HD21 . . 4.630 3.975 2.823 4.588 . 0 0 "[ . 1 . 2]" 1
271 1 22 PRO HB2 1 23 ASN QD . . 3.840 3.496 2.784 3.854 0.014 18 0 "[ . 1 . 2]" 1
272 1 22 PRO HB2 1 23 ASN HD22 . . 4.630 4.140 3.971 4.301 . 0 0 "[ . 1 . 2]" 1
273 1 22 PRO HB3 1 23 ASN H . . 3.560 3.286 3.242 3.388 . 0 0 "[ . 1 . 2]" 1
274 1 22 PRO HB3 1 23 ASN HA . . 5.500 5.553 5.533 5.608 0.108 18 0 "[ . 1 . 2]" 1
275 1 22 PRO HB3 1 23 ASN QD . . 5.340 4.873 4.184 5.359 0.019 2 0 "[ . 1 . 2]" 1
276 1 22 PRO HB3 1 42 VAL MG1 . . 5.410 5.282 5.140 5.394 . 0 0 "[ . 1 . 2]" 1
277 1 22 PRO HD2 1 39 GLU H . . 4.550 4.045 3.882 4.119 . 0 0 "[ . 1 . 2]" 1
278 1 22 PRO HD2 1 39 GLU HB2 . . 4.000 3.713 3.568 3.831 . 0 0 "[ . 1 . 2]" 1
279 1 22 PRO HD2 1 39 GLU HB3 . . 4.610 3.736 3.380 3.959 . 0 0 "[ . 1 . 2]" 1
280 1 22 PRO HD2 1 40 THR H . . 5.060 4.155 3.967 4.478 . 0 0 "[ . 1 . 2]" 1
281 1 22 PRO HD2 1 41 PRO HA . . 3.520 2.822 2.710 2.953 . 0 0 "[ . 1 . 2]" 1
282 1 22 PRO HD2 1 41 PRO HB3 . . 4.780 3.466 3.292 3.617 . 0 0 "[ . 1 . 2]" 1
283 1 22 PRO HD2 1 41 PRO QD . . 4.580 2.866 2.658 3.207 . 0 0 "[ . 1 . 2]" 1
284 1 22 PRO HD2 1 42 VAL H . . 4.710 4.639 4.477 4.773 0.063 18 0 "[ . 1 . 2]" 1
285 1 22 PRO HD3 1 39 GLU H . . 5.500 5.470 5.356 5.566 0.066 18 0 "[ . 1 . 2]" 1
286 1 22 PRO HD3 1 39 GLU HB2 . . 5.160 4.981 4.792 5.093 . 0 0 "[ . 1 . 2]" 1
287 1 22 PRO HD3 1 41 PRO HA . . 3.370 2.222 2.097 2.425 . 0 0 "[ . 1 . 2]" 1
288 1 22 PRO HD3 1 41 PRO HB3 . . 4.260 2.549 2.249 2.974 . 0 0 "[ . 1 . 2]" 1
289 1 22 PRO HD3 1 42 VAL H . . 4.160 4.101 3.981 4.169 0.009 20 0 "[ . 1 . 2]" 1
290 1 22 PRO HG2 1 23 ASN H . . 4.460 4.129 4.038 4.319 . 0 0 "[ . 1 . 2]" 1
291 1 22 PRO HG2 1 39 GLU H . . 5.100 4.182 4.057 4.337 . 0 0 "[ . 1 . 2]" 1
292 1 22 PRO HG2 1 40 THR H . . 5.500 4.141 3.948 4.301 . 0 0 "[ . 1 . 2]" 1
293 1 22 PRO HG2 1 40 THR HA . . 5.500 4.860 4.697 5.041 . 0 0 "[ . 1 . 2]" 1
294 1 22 PRO HG2 1 41 PRO HA . . 4.270 3.713 3.523 3.947 . 0 0 "[ . 1 . 2]" 1
295 1 22 PRO HG3 1 23 ASN H . . 5.270 4.815 4.732 4.991 . 0 0 "[ . 1 . 2]" 1
296 1 22 PRO HG3 1 40 THR H . . 5.500 5.309 5.041 5.505 0.005 18 0 "[ . 1 . 2]" 1
297 1 22 PRO HG3 1 41 PRO HA . . 3.740 2.609 2.362 2.910 . 0 0 "[ . 1 . 2]" 1
298 1 22 PRO HG3 1 42 VAL H . . 4.080 3.294 3.020 3.777 . 0 0 "[ . 1 . 2]" 1
299 1 22 PRO HG3 1 42 VAL MG1 . . 3.640 3.620 3.550 3.648 0.008 15 0 "[ . 1 . 2]" 1
300 1 22 PRO HG3 1 42 VAL MG2 . . 4.610 4.249 3.922 4.524 . 0 0 "[ . 1 . 2]" 1
301 1 23 ASN H 1 23 ASN HA . . 2.620 2.299 2.285 2.316 . 0 0 "[ . 1 . 2]" 1
302 1 23 ASN H 1 23 ASN HB2 . . 3.800 3.375 3.068 3.542 . 0 0 "[ . 1 . 2]" 1
303 1 23 ASN H 1 23 ASN HB3 . . 4.120 3.959 3.928 4.006 . 0 0 "[ . 1 . 2]" 1
304 1 23 ASN H 1 24 LEU H . . 3.470 3.005 2.871 3.121 . 0 0 "[ . 1 . 2]" 1
305 1 23 ASN HA 1 23 ASN QD . . 4.600 2.271 2.039 4.091 . 0 0 "[ . 1 . 2]" 1
306 1 23 ASN HA 1 23 ASN HD22 . . 5.310 3.608 3.411 4.722 . 0 0 "[ . 1 . 2]" 1
307 1 23 ASN HA 1 24 LEU H . . 3.330 2.709 2.646 2.798 . 0 0 "[ . 1 . 2]" 1
308 1 23 ASN HA 1 24 LEU HB2 . . 5.460 5.251 5.114 5.329 . 0 0 "[ . 1 . 2]" 1
309 1 23 ASN HA 1 25 ARG HG2 . . 4.900 4.067 3.786 4.427 . 0 0 "[ . 1 . 2]" 1
310 1 23 ASN HB2 1 24 LEU H . . 4.980 4.326 4.223 4.443 . 0 0 "[ . 1 . 2]" 1
311 1 23 ASN HB2 1 39 GLU H . . 4.660 3.431 3.144 3.868 . 0 0 "[ . 1 . 2]" 1
312 1 23 ASN HB2 1 39 GLU HB2 . . 4.300 2.020 1.997 2.112 . 0 0 "[ . 1 . 2]" 1
313 1 23 ASN HB2 1 39 GLU QG . . 3.670 1.977 1.910 2.265 . 0 0 "[ . 1 . 2]" 1
314 1 23 ASN HB3 1 24 LEU H . . 4.870 4.423 4.337 4.480 . 0 0 "[ . 1 . 2]" 1
315 1 23 ASN HB3 1 25 ARG H . . 5.500 5.054 4.715 5.287 . 0 0 "[ . 1 . 2]" 1
316 1 23 ASN HB3 1 25 ARG HG2 . . 4.810 3.698 3.527 3.841 . 0 0 "[ . 1 . 2]" 1
317 1 23 ASN HB3 1 25 ARG HG3 . . 5.500 4.432 4.188 4.990 . 0 0 "[ . 1 . 2]" 1
318 1 23 ASN HB3 1 39 GLU H . . 4.870 4.619 4.202 4.855 . 0 0 "[ . 1 . 2]" 1
319 1 23 ASN HB3 1 39 GLU HB3 . . 5.250 4.944 4.527 5.263 0.013 2 0 "[ . 1 . 2]" 1
320 1 23 ASN HB3 1 39 GLU HG2 . . 4.310 3.246 2.519 3.725 . 0 0 "[ . 1 . 2]" 1
321 1 23 ASN HB3 1 39 GLU QG . . 3.570 2.705 2.017 3.186 . 0 0 "[ . 1 . 2]" 1
322 1 23 ASN HB3 1 39 GLU HG3 . . 4.310 2.993 2.026 4.014 . 0 0 "[ . 1 . 2]" 1
323 1 23 ASN QD 1 25 ARG QD . . 4.580 4.387 4.093 4.596 0.016 2 0 "[ . 1 . 2]" 1
324 1 23 ASN QD 1 39 GLU QG . . 4.690 3.810 1.843 4.289 . 0 0 "[ . 1 . 2]" 1
325 1 24 LEU H 1 24 LEU HB2 . . 3.080 2.652 2.479 2.795 . 0 0 "[ . 1 . 2]" 1
326 1 24 LEU H 1 24 LEU HB3 . . 3.280 2.457 2.371 2.604 . 0 0 "[ . 1 . 2]" 1
327 1 24 LEU H 1 24 LEU MD1 . . 4.490 4.161 3.994 4.289 . 0 0 "[ . 1 . 2]" 1
328 1 24 LEU H 1 24 LEU MD2 . . 4.490 4.251 4.196 4.280 . 0 0 "[ . 1 . 2]" 1
329 1 24 LEU H 1 24 LEU HG . . 5.040 4.443 4.371 4.536 . 0 0 "[ . 1 . 2]" 1
330 1 24 LEU H 1 25 ARG H . . 4.540 4.279 4.210 4.333 . 0 0 "[ . 1 . 2]" 1
331 1 24 LEU H 1 100 THR MG . . 5.140 4.913 4.718 5.140 0.000 3 0 "[ . 1 . 2]" 1
332 1 24 LEU HA 1 24 LEU MD1 . . 3.150 2.247 2.097 2.428 . 0 0 "[ . 1 . 2]" 1
333 1 24 LEU HA 1 24 LEU MD2 . . 4.050 3.898 3.814 3.959 . 0 0 "[ . 1 . 2]" 1
334 1 24 LEU HA 1 25 ARG H . . 2.700 2.174 2.159 2.192 . 0 0 "[ . 1 . 2]" 1
335 1 24 LEU HA 1 25 ARG HG2 . . 5.020 3.610 3.427 3.861 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU HA 1 37 THR H . . 5.410 5.292 5.088 5.394 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU HA 1 38 TRP HA . . 3.830 2.336 2.198 2.547 . 0 0 "[ . 1 . 2]" 1
338 1 24 LEU HA 1 38 TRP HB2 . . 4.230 3.407 3.257 3.736 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU HA 1 38 TRP HB3 . . 3.870 3.030 2.728 3.347 . 0 0 "[ . 1 . 2]" 1
340 1 24 LEU HA 1 39 GLU H . . 4.950 3.718 3.505 3.911 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU HB2 1 24 LEU MD1 . . 3.440 2.258 2.164 2.351 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU HB2 1 24 LEU MD2 . . 3.000 2.404 2.304 2.466 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU HB2 1 25 ARG H . . 4.660 4.452 4.400 4.506 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU HB2 1 39 GLU H . . 5.500 4.501 4.277 4.872 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HB2 1 100 THR MG . . 3.580 3.045 2.862 3.269 . 0 0 "[ . 1 . 2]" 1
346 1 24 LEU HB3 1 24 LEU MD2 . . 3.360 2.298 2.233 2.393 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU HB3 1 25 ARG H . . 4.550 4.410 4.307 4.451 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU HB3 1 100 THR MG . . 4.180 3.911 3.608 4.174 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU MD1 1 25 ARG H . . 3.290 3.080 2.874 3.263 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU MD1 1 37 THR H . . 4.530 4.267 3.985 4.499 . 0 0 "[ . 1 . 2]" 1
351 1 24 LEU MD1 1 38 TRP HA . . 4.310 3.150 2.753 3.458 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU MD1 1 38 TRP HB2 . . 3.700 2.683 2.343 3.069 . 0 0 "[ . 1 . 2]" 1
353 1 24 LEU MD1 1 38 TRP HB3 . . 3.300 1.968 1.791 2.153 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU MD1 1 38 TRP HE3 . . 3.270 3.102 2.587 3.273 0.003 2 0 "[ . 1 . 2]" 1
355 1 24 LEU MD1 1 38 TRP HZ3 . . 5.190 4.857 4.292 5.068 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU MD1 1 39 GLU H . . 5.050 4.165 3.807 4.482 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU MD1 1 87 ARG HA . . 4.610 3.935 3.643 4.211 . 0 0 "[ . 1 . 2]" 1
358 1 24 LEU MD1 1 88 VAL H . . 3.890 3.476 3.185 3.863 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU MD1 1 88 VAL HB . . 3.500 3.019 2.785 3.319 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU MD1 1 88 VAL MG1 . . 4.420 3.788 3.607 4.148 . 0 0 "[ . 1 . 2]" 1
361 1 24 LEU MD1 1 88 VAL MG2 . . 2.810 2.056 1.855 2.414 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU MD1 1 100 THR MG . . 3.770 3.222 3.049 3.614 . 0 0 "[ . 1 . 2]" 1
363 1 24 LEU MD2 1 25 ARG H . . 5.050 5.011 4.950 5.065 0.015 15 0 "[ . 1 . 2]" 1
364 1 24 LEU MD2 1 86 PHE HB2 . . 5.080 4.895 4.748 5.075 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU MD2 1 86 PHE HB3 . . 5.150 5.064 4.909 5.153 0.003 8 0 "[ . 1 . 2]" 1
366 1 24 LEU MD2 1 87 ARG H . . 5.500 5.273 5.050 5.381 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU MD2 1 87 ARG HA . . 3.240 3.111 2.840 3.245 0.005 6 0 "[ . 1 . 2]" 1
368 1 24 LEU MD2 1 88 VAL H . . 3.870 3.188 2.825 3.489 . 0 0 "[ . 1 . 2]" 1
369 1 24 LEU MD2 1 88 VAL MG2 . . 3.760 3.386 3.089 3.763 0.003 2 0 "[ . 1 . 2]" 1
370 1 24 LEU MD2 1 100 THR MG . . 2.980 2.255 1.960 2.523 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU MD2 1 103 VAL H . . 4.620 4.531 4.293 4.624 0.004 19 0 "[ . 1 . 2]" 1
372 1 24 LEU HG 1 25 ARG H . . 4.090 3.748 3.608 3.877 . 0 0 "[ . 1 . 2]" 1
373 1 24 LEU HG 1 36 VAL MG1 . . 4.400 4.033 3.789 4.174 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU HG 1 103 VAL HB . . 4.500 4.369 4.126 4.503 0.003 1 0 "[ . 1 . 2]" 1
375 1 24 LEU HG 1 103 VAL QG . . 3.050 2.423 2.054 2.685 . 0 0 "[ . 1 . 2]" 1
376 1 25 ARG H 1 25 ARG QB . . 3.520 2.829 2.605 3.210 . 0 0 "[ . 1 . 2]" 1
377 1 25 ARG H 1 25 ARG HD2 . . 5.170 4.099 3.540 4.952 . 0 0 "[ . 1 . 2]" 1
378 1 25 ARG H 1 25 ARG QD . . 4.360 3.762 3.332 4.363 0.003 15 0 "[ . 1 . 2]" 1
379 1 25 ARG H 1 25 ARG HD3 . . 5.170 4.438 4.063 4.845 . 0 0 "[ . 1 . 2]" 1
380 1 25 ARG H 1 25 ARG HG2 . . 3.970 2.234 1.920 2.562 . 0 0 "[ . 1 . 2]" 1
381 1 25 ARG H 1 25 ARG HG3 . . 4.250 3.489 2.757 3.795 . 0 0 "[ . 1 . 2]" 1
382 1 25 ARG H 1 26 ALA H . . 4.630 4.480 4.293 4.536 . 0 0 "[ . 1 . 2]" 1
383 1 25 ARG H 1 36 VAL MG1 . . 4.800 4.161 3.880 4.604 . 0 0 "[ . 1 . 2]" 1
384 1 25 ARG H 1 37 THR H . . 3.940 3.733 3.531 3.951 0.011 2 0 "[ . 1 . 2]" 1
385 1 25 ARG H 1 38 TRP HA . . 4.120 3.003 2.866 3.219 . 0 0 "[ . 1 . 2]" 1
386 1 25 ARG H 1 38 TRP HB2 . . 5.500 4.951 4.819 5.206 . 0 0 "[ . 1 . 2]" 1
387 1 25 ARG H 1 38 TRP HB3 . . 4.470 4.057 3.848 4.328 . 0 0 "[ . 1 . 2]" 1
388 1 25 ARG H 1 38 TRP HE3 . . 5.260 5.052 4.801 5.227 . 0 0 "[ . 1 . 2]" 1
389 1 25 ARG HA 1 25 ARG HG2 . . 3.980 3.202 2.961 3.455 . 0 0 "[ . 1 . 2]" 1
390 1 25 ARG HA 1 26 ALA H . . 2.690 2.331 2.160 2.478 . 0 0 "[ . 1 . 2]" 1
391 1 25 ARG HA 1 26 ALA MB . . 4.310 3.792 3.725 3.893 . 0 0 "[ . 1 . 2]" 1
392 1 25 ARG HA 1 103 VAL QG . . 4.470 3.816 3.554 4.037 . 0 0 "[ . 1 . 2]" 1
393 1 25 ARG QB 1 25 ARG HD2 . . 3.570 2.617 2.084 3.326 . 0 0 "[ . 1 . 2]" 1
394 1 25 ARG QB 1 25 ARG QD . . 3.090 2.429 2.061 2.623 . 0 0 "[ . 1 . 2]" 1
395 1 25 ARG QB 1 25 ARG HD3 . . 3.570 3.234 2.106 3.483 . 0 0 "[ . 1 . 2]" 1
396 1 25 ARG QB 1 26 ALA H . . 3.290 2.653 2.314 3.151 . 0 0 "[ . 1 . 2]" 1
397 1 25 ARG QB 1 27 TYR QD . . 4.610 3.391 3.186 3.720 . 0 0 "[ . 1 . 2]" 1
398 1 25 ARG QB 1 27 TYR QE . . 4.700 3.740 2.923 4.707 0.007 5 0 "[ . 1 . 2]" 1
399 1 25 ARG QB 1 37 THR H . . 4.780 3.666 3.233 4.803 0.023 5 0 "[ . 1 . 2]" 1
400 1 25 ARG QB 1 37 THR HB . . 5.500 4.645 4.093 5.567 0.067 4 0 "[ . 1 . 2]" 1
401 1 25 ARG QB 1 37 THR MG . . 4.000 3.915 3.399 4.028 0.028 11 0 "[ . 1 . 2]" 1
402 1 25 ARG HG2 1 37 THR H . . 5.500 5.203 4.990 5.471 . 0 0 "[ . 1 . 2]" 1
403 1 25 ARG HG2 1 37 THR HB . . 5.500 5.293 4.871 5.503 0.003 20 0 "[ . 1 . 2]" 1
404 1 25 ARG HG3 1 27 TYR QE . . 5.500 5.007 4.384 5.500 . 0 0 "[ . 1 . 2]" 1
405 1 25 ARG HG3 1 37 THR H . . 5.500 5.323 4.621 5.517 0.017 16 0 "[ . 1 . 2]" 1
406 1 25 ARG HG3 1 37 THR HB . . 5.500 4.947 4.075 5.302 . 0 0 "[ . 1 . 2]" 1
407 1 26 ALA H 1 26 ALA MB . . 3.210 2.680 2.438 2.829 . 0 0 "[ . 1 . 2]" 1
408 1 26 ALA H 1 27 TYR H . . 4.450 4.163 4.052 4.412 . 0 0 "[ . 1 . 2]" 1
409 1 26 ALA H 1 27 TYR QD . . 5.160 3.772 3.347 4.806 . 0 0 "[ . 1 . 2]" 1
410 1 26 ALA H 1 103 VAL QG . . 3.740 3.661 3.241 3.757 0.017 13 0 "[ . 1 . 2]" 1
411 1 26 ALA HA 1 27 TYR H . . 2.690 2.158 2.150 2.210 . 0 0 "[ . 1 . 2]" 1
412 1 26 ALA HA 1 27 TYR QD . . 4.300 3.464 2.982 3.872 . 0 0 "[ . 1 . 2]" 1
413 1 26 ALA HA 1 27 TYR QE . . 5.310 4.514 4.212 4.819 . 0 0 "[ . 1 . 2]" 1
414 1 26 ALA HA 1 34 ILE MG . . 4.550 4.324 4.160 4.531 . 0 0 "[ . 1 . 2]" 1
415 1 26 ALA HA 1 36 VAL MG1 . . 4.060 3.061 2.827 3.365 . 0 0 "[ . 1 . 2]" 1
416 1 26 ALA HA 1 36 VAL MG2 . . 4.130 3.401 3.103 3.988 . 0 0 "[ . 1 . 2]" 1
417 1 26 ALA HA 1 37 THR H . . 3.770 3.013 2.472 3.286 . 0 0 "[ . 1 . 2]" 1
418 1 26 ALA MB 1 27 TYR H . . 3.310 3.108 2.945 3.161 . 0 0 "[ . 1 . 2]" 1
419 1 26 ALA MB 1 28 ALA H . . 5.500 5.328 4.934 5.513 0.013 16 0 "[ . 1 . 2]" 1
420 1 26 ALA MB 1 34 ILE MG . . 3.560 3.342 3.014 3.569 0.009 8 0 "[ . 1 . 2]" 1
421 1 26 ALA MB 1 36 VAL MG1 . . 2.860 2.301 1.953 2.676 . 0 0 "[ . 1 . 2]" 1
422 1 26 ALA MB 1 37 THR H . . 4.110 3.830 2.952 4.122 0.012 7 0 "[ . 1 . 2]" 1
423 1 26 ALA MB 1 86 PHE H . . 5.500 5.407 5.137 5.506 0.006 7 0 "[ . 1 . 2]" 1
424 1 26 ALA MB 1 86 PHE HB2 . . 4.540 3.513 3.301 3.635 . 0 0 "[ . 1 . 2]" 1
425 1 26 ALA MB 1 86 PHE HB3 . . 4.800 4.192 3.984 4.349 . 0 0 "[ . 1 . 2]" 1
426 1 26 ALA MB 1 86 PHE QD . . 3.930 3.320 3.106 3.498 . 0 0 "[ . 1 . 2]" 1
427 1 26 ALA MB 1 86 PHE QE . . 4.360 4.250 3.996 4.362 0.002 10 0 "[ . 1 . 2]" 1
428 1 26 ALA MB 1 103 VAL HA . . 5.500 4.981 4.709 5.500 . 0 0 "[ . 1 . 2]" 1
429 1 26 ALA MB 1 103 VAL HB . . 4.380 3.487 3.175 3.870 . 0 0 "[ . 1 . 2]" 1
430 1 26 ALA MB 1 103 VAL QG . . 3.250 1.872 1.720 2.301 . 0 0 "[ . 1 . 2]" 1
431 1 26 ALA MB 1 105 VAL H . . 5.500 5.315 5.013 5.506 0.006 11 0 "[ . 1 . 2]" 1
432 1 26 ALA MB 1 105 VAL HA . . 5.500 5.248 4.900 5.499 . 0 0 "[ . 1 . 2]" 1
433 1 26 ALA MB 1 105 VAL HB . . 3.600 3.116 2.805 3.353 . 0 0 "[ . 1 . 2]" 1
434 1 26 ALA MB 1 105 VAL MG2 . . 3.600 3.403 3.096 3.590 . 0 0 "[ . 1 . 2]" 1
435 1 27 TYR H 1 27 TYR HB2 . . 4.040 3.838 3.765 3.891 . 0 0 "[ . 1 . 2]" 1
436 1 27 TYR H 1 27 TYR HB3 . . 4.040 3.412 3.281 3.548 . 0 0 "[ . 1 . 2]" 1
437 1 27 TYR H 1 27 TYR QD . . 3.740 2.911 2.451 3.248 . 0 0 "[ . 1 . 2]" 1
438 1 27 TYR H 1 27 TYR QE . . 4.940 4.174 3.962 4.331 . 0 0 "[ . 1 . 2]" 1
439 1 27 TYR H 1 28 ALA H . . 4.450 4.339 4.268 4.391 . 0 0 "[ . 1 . 2]" 1
440 1 27 TYR H 1 34 ILE MG . . 3.840 3.452 3.202 3.859 0.019 11 0 "[ . 1 . 2]" 1
441 1 27 TYR H 1 35 THR HB . . 4.400 3.933 3.613 4.253 . 0 0 "[ . 1 . 2]" 1
442 1 27 TYR H 1 35 THR MG . . 4.730 4.174 3.832 4.454 . 0 0 "[ . 1 . 2]" 1
443 1 27 TYR H 1 36 VAL MG1 . . 4.860 4.622 4.485 4.867 0.007 11 0 "[ . 1 . 2]" 1
444 1 27 TYR H 1 36 VAL MG2 . . 4.660 3.822 3.511 4.487 . 0 0 "[ . 1 . 2]" 1
445 1 27 TYR H 1 105 VAL MG2 . . 5.060 4.476 4.143 4.850 . 0 0 "[ . 1 . 2]" 1
446 1 27 TYR QB 1 28 ALA H . . 3.560 2.864 2.665 3.135 . 0 0 "[ . 1 . 2]" 1
447 1 27 TYR HB2 1 28 ALA H . . 4.290 2.944 2.719 3.253 . 0 0 "[ . 1 . 2]" 1
448 1 27 TYR HB3 1 28 ALA H . . 4.290 3.936 3.830 4.102 . 0 0 "[ . 1 . 2]" 1
449 1 27 TYR QD 1 28 ALA H . . 4.520 4.120 3.977 4.257 . 0 0 "[ . 1 . 2]" 1
450 1 27 TYR QD 1 28 ALA MB . . 5.160 4.925 4.795 5.033 . 0 0 "[ . 1 . 2]" 1
451 1 27 TYR QD 1 29 ALA HA . . 4.140 3.373 3.203 3.530 . 0 0 "[ . 1 . 2]" 1
452 1 27 TYR QD 1 29 ALA MB . . 4.390 3.389 3.207 3.621 . 0 0 "[ . 1 . 2]" 1
453 1 27 TYR QD 1 35 THR HB . . 4.100 3.177 2.789 3.585 . 0 0 "[ . 1 . 2]" 1
454 1 27 TYR QD 1 35 THR MG . . 4.000 3.897 3.732 4.003 0.003 8 0 "[ . 1 . 2]" 1
455 1 27 TYR QD 1 37 THR MG . . 4.200 3.944 2.947 4.203 0.003 16 0 "[ . 1 . 2]" 1
456 1 27 TYR QE 1 29 ALA HA . . 4.640 4.315 4.000 4.642 0.002 8 0 "[ . 1 . 2]" 1
457 1 27 TYR QE 1 29 ALA MB . . 3.920 3.205 3.027 3.412 . 0 0 "[ . 1 . 2]" 1
458 1 27 TYR QE 1 35 THR HB . . 3.960 2.666 2.310 3.063 . 0 0 "[ . 1 . 2]" 1
459 1 27 TYR QE 1 35 THR MG . . 3.680 2.663 2.154 2.851 . 0 0 "[ . 1 . 2]" 1
460 1 27 TYR QE 1 37 THR MG . . 3.620 2.248 1.955 2.608 . 0 0 "[ . 1 . 2]" 1
461 1 28 ALA H 1 28 ALA MB . . 2.980 2.160 2.073 2.265 . 0 0 "[ . 1 . 2]" 1
462 1 28 ALA H 1 29 ALA H . . 5.060 4.323 4.241 4.417 . 0 0 "[ . 1 . 2]" 1
463 1 28 ALA H 1 34 ILE MG . . 5.180 3.996 3.559 4.370 . 0 0 "[ . 1 . 2]" 1
464 1 28 ALA H 1 105 VAL MG1 . . 4.310 4.142 3.906 4.303 . 0 0 "[ . 1 . 2]" 1
465 1 28 ALA H 1 105 VAL MG2 . . 3.470 3.021 2.727 3.317 . 0 0 "[ . 1 . 2]" 1
466 1 28 ALA H 1 108 LEU MD2 . . 4.880 4.428 4.150 4.703 . 0 0 "[ . 1 . 2]" 1
467 1 28 ALA HA 1 29 ALA H . . 2.890 2.163 2.145 2.188 . 0 0 "[ . 1 . 2]" 1
468 1 28 ALA HA 1 29 ALA MB . . 4.100 4.026 3.960 4.049 . 0 0 "[ . 1 . 2]" 1
469 1 28 ALA HA 1 30 SER H . . 3.920 3.599 3.291 3.828 . 0 0 "[ . 1 . 2]" 1
470 1 28 ALA HA 1 34 ILE MD . . 4.280 4.073 3.735 4.201 . 0 0 "[ . 1 . 2]" 1
471 1 28 ALA HA 1 34 ILE HG12 . . 3.820 2.580 2.283 2.766 . 0 0 "[ . 1 . 2]" 1
472 1 28 ALA HA 1 34 ILE MG . . 4.730 2.578 2.165 2.941 . 0 0 "[ . 1 . 2]" 1
473 1 28 ALA HA 1 105 VAL MG1 . . 5.210 4.188 4.039 4.445 . 0 0 "[ . 1 . 2]" 1
474 1 28 ALA HA 1 107 THR MG . . 5.400 3.914 3.611 4.110 . 0 0 "[ . 1 . 2]" 1
475 1 28 ALA MB 1 29 ALA H . . 3.760 3.416 3.309 3.485 . 0 0 "[ . 1 . 2]" 1
476 1 28 ALA MB 1 30 SER H . . 4.000 3.422 2.915 3.730 . 0 0 "[ . 1 . 2]" 1
477 1 28 ALA MB 1 31 PRO HA . . 5.420 4.223 4.108 4.314 . 0 0 "[ . 1 . 2]" 1
478 1 28 ALA MB 1 34 ILE HG12 . . 3.830 2.305 1.982 2.580 . 0 0 "[ . 1 . 2]" 1
479 1 28 ALA MB 1 34 ILE MG . . 4.500 3.329 3.010 3.666 . 0 0 "[ . 1 . 2]" 1
480 1 28 ALA MB 1 105 VAL MG1 . . 3.380 3.339 3.124 3.392 0.012 14 0 "[ . 1 . 2]" 1
481 1 28 ALA MB 1 105 VAL MG2 . . 3.480 2.894 2.600 3.297 . 0 0 "[ . 1 . 2]" 1
482 1 28 ALA MB 1 107 THR H . . 4.800 4.136 3.963 4.308 . 0 0 "[ . 1 . 2]" 1
483 1 28 ALA MB 1 107 THR HA . . 3.050 1.988 1.843 2.123 . 0 0 "[ . 1 . 2]" 1
484 1 28 ALA MB 1 107 THR MG . . 3.670 2.383 2.118 2.725 . 0 0 "[ . 1 . 2]" 1
485 1 28 ALA MB 1 108 LEU H . . 3.490 2.699 2.274 3.046 . 0 0 "[ . 1 . 2]" 1
486 1 28 ALA MB 1 108 LEU HA . . 4.780 4.281 3.952 4.490 . 0 0 "[ . 1 . 2]" 1
487 1 28 ALA MB 1 108 LEU HB2 . . 4.720 4.374 3.995 4.710 . 0 0 "[ . 1 . 2]" 1
488 1 28 ALA MB 1 108 LEU MD1 . . 3.640 3.449 3.140 3.627 . 0 0 "[ . 1 . 2]" 1
489 1 28 ALA MB 1 108 LEU MD2 . . 2.990 2.741 2.468 2.938 . 0 0 "[ . 1 . 2]" 1
490 1 28 ALA MB 1 108 LEU HG . . 2.860 2.404 2.057 2.743 . 0 0 "[ . 1 . 2]" 1
491 1 29 ALA H 1 29 ALA MB . . 3.070 2.227 2.059 2.270 . 0 0 "[ . 1 . 2]" 1
492 1 29 ALA H 1 30 SER H . . 2.850 2.524 2.381 2.703 . 0 0 "[ . 1 . 2]" 1
493 1 29 ALA H 1 33 SER H . . 5.500 5.400 5.249 5.514 0.014 17 0 "[ . 1 . 2]" 1
494 1 29 ALA H 1 34 ILE HA . . 3.530 2.362 2.225 2.549 . 0 0 "[ . 1 . 2]" 1
495 1 29 ALA H 1 34 ILE MD . . 5.500 5.476 5.243 5.515 0.015 11 0 "[ . 1 . 2]" 1
496 1 29 ALA H 1 34 ILE HG12 . . 4.680 4.201 3.907 4.267 . 0 0 "[ . 1 . 2]" 1
497 1 29 ALA H 1 34 ILE HG13 . . 5.210 4.926 4.771 5.156 . 0 0 "[ . 1 . 2]" 1
498 1 29 ALA H 1 34 ILE MG . . 4.630 3.739 3.461 3.990 . 0 0 "[ . 1 . 2]" 1
499 1 29 ALA H 1 35 THR H . . 3.860 2.438 2.185 2.751 . 0 0 "[ . 1 . 2]" 1
500 1 29 ALA H 1 35 THR MG . . 5.240 5.066 4.951 5.230 . 0 0 "[ . 1 . 2]" 1
501 1 29 ALA H 1 108 LEU MD1 . . 5.500 4.813 4.325 5.065 . 0 0 "[ . 1 . 2]" 1
502 1 29 ALA H 1 108 LEU HG . . 5.500 5.361 4.912 5.502 0.002 4 0 "[ . 1 . 2]" 1
503 1 29 ALA HA 1 35 THR HB . . 5.210 4.738 4.502 5.032 . 0 0 "[ . 1 . 2]" 1
504 1 29 ALA HA 1 108 LEU MD1 . . 4.230 3.764 3.309 4.030 . 0 0 "[ . 1 . 2]" 1
505 1 29 ALA MB 1 30 SER H . . 3.540 2.746 2.436 3.159 . 0 0 "[ . 1 . 2]" 1
506 1 29 ALA MB 1 30 SER HA . . 4.680 4.248 4.113 4.465 . 0 0 "[ . 1 . 2]" 1
507 1 29 ALA MB 1 30 SER QB . . 4.180 3.367 3.209 3.668 . 0 0 "[ . 1 . 2]" 1
508 1 29 ALA MB 1 33 SER HB2 . . 4.800 4.478 3.838 4.834 0.034 8 0 "[ . 1 . 2]" 1
509 1 29 ALA MB 1 33 SER HB3 . . 4.800 4.542 3.313 4.841 0.041 11 0 "[ . 1 . 2]" 1
510 1 29 ALA MB 1 34 ILE H . . 5.120 4.656 4.438 5.111 . 0 0 "[ . 1 . 2]" 1
511 1 29 ALA MB 1 34 ILE HA . . 4.600 3.685 3.423 3.834 . 0 0 "[ . 1 . 2]" 1
512 1 29 ALA MB 1 34 ILE MG . . 5.240 4.716 4.470 4.885 . 0 0 "[ . 1 . 2]" 1
513 1 29 ALA MB 1 35 THR H . . 4.000 3.216 2.852 3.711 . 0 0 "[ . 1 . 2]" 1
514 1 29 ALA MB 1 35 THR HB . . 4.070 2.856 2.591 3.194 . 0 0 "[ . 1 . 2]" 1
515 1 29 ALA MB 1 74 THR MG . . 3.650 3.349 2.909 3.639 . 0 0 "[ . 1 . 2]" 1
516 1 30 SER H 1 31 PRO QD . . 4.940 4.329 4.259 4.354 . 0 0 "[ . 1 . 2]" 1
517 1 30 SER H 1 32 THR H . . 5.000 4.238 4.077 4.447 . 0 0 "[ . 1 . 2]" 1
518 1 30 SER H 1 33 SER H . . 3.670 3.458 3.319 3.654 . 0 0 "[ . 1 . 2]" 1
519 1 30 SER H 1 33 SER QB . . 5.180 4.052 3.146 4.795 . 0 0 "[ . 1 . 2]" 1
520 1 30 SER H 1 34 ILE HA . . 4.320 3.524 3.331 3.678 . 0 0 "[ . 1 . 2]" 1
521 1 30 SER H 1 108 LEU H . . 5.420 4.884 4.245 5.260 . 0 0 "[ . 1 . 2]" 1
522 1 30 SER H 1 108 LEU MD1 . . 4.120 3.589 3.062 3.940 . 0 0 "[ . 1 . 2]" 1
523 1 30 SER H 1 108 LEU HG . . 4.630 4.195 3.582 4.589 . 0 0 "[ . 1 . 2]" 1
524 1 30 SER HA 1 31 PRO HD2 . . 3.820 2.512 2.443 2.568 . 0 0 "[ . 1 . 2]" 1
525 1 30 SER HA 1 31 PRO QD . . 3.170 2.157 2.114 2.192 . 0 0 "[ . 1 . 2]" 1
526 1 30 SER HA 1 31 PRO HD3 . . 3.820 2.348 2.315 2.378 . 0 0 "[ . 1 . 2]" 1
527 1 30 SER HA 1 108 LEU MD1 . . 3.210 2.229 1.980 2.437 . 0 0 "[ . 1 . 2]" 1
528 1 30 SER QB 1 31 PRO QD . . 3.350 1.995 1.926 2.610 . 0 0 "[ . 1 . 2]" 1
529 1 30 SER QB 1 31 PRO HG2 . . 5.080 3.669 3.563 4.592 . 0 0 "[ . 1 . 2]" 1
530 1 30 SER QB 1 32 THR H . . 4.590 2.321 2.177 3.187 . 0 0 "[ . 1 . 2]" 1
531 1 31 PRO HA 1 80 LYS HG3 . . 5.500 4.375 3.975 4.739 . 0 0 "[ . 1 . 2]" 1
532 1 31 PRO HA 1 81 TYR H . . 4.580 3.967 3.630 4.460 . 0 0 "[ . 1 . 2]" 1
533 1 31 PRO HA 1 107 THR HA . . 4.450 4.273 4.003 4.455 0.005 6 0 "[ . 1 . 2]" 1
534 1 31 PRO HA 1 107 THR MG . . 4.690 3.703 3.392 4.233 . 0 0 "[ . 1 . 2]" 1
535 1 31 PRO HA 1 108 LEU H . . 3.410 2.335 1.970 2.721 . 0 0 "[ . 1 . 2]" 1
536 1 31 PRO HA 1 108 LEU HB2 . . 3.970 2.536 2.181 2.935 . 0 0 "[ . 1 . 2]" 1
537 1 31 PRO HA 1 108 LEU HB3 . . 4.560 4.163 3.853 4.554 . 0 0 "[ . 1 . 2]" 1
538 1 31 PRO HA 1 108 LEU HG . . 4.830 3.613 3.371 4.004 . 0 0 "[ . 1 . 2]" 1
539 1 31 PRO HB2 1 32 THR MG . . 4.060 3.102 2.951 3.243 . 0 0 "[ . 1 . 2]" 1
540 1 31 PRO HB2 1 80 LYS HA . . 4.690 3.517 3.230 3.940 . 0 0 "[ . 1 . 2]" 1
541 1 31 PRO HB2 1 80 LYS QD . . 4.370 3.965 3.127 4.372 0.002 15 0 "[ . 1 . 2]" 1
542 1 31 PRO HB2 1 80 LYS QE . . 4.790 3.956 2.761 4.758 . 0 0 "[ . 1 . 2]" 1
543 1 31 PRO HB2 1 80 LYS HG2 . . 4.010 2.295 1.992 2.688 . 0 0 "[ . 1 . 2]" 1
544 1 31 PRO HB2 1 80 LYS HG3 . . 4.700 2.662 2.178 3.046 . 0 0 "[ . 1 . 2]" 1
545 1 31 PRO HB2 1 81 TYR H . . 5.160 4.455 4.064 4.982 . 0 0 "[ . 1 . 2]" 1
546 1 31 PRO HB2 1 108 LEU H . . 5.280 4.869 4.511 5.285 0.005 16 0 "[ . 1 . 2]" 1
547 1 31 PRO HB2 1 110 ASP QB . . 4.540 3.138 2.519 3.890 . 0 0 "[ . 1 . 2]" 1
548 1 31 PRO HB3 1 32 THR H . . 4.580 4.482 4.406 4.527 . 0 0 "[ . 1 . 2]" 1
549 1 31 PRO HB3 1 32 THR MG . . 4.710 4.466 4.325 4.669 . 0 0 "[ . 1 . 2]" 1
550 1 31 PRO HB3 1 80 LYS HG2 . . 4.080 3.673 3.229 4.081 0.001 18 0 "[ . 1 . 2]" 1
551 1 31 PRO HB3 1 80 LYS HG3 . . 4.670 4.275 3.761 4.680 0.010 17 0 "[ . 1 . 2]" 1
552 1 31 PRO HB3 1 108 LEU H . . 4.440 3.854 3.549 4.233 . 0 0 "[ . 1 . 2]" 1
553 1 31 PRO HB3 1 110 ASP QB . . 4.640 3.653 2.847 4.356 . 0 0 "[ . 1 . 2]" 1
554 1 31 PRO QD 1 32 THR H . . 3.920 2.907 2.775 3.001 . 0 0 "[ . 1 . 2]" 1
555 1 31 PRO QD 1 32 THR MG . . 4.490 3.811 3.465 4.153 . 0 0 "[ . 1 . 2]" 1
556 1 31 PRO QD 1 33 SER H . . 4.750 4.192 4.063 4.300 . 0 0 "[ . 1 . 2]" 1
557 1 31 PRO QD 1 108 LEU HB2 . . 4.700 2.620 2.308 2.898 . 0 0 "[ . 1 . 2]" 1
558 1 31 PRO QD 1 108 LEU MD1 . . 3.650 2.104 1.964 2.447 . 0 0 "[ . 1 . 2]" 1
559 1 31 PRO HD2 1 32 THR H . . 4.800 2.983 2.836 3.089 . 0 0 "[ . 1 . 2]" 1
560 1 31 PRO HD3 1 32 THR H . . 4.800 4.019 3.942 4.075 . 0 0 "[ . 1 . 2]" 1
561 1 31 PRO HG2 1 32 THR HB . . 5.500 5.336 5.196 5.438 . 0 0 "[ . 1 . 2]" 1
562 1 31 PRO HG2 1 32 THR MG . . 4.960 2.639 2.306 2.992 . 0 0 "[ . 1 . 2]" 1
563 1 31 PRO HG2 1 80 LYS HG2 . . 5.200 4.035 3.763 4.349 . 0 0 "[ . 1 . 2]" 1
564 1 31 PRO HG2 1 108 LEU HB2 . . 4.860 4.457 4.272 4.744 . 0 0 "[ . 1 . 2]" 1
565 1 31 PRO HG2 1 108 LEU MD1 . . 5.050 4.741 4.611 4.933 . 0 0 "[ . 1 . 2]" 1
566 1 31 PRO HG2 1 110 ASP HA . . 5.500 5.229 4.855 5.492 . 0 0 "[ . 1 . 2]" 1
567 1 31 PRO HG2 1 110 ASP QB . . 4.440 3.816 2.762 4.418 . 0 0 "[ . 1 . 2]" 1
568 1 31 PRO HG3 1 108 LEU HB2 . . 4.040 3.595 3.380 3.789 . 0 0 "[ . 1 . 2]" 1
569 1 31 PRO HG3 1 108 LEU MD1 . . 4.180 3.932 3.746 4.151 . 0 0 "[ . 1 . 2]" 1
570 1 31 PRO HG3 1 110 ASP QB . . 4.130 3.330 2.054 4.126 . 0 0 "[ . 1 . 2]" 1
571 1 32 THR H 1 32 THR MG . . 3.880 2.923 2.674 3.182 . 0 0 "[ . 1 . 2]" 1
572 1 32 THR H 1 33 SER H . . 2.770 1.831 1.769 1.987 . 0 0 "[ . 1 . 2]" 1
573 1 32 THR HA 1 32 THR MG . . 3.040 2.367 2.279 2.435 . 0 0 "[ . 1 . 2]" 1
574 1 32 THR HA 1 33 SER HA . . 5.120 4.472 4.430 4.514 . 0 0 "[ . 1 . 2]" 1
575 1 32 THR HA 1 78 LEU H . . 3.670 3.048 2.741 3.214 . 0 0 "[ . 1 . 2]" 1
576 1 32 THR HA 1 78 LEU HB2 . . 4.080 3.113 2.823 3.339 . 0 0 "[ . 1 . 2]" 1
577 1 32 THR HA 1 78 LEU HB3 . . 5.220 4.601 4.290 4.872 . 0 0 "[ . 1 . 2]" 1
578 1 32 THR HA 1 78 LEU MD1 . . 5.010 4.590 4.178 4.769 . 0 0 "[ . 1 . 2]" 1
579 1 32 THR HA 1 80 LYS HA . . 5.500 4.370 4.048 4.703 . 0 0 "[ . 1 . 2]" 1
580 1 32 THR HA 1 80 LYS QD . . 5.500 5.151 4.319 5.510 0.010 11 0 "[ . 1 . 2]" 1
581 1 32 THR HA 1 80 LYS QE . . 5.340 4.315 3.534 5.290 . 0 0 "[ . 1 . 2]" 1
582 1 32 THR HA 1 107 THR MG . . 5.500 4.167 3.935 4.422 . 0 0 "[ . 1 . 2]" 1
583 1 32 THR HB 1 76 ASN HA . . 5.190 4.940 4.689 5.188 . 0 0 "[ . 1 . 2]" 1
584 1 32 THR HB 1 77 GLY H . . 3.760 3.300 3.014 3.532 . 0 0 "[ . 1 . 2]" 1
585 1 32 THR HB 1 78 LEU H . . 3.080 2.918 2.687 3.089 0.009 8 0 "[ . 1 . 2]" 1
586 1 32 THR MG 1 33 SER H . . 4.660 4.131 3.992 4.317 . 0 0 "[ . 1 . 2]" 1
587 1 32 THR MG 1 33 SER QB . . 5.340 5.069 4.932 5.373 0.033 20 0 "[ . 1 . 2]" 1
588 1 32 THR MG 1 77 GLY H . . 5.050 4.802 4.529 5.002 . 0 0 "[ . 1 . 2]" 1
589 1 32 THR MG 1 78 LEU H . . 4.290 4.076 3.625 4.306 0.016 17 0 "[ . 1 . 2]" 1
590 1 32 THR MG 1 79 LYS HA . . 5.010 4.505 3.957 4.947 . 0 0 "[ . 1 . 2]" 1
591 1 32 THR MG 1 80 LYS H . . 5.160 4.815 4.085 5.168 0.008 13 0 "[ . 1 . 2]" 1
592 1 32 THR MG 1 80 LYS HA . . 4.810 4.347 4.001 4.653 . 0 0 "[ . 1 . 2]" 1
593 1 32 THR MG 1 80 LYS QD . . 4.150 3.519 2.799 3.927 . 0 0 "[ . 1 . 2]" 1
594 1 32 THR MG 1 80 LYS QE . . 3.580 2.369 1.868 3.518 . 0 0 "[ . 1 . 2]" 1
595 1 32 THR MG 1 80 LYS HG2 . . 3.700 3.539 3.135 3.699 . 0 0 "[ . 1 . 2]" 1
596 1 32 THR MG 1 80 LYS HG3 . . 3.720 2.726 2.235 2.996 . 0 0 "[ . 1 . 2]" 1
597 1 33 SER H 1 33 SER HB2 . . 4.100 3.550 2.757 3.961 . 0 0 "[ . 1 . 2]" 1
598 1 33 SER H 1 33 SER HB3 . . 4.100 3.165 2.814 3.929 . 0 0 "[ . 1 . 2]" 1
599 1 33 SER H 1 34 ILE H . . 4.520 4.417 4.357 4.458 . 0 0 "[ . 1 . 2]" 1
600 1 33 SER H 1 76 ASN HA . . 5.110 4.618 4.333 4.838 . 0 0 "[ . 1 . 2]" 1
601 1 33 SER H 1 78 LEU HB2 . . 4.970 4.300 3.860 4.839 . 0 0 "[ . 1 . 2]" 1
602 1 33 SER H 1 78 LEU MD1 . . 4.650 4.177 3.717 4.517 . 0 0 "[ . 1 . 2]" 1
603 1 33 SER H 1 107 THR MG . . 4.150 3.696 3.368 4.000 . 0 0 "[ . 1 . 2]" 1
604 1 33 SER HA 1 34 ILE H . . 2.710 2.487 2.268 2.557 . 0 0 "[ . 1 . 2]" 1
605 1 33 SER HA 1 34 ILE HA . . 5.500 4.527 4.427 4.569 . 0 0 "[ . 1 . 2]" 1
606 1 33 SER HA 1 34 ILE HB . . 4.880 4.414 4.307 4.511 . 0 0 "[ . 1 . 2]" 1
607 1 33 SER HA 1 34 ILE HG13 . . 4.740 3.514 3.390 3.692 . 0 0 "[ . 1 . 2]" 1
608 1 33 SER HA 1 74 THR MG . . 4.650 4.438 4.104 4.640 . 0 0 "[ . 1 . 2]" 1
609 1 33 SER HA 1 75 ILE H . . 5.400 4.982 4.767 5.245 . 0 0 "[ . 1 . 2]" 1
610 1 33 SER HA 1 75 ILE HB . . 5.080 4.592 4.320 4.791 . 0 0 "[ . 1 . 2]" 1
611 1 33 SER HA 1 75 ILE MG . . 4.800 4.062 3.913 4.207 . 0 0 "[ . 1 . 2]" 1
612 1 33 SER HA 1 76 ASN HA . . 3.500 2.292 2.000 2.636 . 0 0 "[ . 1 . 2]" 1
613 1 33 SER HA 1 77 GLY H . . 4.930 3.677 3.325 4.017 . 0 0 "[ . 1 . 2]" 1
614 1 33 SER HA 1 78 LEU H . . 4.530 3.926 3.618 4.251 . 0 0 "[ . 1 . 2]" 1
615 1 33 SER HA 1 78 LEU MD1 . . 3.710 2.594 2.148 2.945 . 0 0 "[ . 1 . 2]" 1
616 1 33 SER HA 1 78 LEU HG . . 3.900 2.970 2.548 3.298 . 0 0 "[ . 1 . 2]" 1
617 1 33 SER HA 1 107 THR MG . . 4.820 4.337 4.178 4.658 . 0 0 "[ . 1 . 2]" 1
618 1 33 SER QB 1 34 ILE H . . 3.290 2.506 2.210 3.017 . 0 0 "[ . 1 . 2]" 1
619 1 33 SER QB 1 34 ILE HB . . 5.340 5.083 4.838 5.340 . 0 0 "[ . 1 . 2]" 1
620 1 33 SER QB 1 76 ASN HA . . 3.310 2.352 1.941 2.815 . 0 0 "[ . 1 . 2]" 1
621 1 33 SER QB 1 76 ASN QB . . 4.380 3.025 2.275 3.582 . 0 0 "[ . 1 . 2]" 1
622 1 33 SER QB 1 77 GLY H . . 4.330 3.796 3.256 4.326 . 0 0 "[ . 1 . 2]" 1
623 1 33 SER QB 1 78 LEU H . . 5.340 4.903 4.505 5.352 0.012 17 0 "[ . 1 . 2]" 1
624 1 33 SER QB 1 78 LEU HG . . 5.340 4.639 4.026 5.065 . 0 0 "[ . 1 . 2]" 1
625 1 33 SER HB2 1 34 ILE H . . 3.900 2.883 2.227 3.910 0.010 1 0 "[ . 1 . 2]" 1
626 1 33 SER HB2 1 74 THR MG . . 3.910 3.058 2.323 3.901 . 0 0 "[ . 1 . 2]" 1
627 1 33 SER HB2 1 76 ASN HA . . 3.950 2.700 2.001 3.806 . 0 0 "[ . 1 . 2]" 1
628 1 33 SER HB3 1 34 ILE H . . 3.900 3.450 2.246 3.897 . 0 0 "[ . 1 . 2]" 1
629 1 33 SER HB3 1 74 THR MG . . 3.910 3.541 2.697 3.923 0.013 11 0 "[ . 1 . 2]" 1
630 1 33 SER HB3 1 76 ASN HA . . 3.950 2.855 2.219 3.960 0.010 14 0 "[ . 1 . 2]" 1
631 1 34 ILE H 1 34 ILE HB . . 3.230 2.863 2.695 2.947 . 0 0 "[ . 1 . 2]" 1
632 1 34 ILE H 1 34 ILE MD . . 5.000 4.329 4.008 4.554 . 0 0 "[ . 1 . 2]" 1
633 1 34 ILE H 1 34 ILE HG13 . . 3.960 3.272 3.000 3.459 . 0 0 "[ . 1 . 2]" 1
634 1 34 ILE H 1 34 ILE MG . . 4.270 3.899 3.845 3.936 . 0 0 "[ . 1 . 2]" 1
635 1 34 ILE H 1 35 THR H . . 4.790 4.200 4.000 4.441 . 0 0 "[ . 1 . 2]" 1
636 1 34 ILE H 1 74 THR HA . . 4.710 4.307 4.028 4.558 . 0 0 "[ . 1 . 2]" 1
637 1 34 ILE H 1 74 THR MG . . 3.890 3.149 2.840 3.535 . 0 0 "[ . 1 . 2]" 1
638 1 34 ILE H 1 75 ILE H . . 3.560 2.956 2.723 3.180 . 0 0 "[ . 1 . 2]" 1
639 1 34 ILE H 1 75 ILE HB . . 4.140 3.329 3.014 3.526 . 0 0 "[ . 1 . 2]" 1
640 1 34 ILE H 1 75 ILE MG . . 4.110 4.054 3.781 4.115 0.005 11 0 "[ . 1 . 2]" 1
641 1 34 ILE H 1 76 ASN HA . . 4.310 3.722 3.487 3.991 . 0 0 "[ . 1 . 2]" 1
642 1 34 ILE H 1 78 LEU MD1 . . 3.640 3.098 2.509 3.402 . 0 0 "[ . 1 . 2]" 1
643 1 34 ILE H 1 107 THR MG . . 5.500 4.873 4.622 5.082 . 0 0 "[ . 1 . 2]" 1
644 1 34 ILE HA 1 34 ILE MD . . 4.000 3.823 3.753 3.860 . 0 0 "[ . 1 . 2]" 1
645 1 34 ILE HA 1 34 ILE HG12 . . 3.880 2.529 2.385 2.622 . 0 0 "[ . 1 . 2]" 1
646 1 34 ILE HA 1 34 ILE HG13 . . 3.990 2.899 2.804 3.009 . 0 0 "[ . 1 . 2]" 1
647 1 34 ILE HA 1 34 ILE MG . . 3.360 2.389 2.341 2.494 . 0 0 "[ . 1 . 2]" 1
648 1 34 ILE HA 1 35 THR H . . 2.750 2.176 2.139 2.284 . 0 0 "[ . 1 . 2]" 1
649 1 34 ILE HA 1 35 THR HB . . 5.150 4.558 4.480 4.666 . 0 0 "[ . 1 . 2]" 1
650 1 34 ILE HA 1 78 LEU MD1 . . 5.230 4.220 3.861 4.488 . 0 0 "[ . 1 . 2]" 1
651 1 34 ILE HA 1 107 THR MG . . 5.080 4.074 3.938 4.228 . 0 0 "[ . 1 . 2]" 1
652 1 34 ILE HB 1 34 ILE MD . . 3.040 2.396 2.346 2.470 . 0 0 "[ . 1 . 2]" 1
653 1 34 ILE HB 1 35 THR H . . 4.420 4.157 3.850 4.353 . 0 0 "[ . 1 . 2]" 1
654 1 34 ILE HB 1 75 ILE H . . 5.120 3.897 3.707 4.265 . 0 0 "[ . 1 . 2]" 1
655 1 34 ILE HB 1 75 ILE HB . . 3.970 3.030 2.740 3.186 . 0 0 "[ . 1 . 2]" 1
656 1 34 ILE HB 1 75 ILE MG . . 4.120 4.063 3.858 4.122 0.002 20 0 "[ . 1 . 2]" 1
657 1 34 ILE HB 1 78 LEU MD1 . . 3.650 2.710 2.417 2.965 . 0 0 "[ . 1 . 2]" 1
658 1 34 ILE HB 1 86 PHE QE . . 3.990 3.639 3.365 3.864 . 0 0 "[ . 1 . 2]" 1
659 1 34 ILE HB 1 86 PHE HZ . . 3.900 2.773 2.448 3.143 . 0 0 "[ . 1 . 2]" 1
660 1 34 ILE HB 1 107 THR MG . . 4.380 4.222 4.061 4.361 . 0 0 "[ . 1 . 2]" 1
661 1 34 ILE MD 1 34 ILE MG . . 2.650 1.956 1.893 2.079 . 0 0 "[ . 1 . 2]" 1
662 1 34 ILE MD 1 55 TYR QB . . 5.340 4.773 4.596 4.903 . 0 0 "[ . 1 . 2]" 1
663 1 34 ILE MD 1 78 LEU MD1 . . 3.070 1.905 1.784 2.212 . 0 0 "[ . 1 . 2]" 1
664 1 34 ILE MD 1 78 LEU MD2 . . 3.850 3.752 3.500 3.849 . 0 0 "[ . 1 . 2]" 1
665 1 34 ILE MD 1 84 TYR H . . 4.550 4.102 3.709 4.348 . 0 0 "[ . 1 . 2]" 1
666 1 34 ILE MD 1 84 TYR HB2 . . 3.480 2.421 2.242 2.773 . 0 0 "[ . 1 . 2]" 1
667 1 34 ILE MD 1 84 TYR HB3 . . 3.990 3.291 3.023 3.829 . 0 0 "[ . 1 . 2]" 1
668 1 34 ILE MD 1 86 PHE QD . . 4.260 4.056 3.989 4.212 . 0 0 "[ . 1 . 2]" 1
669 1 34 ILE MD 1 86 PHE QE . . 2.950 2.003 1.962 2.165 . 0 0 "[ . 1 . 2]" 1
670 1 34 ILE MD 1 86 PHE HZ . . 2.990 2.015 1.838 2.226 . 0 0 "[ . 1 . 2]" 1
671 1 34 ILE MD 1 105 VAL H . . 4.800 4.533 4.299 4.678 . 0 0 "[ . 1 . 2]" 1
672 1 34 ILE MD 1 105 VAL HB . . 4.980 4.787 4.557 4.915 . 0 0 "[ . 1 . 2]" 1
673 1 34 ILE MD 1 106 ARG H . . 5.500 5.408 5.130 5.506 0.006 15 0 "[ . 1 . 2]" 1
674 1 34 ILE MD 1 107 THR H . . 4.070 3.910 3.671 4.076 0.006 8 0 "[ . 1 . 2]" 1
675 1 34 ILE MD 1 107 THR HA . . 4.200 3.759 3.525 3.989 . 0 0 "[ . 1 . 2]" 1
676 1 34 ILE MD 1 107 THR MG . . 2.850 1.853 1.758 1.934 . 0 0 "[ . 1 . 2]" 1
677 1 34 ILE HG12 1 34 ILE MG . . 3.180 2.369 2.291 2.497 . 0 0 "[ . 1 . 2]" 1
678 1 34 ILE HG12 1 35 THR H . . 4.520 4.234 4.064 4.394 . 0 0 "[ . 1 . 2]" 1
679 1 34 ILE HG12 1 78 LEU MD1 . . 4.190 3.495 3.220 3.700 . 0 0 "[ . 1 . 2]" 1
680 1 34 ILE HG12 1 107 THR HA . . 4.500 3.679 3.355 3.869 . 0 0 "[ . 1 . 2]" 1
681 1 34 ILE HG12 1 107 THR MG . . 3.710 2.218 1.954 2.441 . 0 0 "[ . 1 . 2]" 1
682 1 34 ILE HG13 1 34 ILE MG . . 3.580 3.192 3.184 3.203 . 0 0 "[ . 1 . 2]" 1
683 1 34 ILE HG13 1 35 THR H . . 5.130 4.922 4.791 5.050 . 0 0 "[ . 1 . 2]" 1
684 1 34 ILE HG13 1 78 LEU MD1 . . 3.370 2.074 1.856 2.374 . 0 0 "[ . 1 . 2]" 1
685 1 34 ILE HG13 1 86 PHE HZ . . 5.270 4.121 3.888 4.307 . 0 0 "[ . 1 . 2]" 1
686 1 34 ILE HG13 1 107 THR HA . . 5.130 4.679 4.387 4.912 . 0 0 "[ . 1 . 2]" 1
687 1 34 ILE HG13 1 107 THR MG . . 3.220 2.332 2.219 2.494 . 0 0 "[ . 1 . 2]" 1
688 1 34 ILE MG 1 35 THR H . . 3.190 2.368 1.867 2.792 . 0 0 "[ . 1 . 2]" 1
689 1 34 ILE MG 1 35 THR HB . . 5.010 4.290 4.052 4.547 . 0 0 "[ . 1 . 2]" 1
690 1 34 ILE MG 1 36 VAL H . . 5.000 4.057 3.252 4.440 . 0 0 "[ . 1 . 2]" 1
691 1 34 ILE MG 1 36 VAL HB . . 4.860 4.675 4.350 4.847 . 0 0 "[ . 1 . 2]" 1
692 1 34 ILE MG 1 36 VAL MG2 . . 2.400 2.259 2.048 2.392 . 0 0 "[ . 1 . 2]" 1
693 1 34 ILE MG 1 78 LEU MD1 . . 4.090 3.762 3.524 3.954 . 0 0 "[ . 1 . 2]" 1
694 1 34 ILE MG 1 84 TYR HB2 . . 5.250 4.264 3.894 4.680 . 0 0 "[ . 1 . 2]" 1
695 1 34 ILE MG 1 86 PHE QD . . 4.550 3.674 3.407 3.941 . 0 0 "[ . 1 . 2]" 1
696 1 34 ILE MG 1 86 PHE QE . . 3.550 2.437 2.159 2.830 . 0 0 "[ . 1 . 2]" 1
697 1 34 ILE MG 1 86 PHE HZ . . 3.670 2.969 2.508 3.341 . 0 0 "[ . 1 . 2]" 1
698 1 34 ILE MG 1 105 VAL HB . . 4.600 4.379 4.101 4.581 . 0 0 "[ . 1 . 2]" 1
699 1 34 ILE MG 1 105 VAL MG1 . . 2.990 2.187 1.882 2.358 . 0 0 "[ . 1 . 2]" 1
700 1 34 ILE MG 1 105 VAL MG2 . . 3.870 3.577 3.245 3.833 . 0 0 "[ . 1 . 2]" 1
701 1 34 ILE MG 1 107 THR MG . . 4.170 3.729 3.521 3.913 . 0 0 "[ . 1 . 2]" 1
702 1 35 THR H 1 35 THR HB . . 3.130 2.511 2.438 2.648 . 0 0 "[ . 1 . 2]" 1
703 1 35 THR H 1 35 THR MG . . 3.970 3.794 3.752 3.858 . 0 0 "[ . 1 . 2]" 1
704 1 35 THR H 1 36 VAL H . . 4.530 4.384 3.990 4.541 0.011 3 0 "[ . 1 . 2]" 1
705 1 35 THR H 1 36 VAL MG2 . . 5.090 4.112 3.950 4.260 . 0 0 "[ . 1 . 2]" 1
706 1 35 THR HB 1 36 VAL H . . 4.650 4.245 4.054 4.500 . 0 0 "[ . 1 . 2]" 1
707 1 35 THR HB 1 37 THR MG . . 4.680 4.427 3.989 4.675 . 0 0 "[ . 1 . 2]" 1
708 1 35 THR HB 1 74 THR MG . . 4.980 4.574 4.066 4.984 0.004 7 0 "[ . 1 . 2]" 1
709 1 35 THR MG 1 36 VAL H . . 3.430 2.604 2.129 3.204 . 0 0 "[ . 1 . 2]" 1
710 1 35 THR MG 1 37 THR HB . . 5.230 4.953 4.654 5.136 . 0 0 "[ . 1 . 2]" 1
711 1 35 THR MG 1 72 SER QB . . 3.830 3.303 2.988 3.800 . 0 0 "[ . 1 . 2]" 1
712 1 35 THR MG 1 73 TYR H . . 4.740 3.795 3.514 4.140 . 0 0 "[ . 1 . 2]" 1
713 1 35 THR MG 1 73 TYR HA . . 5.500 4.850 4.362 5.254 . 0 0 "[ . 1 . 2]" 1
714 1 35 THR MG 1 74 THR H . . 5.500 5.017 4.686 5.427 . 0 0 "[ . 1 . 2]" 1
715 1 35 THR MG 1 74 THR HA . . 4.210 3.713 3.471 3.982 . 0 0 "[ . 1 . 2]" 1
716 1 36 VAL H 1 36 VAL HB . . 3.430 2.712 2.565 2.842 . 0 0 "[ . 1 . 2]" 1
717 1 36 VAL H 1 36 VAL MG1 . . 4.260 3.877 3.795 3.938 . 0 0 "[ . 1 . 2]" 1
718 1 36 VAL H 1 36 VAL MG2 . . 3.540 2.641 2.061 2.865 . 0 0 "[ . 1 . 2]" 1
719 1 36 VAL H 1 74 THR HA . . 3.800 3.502 3.163 3.781 . 0 0 "[ . 1 . 2]" 1
720 1 36 VAL HB 1 37 THR H . . 4.410 4.058 3.915 4.159 . 0 0 "[ . 1 . 2]" 1
721 1 36 VAL HB 1 38 TRP HE3 . . 4.250 3.612 3.405 3.831 . 0 0 "[ . 1 . 2]" 1
722 1 36 VAL HB 1 38 TRP HZ3 . . 3.220 2.430 2.156 2.655 . 0 0 "[ . 1 . 2]" 1
723 1 36 VAL HB 1 53 LEU MD1 . . 3.800 3.077 2.490 3.566 . 0 0 "[ . 1 . 2]" 1
724 1 36 VAL HB 1 53 LEU MD2 . . 3.670 2.931 2.325 3.394 . 0 0 "[ . 1 . 2]" 1
725 1 36 VAL HB 1 73 TYR H . . 4.240 3.716 3.483 3.889 . 0 0 "[ . 1 . 2]" 1
726 1 36 VAL HB 1 73 TYR HB3 . . 4.590 3.895 3.537 4.252 . 0 0 "[ . 1 . 2]" 1
727 1 36 VAL HB 1 75 ILE MD . . 4.830 4.351 3.825 4.693 . 0 0 "[ . 1 . 2]" 1
728 1 36 VAL HB 1 88 VAL MG2 . . 5.470 4.681 4.483 4.835 . 0 0 "[ . 1 . 2]" 1
729 1 36 VAL MG1 1 37 THR H . . 3.220 2.447 2.169 2.717 . 0 0 "[ . 1 . 2]" 1
730 1 36 VAL MG1 1 38 TRP HE3 . . 2.980 2.073 1.970 2.301 . 0 0 "[ . 1 . 2]" 1
731 1 36 VAL MG1 1 38 TRP HZ3 . . 3.340 2.694 2.355 2.933 . 0 0 "[ . 1 . 2]" 1
732 1 36 VAL MG1 1 73 TYR HB3 . . 5.500 5.041 4.692 5.357 . 0 0 "[ . 1 . 2]" 1
733 1 36 VAL MG1 1 86 PHE HB2 . . 4.430 3.538 2.912 3.904 . 0 0 "[ . 1 . 2]" 1
734 1 36 VAL MG1 1 86 PHE HB3 . . 4.100 2.927 2.312 3.253 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL MG1 1 86 PHE QD . . 4.440 3.981 3.551 4.204 . 0 0 "[ . 1 . 2]" 1
736 1 36 VAL MG1 1 88 VAL MG2 . . 3.720 3.099 2.900 3.278 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL MG2 1 37 THR H . . 4.240 4.078 3.958 4.212 . 0 0 "[ . 1 . 2]" 1
738 1 36 VAL MG2 1 38 TRP HZ3 . . 4.120 3.983 3.789 4.122 0.002 13 0 "[ . 1 . 2]" 1
739 1 36 VAL MG2 1 53 LEU MD1 . . 3.270 2.967 2.548 3.263 . 0 0 "[ . 1 . 2]" 1
740 1 36 VAL MG2 1 53 LEU MD2 . . 3.430 3.022 2.636 3.384 . 0 0 "[ . 1 . 2]" 1
741 1 36 VAL MG2 1 73 TYR H . . 4.960 4.809 4.578 4.953 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL MG2 1 73 TYR HB3 . . 5.040 4.617 4.247 4.960 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL MG2 1 73 TYR QD . . 5.110 4.532 4.204 4.845 . 0 0 "[ . 1 . 2]" 1
744 1 36 VAL MG2 1 75 ILE H . . 4.680 4.324 4.037 4.562 . 0 0 "[ . 1 . 2]" 1
745 1 36 VAL MG2 1 75 ILE HB . . 4.770 4.413 4.084 4.725 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL MG2 1 75 ILE MD . . 3.280 2.931 2.570 3.154 . 0 0 "[ . 1 . 2]" 1
747 1 36 VAL MG2 1 75 ILE HG12 . . 5.500 5.296 4.820 5.499 . 0 0 "[ . 1 . 2]" 1
748 1 36 VAL MG2 1 75 ILE HG13 . . 4.240 4.111 3.732 4.245 0.005 9 0 "[ . 1 . 2]" 1
749 1 36 VAL MG2 1 86 PHE HB2 . . 4.740 3.417 2.970 3.634 . 0 0 "[ . 1 . 2]" 1
750 1 36 VAL MG2 1 86 PHE HB3 . . 4.310 3.005 2.625 3.254 . 0 0 "[ . 1 . 2]" 1
751 1 36 VAL MG2 1 86 PHE QD . . 3.750 3.039 2.575 3.217 . 0 0 "[ . 1 . 2]" 1
752 1 36 VAL MG2 1 86 PHE QE . . 3.710 3.449 3.092 3.613 . 0 0 "[ . 1 . 2]" 1
753 1 36 VAL MG2 1 86 PHE HZ . . 4.890 4.131 3.769 4.346 . 0 0 "[ . 1 . 2]" 1
754 1 37 THR H 1 37 THR HB . . 4.020 3.834 3.790 3.891 . 0 0 "[ . 1 . 2]" 1
755 1 37 THR H 1 37 THR HG1 . . 5.120 2.733 1.963 3.849 . 0 0 "[ . 1 . 2]" 1
756 1 37 THR H 1 37 THR MG . . 3.690 2.786 2.497 3.002 . 0 0 "[ . 1 . 2]" 1
757 1 37 THR H 1 38 TRP H . . 4.520 4.394 4.308 4.472 . 0 0 "[ . 1 . 2]" 1
758 1 37 THR H 1 38 TRP HE3 . . 4.130 3.863 3.448 4.110 . 0 0 "[ . 1 . 2]" 1
759 1 37 THR H 1 38 TRP HZ3 . . 5.260 4.932 4.380 5.260 . 15 0 "[ . 1 . 2]" 1
760 1 37 THR HA 1 38 TRP H . . 2.790 2.212 2.159 2.382 . 0 0 "[ . 1 . 2]" 1
761 1 37 THR HB 1 38 TRP H . . 3.200 3.024 2.585 3.210 0.010 16 0 "[ . 1 . 2]" 1
762 1 37 THR HB 1 72 SER HB2 . . 4.990 4.197 2.201 4.996 0.006 7 0 "[ . 1 . 2]" 1
763 1 37 THR HB 1 72 SER QB . . 4.140 3.306 2.187 3.926 . 0 0 "[ . 1 . 2]" 1
764 1 37 THR HB 1 72 SER HB3 . . 4.990 3.597 3.013 4.642 . 0 0 "[ . 1 . 2]" 1
765 1 37 THR HG1 1 38 TRP H . . 5.230 4.062 2.996 4.854 . 0 0 "[ . 1 . 2]" 1
766 1 37 THR MG 1 38 TRP H . . 4.070 4.010 3.908 4.085 0.015 4 0 "[ . 1 . 2]" 1
767 1 37 THR MG 1 72 SER HB2 . . 3.390 2.567 1.952 3.369 . 0 0 "[ . 1 . 2]" 1
768 1 37 THR MG 1 72 SER HB3 . . 3.390 2.748 1.987 3.397 0.007 11 0 "[ . 1 . 2]" 1
769 1 37 THR MG 1 73 TYR H . . 4.420 3.918 3.557 4.249 . 0 0 "[ . 1 . 2]" 1
770 1 38 TRP H 1 38 TRP HD1 . . 4.840 4.312 4.072 4.519 . 0 0 "[ . 1 . 2]" 1
771 1 38 TRP H 1 38 TRP HE1 . . 5.500 5.116 4.971 5.384 . 0 0 "[ . 1 . 2]" 1
772 1 38 TRP H 1 38 TRP HE3 . . 3.930 3.278 2.895 3.743 . 0 0 "[ . 1 . 2]" 1
773 1 38 TRP H 1 38 TRP HZ3 . . 5.500 4.913 4.522 5.382 . 0 0 "[ . 1 . 2]" 1
774 1 38 TRP H 1 71 HIS HA . . 4.750 4.309 3.668 4.688 . 0 0 "[ . 1 . 2]" 1
775 1 38 TRP H 1 71 HIS QB . . 3.470 3.310 3.047 3.468 . 0 0 "[ . 1 . 2]" 1
776 1 38 TRP H 1 71 HIS HD2 . . 5.500 5.231 4.792 5.501 0.001 11 0 "[ . 1 . 2]" 1
777 1 38 TRP H 1 72 SER HA . . 3.890 3.714 3.507 3.874 . 0 0 "[ . 1 . 2]" 1
778 1 38 TRP H 1 73 TYR H . . 5.500 5.459 5.346 5.509 0.009 11 0 "[ . 1 . 2]" 1
779 1 38 TRP HA 1 39 GLU H . . 3.170 2.454 2.343 2.611 . 0 0 "[ . 1 . 2]" 1
780 1 38 TRP HA 1 39 GLU QG . . 5.130 3.982 3.814 4.268 . 0 0 "[ . 1 . 2]" 1
781 1 38 TRP HB2 1 39 GLU H . . 3.340 2.340 2.027 2.587 . 0 0 "[ . 1 . 2]" 1
782 1 38 TRP HB2 1 88 VAL HB . . 5.120 4.248 3.832 4.976 . 0 0 "[ . 1 . 2]" 1
783 1 38 TRP HB2 1 100 THR MG . . 5.090 4.604 4.362 4.924 . 0 0 "[ . 1 . 2]" 1
784 1 38 TRP HB3 1 38 TRP HE3 . . 3.850 2.560 2.482 2.633 . 0 0 "[ . 1 . 2]" 1
785 1 38 TRP HB3 1 39 GLU H . . 3.800 3.698 3.512 3.821 0.021 11 0 "[ . 1 . 2]" 1
786 1 38 TRP HB3 1 88 VAL HB . . 4.980 4.244 3.815 4.801 . 0 0 "[ . 1 . 2]" 1
787 1 38 TRP HB3 1 88 VAL MG2 . . 4.760 2.640 2.152 3.392 . 0 0 "[ . 1 . 2]" 1
788 1 38 TRP HD1 1 39 GLU H . . 4.570 3.552 3.167 3.903 . 0 0 "[ . 1 . 2]" 1
789 1 38 TRP HD1 1 39 GLU HA . . 5.070 3.897 3.480 4.166 . 0 0 "[ . 1 . 2]" 1
790 1 38 TRP HD1 1 40 THR HA . . 5.060 4.083 3.964 4.216 . 0 0 "[ . 1 . 2]" 1
791 1 38 TRP HD1 1 71 HIS HD2 . . 3.850 3.131 2.727 3.502 . 0 0 "[ . 1 . 2]" 1
792 1 38 TRP HD1 1 88 VAL MG1 . . 4.610 3.364 2.729 4.239 . 0 0 "[ . 1 . 2]" 1
793 1 38 TRP HE1 1 51 TYR HB3 . . 4.770 3.251 2.613 3.670 . 0 0 "[ . 1 . 2]" 1
794 1 38 TRP HE1 1 71 HIS HA . . 3.290 2.820 2.384 3.283 . 0 0 "[ . 1 . 2]" 1
795 1 38 TRP HE1 1 71 HIS HD2 . . 3.380 3.071 2.617 3.380 0.000 6 0 "[ . 1 . 2]" 1
796 1 38 TRP HE1 1 88 VAL MG1 . . 4.220 3.357 3.108 4.000 . 0 0 "[ . 1 . 2]" 1
797 1 38 TRP HE3 1 53 LEU MD1 . . 4.140 3.821 3.493 4.017 . 0 0 "[ . 1 . 2]" 1
798 1 38 TRP HE3 1 88 VAL MG2 . . 3.840 2.820 2.628 3.119 . 0 0 "[ . 1 . 2]" 1
799 1 38 TRP HH2 1 51 TYR HB2 . . 5.500 5.245 4.891 5.506 0.006 13 0 "[ . 1 . 2]" 1
800 1 38 TRP HH2 1 51 TYR HB3 . . 5.500 4.905 4.460 5.360 . 0 0 "[ . 1 . 2]" 1
801 1 38 TRP HH2 1 53 LEU HB2 . . 4.490 3.173 2.664 3.421 . 0 0 "[ . 1 . 2]" 1
802 1 38 TRP HH2 1 53 LEU HB3 . . 5.460 4.020 3.573 4.647 . 0 0 "[ . 1 . 2]" 1
803 1 38 TRP HH2 1 53 LEU MD2 . . 4.000 2.589 2.316 2.812 . 0 0 "[ . 1 . 2]" 1
804 1 38 TRP HH2 1 53 LEU HG . . 5.500 5.270 4.885 5.498 . 0 0 "[ . 1 . 2]" 1
805 1 38 TRP HH2 1 68 VAL HB . . 4.170 3.504 3.100 3.771 . 0 0 "[ . 1 . 2]" 1
806 1 38 TRP HH2 1 68 VAL MG1 . . 3.200 2.361 1.991 2.896 . 0 0 "[ . 1 . 2]" 1
807 1 38 TRP HH2 1 68 VAL MG2 . . 3.390 2.878 2.313 3.301 . 0 0 "[ . 1 . 2]" 1
808 1 38 TRP HH2 1 72 SER H . . 5.380 5.117 4.322 5.382 0.002 6 0 "[ . 1 . 2]" 1
809 1 38 TRP HH2 1 73 TYR H . . 4.820 3.722 3.117 4.403 . 0 0 "[ . 1 . 2]" 1
810 1 38 TRP HH2 1 73 TYR HB2 . . 3.950 2.696 2.450 3.027 . 0 0 "[ . 1 . 2]" 1
811 1 38 TRP HH2 1 73 TYR HB3 . . 4.240 2.889 2.426 3.255 . 0 0 "[ . 1 . 2]" 1
812 1 38 TRP HH2 1 88 VAL MG2 . . 4.920 4.183 3.313 4.455 . 0 0 "[ . 1 . 2]" 1
813 1 38 TRP HZ2 1 51 TYR HB2 . . 3.830 3.199 2.824 3.547 . 0 0 "[ . 1 . 2]" 1
814 1 38 TRP HZ2 1 51 TYR HB3 . . 4.110 3.025 2.563 3.454 . 0 0 "[ . 1 . 2]" 1
815 1 38 TRP HZ2 1 68 VAL HB . . 3.720 3.207 2.619 3.529 . 0 0 "[ . 1 . 2]" 1
816 1 38 TRP HZ2 1 68 VAL MG1 . . 3.130 2.577 2.075 3.036 . 0 0 "[ . 1 . 2]" 1
817 1 38 TRP HZ2 1 68 VAL MG2 . . 4.240 3.988 3.279 4.239 . 0 0 "[ . 1 . 2]" 1
818 1 38 TRP HZ2 1 70 SER H . . 5.500 4.570 3.522 5.502 0.002 19 0 "[ . 1 . 2]" 1
819 1 38 TRP HZ2 1 71 HIS HA . . 3.920 3.406 2.825 3.910 . 0 0 "[ . 1 . 2]" 1
820 1 38 TRP HZ2 1 88 VAL MG1 . . 4.470 4.059 3.596 4.419 . 0 0 "[ . 1 . 2]" 1
821 1 38 TRP HZ3 1 53 LEU MD1 . . 3.650 2.849 2.350 3.276 . 0 0 "[ . 1 . 2]" 1
822 1 38 TRP HZ3 1 53 LEU MD2 . . 3.710 2.596 2.320 2.945 . 0 0 "[ . 1 . 2]" 1
823 1 38 TRP HZ3 1 53 LEU HG . . 5.500 5.138 4.847 5.409 . 0 0 "[ . 1 . 2]" 1
824 1 38 TRP HZ3 1 73 TYR H . . 4.240 3.205 2.740 4.073 . 0 0 "[ . 1 . 2]" 1
825 1 38 TRP HZ3 1 73 TYR HB3 . . 4.430 3.273 3.100 3.540 . 0 0 "[ . 1 . 2]" 1
826 1 38 TRP HZ3 1 88 VAL MG2 . . 4.360 3.586 2.951 3.790 . 0 0 "[ . 1 . 2]" 1
827 1 39 GLU H 1 39 GLU HB2 . . 3.540 2.424 2.329 2.531 . 0 0 "[ . 1 . 2]" 1
828 1 39 GLU H 1 39 GLU HB3 . . 4.200 3.611 3.535 3.681 . 0 0 "[ . 1 . 2]" 1
829 1 39 GLU H 1 39 GLU QG . . 4.020 3.272 3.100 3.411 . 0 0 "[ . 1 . 2]" 1
830 1 39 GLU HA 1 39 GLU HG2 . . 3.880 2.638 2.269 2.971 . 0 0 "[ . 1 . 2]" 1
831 1 39 GLU HA 1 39 GLU HG3 . . 3.880 3.627 3.192 3.683 . 0 0 "[ . 1 . 2]" 1
832 1 39 GLU HA 1 40 THR H . . 3.040 2.418 2.403 2.432 . 0 0 "[ . 1 . 2]" 1
833 1 39 GLU HA 1 40 THR HB . . 5.500 4.767 4.630 4.981 . 0 0 "[ . 1 . 2]" 1
834 1 39 GLU HA 1 71 HIS HD2 . . 4.490 3.817 3.136 4.205 . 0 0 "[ . 1 . 2]" 1
835 1 39 GLU HB2 1 40 THR H . . 3.940 3.805 3.742 3.868 . 0 0 "[ . 1 . 2]" 1
836 1 39 GLU HB3 1 40 THR H . . 3.220 2.427 2.398 2.488 . 0 0 "[ . 1 . 2]" 1
837 1 39 GLU HB3 1 40 THR HB . . 4.720 4.518 4.451 4.639 . 0 0 "[ . 1 . 2]" 1
838 1 39 GLU QG 1 40 THR H . . 5.330 3.980 3.641 4.088 . 0 0 "[ . 1 . 2]" 1
839 1 40 THR H 1 40 THR HB . . 3.090 2.442 2.338 2.628 . 0 0 "[ . 1 . 2]" 1
840 1 40 THR H 1 40 THR MG . . 4.110 3.757 3.701 3.802 . 0 0 "[ . 1 . 2]" 1
841 1 40 THR H 1 71 HIS HD2 . . 4.540 4.252 3.518 4.538 . 0 0 "[ . 1 . 2]" 1
842 1 40 THR HA 1 40 THR MG . . 3.340 2.475 2.321 2.548 . 0 0 "[ . 1 . 2]" 1
843 1 40 THR HA 1 41 PRO HD2 . . 3.800 2.121 2.074 2.181 . 0 0 "[ . 1 . 2]" 1
844 1 40 THR HA 1 41 PRO QD . . 3.290 1.944 1.921 1.974 . 0 0 "[ . 1 . 2]" 1
845 1 40 THR HA 1 41 PRO HD3 . . 3.800 2.260 2.255 2.270 . 0 0 "[ . 1 . 2]" 1
846 1 40 THR HA 1 41 PRO HG2 . . 5.500 4.290 4.253 4.338 . 0 0 "[ . 1 . 2]" 1
847 1 40 THR HA 1 51 TYR HE1 . . 4.910 3.836 3.095 4.475 . 0 0 "[ . 1 . 2]" 1
848 1 40 THR HA 1 71 HIS HD2 . . 5.080 4.291 3.722 4.646 . 0 0 "[ . 1 . 2]" 1
849 1 40 THR HB 1 41 PRO QD . . 4.570 3.899 3.793 4.020 . 0 0 "[ . 1 . 2]" 1
850 1 40 THR MG 1 41 PRO HD2 . . 3.970 1.922 1.834 2.002 . 0 0 "[ . 1 . 2]" 1
851 1 40 THR MG 1 41 PRO QD . . 3.310 1.910 1.822 1.987 . 0 0 "[ . 1 . 2]" 1
852 1 40 THR MG 1 41 PRO HD3 . . 3.970 3.285 3.162 3.418 . 0 0 "[ . 1 . 2]" 1
853 1 40 THR MG 1 41 PRO HG2 . . 4.010 3.081 2.942 3.199 . 0 0 "[ . 1 . 2]" 1
854 1 40 THR MG 1 51 TYR HE1 . . 5.040 3.997 3.238 4.683 . 0 0 "[ . 1 . 2]" 1
855 1 40 THR MG 1 71 HIS HD2 . . 5.500 4.976 4.502 5.379 . 0 0 "[ . 1 . 2]" 1
856 1 40 THR MG 1 71 HIS HE1 . . 5.500 5.343 5.057 5.509 0.009 11 0 "[ . 1 . 2]" 1
857 1 41 PRO HA 1 42 VAL H . . 3.070 2.170 2.152 2.213 . 0 0 "[ . 1 . 2]" 1
858 1 41 PRO HA 1 42 VAL MG2 . . 4.400 3.799 3.583 4.019 . 0 0 "[ . 1 . 2]" 1
859 1 41 PRO HA 1 43 SER H . . 4.790 3.674 3.397 4.376 . 0 0 "[ . 1 . 2]" 1
860 1 41 PRO HB2 1 42 VAL MG2 . . 5.170 4.486 4.016 4.938 . 0 0 "[ . 1 . 2]" 1
861 1 41 PRO HB2 1 43 SER H . . 4.610 3.105 2.571 3.630 . 0 0 "[ . 1 . 2]" 1
862 1 41 PRO QD 1 90 ALA MB . . 4.960 3.762 3.384 4.111 . 0 0 "[ . 1 . 2]" 1
863 1 41 PRO HD2 1 51 TYR HE1 . . 4.690 3.391 2.977 3.807 . 0 0 "[ . 1 . 2]" 1
864 1 41 PRO HD3 1 51 TYR HE1 . . 4.690 3.592 2.869 3.984 . 0 0 "[ . 1 . 2]" 1
865 1 41 PRO HG2 1 51 TYR HE1 . . 5.140 4.850 4.201 5.143 0.003 8 0 "[ . 1 . 2]" 1
866 1 42 VAL H 1 42 VAL HB . . 3.840 3.617 3.607 3.635 . 0 0 "[ . 1 . 2]" 1
867 1 42 VAL H 1 42 VAL MG1 . . 3.470 2.008 1.875 2.325 . 0 0 "[ . 1 . 2]" 1
868 1 42 VAL H 1 42 VAL MG2 . . 3.280 2.234 1.922 2.493 . 0 0 "[ . 1 . 2]" 1
869 1 42 VAL H 1 43 SER H . . 3.480 2.772 2.419 3.537 0.057 18 0 "[ . 1 . 2]" 1
870 1 42 VAL HA 1 42 VAL MG1 . . 3.160 2.386 2.276 2.489 . 0 0 "[ . 1 . 2]" 1
871 1 42 VAL HA 1 42 VAL MG2 . . 3.430 3.196 3.185 3.202 . 0 0 "[ . 1 . 2]" 1
872 1 42 VAL HA 1 43 SER H . . 3.570 3.440 2.613 3.552 . 0 0 "[ . 1 . 2]" 1
873 1 42 VAL HB 1 43 SER H . . 4.230 3.926 3.597 4.369 0.139 18 0 "[ . 1 . 2]" 1
874 1 42 VAL MG1 1 43 SER H . . 4.690 3.911 3.729 4.365 . 0 0 "[ . 1 . 2]" 1
875 1 42 VAL MG2 1 43 SER H . . 4.070 2.234 1.839 3.915 . 0 0 "[ . 1 . 2]" 1
876 1 42 VAL MG2 1 43 SER QB . . 4.300 3.037 2.556 4.313 0.013 18 0 "[ . 1 . 2]" 1
877 1 43 SER H 1 43 SER QB . . 3.670 2.395 2.217 3.222 . 0 0 "[ . 1 . 2]" 1
878 1 43 SER H 1 44 GLY H . . 4.600 4.259 2.687 4.608 0.008 9 0 "[ . 1 . 2]" 1
879 1 43 SER QB 1 44 GLY H . . 4.240 3.259 2.183 4.016 . 0 0 "[ . 1 . 2]" 1
880 1 43 SER HB2 1 44 GLY H . . 4.930 4.058 2.930 4.607 . 0 0 "[ . 1 . 2]" 1
881 1 43 SER HB3 1 44 GLY H . . 4.930 3.564 2.203 4.542 . 0 0 "[ . 1 . 2]" 1
882 1 44 GLY H 1 45 ASN H . . 5.000 4.231 3.093 4.641 . 0 0 "[ . 1 . 2]" 1
883 1 45 ASN H 1 45 ASN QB . . 3.650 2.451 2.211 2.905 . 0 0 "[ . 1 . 2]" 1
884 1 45 ASN H 1 92 ASN HD21 . . 4.440 3.883 3.483 4.234 . 0 0 "[ . 1 . 2]" 1
885 1 45 ASN H 1 92 ASN QD . . 3.890 3.535 3.204 3.825 . 0 0 "[ . 1 . 2]" 1
886 1 45 ASN H 1 92 ASN HD22 . . 4.440 4.094 3.561 4.440 0.000 4 0 "[ . 1 . 2]" 1
887 1 47 GLU H 1 47 GLU HB2 . . 4.180 2.940 2.187 3.746 . 0 0 "[ . 1 . 2]" 1
888 1 47 GLU H 1 47 GLU QB . . 3.450 2.533 2.166 3.175 . 0 0 "[ . 1 . 2]" 1
889 1 47 GLU H 1 47 GLU HB3 . . 4.180 3.132 2.629 4.016 . 0 0 "[ . 1 . 2]" 1
890 1 47 GLU H 1 47 GLU HG2 . . 4.780 3.349 2.049 4.628 . 0 0 "[ . 1 . 2]" 1
891 1 47 GLU H 1 47 GLU QG . . 4.200 3.025 2.032 4.130 . 0 0 "[ . 1 . 2]" 1
892 1 47 GLU H 1 47 GLU HG3 . . 4.780 3.733 2.373 4.696 . 0 0 "[ . 1 . 2]" 1
893 1 47 GLU H 1 48 ILE H . . 4.600 4.427 2.940 4.591 . 0 0 "[ . 1 . 2]" 1
894 1 47 GLU HA 1 47 GLU HG2 . . 4.060 2.978 2.236 3.849 . 0 0 "[ . 1 . 2]" 1
895 1 47 GLU HA 1 47 GLU QG . . 3.500 2.683 2.194 3.385 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLU HA 1 47 GLU HG3 . . 4.060 3.329 2.308 4.190 0.130 15 0 "[ . 1 . 2]" 1
897 1 47 GLU HA 1 48 ILE H . . 2.940 2.257 2.140 2.756 . 0 0 "[ . 1 . 2]" 1
898 1 47 GLU HA 1 48 ILE HB . . 5.280 4.796 4.640 4.955 . 0 0 "[ . 1 . 2]" 1
899 1 47 GLU HB2 1 48 ILE H . . 4.440 3.772 2.362 4.420 . 0 0 "[ . 1 . 2]" 1
900 1 47 GLU HB3 1 48 ILE H . . 4.440 3.674 2.790 4.376 . 0 0 "[ . 1 . 2]" 1
901 1 47 GLU HG2 1 48 ILE H . . 5.500 4.018 2.347 5.082 . 0 0 "[ . 1 . 2]" 1
902 1 47 GLU HG3 1 48 ILE H . . 5.500 4.233 2.398 5.402 . 0 0 "[ . 1 . 2]" 1
903 1 48 ILE H 1 48 ILE HB . . 3.040 2.607 2.495 2.748 . 0 0 "[ . 1 . 2]" 1
904 1 48 ILE H 1 48 ILE QG . . 2.800 2.059 1.891 2.354 . 0 0 "[ . 1 . 2]" 1
905 1 48 ILE H 1 48 ILE MG . . 4.320 3.773 3.744 3.826 . 0 0 "[ . 1 . 2]" 1
906 1 48 ILE HA 1 48 ILE MD . . 3.000 2.057 1.960 2.332 . 0 0 "[ . 1 . 2]" 1
907 1 48 ILE HA 1 48 ILE MG . . 3.380 2.334 2.202 2.425 . 0 0 "[ . 1 . 2]" 1
908 1 48 ILE HA 1 49 GLN H . . 3.200 2.183 2.140 2.328 . 0 0 "[ . 1 . 2]" 1
909 1 48 ILE HA 1 49 GLN QG . . 4.690 3.927 3.610 4.702 0.012 16 0 "[ . 1 . 2]" 1
910 1 48 ILE HA 1 50 ASN H . . 5.030 4.253 3.699 4.585 . 0 0 "[ . 1 . 2]" 1
911 1 48 ILE HA 1 92 ASN HA . . 4.060 3.333 2.537 4.042 . 0 0 "[ . 1 . 2]" 1
912 1 48 ILE HA 1 92 ASN HB2 . . 4.810 4.135 3.150 4.854 0.044 19 0 "[ . 1 . 2]" 1
913 1 48 ILE HA 1 92 ASN QB . . 4.190 3.232 2.088 4.219 0.029 14 0 "[ . 1 . 2]" 1
914 1 48 ILE HA 1 92 ASN HB3 . . 4.810 3.425 2.114 4.817 0.007 8 0 "[ . 1 . 2]" 1
915 1 48 ILE HB 1 49 GLN HA . . 5.500 5.016 4.625 5.247 . 0 0 "[ . 1 . 2]" 1
916 1 48 ILE MD 1 48 ILE MG . . 3.400 1.969 1.851 2.141 . 0 0 "[ . 1 . 2]" 1
917 1 48 ILE MD 1 49 GLN H . . 4.600 3.644 3.449 3.887 . 0 0 "[ . 1 . 2]" 1
918 1 48 ILE MD 1 90 ALA MB . . 3.280 2.086 1.778 2.424 . 0 0 "[ . 1 . 2]" 1
919 1 48 ILE MD 1 91 TYR H . . 4.960 3.561 2.367 4.340 . 0 0 "[ . 1 . 2]" 1
920 1 48 ILE MD 1 92 ASN HB2 . . 4.580 4.000 3.359 4.467 . 0 0 "[ . 1 . 2]" 1
921 1 48 ILE MD 1 92 ASN QB . . 3.760 3.033 2.203 3.818 0.058 19 0 "[ . 1 . 2]" 1
922 1 48 ILE MD 1 92 ASN HB3 . . 4.580 3.289 2.223 4.541 . 0 0 "[ . 1 . 2]" 1
923 1 48 ILE MG 1 49 GLN H . . 3.760 2.398 1.937 3.165 . 0 0 "[ . 1 . 2]" 1
924 1 48 ILE MG 1 49 GLN HA . . 4.900 4.010 3.589 4.437 . 0 0 "[ . 1 . 2]" 1
925 1 48 ILE MG 1 49 GLN QG . . 5.500 4.434 3.933 4.908 . 0 0 "[ . 1 . 2]" 1
926 1 48 ILE MG 1 50 ASN H . . 3.340 2.556 2.252 2.961 . 0 0 "[ . 1 . 2]" 1
927 1 48 ILE MG 1 50 ASN HA . . 4.570 3.559 3.225 3.951 . 0 0 "[ . 1 . 2]" 1
928 1 48 ILE MG 1 51 TYR HE1 . . 4.300 3.020 2.505 3.587 . 0 0 "[ . 1 . 2]" 1
929 1 48 ILE MG 1 90 ALA HA . . 4.570 3.170 2.551 3.502 . 0 0 "[ . 1 . 2]" 1
930 1 48 ILE MG 1 90 ALA MB . . 3.580 2.899 2.219 3.459 . 0 0 "[ . 1 . 2]" 1
931 1 48 ILE MG 1 91 TYR H . . 3.990 2.697 1.950 3.395 . 0 0 "[ . 1 . 2]" 1
932 1 48 ILE MG 1 91 TYR QB . . 5.340 3.885 3.030 4.316 . 0 0 "[ . 1 . 2]" 1
933 1 48 ILE MG 1 92 ASN QB . . 5.340 4.178 3.247 5.275 . 0 0 "[ . 1 . 2]" 1
934 1 49 GLN H 1 49 GLN HB2 . . 4.180 2.428 2.220 2.666 . 0 0 "[ . 1 . 2]" 1
935 1 49 GLN H 1 49 GLN QB . . 3.560 2.391 2.197 2.597 . 0 0 "[ . 1 . 2]" 1
936 1 49 GLN H 1 49 GLN HB3 . . 4.180 3.606 3.516 3.716 . 0 0 "[ . 1 . 2]" 1
937 1 49 GLN H 1 49 GLN QG . . 3.870 2.576 1.966 3.735 . 0 0 "[ . 1 . 2]" 1
938 1 49 GLN H 1 50 ASN H . . 3.050 2.537 1.970 2.938 . 0 0 "[ . 1 . 2]" 1
939 1 49 GLN H 1 92 ASN HA . . 3.630 2.570 2.025 2.950 . 0 0 "[ . 1 . 2]" 1
940 1 49 GLN HA 1 49 GLN QE . . 4.860 4.064 3.621 4.691 . 0 0 "[ . 1 . 2]" 1
941 1 49 GLN HA 1 49 GLN QG . . 3.490 2.691 2.180 3.088 . 0 0 "[ . 1 . 2]" 1
942 1 49 GLN QB 1 50 ASN H . . 3.480 2.351 2.154 2.638 . 0 0 "[ . 1 . 2]" 1
943 1 49 GLN QB 1 92 ASN HA . . 4.680 3.045 2.267 3.742 . 0 0 "[ . 1 . 2]" 1
944 1 49 GLN HB2 1 50 ASN H . . 4.100 2.407 2.182 2.712 . 0 0 "[ . 1 . 2]" 1
945 1 49 GLN HB3 1 50 ASN H . . 4.100 3.351 2.913 3.623 . 0 0 "[ . 1 . 2]" 1
946 1 49 GLN QE 1 93 LYS HA . . 4.920 3.484 2.143 4.810 . 0 0 "[ . 1 . 2]" 1
947 1 49 GLN QE 1 93 LYS QB . . 4.190 2.732 1.873 3.941 . 0 0 "[ . 1 . 2]" 1
948 1 49 GLN QE 1 93 LYS QE . . 5.070 4.238 2.882 5.052 . 0 0 "[ . 1 . 2]" 1
949 1 49 GLN QG 1 50 ASN H . . 4.820 4.016 3.727 4.489 . 0 0 "[ . 1 . 2]" 1
950 1 49 GLN QG 1 92 ASN HA . . 3.920 2.439 1.981 3.891 . 0 0 "[ . 1 . 2]" 1
951 1 49 GLN QG 1 92 ASN QB . . 5.340 3.682 3.112 4.583 . 0 0 "[ . 1 . 2]" 1
952 1 49 GLN QG 1 93 LYS H . . 5.150 2.605 2.208 3.436 . 0 0 "[ . 1 . 2]" 1
953 1 49 GLN QG 1 93 LYS HA . . 4.210 3.494 2.346 4.216 0.006 16 0 "[ . 1 . 2]" 1
954 1 49 GLN QG 1 93 LYS QG . . 4.680 4.358 3.777 4.649 . 0 0 "[ . 1 . 2]" 1
955 1 50 ASN H 1 91 TYR H . . 4.080 3.694 3.311 4.084 0.004 16 0 "[ . 1 . 2]" 1
956 1 50 ASN H 1 91 TYR HB2 . . 4.480 3.295 2.308 3.966 . 0 0 "[ . 1 . 2]" 1
957 1 50 ASN H 1 91 TYR QB . . 3.770 3.127 2.242 3.668 . 0 0 "[ . 1 . 2]" 1
958 1 50 ASN H 1 91 TYR HB3 . . 4.480 3.908 3.046 4.405 . 0 0 "[ . 1 . 2]" 1
959 1 50 ASN H 1 92 ASN HA . . 4.740 4.278 3.904 4.745 0.005 5 0 "[ . 1 . 2]" 1
960 1 50 ASN HA 1 51 TYR H . . 3.080 2.364 2.211 2.502 . 0 0 "[ . 1 . 2]" 1
961 1 50 ASN HA 1 69 SER HA . . 4.850 4.321 3.296 4.853 0.003 18 0 "[ . 1 . 2]" 1
962 1 50 ASN QB 1 51 TYR H . . 3.610 2.964 2.398 3.588 . 0 0 "[ . 1 . 2]" 1
963 1 50 ASN QB 1 91 TYR QB . . 3.940 3.555 2.920 3.956 0.016 14 0 "[ . 1 . 2]" 1
964 1 50 ASN HB2 1 51 TYR H . . 4.330 3.398 2.424 4.131 . 0 0 "[ . 1 . 2]" 1
965 1 50 ASN HB3 1 51 TYR H . . 4.330 3.656 2.576 4.120 . 0 0 "[ . 1 . 2]" 1
966 1 50 ASN QD 1 67 ASP HA . . 4.180 3.457 2.201 4.183 0.003 7 0 "[ . 1 . 2]" 1
967 1 51 TYR H 1 51 TYR HB2 . . 3.630 2.445 2.265 2.595 . 0 0 "[ . 1 . 2]" 1
968 1 51 TYR H 1 52 LYS H . . 4.800 4.375 4.193 4.493 . 0 0 "[ . 1 . 2]" 1
969 1 51 TYR H 1 68 VAL H . . 4.270 3.965 3.599 4.231 . 0 0 "[ . 1 . 2]" 1
970 1 51 TYR H 1 68 VAL HB . . 4.760 4.515 3.962 4.764 0.004 18 0 "[ . 1 . 2]" 1
971 1 51 TYR H 1 68 VAL MG1 . . 5.200 4.935 4.490 5.203 0.003 4 0 "[ . 1 . 2]" 1
972 1 51 TYR H 1 69 SER HA . . 4.220 3.847 2.671 4.224 0.004 7 0 "[ . 1 . 2]" 1
973 1 51 TYR HA 1 51 TYR HD1 . . 4.450 2.520 2.186 2.837 . 0 0 "[ . 1 . 2]" 1
974 1 51 TYR HA 1 52 LYS H . . 3.120 2.154 2.137 2.213 . 0 0 "[ . 1 . 2]" 1
975 1 51 TYR HA 1 52 LYS QB . . 5.180 4.026 3.950 4.078 . 0 0 "[ . 1 . 2]" 1
976 1 51 TYR HA 1 88 VAL MG1 . . 4.960 4.017 3.632 4.340 . 0 0 "[ . 1 . 2]" 1
977 1 51 TYR HA 1 90 ALA HA . . 3.860 3.411 3.027 3.658 . 0 0 "[ . 1 . 2]" 1
978 1 51 TYR HA 1 90 ALA MB . . 5.240 4.769 4.364 5.069 . 0 0 "[ . 1 . 2]" 1
979 1 51 TYR HA 1 91 TYR QD . . 4.970 3.848 3.406 4.373 . 0 0 "[ . 1 . 2]" 1
980 1 51 TYR HB2 1 52 LYS H . . 4.690 4.319 4.116 4.474 . 0 0 "[ . 1 . 2]" 1
981 1 51 TYR HB2 1 68 VAL H . . 4.630 4.349 4.095 4.619 . 0 0 "[ . 1 . 2]" 1
982 1 51 TYR HB2 1 68 VAL HB . . 3.630 3.332 2.908 3.625 . 0 0 "[ . 1 . 2]" 1
983 1 51 TYR HB2 1 68 VAL MG1 . . 5.010 3.704 3.055 4.068 . 0 0 "[ . 1 . 2]" 1
984 1 51 TYR HB2 1 68 VAL MG2 . . 5.050 4.793 4.300 5.029 . 0 0 "[ . 1 . 2]" 1
985 1 51 TYR HB2 1 88 VAL MG1 . . 4.690 4.523 4.228 4.683 . 0 0 "[ . 1 . 2]" 1
986 1 51 TYR HB3 1 52 LYS H . . 3.960 3.352 2.986 3.587 . 0 0 "[ . 1 . 2]" 1
987 1 51 TYR HB3 1 68 VAL HB . . 4.350 3.838 3.454 4.191 . 0 0 "[ . 1 . 2]" 1
988 1 51 TYR HB3 1 88 VAL MG1 . . 3.600 3.072 2.778 3.281 . 0 0 "[ . 1 . 2]" 1
989 1 51 TYR HB3 1 88 VAL MG2 . . 4.710 4.480 4.128 4.711 0.001 10 0 "[ . 1 . 2]" 1
990 1 51 TYR HD1 1 52 LYS H . . 4.870 3.690 3.232 4.196 . 0 0 "[ . 1 . 2]" 1
991 1 51 TYR HD1 1 88 VAL MG1 . . 4.040 2.870 2.622 3.204 . 0 0 "[ . 1 . 2]" 1
992 1 51 TYR HD1 1 90 ALA HA . . 4.780 3.088 2.537 3.745 . 0 0 "[ . 1 . 2]" 1
993 1 51 TYR HD1 1 90 ALA MB . . 4.170 3.813 3.297 4.132 . 0 0 "[ . 1 . 2]" 1
994 1 51 TYR HE1 1 88 VAL MG1 . . 4.460 4.010 3.662 4.462 0.002 20 0 "[ . 1 . 2]" 1
995 1 51 TYR HE1 1 90 ALA MB . . 3.870 3.226 2.389 3.875 0.005 9 0 "[ . 1 . 2]" 1
996 1 52 LYS H 1 52 LYS HB2 . . 3.850 2.580 2.442 2.737 . 0 0 "[ . 1 . 2]" 1
997 1 52 LYS H 1 52 LYS HB3 . . 3.850 2.765 2.591 2.909 . 0 0 "[ . 1 . 2]" 1
998 1 52 LYS H 1 52 LYS HG2 . . 5.340 4.709 4.556 4.811 . 0 0 "[ . 1 . 2]" 1
999 1 52 LYS H 1 52 LYS QG . . 4.640 4.091 4.001 4.184 . 0 0 "[ . 1 . 2]" 1
1000 1 52 LYS H 1 52 LYS HG3 . . 5.340 4.493 4.379 4.599 . 0 0 "[ . 1 . 2]" 1
1001 1 52 LYS H 1 53 LEU H . . 5.120 4.401 4.224 4.549 . 0 0 "[ . 1 . 2]" 1
1002 1 52 LYS H 1 88 VAL MG1 . . 4.500 3.582 3.149 4.148 . 0 0 "[ . 1 . 2]" 1
1003 1 52 LYS H 1 89 VAL H . . 4.020 3.222 2.932 3.623 . 0 0 "[ . 1 . 2]" 1
1004 1 52 LYS H 1 89 VAL HB . . 4.590 3.765 3.466 4.221 . 0 0 "[ . 1 . 2]" 1
1005 1 52 LYS H 1 89 VAL MG1 . . 5.500 4.410 4.059 4.777 . 0 0 "[ . 1 . 2]" 1
1006 1 52 LYS H 1 89 VAL MG2 . . 5.500 4.953 4.559 5.310 . 0 0 "[ . 1 . 2]" 1
1007 1 52 LYS H 1 90 ALA HA . . 5.120 3.939 3.535 4.322 . 0 0 "[ . 1 . 2]" 1
1008 1 52 LYS H 1 91 TYR H . . 5.220 4.343 3.913 5.222 0.002 8 0 "[ . 1 . 2]" 1
1009 1 52 LYS H 1 91 TYR QD . . 5.040 2.936 2.474 3.221 . 0 0 "[ . 1 . 2]" 1
1010 1 52 LYS H 1 91 TYR QE . . 4.440 4.034 3.615 4.408 . 0 0 "[ . 1 . 2]" 1
1011 1 52 LYS HA 1 53 LEU H . . 2.970 2.157 2.141 2.217 . 0 0 "[ . 1 . 2]" 1
1012 1 52 LYS HA 1 53 LEU HB3 . . 4.950 4.388 4.282 4.512 . 0 0 "[ . 1 . 2]" 1
1013 1 52 LYS HA 1 67 ASP HA . . 3.730 3.610 3.303 3.734 0.004 9 0 "[ . 1 . 2]" 1
1014 1 52 LYS HA 1 68 VAL H . . 4.220 3.684 3.275 4.033 . 0 0 "[ . 1 . 2]" 1
1015 1 52 LYS HA 1 68 VAL MG2 . . 4.600 4.293 3.865 4.591 . 0 0 "[ . 1 . 2]" 1
1016 1 52 LYS QB 1 52 LYS QE . . 3.720 2.788 2.027 3.675 . 0 0 "[ . 1 . 2]" 1
1017 1 52 LYS QB 1 54 TYR QE . . 3.850 2.254 1.998 2.694 . 0 0 "[ . 1 . 2]" 1
1018 1 52 LYS QB 1 89 VAL H . . 4.460 3.116 2.691 3.500 . 0 0 "[ . 1 . 2]" 1
1019 1 52 LYS QB 1 89 VAL HB . . 3.700 2.197 1.983 2.476 . 0 0 "[ . 1 . 2]" 1
1020 1 52 LYS QB 1 91 TYR QE . . 3.030 2.033 1.876 2.268 . 0 0 "[ . 1 . 2]" 1
1021 1 52 LYS HB2 1 53 LEU H . . 4.530 4.414 4.137 4.540 0.010 9 0 "[ . 1 . 2]" 1
1022 1 52 LYS HB2 1 89 VAL HB . . 4.350 3.479 3.079 3.910 . 0 0 "[ . 1 . 2]" 1
1023 1 52 LYS HB2 1 91 TYR QE . . 3.460 2.347 1.997 2.674 . 0 0 "[ . 1 . 2]" 1
1024 1 52 LYS HB3 1 53 LEU H . . 4.530 4.052 3.903 4.337 . 0 0 "[ . 1 . 2]" 1
1025 1 52 LYS HB3 1 89 VAL HB . . 4.350 2.223 1.999 2.515 . 0 0 "[ . 1 . 2]" 1
1026 1 52 LYS HB3 1 91 TYR QE . . 3.460 2.289 2.000 2.717 . 0 0 "[ . 1 . 2]" 1
1027 1 52 LYS QD 1 65 ASP HB2 . . 4.030 2.597 2.044 3.356 . 0 0 "[ . 1 . 2]" 1
1028 1 52 LYS QD 1 65 ASP HB3 . . 4.260 3.880 3.166 4.272 0.012 9 0 "[ . 1 . 2]" 1
1029 1 52 LYS QD 1 89 VAL HB . . 5.340 4.633 3.668 5.331 . 0 0 "[ . 1 . 2]" 1
1030 1 52 LYS QD 1 91 TYR QE . . 4.130 3.164 2.022 4.131 0.001 1 0 "[ . 1 . 2]" 1
1031 1 52 LYS HD2 1 54 TYR QE . . 4.510 4.103 3.184 4.519 0.009 10 0 "[ . 1 . 2]" 1
1032 1 52 LYS HD2 1 91 TYR QE . . 4.900 3.645 2.031 4.795 . 0 0 "[ . 1 . 2]" 1
1033 1 52 LYS HD3 1 54 TYR QE . . 4.510 3.989 2.399 4.532 0.022 19 0 "[ . 1 . 2]" 1
1034 1 52 LYS HD3 1 91 TYR QE . . 4.900 3.801 2.381 4.643 . 0 0 "[ . 1 . 2]" 1
1035 1 52 LYS QE 1 54 TYR QE . . 5.080 4.059 2.264 5.007 . 0 0 "[ . 1 . 2]" 1
1036 1 52 LYS QE 1 91 TYR QE . . 4.580 3.606 2.471 4.584 0.004 10 0 "[ . 1 . 2]" 1
1037 1 52 LYS QG 1 53 LEU H . . 4.680 2.918 2.408 3.417 . 0 0 "[ . 1 . 2]" 1
1038 1 52 LYS QG 1 54 TYR QD . . 4.060 3.337 2.964 3.883 . 0 0 "[ . 1 . 2]" 1
1039 1 52 LYS QG 1 54 TYR QE . . 3.340 2.198 1.860 2.899 . 0 0 "[ . 1 . 2]" 1
1040 1 52 LYS QG 1 65 ASP HA . . 5.300 3.576 3.317 3.864 . 0 0 "[ . 1 . 2]" 1
1041 1 52 LYS QG 1 65 ASP HB2 . . 3.690 2.453 2.092 2.969 . 0 0 "[ . 1 . 2]" 1
1042 1 52 LYS QG 1 66 VAL H . . 4.310 3.491 3.190 3.939 . 0 0 "[ . 1 . 2]" 1
1043 1 52 LYS QG 1 89 VAL H . . 5.340 4.654 4.180 5.090 . 0 0 "[ . 1 . 2]" 1
1044 1 52 LYS QG 1 91 TYR QE . . 3.750 2.887 2.120 3.754 0.004 8 0 "[ . 1 . 2]" 1
1045 1 52 LYS HG2 1 65 ASP HB2 . . 4.290 2.893 2.140 3.663 . 0 0 "[ . 1 . 2]" 1
1046 1 52 LYS HG2 1 65 ASP HB3 . . 4.850 4.083 3.235 4.858 0.008 10 0 "[ . 1 . 2]" 1
1047 1 52 LYS HG2 1 89 VAL HB . . 5.500 3.929 3.432 4.609 . 0 0 "[ . 1 . 2]" 1
1048 1 52 LYS HG2 1 91 TYR QE . . 4.290 3.018 2.136 4.168 . 0 0 "[ . 1 . 2]" 1
1049 1 52 LYS HG3 1 65 ASP HB2 . . 4.290 2.790 2.372 3.276 . 0 0 "[ . 1 . 2]" 1
1050 1 52 LYS HG3 1 65 ASP HB3 . . 4.850 4.305 3.163 4.841 . 0 0 "[ . 1 . 2]" 1
1051 1 52 LYS HG3 1 89 VAL HB . . 5.500 4.708 3.992 5.448 . 0 0 "[ . 1 . 2]" 1
1052 1 52 LYS HG3 1 91 TYR QE . . 4.290 4.012 3.563 4.289 . 0 0 "[ . 1 . 2]" 1
1053 1 53 LEU H 1 53 LEU HB2 . . 3.720 3.168 2.982 3.374 . 0 0 "[ . 1 . 2]" 1
1054 1 53 LEU H 1 53 LEU HB3 . . 3.440 2.446 2.319 2.611 . 0 0 "[ . 1 . 2]" 1
1055 1 53 LEU H 1 53 LEU MD2 . . 4.470 4.334 4.142 4.456 . 0 0 "[ . 1 . 2]" 1
1056 1 53 LEU H 1 53 LEU HG . . 4.830 4.253 4.112 4.376 . 0 0 "[ . 1 . 2]" 1
1057 1 53 LEU H 1 66 VAL MG2 . . 4.470 2.883 2.502 3.218 . 0 0 "[ . 1 . 2]" 1
1058 1 53 LEU H 1 67 ASP HA . . 4.480 4.262 4.037 4.478 . 0 0 "[ . 1 . 2]" 1
1059 1 53 LEU H 1 68 VAL H . . 5.270 4.205 3.619 4.576 . 0 0 "[ . 1 . 2]" 1
1060 1 53 LEU HB2 1 53 LEU MD1 . . 2.860 2.293 2.194 2.393 . 0 0 "[ . 1 . 2]" 1
1061 1 53 LEU HB2 1 54 TYR H . . 4.420 4.153 4.000 4.324 . 0 0 "[ . 1 . 2]" 1
1062 1 53 LEU HB2 1 88 VAL MG2 . . 4.430 3.281 2.771 3.620 . 0 0 "[ . 1 . 2]" 1
1063 1 53 LEU HB3 1 53 LEU MD2 . . 3.210 2.270 2.169 2.371 . 0 0 "[ . 1 . 2]" 1
1064 1 53 LEU HB3 1 54 TYR H . . 4.570 4.352 4.187 4.491 . 0 0 "[ . 1 . 2]" 1
1065 1 53 LEU HB3 1 66 VAL MG2 . . 3.870 2.179 1.930 2.694 . 0 0 "[ . 1 . 2]" 1
1066 1 53 LEU HB3 1 68 VAL MG2 . . 3.730 2.331 1.973 2.746 . 0 0 "[ . 1 . 2]" 1
1067 1 53 LEU HB3 1 75 ILE MD . . 4.840 4.550 3.956 4.838 . 0 0 "[ . 1 . 2]" 1
1068 1 53 LEU MD1 1 54 TYR H . . 3.380 2.528 2.118 2.909 . 0 0 "[ . 1 . 2]" 1
1069 1 53 LEU MD1 1 54 TYR HA . . 5.110 4.368 4.214 4.589 . 0 0 "[ . 1 . 2]" 1
1070 1 53 LEU MD1 1 54 TYR HB2 . . 4.890 4.321 3.998 4.562 . 0 0 "[ . 1 . 2]" 1
1071 1 53 LEU MD1 1 55 TYR QB . . 4.710 3.788 3.495 3.998 . 0 0 "[ . 1 . 2]" 1
1072 1 53 LEU MD1 1 55 TYR QD . . 4.920 4.789 4.583 4.916 . 0 0 "[ . 1 . 2]" 1
1073 1 53 LEU MD1 1 73 TYR HB3 . . 4.660 4.285 3.905 4.636 . 0 0 "[ . 1 . 2]" 1
1074 1 53 LEU MD1 1 75 ILE MD . . 3.710 3.272 3.012 3.582 . 0 0 "[ . 1 . 2]" 1
1075 1 53 LEU MD1 1 86 PHE HA . . 4.220 3.648 3.370 3.946 . 0 0 "[ . 1 . 2]" 1
1076 1 53 LEU MD1 1 86 PHE HB2 . . 5.220 4.218 3.936 4.457 . 0 0 "[ . 1 . 2]" 1
1077 1 53 LEU MD1 1 86 PHE HB3 . . 3.340 2.734 2.513 2.970 . 0 0 "[ . 1 . 2]" 1
1078 1 53 LEU MD1 1 86 PHE QD . . 3.090 2.657 2.145 2.912 . 0 0 "[ . 1 . 2]" 1
1079 1 53 LEU MD1 1 86 PHE QE . . 4.650 4.297 3.903 4.580 . 0 0 "[ . 1 . 2]" 1
1080 1 53 LEU MD1 1 87 ARG H . . 3.620 2.952 2.605 3.310 . 0 0 "[ . 1 . 2]" 1
1081 1 53 LEU MD1 1 88 VAL HA . . 4.030 3.383 2.979 3.675 . 0 0 "[ . 1 . 2]" 1
1082 1 53 LEU MD1 1 88 VAL MG2 . . 2.830 2.328 1.908 2.502 . 0 0 "[ . 1 . 2]" 1
1083 1 53 LEU MD1 1 89 VAL H . . 5.500 5.026 4.644 5.284 . 0 0 "[ . 1 . 2]" 1
1084 1 53 LEU MD2 1 55 TYR QB . . 5.340 4.004 3.824 4.123 . 0 0 "[ . 1 . 2]" 1
1085 1 53 LEU MD2 1 66 VAL MG2 . . 3.440 2.421 2.017 2.761 . 0 0 "[ . 1 . 2]" 1
1086 1 53 LEU MD2 1 73 TYR H . . 5.100 4.040 3.718 4.541 . 0 0 "[ . 1 . 2]" 1
1087 1 53 LEU MD2 1 73 TYR HA . . 5.500 4.735 4.490 4.939 . 0 0 "[ . 1 . 2]" 1
1088 1 53 LEU MD2 1 73 TYR HB2 . . 3.930 3.215 2.901 3.513 . 0 0 "[ . 1 . 2]" 1
1089 1 53 LEU MD2 1 73 TYR HB3 . . 3.420 2.246 1.931 2.462 . 0 0 "[ . 1 . 2]" 1
1090 1 53 LEU MD2 1 73 TYR QD . . 3.220 2.405 2.138 2.773 . 0 0 "[ . 1 . 2]" 1
1091 1 53 LEU MD2 1 73 TYR QE . . 4.060 3.679 3.363 3.996 . 0 0 "[ . 1 . 2]" 1
1092 1 53 LEU MD2 1 74 THR H . . 5.500 4.881 4.338 5.238 . 0 0 "[ . 1 . 2]" 1
1093 1 53 LEU MD2 1 75 ILE MD . . 3.030 2.181 1.916 2.593 . 0 0 "[ . 1 . 2]" 1
1094 1 53 LEU MD2 1 86 PHE HB3 . . 5.190 4.631 4.205 4.954 . 0 0 "[ . 1 . 2]" 1
1095 1 53 LEU MD2 1 86 PHE QD . . 3.980 3.826 3.669 3.980 0.000 18 0 "[ . 1 . 2]" 1
1096 1 53 LEU MD2 1 88 VAL MG2 . . 4.340 4.007 3.698 4.339 . 0 0 "[ . 1 . 2]" 1
1097 1 53 LEU HG 1 54 TYR H . . 3.920 3.375 2.926 3.784 . 0 0 "[ . 1 . 2]" 1
1098 1 53 LEU HG 1 55 TYR QB . . 5.340 3.576 3.365 3.722 . 0 0 "[ . 1 . 2]" 1
1099 1 53 LEU HG 1 55 TYR QD . . 4.070 3.866 3.556 4.039 . 0 0 "[ . 1 . 2]" 1
1100 1 53 LEU HG 1 66 VAL MG1 . . 4.790 4.492 4.194 4.782 . 0 0 "[ . 1 . 2]" 1
1101 1 53 LEU HG 1 66 VAL MG2 . . 4.020 2.778 2.498 3.010 . 0 0 "[ . 1 . 2]" 1
1102 1 53 LEU HG 1 73 TYR QD . . 5.460 4.724 4.475 5.301 . 0 0 "[ . 1 . 2]" 1
1103 1 53 LEU HG 1 75 ILE MD . . 3.930 2.934 2.296 3.324 . 0 0 "[ . 1 . 2]" 1
1104 1 53 LEU HG 1 86 PHE HB3 . . 5.500 4.963 4.630 5.277 . 0 0 "[ . 1 . 2]" 1
1105 1 53 LEU HG 1 86 PHE QD . . 4.250 3.715 3.511 3.924 . 0 0 "[ . 1 . 2]" 1
1106 1 53 LEU HG 1 86 PHE QE . . 5.500 4.844 4.579 5.157 . 0 0 "[ . 1 . 2]" 1
1107 1 53 LEU HG 1 87 ARG H . . 5.440 4.813 4.590 5.072 . 0 0 "[ . 1 . 2]" 1
1108 1 53 LEU HG 1 88 VAL MG2 . . 4.950 4.762 4.329 4.947 . 0 0 "[ . 1 . 2]" 1
1109 1 54 TYR H 1 54 TYR HB2 . . 3.380 2.479 2.364 2.586 . 0 0 "[ . 1 . 2]" 1
1110 1 54 TYR H 1 54 TYR HB3 . . 4.140 3.665 3.609 3.722 . 0 0 "[ . 1 . 2]" 1
1111 1 54 TYR H 1 54 TYR QD . . 3.310 2.098 1.895 2.507 . 0 0 "[ . 1 . 2]" 1
1112 1 54 TYR H 1 54 TYR QE . . 4.860 4.417 4.095 4.827 . 0 0 "[ . 1 . 2]" 1
1113 1 54 TYR H 1 86 PHE HA . . 4.710 4.519 4.255 4.712 0.002 12 0 "[ . 1 . 2]" 1
1114 1 54 TYR H 1 87 ARG H . . 3.670 2.932 2.671 3.152 . 0 0 "[ . 1 . 2]" 1
1115 1 54 TYR H 1 87 ARG QG . . 4.570 3.008 2.478 3.319 . 0 0 "[ . 1 . 2]" 1
1116 1 54 TYR H 1 88 VAL HA . . 3.890 3.624 3.369 3.817 . 0 0 "[ . 1 . 2]" 1
1117 1 54 TYR H 1 88 VAL MG2 . . 4.420 4.178 3.627 4.435 0.015 10 0 "[ . 1 . 2]" 1
1118 1 54 TYR HA 1 54 TYR QD . . 3.690 3.147 3.073 3.206 . 0 0 "[ . 1 . 2]" 1
1119 1 54 TYR HA 1 54 TYR QE . . 4.870 4.712 4.597 4.791 . 0 0 "[ . 1 . 2]" 1
1120 1 54 TYR HA 1 55 TYR H . . 2.730 2.343 2.259 2.394 . 0 0 "[ . 1 . 2]" 1
1121 1 54 TYR HA 1 55 TYR QD . . 4.250 2.952 2.764 3.130 . 0 0 "[ . 1 . 2]" 1
1122 1 54 TYR HA 1 55 TYR QE . . 5.360 4.622 4.320 4.904 . 0 0 "[ . 1 . 2]" 1
1123 1 54 TYR HA 1 63 GLU QG . . 4.960 4.160 3.451 4.739 . 0 0 "[ . 1 . 2]" 1
1124 1 54 TYR HA 1 64 GLN H . . 5.050 4.160 3.895 4.365 . 0 0 "[ . 1 . 2]" 1
1125 1 54 TYR HA 1 65 ASP HA . . 3.390 2.510 2.246 2.800 . 0 0 "[ . 1 . 2]" 1
1126 1 54 TYR HA 1 65 ASP HB2 . . 4.730 4.559 4.323 4.731 0.001 10 0 "[ . 1 . 2]" 1
1127 1 54 TYR HA 1 65 ASP HB3 . . 4.870 4.493 3.991 4.869 . 0 0 "[ . 1 . 2]" 1
1128 1 54 TYR HA 1 66 VAL H . . 4.290 3.601 3.417 3.882 . 0 0 "[ . 1 . 2]" 1
1129 1 54 TYR HB2 1 55 TYR H . . 4.630 3.756 3.581 3.875 . 0 0 "[ . 1 . 2]" 1
1130 1 54 TYR HB2 1 63 GLU QG . . 4.720 3.554 3.099 3.987 . 0 0 "[ . 1 . 2]" 1
1131 1 54 TYR HB2 1 87 ARG H . . 3.730 2.953 2.555 3.397 . 0 0 "[ . 1 . 2]" 1
1132 1 54 TYR HB2 1 87 ARG HG2 . . 3.900 2.115 1.997 3.053 . 0 0 "[ . 1 . 2]" 1
1133 1 54 TYR HB2 1 87 ARG HG3 . . 3.900 2.098 1.977 2.496 . 0 0 "[ . 1 . 2]" 1
1134 1 54 TYR HB3 1 55 TYR H . . 3.730 2.578 2.447 2.812 . 0 0 "[ . 1 . 2]" 1
1135 1 54 TYR HB3 1 63 GLU QB . . 4.470 3.423 2.491 4.341 . 0 0 "[ . 1 . 2]" 1
1136 1 54 TYR HB3 1 63 GLU HG2 . . 4.390 2.904 1.996 3.817 . 0 0 "[ . 1 . 2]" 1
1137 1 54 TYR HB3 1 63 GLU QG . . 3.810 2.321 1.917 2.913 . 0 0 "[ . 1 . 2]" 1
1138 1 54 TYR HB3 1 63 GLU HG3 . . 4.390 2.694 1.995 3.488 . 0 0 "[ . 1 . 2]" 1
1139 1 54 TYR HB3 1 87 ARG HE . . 4.430 3.920 2.720 4.454 0.024 7 0 "[ . 1 . 2]" 1
1140 1 54 TYR HB3 1 87 ARG HG2 . . 4.360 3.322 2.918 4.371 0.011 10 0 "[ . 1 . 2]" 1
1141 1 54 TYR HB3 1 87 ARG QG . . 3.650 3.076 2.790 3.500 . 0 0 "[ . 1 . 2]" 1
1142 1 54 TYR HB3 1 87 ARG HG3 . . 4.360 3.712 3.454 4.081 . 0 0 "[ . 1 . 2]" 1
1143 1 54 TYR QD 1 55 TYR H . . 4.410 4.039 3.756 4.292 . 0 0 "[ . 1 . 2]" 1
1144 1 54 TYR QD 1 63 GLU HB2 . . 4.520 3.895 3.078 4.539 0.019 17 0 "[ . 1 . 2]" 1
1145 1 54 TYR QD 1 63 GLU QB . . 3.890 3.150 2.835 3.834 . 0 0 "[ . 1 . 2]" 1
1146 1 54 TYR QD 1 63 GLU HB3 . . 4.520 3.695 2.890 4.589 0.069 10 0 "[ . 1 . 2]" 1
1147 1 54 TYR QD 1 63 GLU HG2 . . 3.880 2.155 1.987 2.843 . 0 0 "[ . 1 . 2]" 1
1148 1 54 TYR QD 1 63 GLU QG . . 3.300 1.955 1.779 2.122 . 0 0 "[ . 1 . 2]" 1
1149 1 54 TYR QD 1 63 GLU HG3 . . 3.880 2.682 1.961 3.707 . 0 0 "[ . 1 . 2]" 1
1150 1 54 TYR QD 1 65 ASP HA . . 4.700 3.745 3.608 3.990 . 0 0 "[ . 1 . 2]" 1
1151 1 54 TYR QD 1 65 ASP HB2 . . 4.460 4.292 4.048 4.477 0.017 10 0 "[ . 1 . 2]" 1
1152 1 54 TYR QD 1 65 ASP HB3 . . 4.050 3.705 3.415 4.052 0.002 15 0 "[ . 1 . 2]" 1
1153 1 54 TYR QD 1 87 ARG H . . 4.790 4.330 4.053 4.516 . 0 0 "[ . 1 . 2]" 1
1154 1 54 TYR QD 1 87 ARG HG2 . . 4.240 3.891 3.529 4.253 0.013 7 0 "[ . 1 . 2]" 1
1155 1 54 TYR QD 1 87 ARG QG . . 3.680 2.769 2.395 3.115 . 0 0 "[ . 1 . 2]" 1
1156 1 54 TYR QD 1 87 ARG HG3 . . 4.240 2.840 2.437 3.204 . 0 0 "[ . 1 . 2]" 1
1157 1 54 TYR QD 1 88 VAL HA . . 4.650 3.750 3.406 4.045 . 0 0 "[ . 1 . 2]" 1
1158 1 54 TYR QD 1 89 VAL H . . 4.710 4.106 3.831 4.433 . 0 0 "[ . 1 . 2]" 1
1159 1 54 TYR QD 1 89 VAL MG2 . . 3.660 3.230 2.864 3.651 . 0 0 "[ . 1 . 2]" 1
1160 1 54 TYR QE 1 63 GLU QG . . 4.860 3.703 3.147 4.245 . 0 0 "[ . 1 . 2]" 1
1161 1 54 TYR QE 1 65 ASP HB2 . . 4.700 3.728 3.482 4.013 . 0 0 "[ . 1 . 2]" 1
1162 1 54 TYR QE 1 65 ASP HB3 . . 3.660 3.154 2.922 3.672 0.012 10 0 "[ . 1 . 2]" 1
1163 1 54 TYR QE 1 87 ARG QH1 . . 5.460 5.132 4.332 5.464 0.004 18 0 "[ . 1 . 2]" 1
1164 1 54 TYR QE 1 89 VAL H . . 4.630 3.970 3.335 4.541 . 0 0 "[ . 1 . 2]" 1
1165 1 54 TYR QE 1 89 VAL HB . . 3.670 2.721 2.333 3.475 . 0 0 "[ . 1 . 2]" 1
1166 1 54 TYR QE 1 89 VAL MG1 . . 4.820 3.884 3.613 4.284 . 0 0 "[ . 1 . 2]" 1
1167 1 54 TYR QE 1 89 VAL MG2 . . 3.190 2.495 1.999 2.797 . 0 0 "[ . 1 . 2]" 1
1168 1 55 TYR H 1 55 TYR QD . . 3.420 2.564 2.393 2.811 . 0 0 "[ . 1 . 2]" 1
1169 1 55 TYR H 1 55 TYR QE . . 4.530 4.309 4.151 4.413 . 0 0 "[ . 1 . 2]" 1
1170 1 55 TYR H 1 56 MET H . . 4.680 4.164 4.085 4.240 . 0 0 "[ . 1 . 2]" 1
1171 1 55 TYR H 1 63 GLU HA . . 4.540 4.314 4.093 4.549 0.009 8 0 "[ . 1 . 2]" 1
1172 1 55 TYR H 1 63 GLU QB . . 5.340 4.183 2.738 5.313 . 0 0 "[ . 1 . 2]" 1
1173 1 55 TYR H 1 63 GLU HG2 . . 4.880 4.302 2.910 4.890 0.010 3 0 "[ . 1 . 2]" 1
1174 1 55 TYR H 1 63 GLU QG . . 4.270 3.567 2.569 4.272 0.002 13 0 "[ . 1 . 2]" 1
1175 1 55 TYR H 1 63 GLU HG3 . . 4.880 3.955 2.838 4.742 . 0 0 "[ . 1 . 2]" 1
1176 1 55 TYR H 1 64 GLN H . . 3.580 2.615 2.456 2.769 . 0 0 "[ . 1 . 2]" 1
1177 1 55 TYR H 1 64 GLN QB . . 4.170 3.276 2.663 3.809 . 0 0 "[ . 1 . 2]" 1
1178 1 55 TYR H 1 65 ASP HA . . 4.450 4.216 3.994 4.447 . 0 0 "[ . 1 . 2]" 1
1179 1 55 TYR HA 1 55 TYR QD . . 4.190 3.723 3.704 3.736 . 0 0 "[ . 1 . 2]" 1
1180 1 55 TYR HA 1 56 MET H . . 2.710 2.173 2.147 2.220 . 0 0 "[ . 1 . 2]" 1
1181 1 55 TYR HA 1 56 MET QG . . 5.110 4.462 4.419 4.552 . 0 0 "[ . 1 . 2]" 1
1182 1 55 TYR HA 1 86 PHE HA . . 3.400 2.869 2.732 3.090 . 0 0 "[ . 1 . 2]" 1
1183 1 55 TYR HA 1 86 PHE QD . . 4.300 2.960 2.839 3.149 . 0 0 "[ . 1 . 2]" 1
1184 1 55 TYR HA 1 86 PHE QE . . 4.700 3.601 3.468 3.818 . 0 0 "[ . 1 . 2]" 1
1185 1 55 TYR HA 1 87 ARG H . . 4.560 4.359 4.141 4.538 . 0 0 "[ . 1 . 2]" 1
1186 1 55 TYR QB 1 56 MET H . . 3.600 3.091 2.906 3.252 . 0 0 "[ . 1 . 2]" 1
1187 1 55 TYR QB 1 75 ILE MD . . 3.900 2.120 1.879 2.424 . 0 0 "[ . 1 . 2]" 1
1188 1 55 TYR QB 1 86 PHE HA . . 4.600 3.925 3.800 4.157 . 0 0 "[ . 1 . 2]" 1
1189 1 55 TYR QB 1 86 PHE QD . . 3.920 2.402 2.233 2.674 . 0 0 "[ . 1 . 2]" 1
1190 1 55 TYR QB 1 86 PHE QE . . 3.470 1.908 1.811 2.069 . 0 0 "[ . 1 . 2]" 1
1191 1 55 TYR HB2 1 56 MET H . . 4.350 3.178 2.970 3.359 . 0 0 "[ . 1 . 2]" 1
1192 1 55 TYR HB2 1 75 ILE MD . . 4.540 2.717 2.256 3.123 . 0 0 "[ . 1 . 2]" 1
1193 1 55 TYR HB2 1 86 PHE QE . . 3.990 2.054 1.996 2.383 . 0 0 "[ . 1 . 2]" 1
1194 1 55 TYR HB3 1 56 MET H . . 4.350 4.226 4.126 4.338 . 0 0 "[ . 1 . 2]" 1
1195 1 55 TYR HB3 1 75 ILE MD . . 4.540 2.216 1.953 2.525 . 0 0 "[ . 1 . 2]" 1
1196 1 55 TYR HB3 1 86 PHE QE . . 3.990 2.293 2.073 2.592 . 0 0 "[ . 1 . 2]" 1
1197 1 55 TYR QD 1 56 MET H . . 4.260 4.163 3.963 4.279 0.019 7 0 "[ . 1 . 2]" 1
1198 1 55 TYR QD 1 64 GLN H . . 4.880 4.281 4.008 4.601 . 0 0 "[ . 1 . 2]" 1
1199 1 55 TYR QD 1 64 GLN QB . . 3.780 3.248 2.878 3.549 . 0 0 "[ . 1 . 2]" 1
1200 1 55 TYR QD 1 65 ASP HA . . 4.370 4.019 3.771 4.223 . 0 0 "[ . 1 . 2]" 1
1201 1 55 TYR QD 1 66 VAL H . . 4.690 4.257 4.115 4.402 . 0 0 "[ . 1 . 2]" 1
1202 1 55 TYR QD 1 66 VAL HB . . 5.500 5.465 5.191 5.512 0.012 10 0 "[ . 1 . 2]" 1
1203 1 55 TYR QD 1 66 VAL MG1 . . 4.400 2.871 2.522 3.186 . 0 0 "[ . 1 . 2]" 1
1204 1 55 TYR QD 1 66 VAL MG2 . . 4.860 3.102 2.765 3.653 . 0 0 "[ . 1 . 2]" 1
1205 1 55 TYR QD 1 75 ILE MD . . 3.540 2.970 2.626 3.302 . 0 0 "[ . 1 . 2]" 1
1206 1 55 TYR QD 1 75 ILE MG . . 4.030 3.011 2.642 3.430 . 0 0 "[ . 1 . 2]" 1
1207 1 55 TYR QD 1 78 LEU MD2 . . 3.910 2.991 2.637 3.348 . 0 0 "[ . 1 . 2]" 1
1208 1 55 TYR QD 1 86 PHE QD . . 4.740 4.470 4.317 4.745 0.005 7 0 "[ . 1 . 2]" 1
1209 1 55 TYR QD 1 86 PHE QE . . 3.750 3.601 3.429 3.740 . 0 0 "[ . 1 . 2]" 1
1210 1 55 TYR QE 1 64 GLN HA . . 5.170 5.113 4.957 5.175 0.005 15 0 "[ . 1 . 2]" 1
1211 1 55 TYR QE 1 64 GLN HB2 . . 4.160 2.965 2.575 3.316 . 0 0 "[ . 1 . 2]" 1
1212 1 55 TYR QE 1 64 GLN QB . . 3.500 2.579 2.418 2.698 . 0 0 "[ . 1 . 2]" 1
1213 1 55 TYR QE 1 64 GLN HB3 . . 4.160 2.913 2.543 3.288 . 0 0 "[ . 1 . 2]" 1
1214 1 55 TYR QE 1 64 GLN QE . . 4.850 3.741 2.449 4.845 . 0 0 "[ . 1 . 2]" 1
1215 1 55 TYR QE 1 64 GLN QG . . 4.390 4.117 3.476 4.394 0.004 8 0 "[ . 1 . 2]" 1
1216 1 55 TYR QE 1 65 ASP H . . 4.760 3.820 3.594 4.315 . 0 0 "[ . 1 . 2]" 1
1217 1 55 TYR QE 1 65 ASP HA . . 4.540 4.375 4.152 4.525 . 0 0 "[ . 1 . 2]" 1
1218 1 55 TYR QE 1 66 VAL H . . 4.580 4.417 4.035 4.586 0.006 7 0 "[ . 1 . 2]" 1
1219 1 55 TYR QE 1 66 VAL HA . . 5.300 4.629 4.389 4.798 . 0 0 "[ . 1 . 2]" 1
1220 1 55 TYR QE 1 66 VAL HB . . 4.960 4.658 4.493 4.913 . 0 0 "[ . 1 . 2]" 1
1221 1 55 TYR QE 1 66 VAL MG1 . . 3.410 1.906 1.831 1.993 . 0 0 "[ . 1 . 2]" 1
1222 1 55 TYR QE 1 66 VAL MG2 . . 3.880 3.493 2.995 3.863 . 0 0 "[ . 1 . 2]" 1
1223 1 55 TYR QE 1 75 ILE MD . . 4.390 4.048 3.642 4.393 0.003 4 0 "[ . 1 . 2]" 1
1224 1 55 TYR QE 1 75 ILE MG . . 3.780 3.314 2.910 3.697 . 0 0 "[ . 1 . 2]" 1
1225 1 55 TYR QE 1 78 LEU MD2 . . 3.540 3.245 2.787 3.537 . 0 0 "[ . 1 . 2]" 1
1226 1 56 MET H 1 56 MET HB2 . . 3.960 3.996 3.964 4.015 0.055 10 0 "[ . 1 . 2]" 1
1227 1 56 MET H 1 56 MET HB3 . . 3.680 3.109 3.059 3.146 . 0 0 "[ . 1 . 2]" 1
1228 1 56 MET H 1 56 MET ME . . 5.500 5.288 5.175 5.366 . 0 0 "[ . 1 . 2]" 1
1229 1 56 MET H 1 56 MET QG . . 3.190 2.819 2.739 2.887 . 0 0 "[ . 1 . 2]" 1
1230 1 56 MET H 1 57 GLU H . . 4.800 4.375 4.349 4.396 . 0 0 "[ . 1 . 2]" 1
1231 1 56 MET H 1 84 TYR HA . . 4.330 4.276 4.179 4.335 0.005 11 0 "[ . 1 . 2]" 1
1232 1 56 MET H 1 84 TYR HB2 . . 5.500 5.340 5.050 5.512 0.012 16 0 "[ . 1 . 2]" 1
1233 1 56 MET H 1 84 TYR HB3 . . 4.330 3.634 3.408 3.802 . 0 0 "[ . 1 . 2]" 1
1234 1 56 MET H 1 84 TYR QD . . 4.600 3.591 3.173 4.091 . 0 0 "[ . 1 . 2]" 1
1235 1 56 MET H 1 85 SER H . . 3.280 3.038 2.904 3.171 . 0 0 "[ . 1 . 2]" 1
1236 1 56 MET H 1 85 SER HB2 . . 4.660 4.480 4.347 4.661 0.001 9 0 "[ . 1 . 2]" 1
1237 1 56 MET H 1 85 SER HB3 . . 4.460 3.453 3.268 3.760 . 0 0 "[ . 1 . 2]" 1
1238 1 56 MET H 1 86 PHE HA . . 4.340 4.286 4.143 4.350 0.010 7 0 "[ . 1 . 2]" 1
1239 1 56 MET HB2 1 57 GLU H . . 3.900 2.709 2.683 2.823 . 0 0 "[ . 1 . 2]" 1
1240 1 56 MET HB2 1 60 THR HB . . 4.570 3.555 3.346 3.835 . 0 0 "[ . 1 . 2]" 1
1241 1 56 MET HB2 1 63 GLU HA . . 3.710 2.649 2.404 2.856 . 0 0 "[ . 1 . 2]" 1
1242 1 56 MET HB3 1 62 LYS H . . 5.100 4.798 4.552 5.080 . 0 0 "[ . 1 . 2]" 1
1243 1 56 MET HB3 1 63 GLU HA . . 3.580 2.006 1.982 2.043 . 0 0 "[ . 1 . 2]" 1
1244 1 56 MET HB3 1 85 SER H . . 5.500 5.050 4.849 5.221 . 0 0 "[ . 1 . 2]" 1
1245 1 56 MET HB3 1 85 SER HB2 . . 5.500 5.453 5.243 5.514 0.014 7 0 "[ . 1 . 2]" 1
1246 1 56 MET HB3 1 85 SER HB3 . . 4.590 4.310 3.971 4.584 . 0 0 "[ . 1 . 2]" 1
1247 1 56 MET ME 1 56 MET HG2 . . 3.530 2.892 2.780 3.010 . 0 0 "[ . 1 . 2]" 1
1248 1 56 MET ME 1 56 MET HG3 . . 3.530 2.056 1.996 2.153 . 0 0 "[ . 1 . 2]" 1
1249 1 56 MET ME 1 57 GLU H . . 4.720 4.542 4.285 4.730 0.010 3 0 "[ . 1 . 2]" 1
1250 1 56 MET ME 1 57 GLU HA . . 5.500 5.313 5.102 5.461 . 0 0 "[ . 1 . 2]" 1
1251 1 56 MET ME 1 58 LYS H . . 5.500 5.001 4.253 5.270 . 0 0 "[ . 1 . 2]" 1
1252 1 56 MET ME 1 58 LYS HA . . 3.930 3.351 2.727 3.603 . 0 0 "[ . 1 . 2]" 1
1253 1 56 MET ME 1 58 LYS HG3 . . 5.500 4.888 4.352 5.159 . 0 0 "[ . 1 . 2]" 1
1254 1 56 MET ME 1 59 GLY QA . . 5.340 4.450 4.201 4.735 . 0 0 "[ . 1 . 2]" 1
1255 1 56 MET ME 1 60 THR H . . 3.710 3.151 2.662 3.725 0.015 9 0 "[ . 1 . 2]" 1
1256 1 56 MET ME 1 60 THR HG1 . . 4.540 3.987 3.695 4.488 . 0 0 "[ . 1 . 2]" 1
1257 1 56 MET ME 1 61 ASP H . . 4.540 2.459 1.937 2.956 . 0 0 "[ . 1 . 2]" 1
1258 1 56 MET ME 1 61 ASP HA . . 3.520 2.489 2.068 3.002 . 0 0 "[ . 1 . 2]" 1
1259 1 56 MET ME 1 61 ASP HB2 . . 5.500 4.722 4.112 5.407 . 0 0 "[ . 1 . 2]" 1
1260 1 56 MET ME 1 61 ASP QB . . 4.750 4.219 3.878 4.743 . 0 0 "[ . 1 . 2]" 1
1261 1 56 MET ME 1 61 ASP HB3 . . 5.500 4.804 4.294 5.290 . 0 0 "[ . 1 . 2]" 1
1262 1 56 MET ME 1 62 LYS H . . 3.870 2.953 2.493 3.730 . 0 0 "[ . 1 . 2]" 1
1263 1 56 MET ME 1 63 GLU H . . 4.770 4.466 3.928 4.771 0.001 13 0 "[ . 1 . 2]" 1
1264 1 56 MET ME 1 85 SER HB2 . . 4.560 3.781 3.015 4.007 . 0 0 "[ . 1 . 2]" 1
1265 1 56 MET ME 1 85 SER HB3 . . 4.320 3.916 3.243 4.117 . 0 0 "[ . 1 . 2]" 1
1266 1 56 MET QG 1 57 GLU H . . 3.820 2.924 2.835 3.102 . 0 0 "[ . 1 . 2]" 1
1267 1 56 MET QG 1 60 THR H . . 4.550 4.001 3.660 4.149 . 0 0 "[ . 1 . 2]" 1
1268 1 56 MET QG 1 62 LYS H . . 4.010 3.928 3.674 4.021 0.011 8 0 "[ . 1 . 2]" 1
1269 1 56 MET QG 1 85 SER H . . 4.150 2.896 2.646 3.117 . 0 0 "[ . 1 . 2]" 1
1270 1 56 MET QG 1 85 SER HB3 . . 3.830 2.389 2.120 2.610 . 0 0 "[ . 1 . 2]" 1
1271 1 56 MET HG2 1 57 GLU H . . 4.460 3.926 3.740 4.073 . 0 0 "[ . 1 . 2]" 1
1272 1 56 MET HG2 1 58 LYS HA . . 4.790 4.580 3.970 4.790 0.000 4 0 "[ . 1 . 2]" 1
1273 1 56 MET HG2 1 60 THR HG1 . . 5.000 4.926 4.782 5.010 0.010 3 0 "[ . 1 . 2]" 1
1274 1 56 MET HG2 1 63 GLU HA . . 4.620 4.377 3.977 4.586 . 0 0 "[ . 1 . 2]" 1
1275 1 56 MET HG2 1 85 SER H . . 4.900 2.969 2.691 3.206 . 0 0 "[ . 1 . 2]" 1
1276 1 56 MET HG2 1 85 SER HB2 . . 4.840 3.006 2.817 3.071 . 0 0 "[ . 1 . 2]" 1
1277 1 56 MET HG2 1 85 SER HB3 . . 4.360 2.407 2.130 2.635 . 0 0 "[ . 1 . 2]" 1
1278 1 56 MET HG3 1 57 GLU H . . 4.460 3.018 2.906 3.217 . 0 0 "[ . 1 . 2]" 1
1279 1 56 MET HG3 1 58 LYS HA . . 4.790 3.959 3.546 4.136 . 0 0 "[ . 1 . 2]" 1
1280 1 56 MET HG3 1 60 THR HG1 . . 5.000 3.345 3.162 3.557 . 0 0 "[ . 1 . 2]" 1
1281 1 56 MET HG3 1 63 GLU HA . . 4.620 4.400 4.121 4.598 . 0 0 "[ . 1 . 2]" 1
1282 1 56 MET HG3 1 85 SER H . . 4.900 4.044 3.773 4.248 . 0 0 "[ . 1 . 2]" 1
1283 1 56 MET HG3 1 85 SER HB2 . . 4.840 4.133 3.923 4.269 . 0 0 "[ . 1 . 2]" 1
1284 1 56 MET HG3 1 85 SER HB3 . . 4.360 4.026 3.734 4.244 . 0 0 "[ . 1 . 2]" 1
1285 1 57 GLU H 1 57 GLU QB . . 2.830 2.284 2.181 2.326 . 0 0 "[ . 1 . 2]" 1
1286 1 57 GLU H 1 57 GLU HG2 . . 4.840 4.362 3.994 4.575 . 0 0 "[ . 1 . 2]" 1
1287 1 57 GLU H 1 57 GLU HG3 . . 4.840 4.390 2.766 4.696 . 0 0 "[ . 1 . 2]" 1
1288 1 57 GLU H 1 58 LYS H . . 4.760 4.496 4.204 4.593 . 0 0 "[ . 1 . 2]" 1
1289 1 57 GLU H 1 60 THR HG1 . . 4.360 2.401 1.979 2.704 . 0 0 "[ . 1 . 2]" 1
1290 1 57 GLU H 1 60 THR MG . . 4.450 3.897 3.744 4.209 . 0 0 "[ . 1 . 2]" 1
1291 1 57 GLU H 1 63 GLU HA . . 5.500 5.215 4.735 5.518 0.018 3 0 "[ . 1 . 2]" 1
1292 1 57 GLU H 1 84 TYR QE . . 4.430 3.792 3.263 4.401 . 0 0 "[ . 1 . 2]" 1
1293 1 57 GLU HA 1 57 GLU HG2 . . 3.930 2.936 2.376 3.534 . 0 0 "[ . 1 . 2]" 1
1294 1 57 GLU HA 1 57 GLU QG . . 3.200 2.460 2.257 2.625 . 0 0 "[ . 1 . 2]" 1
1295 1 57 GLU HA 1 57 GLU HG3 . . 3.930 2.701 2.372 2.942 . 0 0 "[ . 1 . 2]" 1
1296 1 57 GLU HA 1 58 LYS H . . 2.780 2.173 2.147 2.232 . 0 0 "[ . 1 . 2]" 1
1297 1 57 GLU HA 1 58 LYS HA . . 4.870 4.352 4.322 4.466 . 0 0 "[ . 1 . 2]" 1
1298 1 57 GLU HA 1 58 LYS QB . . 4.650 4.052 4.026 4.061 . 0 0 "[ . 1 . 2]" 1
1299 1 57 GLU HA 1 82 THR MG . . 4.030 3.808 3.508 4.005 . 0 0 "[ . 1 . 2]" 1
1300 1 57 GLU HA 1 84 TYR HA . . 3.390 2.416 2.141 2.677 . 0 0 "[ . 1 . 2]" 1
1301 1 57 GLU HA 1 84 TYR HB3 . . 5.030 4.086 3.737 4.371 . 0 0 "[ . 1 . 2]" 1
1302 1 57 GLU HA 1 84 TYR QD . . 4.230 2.533 2.181 3.235 . 0 0 "[ . 1 . 2]" 1
1303 1 57 GLU HA 1 84 TYR QE . . 4.250 3.361 3.035 3.823 . 0 0 "[ . 1 . 2]" 1
1304 1 57 GLU HA 1 85 SER H . . 4.130 3.587 3.436 3.797 . 0 0 "[ . 1 . 2]" 1
1305 1 57 GLU QB 1 58 LYS H . . 3.940 3.644 2.857 3.945 0.005 3 0 "[ . 1 . 2]" 1
1306 1 57 GLU QB 1 60 THR HG1 . . 4.570 2.078 1.970 2.203 . 0 0 "[ . 1 . 2]" 1
1307 1 57 GLU QB 1 60 THR MG . . 3.500 3.313 2.944 3.529 0.029 3 0 "[ . 1 . 2]" 1
1308 1 57 GLU QB 1 82 THR MG . . 3.820 3.511 3.266 3.747 . 0 0 "[ . 1 . 2]" 1
1309 1 57 GLU QB 1 84 TYR QE . . 4.140 2.297 1.992 4.018 . 0 0 "[ . 1 . 2]" 1
1310 1 57 GLU QG 1 58 LYS H . . 3.960 2.769 2.365 3.722 . 0 0 "[ . 1 . 2]" 1
1311 1 57 GLU QG 1 82 THR MG . . 2.900 2.125 1.826 2.595 . 0 0 "[ . 1 . 2]" 1
1312 1 57 GLU QG 1 84 TYR QE . . 4.400 3.143 1.965 4.081 . 0 0 "[ . 1 . 2]" 1
1313 1 57 GLU HG2 1 58 LYS H . . 4.730 3.030 2.396 3.902 . 0 0 "[ . 1 . 2]" 1
1314 1 57 GLU HG3 1 58 LYS H . . 4.730 3.469 2.530 4.735 0.005 16 0 "[ . 1 . 2]" 1
1315 1 58 LYS H 1 58 LYS HB2 . . 3.250 2.195 2.173 2.258 . 0 0 "[ . 1 . 2]" 1
1316 1 58 LYS H 1 58 LYS QB . . 2.830 2.136 2.120 2.195 . 0 0 "[ . 1 . 2]" 1
1317 1 58 LYS H 1 58 LYS HB3 . . 3.250 2.934 2.871 3.076 . 0 0 "[ . 1 . 2]" 1
1318 1 58 LYS H 1 58 LYS QD . . 4.740 3.701 3.528 3.957 . 0 0 "[ . 1 . 2]" 1
1319 1 58 LYS H 1 58 LYS HG2 . . 4.840 4.621 4.574 4.687 . 0 0 "[ . 1 . 2]" 1
1320 1 58 LYS H 1 58 LYS HG3 . . 4.520 4.427 4.382 4.478 . 0 0 "[ . 1 . 2]" 1
1321 1 58 LYS H 1 59 GLY H . . 5.050 4.277 4.186 4.368 . 0 0 "[ . 1 . 2]" 1
1322 1 58 LYS H 1 82 THR MG . . 4.140 3.935 3.591 4.143 0.003 15 0 "[ . 1 . 2]" 1
1323 1 58 LYS H 1 83 GLU HB3 . . 4.160 3.387 3.121 3.789 . 0 0 "[ . 1 . 2]" 1
1324 1 58 LYS H 1 84 TYR H . . 5.500 4.532 4.265 4.854 . 0 0 "[ . 1 . 2]" 1
1325 1 58 LYS H 1 84 TYR HA . . 3.240 2.703 2.236 3.042 . 0 0 "[ . 1 . 2]" 1
1326 1 58 LYS H 1 85 SER H . . 4.110 3.705 2.953 4.113 0.003 8 0 "[ . 1 . 2]" 1
1327 1 58 LYS HA 1 58 LYS QD . . 4.230 2.489 2.105 3.206 . 0 0 "[ . 1 . 2]" 1
1328 1 58 LYS HA 1 58 LYS HG2 . . 3.760 3.642 3.612 3.687 . 0 0 "[ . 1 . 2]" 1
1329 1 58 LYS HA 1 58 LYS HG3 . . 3.970 2.473 2.371 2.607 . 0 0 "[ . 1 . 2]" 1
1330 1 58 LYS HA 1 59 GLY QA . . 5.120 3.891 3.889 3.895 . 0 0 "[ . 1 . 2]" 1
1331 1 58 LYS HA 1 60 THR H . . 4.110 4.032 3.621 4.117 0.007 16 0 "[ . 1 . 2]" 1
1332 1 58 LYS QB 1 58 LYS QE . . 4.180 3.432 2.247 3.774 . 0 0 "[ . 1 . 2]" 1
1333 1 58 LYS QB 1 83 GLU H . . 5.000 4.107 3.854 4.462 . 0 0 "[ . 1 . 2]" 1
1334 1 58 LYS QB 1 83 GLU HB2 . . 4.010 3.523 3.295 3.921 . 0 0 "[ . 1 . 2]" 1
1335 1 58 LYS QB 1 84 TYR H . . 5.340 4.204 3.785 4.569 . 0 0 "[ . 1 . 2]" 1
1336 1 58 LYS QB 1 84 TYR HA . . 4.770 3.695 3.324 3.913 . 0 0 "[ . 1 . 2]" 1
1337 1 58 LYS QB 1 85 SER HB2 . . 4.990 4.468 3.764 4.826 . 0 0 "[ . 1 . 2]" 1
1338 1 58 LYS HB2 1 83 GLU HB3 . . 3.480 2.210 1.996 2.578 . 0 0 "[ . 1 . 2]" 1
1339 1 58 LYS HB3 1 83 GLU HB3 . . 3.480 2.688 2.003 3.155 . 0 0 "[ . 1 . 2]" 1
1340 1 58 LYS QD 1 83 GLU HB3 . . 4.140 3.588 3.059 4.143 0.003 9 0 "[ . 1 . 2]" 1
1341 1 58 LYS QD 1 83 GLU QG . . 4.230 3.028 2.498 3.993 . 0 0 "[ . 1 . 2]" 1
1342 1 58 LYS QD 1 85 SER HB2 . . 4.330 3.064 2.615 3.527 . 0 0 "[ . 1 . 2]" 1
1343 1 58 LYS QD 1 85 SER HB3 . . 5.080 4.650 4.123 5.095 0.015 7 0 "[ . 1 . 2]" 1
1344 1 58 LYS QE 1 58 LYS HG2 . . 3.580 2.696 2.062 3.483 . 0 0 "[ . 1 . 2]" 1
1345 1 58 LYS QE 1 58 LYS HG3 . . 3.510 2.572 2.102 3.380 . 0 0 "[ . 1 . 2]" 1
1346 1 58 LYS HG2 1 59 GLY H . . 5.310 5.063 4.862 5.310 . 0 0 "[ . 1 . 2]" 1
1347 1 58 LYS HG2 1 83 GLU HB3 . . 4.210 3.584 3.222 4.042 . 0 0 "[ . 1 . 2]" 1
1348 1 58 LYS HG3 1 59 GLY H . . 5.140 3.517 3.286 3.812 . 0 0 "[ . 1 . 2]" 1
1349 1 58 LYS HG3 1 59 GLY QA . . 5.030 4.044 3.840 4.143 . 0 0 "[ . 1 . 2]" 1
1350 1 58 LYS HG3 1 83 GLU HB3 . . 5.500 4.684 4.304 5.172 . 0 0 "[ . 1 . 2]" 1
1351 1 58 LYS HG3 1 85 SER HB2 . . 5.500 5.404 5.056 5.511 0.011 14 0 "[ . 1 . 2]" 1
1352 1 59 GLY H 1 60 THR H . . 3.530 2.121 1.928 2.674 . 0 0 "[ . 1 . 2]" 1
1353 1 60 THR H 1 60 THR HG1 . . 3.160 2.900 2.294 3.096 . 0 0 "[ . 1 . 2]" 1
1354 1 60 THR H 1 60 THR MG . . 4.050 3.901 3.635 3.963 . 0 0 "[ . 1 . 2]" 1
1355 1 60 THR H 1 61 ASP H . . 3.270 1.948 1.798 2.754 . 0 0 "[ . 1 . 2]" 1
1356 1 60 THR H 1 62 LYS H . . 4.520 3.981 3.812 4.426 . 0 0 "[ . 1 . 2]" 1
1357 1 60 THR HA 1 60 THR MG . . 3.260 2.088 2.025 2.222 . 0 0 "[ . 1 . 2]" 1
1358 1 60 THR HB 1 61 ASP H . . 3.010 2.894 2.681 3.021 0.011 11 0 "[ . 1 . 2]" 1
1359 1 60 THR HB 1 62 LYS H . . 3.150 2.390 2.329 2.521 . 0 0 "[ . 1 . 2]" 1
1360 1 60 THR HB 1 62 LYS HB2 . . 4.770 3.962 2.804 4.775 0.005 9 0 "[ . 1 . 2]" 1
1361 1 60 THR HB 1 62 LYS QB . . 3.950 3.186 2.772 3.358 . 0 0 "[ . 1 . 2]" 1
1362 1 60 THR HB 1 62 LYS HB3 . . 4.770 3.815 3.149 4.674 . 0 0 "[ . 1 . 2]" 1
1363 1 60 THR HB 1 62 LYS HG2 . . 5.500 5.389 4.960 5.543 0.043 3 0 "[ . 1 . 2]" 1
1364 1 60 THR HB 1 62 LYS HG3 . . 5.500 5.384 5.204 5.581 0.081 17 0 "[ . 1 . 2]" 1
1365 1 60 THR HG1 1 61 ASP H . . 4.840 3.918 3.690 4.133 . 0 0 "[ . 1 . 2]" 1
1366 1 60 THR HG1 1 62 LYS H . . 4.420 4.226 4.073 4.358 . 0 0 "[ . 1 . 2]" 1
1367 1 60 THR MG 1 61 ASP H . . 4.220 4.053 3.928 4.149 . 0 0 "[ . 1 . 2]" 1
1368 1 60 THR MG 1 62 LYS H . . 3.870 3.416 3.190 3.600 . 0 0 "[ . 1 . 2]" 1
1369 1 61 ASP H 1 61 ASP HA . . 2.860 2.278 2.275 2.285 . 0 0 "[ . 1 . 2]" 1
1370 1 61 ASP H 1 61 ASP HB2 . . 4.130 3.405 3.121 3.936 . 0 0 "[ . 1 . 2]" 1
1371 1 61 ASP H 1 61 ASP QB . . 3.620 3.179 2.914 3.412 . 0 0 "[ . 1 . 2]" 1
1372 1 61 ASP H 1 61 ASP HB3 . . 4.130 3.899 3.003 4.107 . 0 0 "[ . 1 . 2]" 1
1373 1 61 ASP H 1 62 LYS H . . 3.070 2.577 2.472 2.733 . 0 0 "[ . 1 . 2]" 1
1374 1 61 ASP HA 1 62 LYS H . . 3.310 2.962 2.902 2.984 . 0 0 "[ . 1 . 2]" 1
1375 1 61 ASP QB 1 62 LYS H . . 4.030 3.773 3.736 4.023 . 0 0 "[ . 1 . 2]" 1
1376 1 62 LYS H 1 62 LYS HB2 . . 3.790 3.079 2.542 3.508 . 0 0 "[ . 1 . 2]" 1
1377 1 62 LYS H 1 62 LYS QB . . 3.030 2.661 2.495 2.778 . 0 0 "[ . 1 . 2]" 1
1378 1 62 LYS H 1 62 LYS HB3 . . 3.790 3.185 2.752 3.745 . 0 0 "[ . 1 . 2]" 1
1379 1 62 LYS H 1 62 LYS QG . . 4.370 3.942 3.539 4.202 . 0 0 "[ . 1 . 2]" 1
1380 1 62 LYS H 1 63 GLU H . . 4.130 3.776 3.131 4.029 . 0 0 "[ . 1 . 2]" 1
1381 1 62 LYS HA 1 62 LYS QD . . 3.560 2.376 1.997 2.850 . 0 0 "[ . 1 . 2]" 1
1382 1 62 LYS HA 1 62 LYS QE . . 5.340 4.037 3.348 4.527 . 0 0 "[ . 1 . 2]" 1
1383 1 62 LYS HA 1 62 LYS HG2 . . 4.030 3.280 2.386 3.885 . 0 0 "[ . 1 . 2]" 1
1384 1 62 LYS HA 1 62 LYS QG . . 3.460 2.651 2.222 2.921 . 0 0 "[ . 1 . 2]" 1
1385 1 62 LYS HA 1 62 LYS HG3 . . 4.030 3.182 2.245 3.645 . 0 0 "[ . 1 . 2]" 1
1386 1 62 LYS HA 1 63 GLU H . . 2.590 2.226 2.141 2.531 . 0 0 "[ . 1 . 2]" 1
1387 1 62 LYS QB 1 63 GLU H . . 4.190 3.819 3.447 4.042 . 0 0 "[ . 1 . 2]" 1
1388 1 62 LYS HB2 1 63 GLU H . . 5.050 4.470 4.232 4.665 . 0 0 "[ . 1 . 2]" 1
1389 1 62 LYS HB3 1 63 GLU H . . 5.050 4.193 3.583 4.477 . 0 0 "[ . 1 . 2]" 1
1390 1 62 LYS QD 1 63 GLU H . . 4.740 3.577 3.236 4.749 0.009 17 0 "[ . 1 . 2]" 1
1391 1 62 LYS QE 1 62 LYS QG . . 3.200 2.296 2.075 2.674 . 0 0 "[ . 1 . 2]" 1
1392 1 62 LYS QG 1 63 GLU H . . 4.920 3.862 2.948 4.736 . 0 0 "[ . 1 . 2]" 1
1393 1 63 GLU H 1 63 GLU HB2 . . 3.770 3.015 2.200 3.750 . 0 0 "[ . 1 . 2]" 1
1394 1 63 GLU H 1 63 GLU QB . . 3.040 2.449 2.138 2.781 . 0 0 "[ . 1 . 2]" 1
1395 1 63 GLU H 1 63 GLU HB3 . . 3.770 2.755 2.579 2.909 . 0 0 "[ . 1 . 2]" 1
1396 1 63 GLU H 1 63 GLU QG . . 4.680 3.506 2.561 4.111 . 0 0 "[ . 1 . 2]" 1
1397 1 63 GLU HA 1 63 GLU QG . . 3.510 2.813 2.131 3.404 . 0 0 "[ . 1 . 2]" 1
1398 1 63 GLU HA 1 64 GLN H . . 2.760 2.304 2.219 2.381 . 0 0 "[ . 1 . 2]" 1
1399 1 63 GLU HB2 1 64 GLN H . . 4.140 3.460 2.527 4.173 0.033 17 0 "[ . 1 . 2]" 1
1400 1 63 GLU HB3 1 64 GLN H . . 4.140 3.788 3.456 4.038 . 0 0 "[ . 1 . 2]" 1
1401 1 63 GLU QG 1 64 GLN H . . 3.770 2.733 1.977 3.413 . 0 0 "[ . 1 . 2]" 1
1402 1 63 GLU HG2 1 64 GLN H . . 4.300 3.264 2.176 3.955 . 0 0 "[ . 1 . 2]" 1
1403 1 63 GLU HG3 1 64 GLN H . . 4.300 3.278 1.985 4.317 0.017 9 0 "[ . 1 . 2]" 1
1404 1 64 GLN H 1 64 GLN HB2 . . 3.980 2.495 2.382 2.641 . 0 0 "[ . 1 . 2]" 1
1405 1 64 GLN H 1 64 GLN QB . . 3.230 2.456 2.350 2.593 . 0 0 "[ . 1 . 2]" 1
1406 1 64 GLN H 1 64 GLN HB3 . . 3.980 3.678 3.601 3.778 . 0 0 "[ . 1 . 2]" 1
1407 1 64 GLN H 1 64 GLN HG2 . . 4.470 3.896 2.961 4.472 0.002 3 0 "[ . 1 . 2]" 1
1408 1 64 GLN H 1 64 GLN QG . . 3.730 3.091 2.670 3.547 . 0 0 "[ . 1 . 2]" 1
1409 1 64 GLN H 1 64 GLN HG3 . . 4.470 3.457 2.716 4.257 . 0 0 "[ . 1 . 2]" 1
1410 1 64 GLN H 1 65 ASP H . . 4.980 4.435 4.390 4.501 . 0 0 "[ . 1 . 2]" 1
1411 1 64 GLN HA 1 64 GLN HG2 . . 3.880 2.627 2.251 3.518 . 0 0 "[ . 1 . 2]" 1
1412 1 64 GLN HA 1 64 GLN QG . . 3.200 2.425 2.201 2.690 . 0 0 "[ . 1 . 2]" 1
1413 1 64 GLN HA 1 64 GLN HG3 . . 3.880 3.110 2.317 3.769 . 0 0 "[ . 1 . 2]" 1
1414 1 64 GLN HA 1 65 ASP H . . 2.980 2.596 2.473 2.660 . 0 0 "[ . 1 . 2]" 1
1415 1 64 GLN QB 1 64 GLN QE . . 3.860 2.886 2.055 3.553 . 0 0 "[ . 1 . 2]" 1
1416 1 64 GLN QB 1 65 ASP H . . 3.080 2.016 1.902 2.241 . 0 0 "[ . 1 . 2]" 1
1417 1 64 GLN QB 1 65 ASP HA . . 5.340 3.931 3.852 4.042 . 0 0 "[ . 1 . 2]" 1
1418 1 64 GLN HB2 1 65 ASP H . . 3.860 3.387 3.116 3.556 . 0 0 "[ . 1 . 2]" 1
1419 1 64 GLN HB3 1 65 ASP H . . 3.860 2.032 1.915 2.266 . 0 0 "[ . 1 . 2]" 1
1420 1 64 GLN QG 1 65 ASP H . . 4.130 3.682 3.362 4.022 . 0 0 "[ . 1 . 2]" 1
1421 1 64 GLN HG2 1 65 ASP H . . 4.760 3.959 3.486 4.508 . 0 0 "[ . 1 . 2]" 1
1422 1 64 GLN HG3 1 65 ASP H . . 4.760 4.492 3.988 4.773 0.013 8 0 "[ . 1 . 2]" 1
1423 1 65 ASP H 1 65 ASP HB3 . . 3.940 3.131 2.917 3.451 . 0 0 "[ . 1 . 2]" 1
1424 1 65 ASP H 1 66 VAL H . . 5.040 4.267 4.171 4.353 . 0 0 "[ . 1 . 2]" 1
1425 1 65 ASP HA 1 66 VAL H . . 2.980 2.175 2.153 2.234 . 0 0 "[ . 1 . 2]" 1
1426 1 65 ASP HA 1 66 VAL HA . . 5.170 4.408 4.396 4.428 . 0 0 "[ . 1 . 2]" 1
1427 1 65 ASP HA 1 66 VAL MG1 . . 4.830 3.784 3.490 4.075 . 0 0 "[ . 1 . 2]" 1
1428 1 65 ASP HA 1 66 VAL MG2 . . 4.660 3.698 3.544 3.889 . 0 0 "[ . 1 . 2]" 1
1429 1 65 ASP HB2 1 66 VAL H . . 3.330 3.205 2.898 3.348 0.018 10 0 "[ . 1 . 2]" 1
1430 1 65 ASP HB2 1 66 VAL HA . . 5.130 4.777 4.402 4.970 . 0 0 "[ . 1 . 2]" 1
1431 1 65 ASP HB3 1 66 VAL H . . 4.400 4.260 3.941 4.371 . 0 0 "[ . 1 . 2]" 1
1432 1 66 VAL H 1 66 VAL HB . . 3.890 3.812 3.721 3.885 . 0 0 "[ . 1 . 2]" 1
1433 1 66 VAL H 1 66 VAL MG1 . . 3.540 3.019 2.850 3.260 . 0 0 "[ . 1 . 2]" 1
1434 1 66 VAL H 1 66 VAL MG2 . . 3.450 2.169 1.950 2.353 . 0 0 "[ . 1 . 2]" 1
1435 1 66 VAL HA 1 66 VAL MG1 . . 3.270 2.282 2.101 2.409 . 0 0 "[ . 1 . 2]" 1
1436 1 66 VAL HA 1 66 VAL MG2 . . 3.430 3.194 3.177 3.203 . 0 0 "[ . 1 . 2]" 1
1437 1 66 VAL HA 1 67 ASP H . . 2.890 2.179 2.140 2.263 . 0 0 "[ . 1 . 2]" 1
1438 1 66 VAL HA 1 67 ASP HA . . 5.090 4.355 4.332 4.396 . 0 0 "[ . 1 . 2]" 1
1439 1 66 VAL HA 1 67 ASP QB . . 4.200 4.141 4.046 4.201 0.001 19 0 "[ . 1 . 2]" 1
1440 1 66 VAL HB 1 67 ASP H . . 3.820 3.115 2.762 3.500 . 0 0 "[ . 1 . 2]" 1
1441 1 66 VAL HB 1 73 TYR QE . . 4.750 4.300 3.900 4.566 . 0 0 "[ . 1 . 2]" 1
1442 1 66 VAL MG1 1 67 ASP H . . 4.310 3.906 3.615 4.142 . 0 0 "[ . 1 . 2]" 1
1443 1 66 VAL MG2 1 67 ASP H . . 4.630 3.907 3.717 4.151 . 0 0 "[ . 1 . 2]" 1
1444 1 66 VAL MG2 1 67 ASP HA . . 4.830 4.345 4.204 4.575 . 0 0 "[ . 1 . 2]" 1
1445 1 66 VAL MG2 1 73 TYR QD . . 3.920 3.605 3.203 3.925 0.005 18 0 "[ . 1 . 2]" 1
1446 1 66 VAL MG2 1 73 TYR QE . . 3.450 3.347 3.103 3.465 0.015 8 0 "[ . 1 . 2]" 1
1447 1 67 ASP H 1 67 ASP HB2 . . 3.920 2.999 2.179 3.632 . 0 0 "[ . 1 . 2]" 1
1448 1 67 ASP H 1 67 ASP QB . . 3.180 2.285 2.158 2.480 . 0 0 "[ . 1 . 2]" 1
1449 1 67 ASP H 1 67 ASP HB3 . . 3.920 2.624 2.280 3.512 . 0 0 "[ . 1 . 2]" 1
1450 1 67 ASP HA 1 68 VAL H . . 2.980 2.145 2.139 2.174 . 0 0 "[ . 1 . 2]" 1
1451 1 67 ASP HA 1 68 VAL HB . . 5.200 4.635 4.542 4.793 . 0 0 "[ . 1 . 2]" 1
1452 1 67 ASP HA 1 68 VAL MG2 . . 4.410 3.751 3.536 4.101 . 0 0 "[ . 1 . 2]" 1
1453 1 67 ASP QB 1 68 VAL H . . 4.030 3.539 3.144 3.949 . 0 0 "[ . 1 . 2]" 1
1454 1 67 ASP HB2 1 68 VAL H . . 4.760 3.957 3.232 4.531 . 0 0 "[ . 1 . 2]" 1
1455 1 67 ASP HB3 1 68 VAL H . . 4.760 4.223 3.453 4.476 . 0 0 "[ . 1 . 2]" 1
1456 1 68 VAL H 1 68 VAL HB . . 3.770 2.699 2.485 2.910 . 0 0 "[ . 1 . 2]" 1
1457 1 68 VAL H 1 68 VAL MG1 . . 4.380 3.869 3.777 3.958 . 0 0 "[ . 1 . 2]" 1
1458 1 68 VAL H 1 68 VAL MG2 . . 3.630 2.851 2.672 3.054 . 0 0 "[ . 1 . 2]" 1
1459 1 68 VAL HA 1 68 VAL MG1 . . 3.350 2.400 2.279 2.471 . 0 0 "[ . 1 . 2]" 1
1460 1 68 VAL HA 1 68 VAL MG2 . . 3.460 2.343 2.227 2.450 . 0 0 "[ . 1 . 2]" 1
1461 1 68 VAL HA 1 69 SER H . . 3.410 2.211 2.144 2.326 . 0 0 "[ . 1 . 2]" 1
1462 1 68 VAL HA 1 69 SER QB . . 4.390 4.219 3.947 4.410 0.020 1 0 "[ . 1 . 2]" 1
1463 1 68 VAL HA 1 70 SER H . . 4.320 4.083 3.663 4.275 . 0 0 "[ . 1 . 2]" 1
1464 1 68 VAL HB 1 70 SER H . . 4.690 4.271 3.725 4.693 0.003 13 0 "[ . 1 . 2]" 1
1465 1 68 VAL HB 1 73 TYR QD . . 5.060 4.842 4.611 5.043 . 0 0 "[ . 1 . 2]" 1
1466 1 68 VAL MG1 1 69 SER H . . 4.110 2.266 1.872 2.677 . 0 0 "[ . 1 . 2]" 1
1467 1 68 VAL MG1 1 69 SER HA . . 4.700 3.670 3.460 4.027 . 0 0 "[ . 1 . 2]" 1
1468 1 68 VAL MG1 1 69 SER QB . . 4.990 4.068 3.669 4.384 . 0 0 "[ . 1 . 2]" 1
1469 1 68 VAL MG1 1 70 SER H . . 3.030 2.015 1.843 2.198 . 0 0 "[ . 1 . 2]" 1
1470 1 68 VAL MG1 1 70 SER HA . . 5.020 4.081 3.945 4.250 . 0 0 "[ . 1 . 2]" 1
1471 1 68 VAL MG1 1 70 SER HB2 . . 4.460 3.570 2.827 4.462 0.002 14 0 "[ . 1 . 2]" 1
1472 1 68 VAL MG1 1 70 SER QB . . 3.900 3.228 2.763 3.854 . 0 0 "[ . 1 . 2]" 1
1473 1 68 VAL MG1 1 70 SER HB3 . . 4.460 3.996 3.029 4.355 . 0 0 "[ . 1 . 2]" 1
1474 1 68 VAL MG1 1 71 HIS HA . . 4.820 4.379 3.858 4.823 0.003 8 0 "[ . 1 . 2]" 1
1475 1 68 VAL MG1 1 72 SER H . . 4.700 4.119 3.088 4.630 . 0 0 "[ . 1 . 2]" 1
1476 1 68 VAL MG1 1 73 TYR HA . . 4.540 3.701 3.221 3.995 . 0 0 "[ . 1 . 2]" 1
1477 1 68 VAL MG1 1 73 TYR HB2 . . 3.190 2.064 1.848 2.290 . 0 0 "[ . 1 . 2]" 1
1478 1 68 VAL MG1 1 73 TYR HB3 . . 3.890 3.391 2.999 3.616 . 0 0 "[ . 1 . 2]" 1
1479 1 68 VAL MG1 1 73 TYR QD . . 3.420 2.382 2.069 2.880 . 0 0 "[ . 1 . 2]" 1
1480 1 68 VAL MG1 1 73 TYR QE . . 4.580 4.040 3.631 4.378 . 0 0 "[ . 1 . 2]" 1
1481 1 68 VAL MG2 1 69 SER H . . 4.980 3.935 3.762 4.158 . 0 0 "[ . 1 . 2]" 1
1482 1 68 VAL MG2 1 70 SER H . . 4.730 4.658 4.466 4.739 0.009 12 0 "[ . 1 . 2]" 1
1483 1 68 VAL MG2 1 73 TYR HA . . 4.810 4.417 4.019 4.782 . 0 0 "[ . 1 . 2]" 1
1484 1 68 VAL MG2 1 73 TYR HB2 . . 3.380 2.470 2.019 2.870 . 0 0 "[ . 1 . 2]" 1
1485 1 68 VAL MG2 1 73 TYR HB3 . . 3.680 3.024 2.648 3.462 . 0 0 "[ . 1 . 2]" 1
1486 1 68 VAL MG2 1 73 TYR QD . . 3.280 2.717 2.461 2.926 . 0 0 "[ . 1 . 2]" 1
1487 1 68 VAL MG2 1 73 TYR QE . . 4.060 3.364 2.818 3.703 . 0 0 "[ . 1 . 2]" 1
1488 1 69 SER H 1 69 SER QB . . 3.670 2.539 2.294 3.060 . 0 0 "[ . 1 . 2]" 1
1489 1 69 SER H 1 70 SER H . . 3.420 2.492 1.955 3.245 . 0 0 "[ . 1 . 2]" 1
1490 1 69 SER QB 1 70 SER H . . 4.070 3.445 2.631 4.036 . 0 0 "[ . 1 . 2]" 1
1491 1 69 SER QB 1 70 SER HA . . 4.550 4.382 3.986 4.584 0.034 8 0 "[ . 1 . 2]" 1
1492 1 70 SER H 1 70 SER HB2 . . 4.030 3.059 2.303 3.995 . 0 0 "[ . 1 . 2]" 1
1493 1 70 SER H 1 70 SER QB . . 3.460 2.721 2.276 3.326 . 0 0 "[ . 1 . 2]" 1
1494 1 70 SER H 1 70 SER HB3 . . 4.030 3.430 2.541 3.980 . 0 0 "[ . 1 . 2]" 1
1495 1 70 SER H 1 72 SER H . . 5.390 4.849 4.183 5.326 . 0 0 "[ . 1 . 2]" 1
1496 1 70 SER H 1 73 TYR QD . . 5.500 5.043 4.446 5.495 . 0 0 "[ . 1 . 2]" 1
1497 1 70 SER QB 1 71 HIS H . . 3.230 2.482 2.000 3.077 . 0 0 "[ . 1 . 2]" 1
1498 1 70 SER QB 1 72 SER H . . 3.660 2.582 2.242 3.178 . 0 0 "[ . 1 . 2]" 1
1499 1 70 SER HB2 1 71 HIS H . . 4.010 3.267 2.279 4.012 0.002 13 0 "[ . 1 . 2]" 1
1500 1 70 SER HB2 1 72 SER H . . 4.220 3.293 2.441 4.219 . 0 0 "[ . 1 . 2]" 1
1501 1 70 SER HB3 1 71 HIS H . . 4.010 2.981 2.017 3.906 . 0 0 "[ . 1 . 2]" 1
1502 1 70 SER HB3 1 72 SER H . . 4.220 3.155 2.255 4.182 . 0 0 "[ . 1 . 2]" 1
1503 1 71 HIS H 1 71 HIS QB . . 3.470 2.354 2.217 2.535 . 0 0 "[ . 1 . 2]" 1
1504 1 71 HIS H 1 72 SER H . . 3.150 2.587 2.235 2.938 . 0 0 "[ . 1 . 2]" 1
1505 1 71 HIS HA 1 71 HIS HD2 . . 3.880 2.810 2.353 3.580 . 0 0 "[ . 1 . 2]" 1
1506 1 71 HIS HA 1 72 SER H . . 3.530 3.350 2.910 3.542 0.012 13 0 "[ . 1 . 2]" 1
1507 1 72 SER H 1 72 SER HB2 . . 4.100 3.688 2.602 4.061 . 0 0 "[ . 1 . 2]" 1
1508 1 72 SER H 1 72 SER QB . . 3.580 2.922 2.319 3.322 . 0 0 "[ . 1 . 2]" 1
1509 1 72 SER H 1 72 SER HB3 . . 4.100 3.155 2.373 3.790 . 0 0 "[ . 1 . 2]" 1
1510 1 72 SER H 1 73 TYR H . . 4.670 4.290 3.922 4.526 . 0 0 "[ . 1 . 2]" 1
1511 1 72 SER H 1 73 TYR HA . . 5.330 4.895 4.634 5.193 . 0 0 "[ . 1 . 2]" 1
1512 1 72 SER H 1 73 TYR HB2 . . 5.400 4.932 4.195 5.347 . 0 0 "[ . 1 . 2]" 1
1513 1 72 SER QB 1 73 TYR H . . 3.400 3.175 2.728 3.403 0.003 19 0 "[ . 1 . 2]" 1
1514 1 73 TYR H 1 73 TYR HB2 . . 4.090 3.145 2.934 3.372 . 0 0 "[ . 1 . 2]" 1
1515 1 73 TYR H 1 73 TYR HB3 . . 3.850 2.762 2.598 2.899 . 0 0 "[ . 1 . 2]" 1
1516 1 73 TYR H 1 73 TYR QD . . 4.530 4.355 4.288 4.434 . 0 0 "[ . 1 . 2]" 1
1517 1 73 TYR H 1 74 THR H . . 4.510 4.432 4.364 4.519 0.009 4 0 "[ . 1 . 2]" 1
1518 1 73 TYR HA 1 73 TYR QD . . 3.400 2.799 2.550 2.996 . 0 0 "[ . 1 . 2]" 1
1519 1 73 TYR HA 1 73 TYR QE . . 4.820 4.612 4.524 4.701 . 0 0 "[ . 1 . 2]" 1
1520 1 73 TYR HA 1 74 THR H . . 2.550 2.330 2.219 2.482 . 0 0 "[ . 1 . 2]" 1
1521 1 73 TYR HA 1 74 THR HB . . 4.690 4.635 4.534 4.695 0.005 14 0 "[ . 1 . 2]" 1
1522 1 73 TYR HB2 1 74 THR H . . 4.070 3.917 3.733 4.076 0.006 13 0 "[ . 1 . 2]" 1
1523 1 73 TYR HB3 1 74 THR H . . 4.280 3.698 3.385 3.963 . 0 0 "[ . 1 . 2]" 1
1524 1 73 TYR QD 1 74 THR H . . 3.650 3.007 2.771 3.295 . 0 0 "[ . 1 . 2]" 1
1525 1 73 TYR QD 1 74 THR HA . . 5.100 3.872 3.534 4.243 . 0 0 "[ . 1 . 2]" 1
1526 1 73 TYR QD 1 75 ILE H . . 4.440 3.721 3.570 3.869 . 0 0 "[ . 1 . 2]" 1
1527 1 73 TYR QD 1 75 ILE HA . . 4.270 3.919 3.767 4.041 . 0 0 "[ . 1 . 2]" 1
1528 1 73 TYR QD 1 75 ILE MD . . 3.820 3.164 2.924 3.355 . 0 0 "[ . 1 . 2]" 1
1529 1 73 TYR QD 1 75 ILE HG12 . . 3.390 3.061 2.618 3.370 . 0 0 "[ . 1 . 2]" 1
1530 1 73 TYR QD 1 75 ILE HG13 . . 3.630 2.049 1.995 2.139 . 0 0 "[ . 1 . 2]" 1
1531 1 73 TYR QE 1 74 THR H . . 4.500 3.816 3.537 4.139 . 0 0 "[ . 1 . 2]" 1
1532 1 73 TYR QE 1 75 ILE H . . 5.050 4.269 4.076 4.386 . 0 0 "[ . 1 . 2]" 1
1533 1 73 TYR QE 1 75 ILE HA . . 3.370 2.617 2.329 2.736 . 0 0 "[ . 1 . 2]" 1
1534 1 73 TYR QE 1 75 ILE HB . . 4.610 4.485 4.313 4.605 . 0 0 "[ . 1 . 2]" 1
1535 1 73 TYR QE 1 75 ILE MD . . 3.710 3.596 3.383 3.711 0.001 16 0 "[ . 1 . 2]" 1
1536 1 73 TYR QE 1 75 ILE HG12 . . 3.670 2.133 2.001 2.342 . 0 0 "[ . 1 . 2]" 1
1537 1 73 TYR QE 1 75 ILE HG13 . . 3.420 2.586 2.160 2.937 . 0 0 "[ . 1 . 2]" 1
1538 1 73 TYR QE 1 75 ILE MG . . 4.610 3.592 3.381 3.777 . 0 0 "[ . 1 . 2]" 1
1539 1 73 TYR QE 1 76 ASN H . . 4.500 4.396 4.116 4.504 0.004 9 0 "[ . 1 . 2]" 1
1540 1 74 THR H 1 74 THR HB . . 2.810 2.709 2.607 2.811 0.001 7 0 "[ . 1 . 2]" 1
1541 1 74 THR H 1 74 THR MG . . 3.980 3.884 3.844 3.930 . 0 0 "[ . 1 . 2]" 1
1542 1 74 THR H 1 75 ILE H . . 4.630 4.228 4.048 4.391 . 0 0 "[ . 1 . 2]" 1
1543 1 74 THR H 1 75 ILE HG13 . . 5.500 4.527 4.236 4.799 . 0 0 "[ . 1 . 2]" 1
1544 1 74 THR HA 1 74 THR MG . . 3.200 2.350 2.233 2.452 . 0 0 "[ . 1 . 2]" 1
1545 1 74 THR HA 1 75 ILE H . . 2.780 2.147 2.142 2.164 . 0 0 "[ . 1 . 2]" 1
1546 1 74 THR HA 1 75 ILE HB . . 5.070 4.586 4.516 4.658 . 0 0 "[ . 1 . 2]" 1
1547 1 74 THR HA 1 75 ILE HG12 . . 5.500 5.444 5.309 5.510 0.010 11 0 "[ . 1 . 2]" 1
1548 1 74 THR HB 1 75 ILE H . . 4.420 4.264 4.137 4.397 . 0 0 "[ . 1 . 2]" 1
1549 1 74 THR HB 1 76 ASN QD . . 4.530 3.451 2.889 4.531 0.001 11 0 "[ . 1 . 2]" 1
1550 1 74 THR MG 1 75 ILE H . . 3.370 2.785 2.532 3.081 . 0 0 "[ . 1 . 2]" 1
1551 1 74 THR MG 1 75 ILE HA . . 4.750 3.956 3.818 4.132 . 0 0 "[ . 1 . 2]" 1
1552 1 74 THR MG 1 75 ILE HB . . 4.930 4.627 4.464 4.804 . 0 0 "[ . 1 . 2]" 1
1553 1 74 THR MG 1 76 ASN H . . 4.760 4.081 3.606 4.448 . 0 0 "[ . 1 . 2]" 1
1554 1 74 THR MG 1 76 ASN HA . . 4.870 4.130 3.855 4.391 . 0 0 "[ . 1 . 2]" 1
1555 1 74 THR MG 1 76 ASN HD21 . . 4.330 3.192 2.262 4.337 0.007 7 0 "[ . 1 . 2]" 1
1556 1 74 THR MG 1 76 ASN QD . . 3.610 2.529 1.814 3.186 . 0 0 "[ . 1 . 2]" 1
1557 1 74 THR MG 1 76 ASN HD22 . . 4.330 3.016 1.909 4.328 . 0 0 "[ . 1 . 2]" 1
1558 1 75 ILE H 1 75 ILE HB . . 3.280 2.491 2.445 2.561 . 0 0 "[ . 1 . 2]" 1
1559 1 75 ILE H 1 75 ILE HG12 . . 4.150 3.941 3.722 4.115 . 0 0 "[ . 1 . 2]" 1
1560 1 75 ILE H 1 75 ILE HG13 . . 3.490 2.627 2.397 2.788 . 0 0 "[ . 1 . 2]" 1
1561 1 75 ILE H 1 75 ILE MG . . 3.890 3.780 3.756 3.814 . 0 0 "[ . 1 . 2]" 1
1562 1 75 ILE H 1 76 ASN H . . 4.680 4.353 4.203 4.500 . 0 0 "[ . 1 . 2]" 1
1563 1 75 ILE H 1 78 LEU MD1 . . 5.150 4.552 4.359 4.798 . 0 0 "[ . 1 . 2]" 1
1564 1 75 ILE HA 1 75 ILE HG12 . . 3.750 2.643 2.515 2.766 . 0 0 "[ . 1 . 2]" 1
1565 1 75 ILE HA 1 75 ILE HG13 . . 3.790 2.805 2.696 2.918 . 0 0 "[ . 1 . 2]" 1
1566 1 75 ILE HA 1 75 ILE MG . . 3.270 2.391 2.289 2.485 . 0 0 "[ . 1 . 2]" 1
1567 1 75 ILE HA 1 76 ASN H . . 2.560 2.150 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
1568 1 75 ILE HA 1 76 ASN HA . . 4.580 4.399 4.391 4.420 . 0 0 "[ . 1 . 2]" 1
1569 1 75 ILE HA 1 76 ASN QB . . 4.800 4.566 4.272 4.730 . 0 0 "[ . 1 . 2]" 1
1570 1 75 ILE HA 1 76 ASN QD . . 5.160 3.795 3.043 4.993 . 0 0 "[ . 1 . 2]" 1
1571 1 75 ILE HB 1 76 ASN H . . 4.430 4.325 4.156 4.462 0.032 19 0 "[ . 1 . 2]" 1
1572 1 75 ILE HB 1 78 LEU MD1 . . 3.610 2.922 2.630 3.201 . 0 0 "[ . 1 . 2]" 1
1573 1 75 ILE HB 1 78 LEU MD2 . . 5.020 3.991 3.714 4.325 . 0 0 "[ . 1 . 2]" 1
1574 1 75 ILE HB 1 86 PHE QE . . 4.010 3.603 3.138 3.882 . 0 0 "[ . 1 . 2]" 1
1575 1 75 ILE HB 1 86 PHE HZ . . 5.500 3.935 3.690 4.168 . 0 0 "[ . 1 . 2]" 1
1576 1 75 ILE MD 1 86 PHE QD . . 4.030 2.927 2.669 3.166 . 0 0 "[ . 1 . 2]" 1
1577 1 75 ILE MD 1 86 PHE QE . . 3.070 1.843 1.771 1.972 . 0 0 "[ . 1 . 2]" 1
1578 1 75 ILE MD 1 86 PHE HZ . . 4.820 3.333 2.881 3.876 . 0 0 "[ . 1 . 2]" 1
1579 1 75 ILE HG12 1 75 ILE MG . . 3.340 2.269 2.106 2.356 . 0 0 "[ . 1 . 2]" 1
1580 1 75 ILE HG12 1 76 ASN H . . 4.760 4.517 4.220 4.680 . 0 0 "[ . 1 . 2]" 1
1581 1 75 ILE HG12 1 78 LEU MD1 . . 5.500 5.154 4.901 5.336 . 0 0 "[ . 1 . 2]" 1
1582 1 75 ILE HG12 1 78 LEU MD2 . . 5.500 5.146 4.953 5.388 . 0 0 "[ . 1 . 2]" 1
1583 1 75 ILE HG12 1 86 PHE QE . . 4.680 4.418 4.221 4.683 0.003 18 0 "[ . 1 . 2]" 1
1584 1 75 ILE HG13 1 75 ILE MG . . 3.210 3.179 3.159 3.200 . 0 0 "[ . 1 . 2]" 1
1585 1 75 ILE MG 1 76 ASN H . . 3.420 2.778 2.267 3.129 . 0 0 "[ . 1 . 2]" 1
1586 1 75 ILE MG 1 76 ASN HA . . 4.660 3.761 3.603 3.950 . 0 0 "[ . 1 . 2]" 1
1587 1 75 ILE MG 1 77 GLY H . . 5.260 4.865 4.649 5.084 . 0 0 "[ . 1 . 2]" 1
1588 1 75 ILE MG 1 78 LEU H . . 5.310 5.131 5.006 5.309 . 0 0 "[ . 1 . 2]" 1
1589 1 75 ILE MG 1 78 LEU HA . . 5.200 5.128 4.936 5.206 0.006 18 0 "[ . 1 . 2]" 1
1590 1 75 ILE MG 1 78 LEU MD1 . . 3.190 2.334 2.114 2.720 . 0 0 "[ . 1 . 2]" 1
1591 1 75 ILE MG 1 78 LEU MD2 . . 2.940 2.115 1.932 2.351 . 0 0 "[ . 1 . 2]" 1
1592 1 75 ILE MG 1 78 LEU HG . . 3.160 2.895 2.658 3.136 . 0 0 "[ . 1 . 2]" 1
1593 1 75 ILE MG 1 86 PHE QE . . 3.940 3.425 3.186 3.721 . 0 0 "[ . 1 . 2]" 1
1594 1 76 ASN H 1 76 ASN HB2 . . 3.830 2.994 2.320 3.624 . 0 0 "[ . 1 . 2]" 1
1595 1 76 ASN H 1 76 ASN QB . . 3.040 2.739 2.292 3.019 . 0 0 "[ . 1 . 2]" 1
1596 1 76 ASN H 1 76 ASN HB3 . . 3.830 3.530 3.082 3.799 . 0 0 "[ . 1 . 2]" 1
1597 1 76 ASN H 1 76 ASN HD21 . . 4.730 2.865 1.813 4.353 . 0 0 "[ . 1 . 2]" 1
1598 1 76 ASN H 1 76 ASN QD . . 3.970 2.696 1.805 3.967 . 0 0 "[ . 1 . 2]" 1
1599 1 76 ASN H 1 76 ASN HD22 . . 4.730 3.622 2.750 4.573 . 0 0 "[ . 1 . 2]" 1
1600 1 76 ASN H 1 77 GLY H . . 4.620 4.524 4.483 4.562 . 0 0 "[ . 1 . 2]" 1
1601 1 76 ASN H 1 78 LEU HG . . 5.060 4.909 4.698 5.049 . 0 0 "[ . 1 . 2]" 1
1602 1 76 ASN HA 1 77 GLY H . . 3.060 2.409 2.285 2.595 . 0 0 "[ . 1 . 2]" 1
1603 1 76 ASN HA 1 78 LEU H . . 4.250 4.020 3.833 4.251 0.001 13 0 "[ . 1 . 2]" 1
1604 1 76 ASN HA 1 78 LEU MD1 . . 5.120 3.954 3.680 4.317 . 0 0 "[ . 1 . 2]" 1
1605 1 76 ASN HA 1 78 LEU HG . . 4.300 3.455 3.262 3.632 . 0 0 "[ . 1 . 2]" 1
1606 1 76 ASN QB 1 76 ASN QD . . 2.960 2.227 2.075 2.456 . 0 0 "[ . 1 . 2]" 1
1607 1 76 ASN QB 1 77 GLY H . . 3.060 2.447 2.039 2.731 . 0 0 "[ . 1 . 2]" 1
1608 1 76 ASN HB2 1 77 GLY H . . 3.800 3.123 2.204 3.722 . 0 0 "[ . 1 . 2]" 1
1609 1 76 ASN HB3 1 77 GLY H . . 3.800 2.873 2.058 3.696 . 0 0 "[ . 1 . 2]" 1
1610 1 77 GLY H 1 78 LEU H . . 3.240 2.519 2.307 2.785 . 0 0 "[ . 1 . 2]" 1
1611 1 77 GLY H 1 78 LEU HG . . 4.080 3.657 3.447 3.936 . 0 0 "[ . 1 . 2]" 1
1612 1 78 LEU H 1 78 LEU HB2 . . 3.050 2.734 2.640 2.810 . 0 0 "[ . 1 . 2]" 1
1613 1 78 LEU H 1 78 LEU HB3 . . 3.850 3.805 3.759 3.837 . 0 0 "[ . 1 . 2]" 1
1614 1 78 LEU H 1 78 LEU MD1 . . 4.110 4.002 3.909 4.104 . 0 0 "[ . 1 . 2]" 1
1615 1 78 LEU H 1 78 LEU MD2 . . 3.700 3.627 3.502 3.700 . 13 0 "[ . 1 . 2]" 1
1616 1 78 LEU H 1 78 LEU HG . . 3.290 2.800 2.687 2.936 . 0 0 "[ . 1 . 2]" 1
1617 1 78 LEU H 1 79 LYS H . . 4.750 4.465 4.438 4.493 . 0 0 "[ . 1 . 2]" 1
1618 1 78 LEU HA 1 78 LEU MD1 . . 4.290 3.913 3.869 3.961 . 0 0 "[ . 1 . 2]" 1
1619 1 78 LEU HA 1 78 LEU MD2 . . 2.720 2.191 2.036 2.356 . 0 0 "[ . 1 . 2]" 1
1620 1 78 LEU HA 1 78 LEU HG . . 4.050 3.232 3.177 3.290 . 0 0 "[ . 1 . 2]" 1
1621 1 78 LEU HA 1 79 LYS H . . 3.050 2.445 2.342 2.549 . 0 0 "[ . 1 . 2]" 1
1622 1 78 LEU HA 1 79 LYS QG . . 4.650 3.922 3.531 4.248 . 0 0 "[ . 1 . 2]" 1
1623 1 78 LEU HA 1 84 TYR QE . . 4.680 4.260 4.046 4.665 . 0 0 "[ . 1 . 2]" 1
1624 1 78 LEU HA 1 107 THR MG . . 5.500 5.430 5.230 5.509 0.009 19 0 "[ . 1 . 2]" 1
1625 1 78 LEU HB2 1 78 LEU MD1 . . 3.220 2.284 2.164 2.410 . 0 0 "[ . 1 . 2]" 1
1626 1 78 LEU HB2 1 79 LYS H . . 3.630 3.382 3.184 3.590 . 0 0 "[ . 1 . 2]" 1
1627 1 78 LEU HB2 1 79 LYS HA . . 5.500 4.930 4.843 5.034 . 0 0 "[ . 1 . 2]" 1
1628 1 78 LEU HB2 1 84 TYR QE . . 4.610 3.986 3.486 4.521 . 0 0 "[ . 1 . 2]" 1
1629 1 78 LEU HB2 1 107 THR MG . . 3.280 3.176 2.904 3.270 . 0 0 "[ . 1 . 2]" 1
1630 1 78 LEU HB3 1 78 LEU MD1 . . 3.090 2.393 2.273 2.493 . 0 0 "[ . 1 . 2]" 1
1631 1 78 LEU HB3 1 78 LEU MD2 . . 3.150 2.331 2.252 2.410 . 0 0 "[ . 1 . 2]" 1
1632 1 78 LEU HB3 1 79 LYS H . . 3.140 2.371 2.176 2.587 . 0 0 "[ . 1 . 2]" 1
1633 1 78 LEU HB3 1 82 THR HB . . 5.170 4.672 4.224 4.967 . 0 0 "[ . 1 . 2]" 1
1634 1 78 LEU HB3 1 84 TYR QE . . 3.860 2.845 2.446 3.216 . 0 0 "[ . 1 . 2]" 1
1635 1 78 LEU MD1 1 79 LYS H . . 4.720 4.393 4.176 4.596 . 0 0 "[ . 1 . 2]" 1
1636 1 78 LEU MD1 1 84 TYR HB2 . . 5.140 3.797 3.527 4.145 . 0 0 "[ . 1 . 2]" 1
1637 1 78 LEU MD1 1 84 TYR QE . . 4.660 3.644 3.281 4.168 . 0 0 "[ . 1 . 2]" 1
1638 1 78 LEU MD1 1 86 PHE QE . . 4.160 3.728 3.491 3.955 . 0 0 "[ . 1 . 2]" 1
1639 1 78 LEU MD1 1 86 PHE HZ . . 4.030 2.849 2.527 3.088 . 0 0 "[ . 1 . 2]" 1
1640 1 78 LEU MD1 1 107 THR MG . . 3.170 2.714 2.346 2.898 . 0 0 "[ . 1 . 2]" 1
1641 1 78 LEU MD2 1 79 LYS H . . 3.840 3.646 3.521 3.770 . 0 0 "[ . 1 . 2]" 1
1642 1 78 LEU MD2 1 84 TYR QE . . 3.610 3.128 2.530 3.534 . 0 0 "[ . 1 . 2]" 1
1643 1 78 LEU MD2 1 107 THR MG . . 5.190 4.523 4.266 4.663 . 0 0 "[ . 1 . 2]" 1
1644 1 79 LYS H 1 79 LYS HB2 . . 3.720 2.330 2.189 2.578 . 0 0 "[ . 1 . 2]" 1
1645 1 79 LYS H 1 79 LYS QB . . 3.080 2.300 2.168 2.524 . 0 0 "[ . 1 . 2]" 1
1646 1 79 LYS H 1 79 LYS HB3 . . 3.720 3.565 3.495 3.619 . 0 0 "[ . 1 . 2]" 1
1647 1 79 LYS H 1 79 LYS HG2 . . 3.890 3.230 2.622 3.789 . 0 0 "[ . 1 . 2]" 1
1648 1 79 LYS H 1 79 LYS QG . . 3.240 2.635 2.055 2.894 . 0 0 "[ . 1 . 2]" 1
1649 1 79 LYS H 1 79 LYS HG3 . . 3.890 3.137 2.068 3.847 . 0 0 "[ . 1 . 2]" 1
1650 1 79 LYS H 1 82 THR HB . . 4.570 3.841 3.488 4.206 . 0 0 "[ . 1 . 2]" 1
1651 1 79 LYS H 1 82 THR MG . . 4.550 4.174 3.890 4.404 . 0 0 "[ . 1 . 2]" 1
1652 1 79 LYS H 1 84 TYR QE . . 3.790 2.949 2.403 3.456 . 0 0 "[ . 1 . 2]" 1
1653 1 79 LYS H 1 107 THR MG . . 5.000 4.676 4.352 4.910 . 0 0 "[ . 1 . 2]" 1
1654 1 79 LYS HA 1 79 LYS HG2 . . 4.070 2.530 2.234 2.889 . 0 0 "[ . 1 . 2]" 1
1655 1 79 LYS HA 1 79 LYS QG . . 3.460 2.444 2.190 2.669 . 0 0 "[ . 1 . 2]" 1
1656 1 79 LYS HA 1 79 LYS HG3 . . 4.070 3.375 2.758 3.743 . 0 0 "[ . 1 . 2]" 1
1657 1 79 LYS HA 1 80 LYS H . . 2.640 2.411 2.277 2.536 . 0 0 "[ . 1 . 2]" 1
1658 1 79 LYS HA 1 80 LYS HA . . 4.670 4.349 4.328 4.384 . 0 0 "[ . 1 . 2]" 1
1659 1 79 LYS HA 1 80 LYS QB . . 4.820 4.467 4.259 4.639 . 0 0 "[ . 1 . 2]" 1
1660 1 79 LYS HA 1 80 LYS HG3 . . 4.600 4.222 3.995 4.439 . 0 0 "[ . 1 . 2]" 1
1661 1 79 LYS QB 1 79 LYS QE . . 3.830 2.444 1.952 3.539 . 0 0 "[ . 1 . 2]" 1
1662 1 79 LYS QB 1 80 LYS H . . 3.880 2.404 2.131 2.722 . 0 0 "[ . 1 . 2]" 1
1663 1 79 LYS QB 1 82 THR HB . . 3.380 2.531 2.184 2.780 . 0 0 "[ . 1 . 2]" 1
1664 1 79 LYS QB 1 82 THR HG1 . . 4.010 2.546 1.945 3.067 . 0 0 "[ . 1 . 2]" 1
1665 1 79 LYS QB 1 82 THR MG . . 4.320 2.836 2.451 3.058 . 0 0 "[ . 1 . 2]" 1
1666 1 79 LYS QB 1 84 TYR QE . . 4.620 3.091 2.397 3.691 . 0 0 "[ . 1 . 2]" 1
1667 1 79 LYS HB2 1 80 LYS H . . 4.610 3.726 3.356 4.017 . 0 0 "[ . 1 . 2]" 1
1668 1 79 LYS HB2 1 82 THR HB . . 3.970 2.605 2.228 2.903 . 0 0 "[ . 1 . 2]" 1
1669 1 79 LYS HB2 1 82 THR HG1 . . 4.560 3.093 2.100 3.735 . 0 0 "[ . 1 . 2]" 1
1670 1 79 LYS HB3 1 80 LYS H . . 4.610 2.435 2.148 2.770 . 0 0 "[ . 1 . 2]" 1
1671 1 79 LYS HB3 1 82 THR HB . . 3.970 3.507 3.097 3.966 . 0 0 "[ . 1 . 2]" 1
1672 1 79 LYS HB3 1 82 THR HG1 . . 4.560 2.751 2.079 3.338 . 0 0 "[ . 1 . 2]" 1
1673 1 79 LYS QE 1 79 LYS QG . . 3.180 2.239 2.080 2.451 . 0 0 "[ . 1 . 2]" 1
1674 1 79 LYS QE 1 82 THR MG . . 4.290 3.883 2.278 4.289 . 0 0 "[ . 1 . 2]" 1
1675 1 79 LYS QG 1 80 LYS H . . 4.720 3.906 3.523 4.267 . 0 0 "[ . 1 . 2]" 1
1676 1 80 LYS H 1 80 LYS QB . . 2.860 2.375 2.175 2.570 . 0 0 "[ . 1 . 2]" 1
1677 1 80 LYS H 1 80 LYS QD . . 4.170 2.774 1.876 4.175 0.005 19 0 "[ . 1 . 2]" 1
1678 1 80 LYS H 1 80 LYS QE . . 4.750 3.710 2.641 4.764 0.014 17 0 "[ . 1 . 2]" 1
1679 1 80 LYS H 1 80 LYS HG2 . . 4.340 4.166 3.910 4.341 0.001 12 0 "[ . 1 . 2]" 1
1680 1 80 LYS H 1 80 LYS HG3 . . 3.180 3.161 3.054 3.202 0.022 15 0 "[ . 1 . 2]" 1
1681 1 80 LYS H 1 82 THR HG1 . . 4.420 3.807 3.154 4.263 . 0 0 "[ . 1 . 2]" 1
1682 1 80 LYS HA 1 80 LYS QD . . 4.480 3.773 3.449 4.116 . 0 0 "[ . 1 . 2]" 1
1683 1 80 LYS HA 1 80 LYS HG2 . . 3.820 3.224 2.802 3.579 . 0 0 "[ . 1 . 2]" 1
1684 1 80 LYS HA 1 80 LYS HG3 . . 4.230 2.446 2.391 2.504 . 0 0 "[ . 1 . 2]" 1
1685 1 80 LYS HA 1 81 TYR H . . 2.880 2.222 2.157 2.289 . 0 0 "[ . 1 . 2]" 1
1686 1 80 LYS HA 1 81 TYR HA . . 4.500 4.397 4.380 4.421 . 0 0 "[ . 1 . 2]" 1
1687 1 80 LYS HA 1 82 THR H . . 4.130 3.725 3.402 3.940 . 0 0 "[ . 1 . 2]" 1
1688 1 80 LYS HA 1 82 THR HG1 . . 5.500 4.478 3.966 4.802 . 0 0 "[ . 1 . 2]" 1
1689 1 80 LYS HA 1 107 THR HG1 . . 3.390 2.638 2.292 3.144 . 0 0 "[ . 1 . 2]" 1
1690 1 80 LYS HA 1 107 THR MG . . 4.640 4.314 4.113 4.510 . 0 0 "[ . 1 . 2]" 1
1691 1 80 LYS HA 1 109 SER HA . . 5.500 4.301 3.757 4.946 . 0 0 "[ . 1 . 2]" 1
1692 1 80 LYS QB 1 81 TYR H . . 3.490 2.910 2.721 3.145 . 0 0 "[ . 1 . 2]" 1
1693 1 80 LYS QB 1 81 TYR HB2 . . 4.760 3.406 3.270 3.551 . 0 0 "[ . 1 . 2]" 1
1694 1 80 LYS QB 1 81 TYR HB3 . . 4.770 3.997 3.706 4.153 . 0 0 "[ . 1 . 2]" 1
1695 1 80 LYS QB 1 107 THR HG1 . . 4.760 4.472 4.090 4.762 0.002 14 0 "[ . 1 . 2]" 1
1696 1 80 LYS QB 1 109 SER QB . . 4.960 4.308 3.831 4.961 0.001 11 0 "[ . 1 . 2]" 1
1697 1 80 LYS QB 1 110 ASP QB . . 5.030 3.372 2.717 4.276 . 0 0 "[ . 1 . 2]" 1
1698 1 80 LYS QD 1 80 LYS HG3 . . 2.670 2.400 2.254 2.481 . 0 0 "[ . 1 . 2]" 1
1699 1 80 LYS QD 1 109 SER HA . . 5.500 5.177 4.204 5.502 0.002 16 0 "[ . 1 . 2]" 1
1700 1 80 LYS QD 1 110 ASP H . . 4.660 4.029 2.773 4.658 . 0 0 "[ . 1 . 2]" 1
1701 1 80 LYS QD 1 110 ASP QB . . 4.050 3.050 1.817 3.940 . 0 0 "[ . 1 . 2]" 1
1702 1 80 LYS QE 1 80 LYS HG2 . . 3.520 2.777 2.268 3.400 . 0 0 "[ . 1 . 2]" 1
1703 1 80 LYS QE 1 80 LYS HG3 . . 3.380 2.362 2.178 2.583 . 0 0 "[ . 1 . 2]" 1
1704 1 80 LYS HG3 1 81 TYR H . . 4.650 4.380 4.255 4.505 . 0 0 "[ . 1 . 2]" 1
1705 1 81 TYR H 1 81 TYR HA . . 2.930 2.280 2.274 2.294 . 0 0 "[ . 1 . 2]" 1
1706 1 81 TYR H 1 81 TYR HB2 . . 3.590 2.989 2.873 3.182 . 0 0 "[ . 1 . 2]" 1
1707 1 81 TYR H 1 81 TYR HB3 . . 4.050 3.718 3.539 3.804 . 0 0 "[ . 1 . 2]" 1
1708 1 81 TYR H 1 81 TYR QD . . 4.370 3.867 3.690 4.138 . 0 0 "[ . 1 . 2]" 1
1709 1 81 TYR H 1 82 THR H . . 3.470 2.821 2.509 3.014 . 0 0 "[ . 1 . 2]" 1
1710 1 81 TYR H 1 107 THR H . . 4.720 4.424 3.852 4.721 0.001 13 0 "[ . 1 . 2]" 1
1711 1 81 TYR H 1 107 THR HG1 . . 3.310 2.453 1.920 3.084 . 0 0 "[ . 1 . 2]" 1
1712 1 81 TYR H 1 107 THR MG . . 4.660 4.476 4.050 4.642 . 0 0 "[ . 1 . 2]" 1
1713 1 81 TYR H 1 108 LEU H . . 5.090 4.366 3.821 4.915 . 0 0 "[ . 1 . 2]" 1
1714 1 81 TYR H 1 109 SER HA . . 3.970 3.113 2.806 3.469 . 0 0 "[ . 1 . 2]" 1
1715 1 81 TYR HA 1 81 TYR QD . . 3.260 2.287 2.023 2.595 . 0 0 "[ . 1 . 2]" 1
1716 1 81 TYR HA 1 81 TYR QE . . 4.860 4.305 4.184 4.499 . 0 0 "[ . 1 . 2]" 1
1717 1 81 TYR HA 1 82 THR H . . 3.120 2.754 2.635 2.983 . 0 0 "[ . 1 . 2]" 1
1718 1 81 TYR HA 1 106 ARG HD2 . . 4.810 4.334 3.260 4.790 . 0 0 "[ . 1 . 2]" 1
1719 1 81 TYR HA 1 106 ARG QD . . 4.150 3.434 2.916 3.717 . 0 0 "[ . 1 . 2]" 1
1720 1 81 TYR HA 1 106 ARG HD3 . . 4.810 3.671 3.068 4.816 0.006 7 0 "[ . 1 . 2]" 1
1721 1 81 TYR HA 1 106 ARG HG2 . . 3.720 2.873 2.578 3.150 . 0 0 "[ . 1 . 2]" 1
1722 1 81 TYR HA 1 106 ARG HG3 . . 4.490 4.121 3.803 4.319 . 0 0 "[ . 1 . 2]" 1
1723 1 81 TYR HA 1 107 THR H . . 4.540 3.897 3.581 4.188 . 0 0 "[ . 1 . 2]" 1
1724 1 81 TYR HA 1 107 THR HG1 . . 4.400 3.631 2.811 4.257 . 0 0 "[ . 1 . 2]" 1
1725 1 81 TYR HA 1 107 THR MG . . 5.500 5.155 4.874 5.383 . 0 0 "[ . 1 . 2]" 1
1726 1 81 TYR HA 1 109 SER HB2 . . 5.060 4.166 3.166 4.988 . 0 0 "[ . 1 . 2]" 1
1727 1 81 TYR HA 1 109 SER HB3 . . 5.060 4.523 3.676 5.063 0.003 19 0 "[ . 1 . 2]" 1
1728 1 81 TYR HB2 1 82 THR H . . 4.630 4.580 4.449 4.633 0.003 9 0 "[ . 1 . 2]" 1
1729 1 81 TYR HB2 1 109 SER HA . . 3.710 2.692 2.333 2.894 . 0 0 "[ . 1 . 2]" 1
1730 1 81 TYR HB2 1 109 SER HB2 . . 4.010 2.561 2.012 3.379 . 0 0 "[ . 1 . 2]" 1
1731 1 81 TYR HB2 1 109 SER HB3 . . 4.010 3.548 2.832 3.994 . 0 0 "[ . 1 . 2]" 1
1732 1 81 TYR HB2 1 110 ASP H . . 5.030 4.185 3.566 4.666 . 0 0 "[ . 1 . 2]" 1
1733 1 81 TYR HB3 1 82 THR H . . 5.140 4.233 4.011 4.314 . 0 0 "[ . 1 . 2]" 1
1734 1 81 TYR HB3 1 109 SER HA . . 4.500 4.373 3.997 4.507 0.007 7 0 "[ . 1 . 2]" 1
1735 1 81 TYR HB3 1 109 SER QB . . 4.660 3.891 3.524 4.574 . 0 0 "[ . 1 . 2]" 1
1736 1 81 TYR QD 1 82 THR H . . 5.070 4.731 4.604 4.866 . 0 0 "[ . 1 . 2]" 1
1737 1 81 TYR QD 1 106 ARG HD2 . . 4.420 3.760 2.831 4.354 . 0 0 "[ . 1 . 2]" 1
1738 1 81 TYR QD 1 106 ARG QD . . 3.860 3.055 2.755 3.386 . 0 0 "[ . 1 . 2]" 1
1739 1 81 TYR QD 1 106 ARG HD3 . . 4.420 3.304 2.999 4.260 . 0 0 "[ . 1 . 2]" 1
1740 1 81 TYR QD 1 106 ARG HG2 . . 4.350 3.706 3.372 4.127 . 0 0 "[ . 1 . 2]" 1
1741 1 81 TYR QD 1 108 LEU HA . . 4.690 4.229 3.485 4.637 . 0 0 "[ . 1 . 2]" 1
1742 1 81 TYR QD 1 109 SER H . . 4.170 3.674 3.236 3.970 . 0 0 "[ . 1 . 2]" 1
1743 1 81 TYR QD 1 109 SER HA . . 4.500 3.634 3.079 4.129 . 0 0 "[ . 1 . 2]" 1
1744 1 81 TYR QD 1 109 SER HB2 . . 3.810 2.796 2.008 3.608 . 0 0 "[ . 1 . 2]" 1
1745 1 81 TYR QD 1 109 SER HB3 . . 3.810 2.770 2.016 3.656 . 0 0 "[ . 1 . 2]" 1
1746 1 81 TYR QE 1 106 ARG HD2 . . 3.760 3.143 2.335 3.752 . 0 0 "[ . 1 . 2]" 1
1747 1 81 TYR QE 1 106 ARG QD . . 3.280 2.722 2.190 3.178 . 0 0 "[ . 1 . 2]" 1
1748 1 81 TYR QE 1 106 ARG HD3 . . 3.760 3.037 2.581 3.558 . 0 0 "[ . 1 . 2]" 1
1749 1 81 TYR QE 1 109 SER H . . 5.270 5.035 4.576 5.272 0.002 7 0 "[ . 1 . 2]" 1
1750 1 81 TYR QE 1 109 SER HB2 . . 4.730 4.214 3.613 4.729 . 0 0 "[ . 1 . 2]" 1
1751 1 81 TYR QE 1 109 SER QB . . 4.080 3.464 3.143 3.953 . 0 0 "[ . 1 . 2]" 1
1752 1 81 TYR QE 1 109 SER HB3 . . 4.730 3.863 3.205 4.551 . 0 0 "[ . 1 . 2]" 1
1753 1 82 THR H 1 82 THR HB . . 2.910 2.701 2.520 2.839 . 0 0 "[ . 1 . 2]" 1
1754 1 82 THR H 1 82 THR HG1 . . 3.450 3.022 2.672 3.451 0.001 10 0 "[ . 1 . 2]" 1
1755 1 82 THR H 1 82 THR MG . . 3.990 3.868 3.795 3.925 . 0 0 "[ . 1 . 2]" 1
1756 1 82 THR H 1 84 TYR QE . . 4.200 3.902 3.526 4.203 0.003 14 0 "[ . 1 . 2]" 1
1757 1 82 THR H 1 106 ARG HA . . 4.830 4.331 4.136 4.552 . 0 0 "[ . 1 . 2]" 1
1758 1 82 THR H 1 106 ARG HG2 . . 4.610 3.631 3.397 3.954 . 0 0 "[ . 1 . 2]" 1
1759 1 82 THR H 1 106 ARG HG3 . . 4.580 4.239 3.812 4.579 . 0 0 "[ . 1 . 2]" 1
1760 1 82 THR H 1 107 THR H . . 3.140 2.856 2.619 3.112 . 0 0 "[ . 1 . 2]" 1
1761 1 82 THR H 1 107 THR HG1 . . 2.940 2.134 1.897 2.447 . 0 0 "[ . 1 . 2]" 1
1762 1 82 THR H 1 107 THR MG . . 3.880 3.666 3.361 3.844 . 0 0 "[ . 1 . 2]" 1
1763 1 82 THR HA 1 82 THR MG . . 3.200 2.393 2.240 2.485 . 0 0 "[ . 1 . 2]" 1
1764 1 82 THR HA 1 83 GLU H . . 2.660 2.202 2.151 2.315 . 0 0 "[ . 1 . 2]" 1
1765 1 82 THR HA 1 83 GLU HB2 . . 4.690 4.245 4.183 4.299 . 0 0 "[ . 1 . 2]" 1
1766 1 82 THR HA 1 106 ARG HG2 . . 5.130 4.377 4.058 4.725 . 0 0 "[ . 1 . 2]" 1
1767 1 82 THR HA 1 106 ARG HG3 . . 4.580 3.764 3.455 4.162 . 0 0 "[ . 1 . 2]" 1
1768 1 82 THR HB 1 83 GLU H . . 4.740 4.040 3.699 4.184 . 0 0 "[ . 1 . 2]" 1
1769 1 82 THR HB 1 84 TYR QE . . 3.170 2.115 1.997 2.484 . 0 0 "[ . 1 . 2]" 1
1770 1 82 THR HB 1 107 THR H . . 4.790 4.585 4.417 4.797 0.007 13 0 "[ . 1 . 2]" 1
1771 1 82 THR HB 1 107 THR HG1 . . 4.090 3.643 3.255 4.090 . 0 0 "[ . 1 . 2]" 1
1772 1 82 THR HB 1 107 THR MG . . 4.750 4.045 3.724 4.384 . 0 0 "[ . 1 . 2]" 1
1773 1 82 THR HG1 1 84 TYR QE . . 4.660 4.303 3.871 4.660 . 11 0 "[ . 1 . 2]" 1
1774 1 82 THR MG 1 83 GLU H . . 3.210 2.214 1.927 2.428 . 0 0 "[ . 1 . 2]" 1
1775 1 82 THR MG 1 84 TYR QE . . 3.550 2.683 2.304 3.052 . 0 0 "[ . 1 . 2]" 1
1776 1 83 GLU H 1 83 GLU HB2 . . 3.230 2.332 2.251 2.455 . 0 0 "[ . 1 . 2]" 1
1777 1 83 GLU H 1 83 GLU HB3 . . 3.200 2.821 2.730 2.867 . 0 0 "[ . 1 . 2]" 1
1778 1 83 GLU H 1 83 GLU HG2 . . 4.840 4.605 4.568 4.649 . 0 0 "[ . 1 . 2]" 1
1779 1 83 GLU H 1 83 GLU QG . . 4.040 3.938 3.890 3.989 . 0 0 "[ . 1 . 2]" 1
1780 1 83 GLU H 1 83 GLU HG3 . . 4.840 4.278 4.200 4.380 . 0 0 "[ . 1 . 2]" 1
1781 1 83 GLU H 1 106 ARG HA . . 4.790 4.131 3.971 4.231 . 0 0 "[ . 1 . 2]" 1
1782 1 83 GLU H 1 106 ARG HG3 . . 4.630 3.630 3.315 3.917 . 0 0 "[ . 1 . 2]" 1
1783 1 83 GLU HA 1 83 GLU HG2 . . 4.070 3.001 2.868 3.138 . 0 0 "[ . 1 . 2]" 1
1784 1 83 GLU HA 1 83 GLU QG . . 3.520 2.217 2.144 2.286 . 0 0 "[ . 1 . 2]" 1
1785 1 83 GLU HA 1 83 GLU HG3 . . 4.070 2.286 2.182 2.394 . 0 0 "[ . 1 . 2]" 1
1786 1 83 GLU HA 1 84 TYR H . . 2.710 2.278 2.236 2.320 . 0 0 "[ . 1 . 2]" 1
1787 1 83 GLU HA 1 104 ALA MB . . 5.010 4.691 4.565 4.856 . 0 0 "[ . 1 . 2]" 1
1788 1 83 GLU HA 1 105 VAL H . . 4.490 3.916 3.779 4.150 . 0 0 "[ . 1 . 2]" 1
1789 1 83 GLU HA 1 106 ARG H . . 4.420 4.228 4.092 4.333 . 0 0 "[ . 1 . 2]" 1
1790 1 83 GLU HA 1 106 ARG HA . . 3.040 2.102 1.997 2.256 . 0 0 "[ . 1 . 2]" 1
1791 1 83 GLU HA 1 106 ARG QB . . 4.400 3.685 3.413 3.961 . 0 0 "[ . 1 . 2]" 1
1792 1 83 GLU HA 1 106 ARG HG3 . . 4.120 3.452 3.121 3.736 . 0 0 "[ . 1 . 2]" 1
1793 1 83 GLU HA 1 107 THR H . . 3.720 3.547 3.290 3.687 . 0 0 "[ . 1 . 2]" 1
1794 1 83 GLU HB2 1 84 TYR H . . 4.400 4.146 4.064 4.225 . 0 0 "[ . 1 . 2]" 1
1795 1 83 GLU HB2 1 104 ALA MB . . 4.780 4.621 4.494 4.727 . 0 0 "[ . 1 . 2]" 1
1796 1 83 GLU HB2 1 106 ARG HA . . 4.640 3.945 3.652 4.169 . 0 0 "[ . 1 . 2]" 1
1797 1 83 GLU HB3 1 106 ARG HA . . 5.030 4.890 4.675 5.014 . 0 0 "[ . 1 . 2]" 1
1798 1 83 GLU QG 1 84 TYR H . . 3.480 2.363 2.198 2.527 . 0 0 "[ . 1 . 2]" 1
1799 1 83 GLU QG 1 104 ALA HA . . 5.300 3.414 3.241 3.527 . 0 0 "[ . 1 . 2]" 1
1800 1 83 GLU QG 1 104 ALA MB . . 3.090 2.119 1.971 2.297 . 0 0 "[ . 1 . 2]" 1
1801 1 83 GLU QG 1 105 VAL H . . 3.940 2.798 2.613 3.069 . 0 0 "[ . 1 . 2]" 1
1802 1 83 GLU QG 1 106 ARG HA . . 4.110 3.139 2.828 3.333 . 0 0 "[ . 1 . 2]" 1
1803 1 83 GLU QG 1 106 ARG QB . . 3.950 3.220 2.852 3.450 . 0 0 "[ . 1 . 2]" 1
1804 1 83 GLU QG 1 106 ARG HG3 . . 4.090 3.985 3.643 4.095 0.005 9 0 "[ . 1 . 2]" 1
1805 1 83 GLU HG2 1 84 TYR H . . 4.100 2.518 2.306 2.782 . 0 0 "[ . 1 . 2]" 1
1806 1 83 GLU HG2 1 104 ALA MB . . 3.570 2.156 1.992 2.358 . 0 0 "[ . 1 . 2]" 1
1807 1 83 GLU HG2 1 105 VAL H . . 4.480 3.031 2.804 3.320 . 0 0 "[ . 1 . 2]" 1
1808 1 83 GLU HG2 1 106 ARG HA . . 4.690 4.584 4.286 4.690 0.000 5 0 "[ . 1 . 2]" 1
1809 1 83 GLU HG3 1 84 TYR H . . 4.100 2.902 2.652 3.122 . 0 0 "[ . 1 . 2]" 1
1810 1 83 GLU HG3 1 104 ALA MB . . 3.570 3.134 2.969 3.509 . 0 0 "[ . 1 . 2]" 1
1811 1 83 GLU HG3 1 105 VAL H . . 4.480 3.313 3.056 3.647 . 0 0 "[ . 1 . 2]" 1
1812 1 83 GLU HG3 1 106 ARG HA . . 4.690 3.198 2.869 3.411 . 0 0 "[ . 1 . 2]" 1
1813 1 84 TYR H 1 84 TYR HB2 . . 3.500 2.784 2.683 2.869 . 0 0 "[ . 1 . 2]" 1
1814 1 84 TYR H 1 84 TYR HB3 . . 4.000 3.831 3.758 3.904 . 0 0 "[ . 1 . 2]" 1
1815 1 84 TYR H 1 84 TYR QD . . 4.010 3.528 3.361 3.724 . 0 0 "[ . 1 . 2]" 1
1816 1 84 TYR H 1 85 SER H . . 4.380 4.206 4.154 4.267 . 0 0 "[ . 1 . 2]" 1
1817 1 84 TYR H 1 104 ALA MB . . 4.710 3.737 3.594 3.908 . 0 0 "[ . 1 . 2]" 1
1818 1 84 TYR H 1 105 VAL H . . 3.550 2.239 2.126 2.395 . 0 0 "[ . 1 . 2]" 1
1819 1 84 TYR H 1 105 VAL MG1 . . 3.980 3.199 2.953 3.332 . 0 0 "[ . 1 . 2]" 1
1820 1 84 TYR H 1 106 ARG HA . . 4.010 3.793 3.615 3.984 . 0 0 "[ . 1 . 2]" 1
1821 1 84 TYR H 1 107 THR H . . 5.170 5.026 4.776 5.169 . 0 0 "[ . 1 . 2]" 1
1822 1 84 TYR HA 1 85 SER H . . 2.690 2.159 2.147 2.177 . 0 0 "[ . 1 . 2]" 1
1823 1 84 TYR HA 1 85 SER HB2 . . 4.740 4.273 4.226 4.348 . 0 0 "[ . 1 . 2]" 1
1824 1 84 TYR HA 1 85 SER HB3 . . 5.040 4.948 4.816 5.028 . 0 0 "[ . 1 . 2]" 1
1825 1 84 TYR HB2 1 85 SER H . . 4.420 4.276 4.172 4.331 . 0 0 "[ . 1 . 2]" 1
1826 1 84 TYR HB2 1 86 PHE QD . . 5.040 4.456 4.189 4.699 . 0 0 "[ . 1 . 2]" 1
1827 1 84 TYR HB2 1 86 PHE QE . . 3.680 2.663 2.368 2.972 . 0 0 "[ . 1 . 2]" 1
1828 1 84 TYR HB2 1 86 PHE HZ . . 4.140 3.183 2.904 3.552 . 0 0 "[ . 1 . 2]" 1
1829 1 84 TYR HB2 1 105 VAL H . . 4.880 3.910 3.662 4.058 . 0 0 "[ . 1 . 2]" 1
1830 1 84 TYR HB2 1 105 VAL MG1 . . 4.670 3.050 2.690 3.198 . 0 0 "[ . 1 . 2]" 1
1831 1 84 TYR HB2 1 107 THR MG . . 5.130 3.957 3.639 4.317 . 0 0 "[ . 1 . 2]" 1
1832 1 84 TYR HB3 1 85 SER H . . 3.520 3.251 3.154 3.338 . 0 0 "[ . 1 . 2]" 1
1833 1 84 TYR HB3 1 85 SER HA . . 5.330 4.785 4.716 4.879 . 0 0 "[ . 1 . 2]" 1
1834 1 84 TYR HB3 1 86 PHE QE . . 4.020 3.173 2.807 3.472 . 0 0 "[ . 1 . 2]" 1
1835 1 84 TYR HB3 1 86 PHE HZ . . 4.300 3.020 2.639 3.328 . 0 0 "[ . 1 . 2]" 1
1836 1 84 TYR QD 1 85 SER H . . 4.500 3.780 3.564 4.038 . 0 0 "[ . 1 . 2]" 1
1837 1 84 TYR QD 1 107 THR H . . 4.620 3.866 3.485 4.154 . 0 0 "[ . 1 . 2]" 1
1838 1 84 TYR QD 1 107 THR MG . . 3.970 2.626 2.188 3.104 . 0 0 "[ . 1 . 2]" 1
1839 1 84 TYR QE 1 107 THR H . . 5.140 4.690 4.049 5.144 0.004 18 0 "[ . 1 . 2]" 1
1840 1 84 TYR QE 1 107 THR HG1 . . 4.570 3.881 3.163 4.459 . 0 0 "[ . 1 . 2]" 1
1841 1 84 TYR QE 1 107 THR MG . . 3.620 3.031 2.272 3.546 . 0 0 "[ . 1 . 2]" 1
1842 1 85 SER H 1 85 SER HB2 . . 3.670 2.416 2.352 2.563 . 0 0 "[ . 1 . 2]" 1
1843 1 85 SER H 1 85 SER HB3 . . 3.500 2.794 2.667 2.867 . 0 0 "[ . 1 . 2]" 1
1844 1 85 SER H 1 104 ALA MB . . 4.820 4.344 4.193 4.498 . 0 0 "[ . 1 . 2]" 1
1845 1 85 SER HA 1 86 PHE H . . 2.740 2.268 2.194 2.363 . 0 0 "[ . 1 . 2]" 1
1846 1 85 SER HA 1 86 PHE HA . . 4.810 4.456 4.417 4.507 . 0 0 "[ . 1 . 2]" 1
1847 1 85 SER HA 1 86 PHE HB2 . . 4.720 4.410 4.342 4.476 . 0 0 "[ . 1 . 2]" 1
1848 1 85 SER HA 1 86 PHE QD . . 3.960 3.855 3.479 3.965 0.005 11 0 "[ . 1 . 2]" 1
1849 1 85 SER HA 1 86 PHE QE . . 5.300 4.995 4.590 5.151 . 0 0 "[ . 1 . 2]" 1
1850 1 85 SER HA 1 102 ASP QB . . 5.500 4.064 3.859 4.202 . 0 0 "[ . 1 . 2]" 1
1851 1 85 SER HA 1 103 VAL H . . 4.400 3.688 3.495 3.874 . 0 0 "[ . 1 . 2]" 1
1852 1 85 SER HA 1 103 VAL QG . . 4.860 4.575 4.428 4.725 . 0 0 "[ . 1 . 2]" 1
1853 1 85 SER HA 1 104 ALA H . . 4.820 3.726 3.620 3.832 . 0 0 "[ . 1 . 2]" 1
1854 1 85 SER HA 1 104 ALA HA . . 3.010 2.040 1.991 2.194 . 0 0 "[ . 1 . 2]" 1
1855 1 85 SER HA 1 104 ALA MB . . 3.520 3.043 2.932 3.173 . 0 0 "[ . 1 . 2]" 1
1856 1 85 SER HA 1 105 VAL H . . 3.930 3.768 3.619 3.905 . 0 0 "[ . 1 . 2]" 1
1857 1 85 SER HB2 1 86 PHE H . . 4.300 4.150 4.009 4.284 . 0 0 "[ . 1 . 2]" 1
1858 1 85 SER HB2 1 102 ASP QB . . 4.050 4.001 3.923 4.079 0.029 10 0 "[ . 1 . 2]" 1
1859 1 85 SER HB2 1 104 ALA HA . . 4.460 4.040 3.893 4.204 . 0 0 "[ . 1 . 2]" 1
1860 1 85 SER HB2 1 104 ALA MB . . 3.790 3.555 3.447 3.633 . 0 0 "[ . 1 . 2]" 1
1861 1 85 SER HB3 1 86 PHE H . . 4.020 3.596 3.377 3.843 . 0 0 "[ . 1 . 2]" 1
1862 1 85 SER HB3 1 102 ASP QB . . 4.270 4.041 3.900 4.174 . 0 0 "[ . 1 . 2]" 1
1863 1 85 SER HB3 1 104 ALA HA . . 5.050 4.925 4.838 5.046 . 0 0 "[ . 1 . 2]" 1
1864 1 85 SER HB3 1 104 ALA MB . . 4.830 4.816 4.754 4.842 0.012 6 0 "[ . 1 . 2]" 1
1865 1 86 PHE H 1 86 PHE HB2 . . 3.460 2.799 2.703 2.923 . 0 0 "[ . 1 . 2]" 1
1866 1 86 PHE H 1 86 PHE HB3 . . 3.990 3.868 3.816 3.937 . 0 0 "[ . 1 . 2]" 1
1867 1 86 PHE H 1 86 PHE QD . . 3.620 3.494 3.293 3.620 0.000 10 0 "[ . 1 . 2]" 1
1868 1 86 PHE H 1 86 PHE QE . . 5.500 5.290 5.150 5.392 . 0 0 "[ . 1 . 2]" 1
1869 1 86 PHE H 1 87 ARG H . . 4.340 4.302 4.194 4.361 0.021 11 0 "[ . 1 . 2]" 1
1870 1 86 PHE H 1 87 ARG HA . . 5.500 4.897 4.831 4.945 . 0 0 "[ . 1 . 2]" 1
1871 1 86 PHE H 1 102 ASP HA . . 4.310 3.644 3.373 3.934 . 0 0 "[ . 1 . 2]" 1
1872 1 86 PHE H 1 102 ASP QB . . 4.410 3.761 3.332 4.124 . 0 0 "[ . 1 . 2]" 1
1873 1 86 PHE H 1 103 VAL H . . 3.300 2.027 1.832 2.258 . 0 0 "[ . 1 . 2]" 1
1874 1 86 PHE H 1 103 VAL HB . . 4.870 3.186 2.850 3.450 . 0 0 "[ . 1 . 2]" 1
1875 1 86 PHE H 1 103 VAL QG . . 4.080 3.742 3.526 3.913 . 0 0 "[ . 1 . 2]" 1
1876 1 86 PHE H 1 104 ALA HA . . 4.040 3.676 3.396 3.905 . 0 0 "[ . 1 . 2]" 1
1877 1 86 PHE H 1 104 ALA MB . . 4.680 4.523 4.349 4.651 . 0 0 "[ . 1 . 2]" 1
1878 1 86 PHE H 1 105 VAL MG1 . . 5.500 5.259 4.876 5.496 . 0 0 "[ . 1 . 2]" 1
1879 1 86 PHE HA 1 86 PHE QD . . 3.720 2.608 2.510 2.770 . 0 0 "[ . 1 . 2]" 1
1880 1 86 PHE HA 1 86 PHE QE . . 5.050 4.512 4.461 4.598 . 0 0 "[ . 1 . 2]" 1
1881 1 86 PHE HA 1 87 ARG H . . 2.770 2.196 2.163 2.219 . 0 0 "[ . 1 . 2]" 1
1882 1 86 PHE HA 1 87 ARG HA . . 5.000 4.437 4.419 4.451 . 0 0 "[ . 1 . 2]" 1
1883 1 86 PHE HB2 1 87 ARG H . . 4.490 4.094 4.037 4.163 . 0 0 "[ . 1 . 2]" 1
1884 1 86 PHE HB2 1 103 VAL H . . 4.370 3.653 3.364 3.898 . 0 0 "[ . 1 . 2]" 1
1885 1 86 PHE HB2 1 103 VAL HB . . 4.230 2.334 2.160 2.589 . 0 0 "[ . 1 . 2]" 1
1886 1 86 PHE HB2 1 103 VAL QG . . 3.450 2.983 2.839 3.145 . 0 0 "[ . 1 . 2]" 1
1887 1 86 PHE HB3 1 87 ARG H . . 3.580 3.048 2.951 3.209 . 0 0 "[ . 1 . 2]" 1
1888 1 86 PHE HB3 1 88 VAL MG2 . . 4.660 4.351 4.110 4.526 . 0 0 "[ . 1 . 2]" 1
1889 1 86 PHE HB3 1 103 VAL H . . 4.950 4.767 4.526 4.952 0.002 11 0 "[ . 1 . 2]" 1
1890 1 86 PHE HB3 1 103 VAL HB . . 4.960 3.706 3.596 3.827 . 0 0 "[ . 1 . 2]" 1
1891 1 86 PHE HB3 1 103 VAL QG . . 4.040 4.021 3.924 4.050 0.010 7 0 "[ . 1 . 2]" 1
1892 1 86 PHE QD 1 87 ARG H . . 4.420 3.763 3.644 3.950 . 0 0 "[ . 1 . 2]" 1
1893 1 86 PHE QD 1 103 VAL H . . 5.030 4.779 4.483 5.029 . 0 0 "[ . 1 . 2]" 1
1894 1 86 PHE QD 1 103 VAL HB . . 4.970 3.740 3.511 4.112 . 0 0 "[ . 1 . 2]" 1
1895 1 86 PHE QD 1 104 ALA HA . . 4.270 3.969 3.784 4.174 . 0 0 "[ . 1 . 2]" 1
1896 1 86 PHE QD 1 105 VAL H . . 4.390 3.911 3.691 4.209 . 0 0 "[ . 1 . 2]" 1
1897 1 86 PHE QD 1 105 VAL HB . . 5.060 3.856 3.634 4.153 . 0 0 "[ . 1 . 2]" 1
1898 1 86 PHE QD 1 105 VAL MG1 . . 3.430 2.536 2.179 2.898 . 0 0 "[ . 1 . 2]" 1
1899 1 86 PHE QD 1 105 VAL MG2 . . 5.230 4.886 4.709 5.150 . 0 0 "[ . 1 . 2]" 1
1900 1 86 PHE QE 1 104 ALA HA . . 5.170 4.912 4.554 5.142 . 0 0 "[ . 1 . 2]" 1
1901 1 86 PHE QE 1 105 VAL H . . 4.060 3.884 3.689 4.059 . 0 0 "[ . 1 . 2]" 1
1902 1 86 PHE QE 1 105 VAL HB . . 4.270 4.237 4.098 4.301 0.031 7 0 "[ . 1 . 2]" 1
1903 1 86 PHE QE 1 105 VAL MG1 . . 3.310 1.922 1.857 2.054 . 0 0 "[ . 1 . 2]" 1
1904 1 86 PHE QE 1 105 VAL MG2 . . 4.670 4.449 4.310 4.652 . 0 0 "[ . 1 . 2]" 1
1905 1 86 PHE HZ 1 107 THR MG . . 5.000 4.730 4.567 4.917 . 0 0 "[ . 1 . 2]" 1
1906 1 87 ARG H 1 87 ARG HG2 . . 4.070 2.823 2.591 3.907 . 0 0 "[ . 1 . 2]" 1
1907 1 87 ARG H 1 87 ARG QG . . 3.400 2.545 2.434 2.681 . 0 0 "[ . 1 . 2]" 1
1908 1 87 ARG H 1 87 ARG HG3 . . 4.070 2.992 2.483 3.330 . 0 0 "[ . 1 . 2]" 1
1909 1 87 ARG H 1 88 VAL H . . 4.820 4.259 4.137 4.397 . 0 0 "[ . 1 . 2]" 1
1910 1 87 ARG H 1 88 VAL MG2 . . 4.860 4.157 3.951 4.362 . 0 0 "[ . 1 . 2]" 1
1911 1 87 ARG H 1 103 VAL HB . . 5.500 5.217 5.089 5.433 . 0 0 "[ . 1 . 2]" 1
1912 1 87 ARG HA 1 88 VAL H . . 2.860 2.202 2.149 2.377 . 0 0 "[ . 1 . 2]" 1
1913 1 87 ARG HA 1 88 VAL HB . . 4.870 4.569 4.447 4.639 . 0 0 "[ . 1 . 2]" 1
1914 1 87 ARG HA 1 88 VAL MG2 . . 4.540 3.631 3.316 3.869 . 0 0 "[ . 1 . 2]" 1
1915 1 87 ARG HA 1 102 ASP HA . . 4.530 3.918 3.594 4.217 . 0 0 "[ . 1 . 2]" 1
1916 1 87 ARG HB2 1 88 VAL H . . 3.550 3.060 2.496 3.340 . 0 0 "[ . 1 . 2]" 1
1917 1 87 ARG HB2 1 99 SER HG . . 4.440 2.768 2.368 3.135 . 0 0 "[ . 1 . 2]" 1
1918 1 87 ARG HB2 1 100 THR H . . 4.480 4.036 3.760 4.386 . 0 0 "[ . 1 . 2]" 1
1919 1 87 ARG HB2 1 102 ASP HA . . 4.230 4.111 3.843 4.235 0.005 6 0 "[ . 1 . 2]" 1
1920 1 87 ARG HB3 1 87 ARG QD . . 3.650 2.755 2.487 3.213 . 0 0 "[ . 1 . 2]" 1
1921 1 87 ARG HB3 1 88 VAL H . . 4.490 4.113 3.797 4.231 . 0 0 "[ . 1 . 2]" 1
1922 1 87 ARG HB3 1 99 SER HG . . 4.630 4.259 3.833 4.580 . 0 0 "[ . 1 . 2]" 1
1923 1 87 ARG HB3 1 102 ASP HA . . 3.700 2.707 2.483 2.969 . 0 0 "[ . 1 . 2]" 1
1924 1 87 ARG HB3 1 103 VAL H . . 4.480 3.950 3.663 4.192 . 0 0 "[ . 1 . 2]" 1
1925 1 87 ARG QD 1 99 SER QB . . 4.230 3.587 3.219 4.066 . 0 0 "[ . 1 . 2]" 1
1926 1 87 ARG HD2 1 87 ARG QH1 . . 4.000 2.357 1.927 3.426 . 0 0 "[ . 1 . 2]" 1
1927 1 87 ARG HD2 1 99 SER HG . . 4.900 3.488 2.258 4.265 . 0 0 "[ . 1 . 2]" 1
1928 1 87 ARG HD3 1 87 ARG QH1 . . 4.000 2.188 1.909 2.577 . 0 0 "[ . 1 . 2]" 1
1929 1 87 ARG HD3 1 99 SER HG . . 4.900 3.141 2.360 4.716 . 0 0 "[ . 1 . 2]" 1
1930 1 87 ARG QG 1 87 ARG QH1 . . 4.380 3.741 2.135 3.844 . 0 0 "[ . 1 . 2]" 1
1931 1 87 ARG QG 1 88 VAL H . . 4.550 3.996 3.464 4.366 . 0 0 "[ . 1 . 2]" 1
1932 1 87 ARG QH1 1 89 VAL MG2 . . 4.130 3.735 3.052 4.131 0.001 9 0 "[ . 1 . 2]" 1
1933 1 87 ARG QH1 1 99 SER HB2 . . 4.380 3.564 2.879 4.078 . 0 0 "[ . 1 . 2]" 1
1934 1 87 ARG QH1 1 99 SER QB . . 3.820 3.074 2.608 3.577 . 0 0 "[ . 1 . 2]" 1
1935 1 87 ARG QH1 1 99 SER HB3 . . 4.380 3.384 2.869 3.959 . 0 0 "[ . 1 . 2]" 1
1936 1 88 VAL H 1 88 VAL HB . . 3.300 2.542 2.382 2.716 . 0 0 "[ . 1 . 2]" 1
1937 1 88 VAL H 1 88 VAL MG1 . . 4.620 3.805 3.711 3.878 . 0 0 "[ . 1 . 2]" 1
1938 1 88 VAL H 1 88 VAL MG2 . . 3.820 2.704 2.500 2.965 . 0 0 "[ . 1 . 2]" 1
1939 1 88 VAL H 1 89 VAL H . . 4.790 4.484 4.337 4.564 . 0 0 "[ . 1 . 2]" 1
1940 1 88 VAL H 1 100 THR H . . 3.860 3.726 3.355 3.877 0.017 7 0 "[ . 1 . 2]" 1
1941 1 88 VAL H 1 100 THR MG . . 3.660 3.436 3.089 3.667 0.007 11 0 "[ . 1 . 2]" 1
1942 1 88 VAL HA 1 88 VAL MG1 . . 3.450 2.392 2.318 2.490 . 0 0 "[ . 1 . 2]" 1
1943 1 88 VAL HA 1 88 VAL MG2 . . 3.330 2.342 2.256 2.446 . 0 0 "[ . 1 . 2]" 1
1944 1 88 VAL HA 1 89 VAL H . . 2.860 2.200 2.149 2.260 . 0 0 "[ . 1 . 2]" 1
1945 1 88 VAL HA 1 89 VAL HA . . 4.770 4.415 4.397 4.441 . 0 0 "[ . 1 . 2]" 1
1946 1 88 VAL HA 1 89 VAL HB . . 4.620 4.552 4.454 4.622 0.002 8 0 "[ . 1 . 2]" 1
1947 1 88 VAL HA 1 89 VAL MG2 . . 4.550 3.623 3.440 3.792 . 0 0 "[ . 1 . 2]" 1
1948 1 88 VAL HA 1 100 THR MG . . 5.490 5.085 4.784 5.364 . 0 0 "[ . 1 . 2]" 1
1949 1 88 VAL HB 1 89 VAL H . . 4.800 4.051 3.884 4.239 . 0 0 "[ . 1 . 2]" 1
1950 1 88 VAL HB 1 100 THR H . . 4.640 4.496 4.234 4.654 0.014 16 0 "[ . 1 . 2]" 1
1951 1 88 VAL HB 1 100 THR MG . . 3.090 2.883 2.544 3.103 0.013 10 0 "[ . 1 . 2]" 1
1952 1 88 VAL MG1 1 89 VAL H . . 3.540 2.225 1.910 2.592 . 0 0 "[ . 1 . 2]" 1
1953 1 88 VAL MG1 1 89 VAL HA . . 4.460 3.504 3.298 3.641 . 0 0 "[ . 1 . 2]" 1
1954 1 88 VAL MG1 1 89 VAL MG2 . . 4.790 4.132 3.983 4.251 . 0 0 "[ . 1 . 2]" 1
1955 1 88 VAL MG1 1 90 ALA H . . 4.730 4.212 3.936 4.350 . 0 0 "[ . 1 . 2]" 1
1956 1 88 VAL MG1 1 90 ALA HA . . 5.240 4.162 3.989 4.360 . 0 0 "[ . 1 . 2]" 1
1957 1 88 VAL MG1 1 90 ALA MB . . 4.310 4.146 3.965 4.303 . 0 0 "[ . 1 . 2]" 1
1958 1 88 VAL MG1 1 100 THR H . . 5.090 4.879 4.558 5.076 . 0 0 "[ . 1 . 2]" 1
1959 1 88 VAL MG1 1 100 THR MG . . 4.020 3.729 3.385 4.021 0.001 9 0 "[ . 1 . 2]" 1
1960 1 88 VAL MG2 1 89 VAL H . . 4.100 3.903 3.700 4.052 . 0 0 "[ . 1 . 2]" 1
1961 1 88 VAL MG2 1 100 THR MG . . 4.130 3.928 3.712 4.104 . 0 0 "[ . 1 . 2]" 1
1962 1 89 VAL H 1 89 VAL HB . . 3.470 2.701 2.616 2.830 . 0 0 "[ . 1 . 2]" 1
1963 1 89 VAL H 1 89 VAL MG1 . . 3.940 3.868 3.819 3.932 . 0 0 "[ . 1 . 2]" 1
1964 1 89 VAL H 1 89 VAL MG2 . . 3.580 2.905 2.744 3.118 . 0 0 "[ . 1 . 2]" 1
1965 1 89 VAL HA 1 89 VAL MG1 . . 3.340 2.383 2.243 2.483 . 0 0 "[ . 1 . 2]" 1
1966 1 89 VAL HA 1 89 VAL MG2 . . 3.370 2.337 2.231 2.438 . 0 0 "[ . 1 . 2]" 1
1967 1 89 VAL HA 1 90 ALA H . . 3.120 2.180 2.157 2.227 . 0 0 "[ . 1 . 2]" 1
1968 1 89 VAL HA 1 90 ALA MB . . 4.480 3.950 3.889 3.982 . 0 0 "[ . 1 . 2]" 1
1969 1 89 VAL HA 1 99 SER HA . . 4.070 3.153 2.761 3.408 . 0 0 "[ . 1 . 2]" 1
1970 1 89 VAL HA 1 100 THR H . . 4.510 3.748 3.477 4.018 . 0 0 "[ . 1 . 2]" 1
1971 1 89 VAL HB 1 91 TYR QE . . 3.960 2.378 2.157 2.638 . 0 0 "[ . 1 . 2]" 1
1972 1 89 VAL MG1 1 90 ALA H . . 3.770 2.291 2.080 2.599 . 0 0 "[ . 1 . 2]" 1
1973 1 89 VAL MG1 1 91 TYR H . . 5.500 4.411 4.095 4.802 . 0 0 "[ . 1 . 2]" 1
1974 1 89 VAL MG1 1 91 TYR QD . . 5.110 3.024 2.793 3.488 . 0 0 "[ . 1 . 2]" 1
1975 1 89 VAL MG1 1 91 TYR QE . . 3.850 2.437 2.035 2.808 . 0 0 "[ . 1 . 2]" 1
1976 1 89 VAL MG1 1 96 PRO HA . . 3.910 3.275 3.013 3.685 . 0 0 "[ . 1 . 2]" 1
1977 1 89 VAL MG1 1 96 PRO HB2 . . 3.910 2.971 2.360 3.240 . 0 0 "[ . 1 . 2]" 1
1978 1 89 VAL MG1 1 96 PRO QB . . 3.070 2.692 2.222 2.928 . 0 0 "[ . 1 . 2]" 1
1979 1 89 VAL MG1 1 96 PRO HB3 . . 3.910 3.090 2.710 3.339 . 0 0 "[ . 1 . 2]" 1
1980 1 89 VAL MG1 1 96 PRO HG2 . . 5.180 4.883 4.274 5.147 . 0 0 "[ . 1 . 2]" 1
1981 1 89 VAL MG1 1 96 PRO QG . . 4.540 4.301 3.803 4.547 0.007 12 0 "[ . 1 . 2]" 1
1982 1 89 VAL MG1 1 96 PRO HG3 . . 5.180 4.779 4.262 5.075 . 0 0 "[ . 1 . 2]" 1
1983 1 89 VAL MG1 1 97 GLY H . . 3.990 3.479 2.849 3.979 . 0 0 "[ . 1 . 2]" 1
1984 1 89 VAL MG1 1 97 GLY HA3 . . 5.040 4.608 4.067 5.058 0.018 9 0 "[ . 1 . 2]" 1
1985 1 89 VAL MG2 1 90 ALA H . . 4.640 3.956 3.849 4.034 . 0 0 "[ . 1 . 2]" 1
1986 1 89 VAL MG2 1 91 TYR QE . . 4.520 3.606 3.389 3.954 . 0 0 "[ . 1 . 2]" 1
1987 1 89 VAL MG2 1 99 SER HA . . 3.270 2.661 2.277 3.074 . 0 0 "[ . 1 . 2]" 1
1988 1 89 VAL MG2 1 99 SER HB2 . . 4.170 2.472 2.068 3.022 . 0 0 "[ . 1 . 2]" 1
1989 1 89 VAL MG2 1 99 SER QB . . 3.380 2.439 2.047 2.950 . 0 0 "[ . 1 . 2]" 1
1990 1 89 VAL MG2 1 99 SER HB3 . . 4.170 3.791 3.283 4.159 . 0 0 "[ . 1 . 2]" 1
1991 1 89 VAL MG2 1 100 THR H . . 3.820 3.487 3.113 3.828 0.008 18 0 "[ . 1 . 2]" 1
1992 1 90 ALA H 1 90 ALA MB . . 3.320 2.234 2.139 2.301 . 0 0 "[ . 1 . 2]" 1
1993 1 90 ALA H 1 91 TYR QE . . 5.500 5.373 5.171 5.506 0.006 18 0 "[ . 1 . 2]" 1
1994 1 90 ALA H 1 97 GLY H . . 4.650 4.153 3.620 4.618 . 0 0 "[ . 1 . 2]" 1
1995 1 90 ALA HA 1 91 TYR H . . 3.100 2.165 2.142 2.240 . 0 0 "[ . 1 . 2]" 1
1996 1 90 ALA MB 1 91 TYR H . . 3.760 3.078 2.867 3.309 . 0 0 "[ . 1 . 2]" 1
1997 1 91 TYR H 1 91 TYR HB2 . . 4.060 2.461 2.325 2.559 . 0 0 "[ . 1 . 2]" 1
1998 1 91 TYR H 1 91 TYR QB . . 3.410 2.423 2.297 2.513 . 0 0 "[ . 1 . 2]" 1
1999 1 91 TYR H 1 91 TYR HB3 . . 4.060 3.633 3.568 3.688 . 0 0 "[ . 1 . 2]" 1
2000 1 91 TYR H 1 91 TYR QD . . 3.720 3.164 2.718 3.448 . 0 0 "[ . 1 . 2]" 1
2001 1 91 TYR H 1 91 TYR QE . . 5.500 5.313 4.939 5.492 . 0 0 "[ . 1 . 2]" 1
2002 1 91 TYR HA 1 92 ASN H . . 2.870 2.150 2.139 2.219 . 0 0 "[ . 1 . 2]" 1
2003 1 91 TYR HA 1 95 GLY H . . 5.110 4.884 4.498 5.093 . 0 0 "[ . 1 . 2]" 1
2004 1 91 TYR HA 1 96 PRO HA . . 3.520 2.632 2.147 2.915 . 0 0 "[ . 1 . 2]" 1
2005 1 91 TYR HA 1 97 GLY H . . 4.310 3.808 3.316 4.310 0.000 7 0 "[ . 1 . 2]" 1
2006 1 91 TYR HB2 1 92 ASN H . . 4.720 4.474 4.192 4.535 . 0 0 "[ . 1 . 2]" 1
2007 1 91 TYR HB3 1 92 ASN H . . 4.720 3.615 3.013 3.762 . 0 0 "[ . 1 . 2]" 1
2008 1 91 TYR QD 1 92 ASN H . . 4.800 4.137 3.456 4.515 . 0 0 "[ . 1 . 2]" 1
2009 1 91 TYR QD 1 95 GLY HA2 . . 4.420 4.181 3.596 4.420 0.000 15 0 "[ . 1 . 2]" 1
2010 1 91 TYR QD 1 96 PRO HA . . 5.330 3.702 3.428 3.949 . 0 0 "[ . 1 . 2]" 1
2011 1 91 TYR QD 1 96 PRO HD3 . . 4.570 3.254 2.961 3.448 . 0 0 "[ . 1 . 2]" 1
2012 1 91 TYR QE 1 96 PRO HA . . 4.360 4.147 3.713 4.363 0.003 13 0 "[ . 1 . 2]" 1
2013 1 91 TYR QE 1 96 PRO HB2 . . 4.920 3.900 3.760 4.052 . 0 0 "[ . 1 . 2]" 1
2014 1 91 TYR QE 1 96 PRO HB3 . . 4.920 2.515 2.235 2.738 . 0 0 "[ . 1 . 2]" 1
2015 1 91 TYR QE 1 96 PRO HD2 . . 4.840 4.643 4.473 4.844 0.004 18 0 "[ . 1 . 2]" 1
2016 1 91 TYR QE 1 96 PRO HD3 . . 3.710 3.136 2.852 3.395 . 0 0 "[ . 1 . 2]" 1
2017 1 91 TYR QE 1 96 PRO QG . . 4.190 2.830 2.445 3.083 . 0 0 "[ . 1 . 2]" 1
2018 1 92 ASN H 1 92 ASN QB . . 3.610 2.776 2.277 3.074 . 0 0 "[ . 1 . 2]" 1
2019 1 92 ASN H 1 94 HIS H . . 4.780 4.515 4.194 4.784 0.004 9 0 "[ . 1 . 2]" 1
2020 1 92 ASN H 1 94 HIS HB2 . . 5.500 4.795 4.524 5.171 . 0 0 "[ . 1 . 2]" 1
2021 1 92 ASN H 1 95 GLY H . . 3.350 3.203 2.980 3.357 0.007 8 0 "[ . 1 . 2]" 1
2022 1 92 ASN H 1 95 GLY HA2 . . 4.490 4.013 3.823 4.209 . 0 0 "[ . 1 . 2]" 1
2023 1 92 ASN H 1 96 PRO HA . . 4.790 3.770 3.302 4.136 . 0 0 "[ . 1 . 2]" 1
2024 1 92 ASN HA 1 93 LYS HA . . 5.160 4.298 4.293 4.307 . 0 0 "[ . 1 . 2]" 1
2025 1 92 ASN HA 1 94 HIS H . . 4.840 4.335 4.059 4.680 . 0 0 "[ . 1 . 2]" 1
2026 1 92 ASN QB 1 93 LYS H . . 3.640 2.380 2.120 2.692 . 0 0 "[ . 1 . 2]" 1
2027 1 92 ASN QB 1 95 GLY H . . 4.530 3.647 2.809 4.272 . 0 0 "[ . 1 . 2]" 1
2028 1 92 ASN HB2 1 93 LYS H . . 4.410 2.911 2.134 4.040 . 0 0 "[ . 1 . 2]" 1
2029 1 92 ASN HB3 1 93 LYS H . . 4.410 3.237 2.232 3.874 . 0 0 "[ . 1 . 2]" 1
2030 1 92 ASN QD 1 94 HIS HB2 . . 5.340 3.443 1.961 5.078 . 0 0 "[ . 1 . 2]" 1
2031 1 92 ASN QD 1 94 HIS HD2 . . 3.990 2.456 1.859 3.473 . 0 0 "[ . 1 . 2]" 1
2032 1 92 ASN HD21 1 94 HIS HD2 . . 4.740 2.747 2.195 3.572 . 0 0 "[ . 1 . 2]" 1
2033 1 92 ASN HD22 1 94 HIS HD2 . . 4.740 3.209 1.901 4.742 0.002 8 0 "[ . 1 . 2]" 1
2034 1 93 LYS H 1 93 LYS QD . . 5.140 3.733 1.860 4.365 . 0 0 "[ . 1 . 2]" 1
2035 1 93 LYS H 1 93 LYS QG . . 4.160 2.402 2.070 3.199 . 0 0 "[ . 1 . 2]" 1
2036 1 93 LYS H 1 94 HIS H . . 4.000 2.943 2.840 3.077 . 0 0 "[ . 1 . 2]" 1
2037 1 93 LYS HA 1 93 LYS QD . . 4.710 4.210 3.682 4.414 . 0 0 "[ . 1 . 2]" 1
2038 1 93 LYS HA 1 95 GLY H . . 5.280 5.128 4.833 5.311 0.031 12 0 "[ . 1 . 2]" 1
2039 1 93 LYS QB 1 93 LYS QE . . 3.820 2.678 1.982 3.624 . 0 0 "[ . 1 . 2]" 1
2040 1 93 LYS HB2 1 94 HIS H . . 4.480 3.741 3.453 4.007 . 0 0 "[ . 1 . 2]" 1
2041 1 93 LYS HB3 1 94 HIS H . . 4.480 3.913 3.806 4.071 . 0 0 "[ . 1 . 2]" 1
2042 1 93 LYS QD 1 94 HIS H . . 4.900 3.755 2.555 4.333 . 0 0 "[ . 1 . 2]" 1
2043 1 93 LYS QD 1 94 HIS HE1 . . 4.960 3.494 2.527 4.944 . 0 0 "[ . 1 . 2]" 1
2044 1 93 LYS QE 1 93 LYS HG2 . . 3.770 2.605 2.099 3.287 . 0 0 "[ . 1 . 2]" 1
2045 1 93 LYS QE 1 93 LYS QG . . 3.290 2.238 2.076 2.538 . 0 0 "[ . 1 . 2]" 1
2046 1 93 LYS QE 1 93 LYS HG3 . . 3.770 2.822 2.101 3.483 . 0 0 "[ . 1 . 2]" 1
2047 1 93 LYS QE 1 94 HIS HE1 . . 4.670 3.772 2.222 4.665 . 0 0 "[ . 1 . 2]" 1
2048 1 93 LYS QG 1 94 HIS H . . 3.580 2.022 1.841 2.261 . 0 0 "[ . 1 . 2]" 1
2049 1 93 LYS QG 1 94 HIS HD2 . . 4.690 3.336 2.292 4.170 . 0 0 "[ . 1 . 2]" 1
2050 1 93 LYS QG 1 94 HIS HE1 . . 4.610 3.674 2.927 4.540 . 0 0 "[ . 1 . 2]" 1
2051 1 93 LYS HG2 1 94 HIS H . . 4.180 2.539 1.984 3.648 . 0 0 "[ . 1 . 2]" 1
2052 1 93 LYS HG2 1 94 HIS HD2 . . 5.500 3.730 2.388 4.989 . 0 0 "[ . 1 . 2]" 1
2053 1 93 LYS HG3 1 94 HIS H . . 4.180 2.393 1.901 3.912 . 0 0 "[ . 1 . 2]" 1
2054 1 93 LYS HG3 1 94 HIS HD2 . . 5.500 3.969 2.956 5.470 . 0 0 "[ . 1 . 2]" 1
2055 1 94 HIS H 1 94 HIS HB2 . . 3.210 2.658 2.434 2.819 . 0 0 "[ . 1 . 2]" 1
2056 1 94 HIS H 1 94 HIS HB3 . . 4.040 3.585 3.553 3.607 . 0 0 "[ . 1 . 2]" 1
2057 1 94 HIS H 1 94 HIS HD2 . . 3.910 2.964 1.974 3.906 . 0 0 "[ . 1 . 2]" 1
2058 1 94 HIS H 1 95 GLY H . . 3.120 2.896 2.605 3.101 . 0 0 "[ . 1 . 2]" 1
2059 1 94 HIS HB2 1 95 GLY H . . 3.590 2.089 1.927 2.343 . 0 0 "[ . 1 . 2]" 1
2060 1 94 HIS HB3 1 95 GLY H . . 4.600 3.334 2.959 3.642 . 0 0 "[ . 1 . 2]" 1
2061 1 94 HIS HD2 1 95 GLY H . . 4.670 4.160 3.695 4.625 . 0 0 "[ . 1 . 2]" 1
2062 1 95 GLY HA2 1 96 PRO HD2 . . 3.560 2.753 2.565 3.016 . 0 0 "[ . 1 . 2]" 1
2063 1 95 GLY HA2 1 96 PRO HD3 . . 3.400 2.508 2.378 2.726 . 0 0 "[ . 1 . 2]" 1
2064 1 95 GLY HA2 1 96 PRO QG . . 4.960 4.245 4.109 4.448 . 0 0 "[ . 1 . 2]" 1
2065 1 95 GLY HA3 1 96 PRO HD2 . . 3.380 2.290 2.076 2.461 . 0 0 "[ . 1 . 2]" 1
2066 1 95 GLY HA3 1 96 PRO HD3 . . 3.500 3.168 2.909 3.349 . 0 0 "[ . 1 . 2]" 1
2067 1 95 GLY HA3 1 96 PRO HG2 . . 5.170 4.359 4.207 4.487 . 0 0 "[ . 1 . 2]" 1
2068 1 95 GLY HA3 1 96 PRO HG3 . . 5.170 4.885 4.658 5.055 . 0 0 "[ . 1 . 2]" 1
2069 1 96 PRO HA 1 97 GLY H . . 3.110 2.193 2.155 2.344 . 0 0 "[ . 1 . 2]" 1
2070 1 96 PRO HB2 1 97 GLY H . . 4.480 3.815 3.483 4.195 . 0 0 "[ . 1 . 2]" 1
2071 1 96 PRO HB3 1 97 GLY H . . 4.480 4.205 3.969 4.497 0.017 18 0 "[ . 1 . 2]" 1
2072 1 97 GLY HA2 1 98 VAL H . . 3.360 2.896 2.566 3.323 . 0 0 "[ . 1 . 2]" 1
2073 1 97 GLY HA3 1 98 VAL H . . 3.240 2.316 2.137 2.560 . 0 0 "[ . 1 . 2]" 1
2074 1 97 GLY HA3 1 98 VAL MG2 . . 4.790 3.714 3.439 3.960 . 0 0 "[ . 1 . 2]" 1
2075 1 98 VAL H 1 98 VAL HB . . 3.760 3.631 3.607 3.703 . 0 0 "[ . 1 . 2]" 1
2076 1 98 VAL H 1 98 VAL MG2 . . 3.210 2.220 1.858 2.571 . 0 0 "[ . 1 . 2]" 1
2077 1 98 VAL H 1 99 SER H . . 5.380 4.580 4.453 4.649 . 0 0 "[ . 1 . 2]" 1
2078 1 98 VAL HA 1 98 VAL MG2 . . 3.200 3.189 3.180 3.201 0.001 18 0 "[ . 1 . 2]" 1
2079 1 98 VAL HA 1 99 SER H . . 2.870 2.529 2.369 2.645 . 0 0 "[ . 1 . 2]" 1
2080 1 98 VAL HA 1 99 SER HB2 . . 4.800 4.399 4.225 4.560 . 0 0 "[ . 1 . 2]" 1
2081 1 98 VAL HA 1 99 SER QB . . 4.150 3.969 3.927 3.994 . 0 0 "[ . 1 . 2]" 1
2082 1 98 VAL HA 1 99 SER HB3 . . 4.800 4.525 4.386 4.690 . 0 0 "[ . 1 . 2]" 1
2083 1 98 VAL HB 1 99 SER H . . 3.610 2.140 1.901 2.483 . 0 0 "[ . 1 . 2]" 1
2084 1 98 VAL HB 1 99 SER QB . . 5.060 4.433 4.291 4.666 . 0 0 "[ . 1 . 2]" 1
2085 1 98 VAL MG2 1 99 SER H . . 3.480 3.205 2.730 3.482 0.002 16 0 "[ . 1 . 2]" 1
2086 1 98 VAL MG2 1 100 THR HA . . 4.820 4.494 4.037 4.824 0.004 18 0 "[ . 1 . 2]" 1
2087 1 99 SER H 1 99 SER HB2 . . 3.330 3.234 3.112 3.330 0.000 3 0 "[ . 1 . 2]" 1
2088 1 99 SER H 1 99 SER QB . . 2.830 2.545 2.447 2.674 . 0 0 "[ . 1 . 2]" 1
2089 1 99 SER H 1 99 SER HB3 . . 3.330 2.665 2.529 2.817 . 0 0 "[ . 1 . 2]" 1
2090 1 99 SER H 1 100 THR H . . 4.390 4.268 3.923 4.399 0.009 18 0 "[ . 1 . 2]" 1
2091 1 99 SER HA 1 100 THR H . . 2.740 2.161 2.138 2.244 . 0 0 "[ . 1 . 2]" 1
2092 1 99 SER QB 1 100 THR H . . 3.920 3.751 3.532 3.934 0.014 6 0 "[ . 1 . 2]" 1
2093 1 99 SER HB2 1 100 THR H . . 4.480 4.183 3.987 4.416 . 0 0 "[ . 1 . 2]" 1
2094 1 99 SER HB3 1 100 THR H . . 4.480 4.242 3.942 4.416 . 0 0 "[ . 1 . 2]" 1
2095 1 99 SER HG 1 100 THR H . . 3.400 2.735 2.082 3.324 . 0 0 "[ . 1 . 2]" 1
2096 1 100 THR H 1 100 THR MG . . 2.980 2.618 2.322 2.866 . 0 0 "[ . 1 . 2]" 1
2097 1 100 THR H 1 101 PRO QD . . 4.800 4.333 4.306 4.353 . 0 0 "[ . 1 . 2]" 1
2098 1 100 THR HA 1 100 THR MG . . 3.160 2.141 1.996 2.257 . 0 0 "[ . 1 . 2]" 1
2099 1 100 THR HA 1 101 PRO HD2 . . 3.330 2.450 2.380 2.503 . 0 0 "[ . 1 . 2]" 1
2100 1 100 THR HA 1 101 PRO HD3 . . 3.330 2.322 2.293 2.346 . 0 0 "[ . 1 . 2]" 1
2101 1 100 THR HA 1 101 PRO QG . . 5.090 4.034 3.990 4.069 . 0 0 "[ . 1 . 2]" 1
2102 1 100 THR MG 1 101 PRO QD . . 3.910 2.533 2.248 2.981 . 0 0 "[ . 1 . 2]" 1
2103 1 101 PRO HA 1 102 ASP H . . 2.680 2.158 2.155 2.177 . 0 0 "[ . 1 . 2]" 1
2104 1 101 PRO HA 1 102 ASP QB . . 4.740 4.535 4.302 4.676 . 0 0 "[ . 1 . 2]" 1
2105 1 101 PRO HB2 1 102 ASP H . . 3.500 3.487 3.350 3.521 0.021 13 0 "[ . 1 . 2]" 1
2106 1 101 PRO HB2 1 103 VAL QG . . 4.810 4.090 3.968 4.213 . 0 0 "[ . 1 . 2]" 1
2107 1 101 PRO HB3 1 102 ASP H . . 4.010 3.969 3.880 3.992 . 0 0 "[ . 1 . 2]" 1
2108 1 101 PRO HB3 1 103 VAL QG . . 5.370 5.301 5.221 5.377 0.007 18 0 "[ . 1 . 2]" 1
2109 1 101 PRO QG 1 102 ASP H . . 4.770 4.641 4.585 4.654 . 0 0 "[ . 1 . 2]" 1
2110 1 102 ASP H 1 102 ASP QB . . 2.900 2.640 2.297 2.841 . 0 0 "[ . 1 . 2]" 1
2111 1 102 ASP H 1 103 VAL H . . 4.760 4.584 4.542 4.630 . 0 0 "[ . 1 . 2]" 1
2112 1 102 ASP HA 1 103 VAL H . . 2.650 2.190 2.158 2.245 . 0 0 "[ . 1 . 2]" 1
2113 1 102 ASP HA 1 103 VAL HA . . 5.090 4.403 4.393 4.427 . 0 0 "[ . 1 . 2]" 1
2114 1 102 ASP HA 1 103 VAL HB . . 4.620 4.512 4.433 4.620 . 0 0 "[ . 1 . 2]" 1
2115 1 102 ASP HA 1 103 VAL QG . . 3.950 3.654 3.427 3.845 . 0 0 "[ . 1 . 2]" 1
2116 1 102 ASP QB 1 103 VAL H . . 3.450 3.003 2.804 3.141 . 0 0 "[ . 1 . 2]" 1
2117 1 102 ASP QB 1 103 VAL HA . . 4.670 4.248 4.096 4.554 . 0 0 "[ . 1 . 2]" 1
2118 1 102 ASP QB 1 103 VAL QG . . 4.510 4.338 4.183 4.514 0.004 18 0 "[ . 1 . 2]" 1
2119 1 102 ASP QB 1 104 ALA MB . . 4.390 3.976 3.873 4.260 . 0 0 "[ . 1 . 2]" 1
2120 1 103 VAL H 1 103 VAL HB . . 3.420 2.620 2.549 2.716 . 0 0 "[ . 1 . 2]" 1
2121 1 103 VAL H 1 103 VAL QG . . 3.340 2.835 2.597 2.946 . 0 0 "[ . 1 . 2]" 1
2122 1 103 VAL H 1 104 ALA H . . 4.470 3.635 3.510 3.787 . 0 0 "[ . 1 . 2]" 1
2123 1 103 VAL HA 1 103 VAL QG . . 2.930 2.086 2.023 2.157 . 0 0 "[ . 1 . 2]" 1
2124 1 103 VAL HA 1 104 ALA H . . 2.470 2.344 2.274 2.407 . 0 0 "[ . 1 . 2]" 1
2125 1 103 VAL HA 1 104 ALA HA . . 4.780 4.535 4.484 4.578 . 0 0 "[ . 1 . 2]" 1
2126 1 103 VAL HA 1 104 ALA MB . . 4.450 4.154 4.102 4.188 . 0 0 "[ . 1 . 2]" 1
2127 1 103 VAL HB 1 104 ALA H . . 4.470 4.496 4.463 4.520 0.050 18 0 "[ . 1 . 2]" 1
2128 1 103 VAL HB 1 104 ALA HA . . 5.500 5.086 4.972 5.196 . 0 0 "[ . 1 . 2]" 1
2129 1 103 VAL QG 1 104 ALA H . . 3.340 3.349 3.262 3.403 0.063 9 0 "[ . 1 . 2]" 1
2130 1 103 VAL QG 1 104 ALA HA . . 4.330 4.110 4.050 4.151 . 0 0 "[ . 1 . 2]" 1
2131 1 104 ALA H 1 104 ALA MB . . 2.900 2.171 2.062 2.269 . 0 0 "[ . 1 . 2]" 1
2132 1 104 ALA H 1 105 VAL H . . 4.580 4.571 4.492 4.618 0.038 18 0 "[ . 1 . 2]" 1
2133 1 104 ALA HA 1 105 VAL H . . 2.580 2.180 2.143 2.222 . 0 0 "[ . 1 . 2]" 1
2134 1 104 ALA HA 1 105 VAL HA . . 5.130 4.426 4.400 4.453 . 0 0 "[ . 1 . 2]" 1
2135 1 104 ALA HA 1 105 VAL HB . . 5.040 4.415 4.290 4.520 . 0 0 "[ . 1 . 2]" 1
2136 1 104 ALA HA 1 105 VAL MG1 . . 4.620 3.837 3.661 4.097 . 0 0 "[ . 1 . 2]" 1
2137 1 104 ALA HA 1 105 VAL MG2 . . 5.500 5.419 5.347 5.452 . 0 0 "[ . 1 . 2]" 1
2138 1 104 ALA MB 1 105 VAL H . . 3.200 2.991 2.817 3.194 . 0 0 "[ . 1 . 2]" 1
2139 1 104 ALA MB 1 105 VAL HA . . 4.750 3.955 3.903 4.045 . 0 0 "[ . 1 . 2]" 1
2140 1 104 ALA MB 1 106 ARG H . . 5.440 5.306 5.151 5.440 0.000 17 0 "[ . 1 . 2]" 1
2141 1 105 VAL H 1 105 VAL HB . . 3.850 3.208 3.061 3.313 . 0 0 "[ . 1 . 2]" 1
2142 1 105 VAL H 1 105 VAL MG1 . . 3.340 2.419 2.206 2.579 . 0 0 "[ . 1 . 2]" 1
2143 1 105 VAL H 1 105 VAL MG2 . . 4.220 3.978 3.944 4.005 . 0 0 "[ . 1 . 2]" 1
2144 1 105 VAL H 1 106 ARG H . . 4.440 4.346 4.279 4.412 . 0 0 "[ . 1 . 2]" 1
2145 1 105 VAL HA 1 105 VAL MG1 . . 3.550 3.194 3.169 3.203 . 0 0 "[ . 1 . 2]" 1
2146 1 105 VAL HA 1 105 VAL MG2 . . 3.250 2.240 2.155 2.349 . 0 0 "[ . 1 . 2]" 1
2147 1 105 VAL HA 1 106 ARG H . . 2.540 2.227 2.192 2.251 . 0 0 "[ . 1 . 2]" 1
2148 1 105 VAL HA 1 106 ARG HA . . 4.600 4.362 4.355 4.371 . 0 0 "[ . 1 . 2]" 1
2149 1 105 VAL HA 1 106 ARG HB2 . . 5.140 4.244 4.159 4.353 . 0 0 "[ . 1 . 2]" 1
2150 1 105 VAL HA 1 106 ARG QB . . 4.310 3.999 3.964 4.025 . 0 0 "[ . 1 . 2]" 1
2151 1 105 VAL HA 1 106 ARG HB3 . . 5.140 4.896 4.739 4.996 . 0 0 "[ . 1 . 2]" 1
2152 1 105 VAL HB 1 106 ARG H . . 4.260 4.097 4.029 4.242 . 0 0 "[ . 1 . 2]" 1
2153 1 105 VAL MG1 1 106 ARG H . . 3.660 3.616 3.447 3.687 0.027 13 0 "[ . 1 . 2]" 1
2154 1 105 VAL MG1 1 106 ARG HA . . 4.390 3.925 3.758 4.053 . 0 0 "[ . 1 . 2]" 1
2155 1 105 VAL MG1 1 107 THR H . . 4.930 4.374 4.174 4.551 . 0 0 "[ . 1 . 2]" 1
2156 1 105 VAL MG1 1 107 THR HA . . 4.690 4.307 4.009 4.500 . 0 0 "[ . 1 . 2]" 1
2157 1 105 VAL MG1 1 107 THR MG . . 4.160 3.462 3.285 3.609 . 0 0 "[ . 1 . 2]" 1
2158 1 105 VAL MG2 1 106 ARG H . . 3.110 2.150 1.878 2.325 . 0 0 "[ . 1 . 2]" 1
2159 1 105 VAL MG2 1 106 ARG HA . . 4.760 4.029 3.870 4.254 . 0 0 "[ . 1 . 2]" 1
2160 1 105 VAL MG2 1 107 THR H . . 5.460 4.694 4.377 5.023 . 0 0 "[ . 1 . 2]" 1
2161 1 106 ARG H 1 106 ARG HB2 . . 3.180 2.562 2.454 2.691 . 0 0 "[ . 1 . 2]" 1
2162 1 106 ARG H 1 106 ARG QB . . 2.770 2.347 2.302 2.385 . 0 0 "[ . 1 . 2]" 1
2163 1 106 ARG H 1 106 ARG HB3 . . 3.180 2.732 2.594 2.846 . 0 0 "[ . 1 . 2]" 1
2164 1 106 ARG H 1 106 ARG QD . . 5.130 4.768 4.665 4.878 . 0 0 "[ . 1 . 2]" 1
2165 1 106 ARG H 1 106 ARG HG3 . . 4.730 4.486 4.398 4.608 . 0 0 "[ . 1 . 2]" 1
2166 1 106 ARG H 1 107 THR H . . 4.590 4.486 4.411 4.546 . 0 0 "[ . 1 . 2]" 1
2167 1 106 ARG H 1 107 THR MG . . 5.500 5.425 5.269 5.500 0.000 9 0 "[ . 1 . 2]" 1
2168 1 106 ARG HA 1 106 ARG HD2 . . 4.930 4.548 4.433 4.826 . 0 0 "[ . 1 . 2]" 1
2169 1 106 ARG HA 1 106 ARG HD3 . . 4.930 4.730 4.569 4.801 . 0 0 "[ . 1 . 2]" 1
2170 1 106 ARG HA 1 106 ARG HG2 . . 3.920 2.754 2.546 2.920 . 0 0 "[ . 1 . 2]" 1
2171 1 106 ARG HA 1 106 ARG HG3 . . 3.590 2.575 2.448 2.789 . 0 0 "[ . 1 . 2]" 1
2172 1 106 ARG HA 1 107 THR H . . 2.770 2.161 2.142 2.191 . 0 0 "[ . 1 . 2]" 1
2173 1 106 ARG HA 1 107 THR MG . . 4.650 4.072 3.848 4.219 . 0 0 "[ . 1 . 2]" 1
2174 1 106 ARG QB 1 106 ARG QD . . 2.910 2.239 2.133 2.334 . 0 0 "[ . 1 . 2]" 1
2175 1 106 ARG QB 1 107 THR H . . 3.910 3.673 3.587 3.773 . 0 0 "[ . 1 . 2]" 1
2176 1 106 ARG HB2 1 107 THR H . . 4.560 4.334 4.256 4.413 . 0 0 "[ . 1 . 2]" 1
2177 1 106 ARG HB3 1 107 THR H . . 4.560 3.968 3.862 4.114 . 0 0 "[ . 1 . 2]" 1
2178 1 106 ARG QD 1 107 THR H . . 5.340 4.554 4.300 4.712 . 0 0 "[ . 1 . 2]" 1
2179 1 106 ARG HG2 1 107 THR H . . 3.510 2.769 2.524 2.963 . 0 0 "[ . 1 . 2]" 1
2180 1 106 ARG HG3 1 107 THR H . . 4.010 3.571 3.309 3.816 . 0 0 "[ . 1 . 2]" 1
2181 1 107 THR H 1 107 THR HG1 . . 3.840 3.132 2.224 3.359 . 0 0 "[ . 1 . 2]" 1
2182 1 107 THR H 1 107 THR MG . . 3.220 2.710 2.429 2.919 . 0 0 "[ . 1 . 2]" 1
2183 1 107 THR H 1 108 LEU H . . 4.770 4.589 4.525 4.625 . 0 0 "[ . 1 . 2]" 1
2184 1 107 THR HA 1 107 THR MG . . 3.190 2.149 2.074 2.274 . 0 0 "[ . 1 . 2]" 1
2185 1 107 THR HA 1 108 LEU H . . 3.030 2.463 2.313 2.623 . 0 0 "[ . 1 . 2]" 1
2186 1 107 THR HA 1 108 LEU HA . . 5.030 4.314 4.300 4.348 . 0 0 "[ . 1 . 2]" 1
2187 1 107 THR HA 1 108 LEU HB2 . . 5.310 5.055 4.934 5.178 . 0 0 "[ . 1 . 2]" 1
2188 1 107 THR HA 1 108 LEU MD2 . . 4.420 4.059 3.654 4.327 . 0 0 "[ . 1 . 2]" 1
2189 1 107 THR HA 1 108 LEU HG . . 4.070 3.743 3.641 3.833 . 0 0 "[ . 1 . 2]" 1
2190 1 107 THR HG1 1 107 THR MG . . 3.070 2.617 2.118 3.033 . 0 0 "[ . 1 . 2]" 1
2191 1 107 THR MG 1 108 LEU H . . 4.070 3.425 3.276 3.616 . 0 0 "[ . 1 . 2]" 1
2192 1 108 LEU H 1 108 LEU HB2 . . 3.540 2.617 2.549 2.706 . 0 0 "[ . 1 . 2]" 1
2193 1 108 LEU H 1 108 LEU HB3 . . 4.120 3.599 3.572 3.644 . 0 0 "[ . 1 . 2]" 1
2194 1 108 LEU H 1 108 LEU MD1 . . 4.140 3.558 3.496 3.659 . 0 0 "[ . 1 . 2]" 1
2195 1 108 LEU H 1 108 LEU MD2 . . 3.880 3.193 2.891 3.528 . 0 0 "[ . 1 . 2]" 1
2196 1 108 LEU H 1 108 LEU HG . . 3.400 2.086 1.913 2.274 . 0 0 "[ . 1 . 2]" 1
2197 1 108 LEU H 1 109 SER H . . 4.660 4.612 4.576 4.637 . 0 0 "[ . 1 . 2]" 1
2198 1 108 LEU HA 1 108 LEU MD1 . . 4.570 3.925 3.895 3.960 . 0 0 "[ . 1 . 2]" 1
2199 1 108 LEU HA 1 108 LEU MD2 . . 2.880 2.189 1.982 2.342 . 0 0 "[ . 1 . 2]" 1
2200 1 108 LEU HA 1 108 LEU HG . . 4.190 3.223 3.104 3.306 . 0 0 "[ . 1 . 2]" 1
2201 1 108 LEU HA 1 109 SER H . . 2.720 2.270 2.186 2.411 . 0 0 "[ . 1 . 2]" 1
2202 1 108 LEU HB2 1 108 LEU MD1 . . 3.110 2.192 2.113 2.305 . 0 0 "[ . 1 . 2]" 1
2203 1 108 LEU HB2 1 109 SER H . . 4.020 3.748 3.374 3.940 . 0 0 "[ . 1 . 2]" 1
2204 1 108 LEU HB3 1 108 LEU MD1 . . 3.090 2.451 2.340 2.512 . 0 0 "[ . 1 . 2]" 1
2205 1 108 LEU HB3 1 108 LEU MD2 . . 3.210 2.277 2.209 2.380 . 0 0 "[ . 1 . 2]" 1
2206 1 108 LEU HB3 1 109 SER H . . 3.160 2.798 2.472 3.087 . 0 0 "[ . 1 . 2]" 1
2207 1 108 LEU HB3 1 109 SER QB . . 5.340 4.904 4.561 5.270 . 0 0 "[ . 1 . 2]" 1
2208 1 108 LEU MD1 1 109 SER H . . 5.050 4.780 4.466 5.005 . 0 0 "[ . 1 . 2]" 1
2209 1 108 LEU MD2 1 109 SER H . . 3.750 3.594 3.455 3.750 . 0 0 "[ . 1 . 2]" 1
2210 1 108 LEU HG 1 109 SER H . . 5.420 5.071 4.943 5.187 . 0 0 "[ . 1 . 2]" 1
2211 1 109 SER H 1 109 SER HB2 . . 3.710 3.343 2.853 3.701 . 0 0 "[ . 1 . 2]" 1
2212 1 109 SER H 1 109 SER QB . . 3.070 2.416 2.224 2.709 . 0 0 "[ . 1 . 2]" 1
2213 1 109 SER H 1 109 SER HB3 . . 3.710 2.485 2.267 2.788 . 0 0 "[ . 1 . 2]" 1
2214 1 109 SER HA 1 110 ASP H . . 3.250 2.157 2.137 2.280 . 0 0 "[ . 1 . 2]" 1
2215 1 109 SER QB 1 110 ASP H . . 3.820 3.511 2.777 3.836 0.016 18 0 "[ . 1 . 2]" 1
2216 1 109 SER HB2 1 110 ASP H . . 4.480 3.755 2.825 4.282 . 0 0 "[ . 1 . 2]" 1
2217 1 109 SER HB3 1 110 ASP H . . 4.480 4.329 4.090 4.484 0.004 6 0 "[ . 1 . 2]" 1
2218 1 110 ASP H 1 110 ASP QB . . 3.870 2.352 2.160 2.618 . 0 0 "[ . 1 . 2]" 1
2219 1 112 GLY QA 1 113 PRO QD . . 2.710 1.974 1.847 2.115 . 0 0 "[ . 1 . 2]" 1
2220 1 112 GLY QA 1 113 PRO QG . . 4.320 3.715 3.642 3.918 . 0 0 "[ . 1 . 2]" 1
stop_
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