NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
418136 |
2duw   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2duw
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 1888
_Distance_constraint_stats_list.Viol_count 1665
_Distance_constraint_stats_list.Viol_total 316.172
_Distance_constraint_stats_list.Viol_max 0.200
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0095
_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 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ASP 0.153 0.113 5 0 "[ . 1 . 2]"
1 6 ILE 0.273 0.113 5 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.060 0.012 2 0 "[ . 1 . 2]"
1 9 ILE 0.114 0.015 18 0 "[ . 1 . 2]"
1 10 LEU 0.070 0.012 1 0 "[ . 1 . 2]"
1 11 THR 0.175 0.012 11 0 "[ . 1 . 2]"
1 12 SER 0.059 0.014 6 0 "[ . 1 . 2]"
1 13 THR 0.149 0.016 10 0 "[ . 1 . 2]"
1 14 ARG 0.082 0.018 11 0 "[ . 1 . 2]"
1 15 THR 0.158 0.022 5 0 "[ . 1 . 2]"
1 16 ILE 0.182 0.011 11 0 "[ . 1 . 2]"
1 17 ALA 0.102 0.022 3 0 "[ . 1 . 2]"
1 18 LEU 0.179 0.030 19 0 "[ . 1 . 2]"
1 19 VAL 0.186 0.067 8 0 "[ . 1 . 2]"
1 20 GLY 0.038 0.007 11 0 "[ . 1 . 2]"
1 21 ALA 0.036 0.008 15 0 "[ . 1 . 2]"
1 22 SER 0.237 0.042 15 0 "[ . 1 . 2]"
1 23 ASP 0.576 0.126 15 0 "[ . 1 . 2]"
1 24 LYS 1.538 0.144 15 0 "[ . 1 . 2]"
1 25 PRO 0.179 0.104 15 0 "[ . 1 . 2]"
1 26 ASP 0.560 0.095 15 0 "[ . 1 . 2]"
1 27 ARG 0.109 0.036 19 0 "[ . 1 . 2]"
1 28 PRO 0.117 0.082 12 0 "[ . 1 . 2]"
1 29 SER 0.202 0.024 19 0 "[ . 1 . 2]"
1 30 TYR 0.364 0.036 19 0 "[ . 1 . 2]"
1 31 ARG 0.101 0.082 12 0 "[ . 1 . 2]"
1 32 VAL 0.482 0.036 20 0 "[ . 1 . 2]"
1 33 MET 0.142 0.033 3 0 "[ . 1 . 2]"
1 34 LYS 0.018 0.011 20 0 "[ . 1 . 2]"
1 35 TYR 0.864 0.036 20 0 "[ . 1 . 2]"
1 36 LEU 0.084 0.007 10 0 "[ . 1 . 2]"
1 37 LEU 0.084 0.015 17 0 "[ . 1 . 2]"
1 38 ASP 0.013 0.003 3 0 "[ . 1 . 2]"
1 39 GLN 0.091 0.018 7 0 "[ . 1 . 2]"
1 40 GLY 0.002 0.002 7 0 "[ . 1 . 2]"
1 41 TYR 0.039 0.007 13 0 "[ . 1 . 2]"
1 42 HIS 0.040 0.024 14 0 "[ . 1 . 2]"
1 43 VAL 0.787 0.200 14 0 "[ . 1 . 2]"
1 44 ILE 0.312 0.034 14 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.115 0.067 8 0 "[ . 1 . 2]"
1 47 SER 0.267 0.031 7 0 "[ . 1 . 2]"
1 48 PRO 0.007 0.007 1 0 "[ . 1 . 2]"
1 49 LYS 0.003 0.002 14 0 "[ . 1 . 2]"
1 50 VAL 0.680 0.068 7 0 "[ . 1 . 2]"
1 51 ALA 0.530 0.028 9 0 "[ . 1 . 2]"
1 52 GLY 0.060 0.015 8 0 "[ . 1 . 2]"
1 53 LYS 0.264 0.068 7 0 "[ . 1 . 2]"
1 54 THR 0.057 0.011 12 0 "[ . 1 . 2]"
1 55 LEU 0.293 0.089 12 0 "[ . 1 . 2]"
1 56 LEU 0.047 0.015 12 0 "[ . 1 . 2]"
1 57 GLY 0.010 0.006 12 0 "[ . 1 . 2]"
1 58 GLN 0.022 0.007 12 0 "[ . 1 . 2]"
1 59 GLN 0.085 0.012 19 0 "[ . 1 . 2]"
1 60 GLY 0.006 0.003 17 0 "[ . 1 . 2]"
1 61 TYR 0.595 0.031 7 0 "[ . 1 . 2]"
1 62 ALA 0.527 0.033 8 0 "[ . 1 . 2]"
1 63 THR 0.159 0.045 5 0 "[ . 1 . 2]"
1 64 LEU 0.672 0.168 19 0 "[ . 1 . 2]"
1 65 ALA 0.327 0.045 5 0 "[ . 1 . 2]"
1 66 ASP 0.817 0.168 19 0 "[ . 1 . 2]"
1 67 VAL 0.353 0.023 11 0 "[ . 1 . 2]"
1 68 PRO 0.019 0.019 8 0 "[ . 1 . 2]"
1 69 GLU 0.246 0.062 15 0 "[ . 1 . 2]"
1 70 LYS 0.002 0.002 11 0 "[ . 1 . 2]"
1 71 VAL 0.100 0.022 3 0 "[ . 1 . 2]"
1 72 ASP 0.344 0.022 5 0 "[ . 1 . 2]"
1 73 MET 0.059 0.016 11 0 "[ . 1 . 2]"
1 74 VAL 0.065 0.016 11 0 "[ . 1 . 2]"
1 75 ASP 0.128 0.017 3 0 "[ . 1 . 2]"
1 76 VAL 0.205 0.021 19 0 "[ . 1 . 2]"
1 77 PHE 0.262 0.077 19 0 "[ . 1 . 2]"
1 78 ARG 0.190 0.077 19 0 "[ . 1 . 2]"
1 79 ASN 0.002 0.001 13 0 "[ . 1 . 2]"
1 80 SER 0.002 0.001 13 0 "[ . 1 . 2]"
1 81 GLU 0.000 0.000 20 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.005 0.004 5 0 "[ . 1 . 2]"
1 84 TRP 0.074 0.009 16 0 "[ . 1 . 2]"
1 85 GLY 0.014 0.004 3 0 "[ . 1 . 2]"
1 86 VAL 0.196 0.151 17 0 "[ . 1 . 2]"
1 87 ALA 0.049 0.012 11 0 "[ . 1 . 2]"
1 88 GLN 0.066 0.009 5 0 "[ . 1 . 2]"
1 89 GLU 0.269 0.151 17 0 "[ . 1 . 2]"
1 90 ALA 0.096 0.045 17 0 "[ . 1 . 2]"
1 91 ILE 0.486 0.055 5 0 "[ . 1 . 2]"
1 92 ALA 0.040 0.009 18 0 "[ . 1 . 2]"
1 93 ILE 0.024 0.006 19 0 "[ . 1 . 2]"
1 94 GLY 0.017 0.011 9 0 "[ . 1 . 2]"
1 95 ALA 0.037 0.011 9 0 "[ . 1 . 2]"
1 96 LYS 0.023 0.008 2 0 "[ . 1 . 2]"
1 97 THR 0.073 0.012 9 0 "[ . 1 . 2]"
1 98 LEU 0.463 0.057 19 0 "[ . 1 . 2]"
1 99 TRP 1.232 0.057 19 0 "[ . 1 . 2]"
1 100 LEU 0.050 0.006 9 0 "[ . 1 . 2]"
1 101 GLN 0.248 0.036 19 0 "[ . 1 . 2]"
1 102 LEU 1.145 0.073 19 0 "[ . 1 . 2]"
1 103 GLY 0.057 0.023 9 0 "[ . 1 . 2]"
1 104 VAL 0.144 0.022 11 0 "[ . 1 . 2]"
1 105 ILE 0.138 0.022 11 0 "[ . 1 . 2]"
1 106 ASN 0.022 0.004 10 0 "[ . 1 . 2]"
1 107 GLU 0.051 0.018 10 0 "[ . 1 . 2]"
1 108 GLN 0.131 0.034 16 0 "[ . 1 . 2]"
1 109 ALA 0.106 0.016 16 0 "[ . 1 . 2]"
1 110 ALA 0.051 0.011 9 0 "[ . 1 . 2]"
1 111 VAL 0.948 0.137 14 0 "[ . 1 . 2]"
1 112 LEU 1.094 0.137 14 0 "[ . 1 . 2]"
1 113 ALA 0.125 0.022 16 0 "[ . 1 . 2]"
1 114 ARG 0.056 0.022 16 0 "[ . 1 . 2]"
1 115 GLU 0.082 0.031 16 0 "[ . 1 . 2]"
1 116 ALA 0.160 0.055 5 0 "[ . 1 . 2]"
1 117 GLY 0.067 0.024 9 0 "[ . 1 . 2]"
1 118 LEU 0.103 0.023 18 0 "[ . 1 . 2]"
1 119 SER 0.086 0.023 18 0 "[ . 1 . 2]"
1 120 VAL 0.068 0.012 19 0 "[ . 1 . 2]"
1 121 VAL 0.101 0.009 9 0 "[ . 1 . 2]"
1 122 MET 0.089 0.025 11 0 "[ . 1 . 2]"
1 123 ASP 0.064 0.018 9 0 "[ . 1 . 2]"
1 124 ARG 0.894 0.073 19 0 "[ . 1 . 2]"
1 125 CYS 0.825 0.061 11 0 "[ . 1 . 2]"
1 126 PRO 0.412 0.048 15 0 "[ . 1 . 2]"
1 127 ALA 0.365 0.032 18 0 "[ . 1 . 2]"
1 128 ILE 0.138 0.040 11 0 "[ . 1 . 2]"
1 129 GLU 0.019 0.016 20 0 "[ . 1 . 2]"
1 130 LEU 0.592 0.032 9 0 "[ . 1 . 2]"
1 131 PRO 0.051 0.014 18 0 "[ . 1 . 2]"
1 132 ARG 0.257 0.054 18 0 "[ . 1 . 2]"
1 133 LEU 0.014 0.012 16 0 "[ . 1 . 2]"
1 134 GLY 0.080 0.014 18 0 "[ . 1 . 2]"
1 135 LEU 0.252 0.147 16 0 "[ . 1 . 2]"
1 136 ALA 0.208 0.032 9 0 "[ . 1 . 2]"
1 137 LYS 0.126 0.060 5 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 2 LYS HA 1 2 LYS QG . . 3.500 2.642 2.177 3.432 . 0 0 "[ . 1 . 2]" 1
2 1 4 ASN QB 1 4 ASN HD22 . . 3.680 3.277 3.213 3.417 . 0 0 "[ . 1 . 2]" 1
3 1 5 ASP HA 1 6 ILE H . . 3.440 2.853 2.367 3.553 0.113 5 0 "[ . 1 . 2]" 1
4 1 5 ASP QB 1 7 ALA H . . 4.930 3.380 2.339 4.735 . 0 0 "[ . 1 . 2]" 1
5 1 6 ILE H 1 6 ILE HB . . 3.620 3.608 3.605 3.611 . 0 0 "[ . 1 . 2]" 1
6 1 6 ILE H 1 6 ILE MD . . 3.890 3.654 3.564 3.738 . 0 0 "[ . 1 . 2]" 1
7 1 6 ILE H 1 6 ILE HG12 . . 3.250 2.010 1.949 2.125 . 0 0 "[ . 1 . 2]" 1
8 1 6 ILE H 1 6 ILE HG13 . . 3.460 2.914 2.722 3.111 . 0 0 "[ . 1 . 2]" 1
9 1 6 ILE H 1 6 ILE MG . . 3.690 2.392 2.246 2.506 . 0 0 "[ . 1 . 2]" 1
10 1 6 ILE H 1 7 ALA H . . 3.240 2.752 2.741 2.767 . 0 0 "[ . 1 . 2]" 1
11 1 6 ILE H 1 7 ALA HA . . 5.500 5.298 5.286 5.320 . 0 0 "[ . 1 . 2]" 1
12 1 6 ILE H 1 121 VAL QG . . 5.440 5.433 5.370 5.447 0.007 15 0 "[ . 1 . 2]" 1
13 1 6 ILE HA 1 6 ILE HG12 . . 3.820 3.716 3.668 3.783 . 0 0 "[ . 1 . 2]" 1
14 1 6 ILE HA 1 6 ILE MG . . 3.640 2.172 2.108 2.293 . 0 0 "[ . 1 . 2]" 1
15 1 6 ILE HA 1 8 GLY H . . 4.730 4.013 3.931 4.141 . 0 0 "[ . 1 . 2]" 1
16 1 6 ILE HA 1 9 ILE H . . 3.900 3.098 3.074 3.162 . 0 0 "[ . 1 . 2]" 1
17 1 6 ILE HA 1 9 ILE HB . . 4.090 2.570 2.456 2.691 . 0 0 "[ . 1 . 2]" 1
18 1 6 ILE HA 1 9 ILE MD . . 3.470 1.948 1.882 1.972 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE HA 1 10 LEU H . . 4.500 3.974 3.785 4.196 . 0 0 "[ . 1 . 2]" 1
20 1 6 ILE HB 1 6 ILE MD . . 3.560 2.327 2.181 2.421 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE HB 1 7 ALA H . . 3.840 3.805 3.786 3.839 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE HB 1 8 GLY H . . 5.500 5.408 5.336 5.505 0.005 18 0 "[ . 1 . 2]" 1
23 1 6 ILE MD 1 6 ILE MG . . 3.230 2.167 1.936 2.362 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE MD 1 7 ALA H . . 4.450 3.947 3.843 4.022 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE MD 1 121 VAL MG1 . . 3.810 3.756 3.685 3.816 0.006 11 0 "[ . 1 . 2]" 1
26 1 6 ILE MD 1 121 VAL QG . . 2.990 2.778 2.640 2.945 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE MD 1 121 VAL MG2 . . 3.810 2.864 2.700 3.065 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HG13 1 7 ALA H . . 3.170 2.280 2.152 2.426 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HG13 1 7 ALA HA . . 3.630 3.482 3.390 3.561 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE HG13 1 8 GLY H . . 4.970 4.851 4.727 4.954 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE MG 1 7 ALA H . . 4.210 4.118 4.082 4.141 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE MG 1 7 ALA HA . . 5.500 5.452 5.444 5.453 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE MG 1 99 TRP HE3 . . 4.500 4.435 4.237 4.509 0.009 3 0 "[ . 1 . 2]" 1
34 1 6 ILE MG 1 99 TRP HH2 . . 5.140 4.859 4.537 5.143 0.003 11 0 "[ . 1 . 2]" 1
35 1 6 ILE MG 1 99 TRP HZ3 . . 3.440 3.206 2.869 3.419 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE MG 1 119 SER H . . 4.840 4.776 4.479 4.846 0.006 19 0 "[ . 1 . 2]" 1
37 1 6 ILE MG 1 121 VAL MG1 . . 4.560 4.495 4.318 4.563 0.003 16 0 "[ . 1 . 2]" 1
38 1 6 ILE MG 1 121 VAL QG . . 3.240 2.749 2.598 2.859 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE MG 1 121 VAL MG2 . . 4.560 2.774 2.619 2.890 . 0 0 "[ . 1 . 2]" 1
40 1 7 ALA H 1 7 ALA MB . . 2.570 2.150 2.038 2.233 . 0 0 "[ . 1 . 2]" 1
41 1 7 ALA H 1 8 GLY H . . 3.110 2.759 2.722 2.777 . 0 0 "[ . 1 . 2]" 1
42 1 7 ALA H 1 8 GLY HA3 . . 5.220 5.069 5.032 5.086 . 0 0 "[ . 1 . 2]" 1
43 1 7 ALA H 1 9 ILE MD . . 4.880 4.106 4.045 4.176 . 0 0 "[ . 1 . 2]" 1
44 1 7 ALA H 1 10 LEU QD . . 4.470 3.709 3.625 3.809 . 0 0 "[ . 1 . 2]" 1
45 1 7 ALA HA 1 9 ILE H . . 4.590 4.422 4.342 4.463 . 0 0 "[ . 1 . 2]" 1
46 1 7 ALA HA 1 10 LEU H . . 4.180 3.665 3.612 3.736 . 0 0 "[ . 1 . 2]" 1
47 1 7 ALA HA 1 10 LEU HG . . 3.270 2.758 2.564 2.865 . 0 0 "[ . 1 . 2]" 1
48 1 7 ALA MB 1 8 GLY H . . 2.950 2.654 2.568 2.789 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA MB 1 9 ILE H . . 4.690 4.512 4.467 4.557 . 0 0 "[ . 1 . 2]" 1
50 1 8 GLY HA2 1 10 LEU H . . 4.420 4.293 4.213 4.427 0.007 5 0 "[ . 1 . 2]" 1
51 1 8 GLY HA3 1 9 ILE MD . . 3.710 3.461 3.247 3.722 0.012 2 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE HB . . 3.280 2.438 2.405 2.478 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE H 1 9 ILE MD . . 3.530 1.947 1.891 2.240 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 9 ILE HG12 . . 4.020 3.970 3.920 4.035 0.015 18 0 "[ . 1 . 2]" 1
55 1 9 ILE H 1 9 ILE QG . . 3.340 3.055 2.888 3.181 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 9 ILE HG13 . . 4.020 3.178 2.968 3.349 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 9 ILE MG . . 3.870 3.752 3.741 3.764 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE H 1 10 LEU H . . 3.500 2.463 2.454 2.486 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE H 1 11 THR H . . 4.010 3.849 3.833 3.889 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE H 1 12 SER H . . 4.700 4.582 4.538 4.602 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE HA 1 9 ILE MD . . 4.120 3.300 3.149 3.465 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE HA 1 9 ILE QG . . 3.660 2.251 2.209 2.282 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE HA 1 9 ILE MG . . 3.510 2.380 2.331 2.445 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE HA 1 11 THR MG . . 4.460 4.417 4.361 4.448 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE HA 1 12 SER H . . 4.150 3.558 3.530 3.614 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE HA 1 13 THR H . . 4.040 3.577 3.393 3.693 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HB 1 9 ILE MD . . 3.460 2.166 2.042 2.241 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE HB 1 10 LEU H . . 3.880 2.854 2.738 2.914 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MD 1 9 ILE MG . . 3.250 3.135 3.068 3.184 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE MD 1 10 LEU H . . 4.420 3.786 3.681 3.907 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE MD 1 119 SER H . . 5.500 5.363 5.047 5.501 0.001 19 0 "[ . 1 . 2]" 1
72 1 9 ILE MD 1 119 SER QB . . 4.180 3.800 3.323 4.148 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE MG 1 10 LEU H . . 3.770 3.551 3.422 3.653 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE MG 1 10 LEU HA . . 4.010 3.534 3.375 3.652 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE MG 1 12 SER H . . 4.720 4.706 4.672 4.734 0.014 6 0 "[ . 1 . 2]" 1
76 1 9 ILE MG 1 13 THR H . . 3.950 3.827 3.720 3.933 . 0 0 "[ . 1 . 2]" 1
77 1 10 LEU H 1 10 LEU HB2 . . 3.590 3.578 3.560 3.594 0.004 3 0 "[ . 1 . 2]" 1
78 1 10 LEU H 1 10 LEU HB3 . . 3.200 2.334 2.287 2.398 . 0 0 "[ . 1 . 2]" 1
79 1 10 LEU H 1 10 LEU QD . . 3.630 3.143 3.059 3.205 . 0 0 "[ . 1 . 2]" 1
80 1 10 LEU H 1 10 LEU HG . . 3.650 2.803 2.577 2.945 . 0 0 "[ . 1 . 2]" 1
81 1 10 LEU H 1 11 THR H . . 3.450 2.337 2.308 2.425 . 0 0 "[ . 1 . 2]" 1
82 1 10 LEU H 1 11 THR HB . . 4.820 4.583 4.544 4.674 . 0 0 "[ . 1 . 2]" 1
83 1 10 LEU H 1 11 THR MG . . 4.270 3.901 3.835 3.960 . 0 0 "[ . 1 . 2]" 1
84 1 10 LEU HA 1 10 LEU QD . . 3.300 3.189 3.118 3.297 . 0 0 "[ . 1 . 2]" 1
85 1 10 LEU HB2 1 11 THR H . . 4.360 4.170 4.003 4.240 . 0 0 "[ . 1 . 2]" 1
86 1 10 LEU HB3 1 10 LEU QD . . 3.240 2.075 2.009 2.144 . 0 0 "[ . 1 . 2]" 1
87 1 10 LEU HB3 1 11 THR H . . 3.750 3.737 3.696 3.762 0.012 1 0 "[ . 1 . 2]" 1
88 1 10 LEU QD 1 11 THR H . . 4.590 3.132 2.772 3.274 . 0 0 "[ . 1 . 2]" 1
89 1 10 LEU HG 1 11 THR H . . 3.950 2.273 2.031 2.399 . 0 0 "[ . 1 . 2]" 1
90 1 10 LEU HG 1 11 THR MG . . 4.090 3.844 3.761 3.906 . 0 0 "[ . 1 . 2]" 1
91 1 11 THR H 1 11 THR HB . . 3.690 2.549 2.472 2.592 . 0 0 "[ . 1 . 2]" 1
92 1 11 THR H 1 11 THR MG . . 3.020 2.253 2.193 2.324 . 0 0 "[ . 1 . 2]" 1
93 1 11 THR H 1 12 SER H . . 3.200 2.321 2.268 2.447 . 0 0 "[ . 1 . 2]" 1
94 1 11 THR H 1 13 THR H . . 4.560 4.567 4.560 4.572 0.012 11 0 "[ . 1 . 2]" 1
95 1 11 THR HA 1 11 THR MG . . 3.390 3.188 3.181 3.192 . 0 0 "[ . 1 . 2]" 1
96 1 11 THR MG 1 12 SER H . . 3.830 2.279 2.194 2.370 . 0 0 "[ . 1 . 2]" 1
97 1 12 SER H 1 12 SER HB2 . . 3.220 2.752 2.638 2.893 . 0 0 "[ . 1 . 2]" 1
98 1 12 SER H 1 12 SER HB3 . . 3.220 2.451 2.352 2.541 . 0 0 "[ . 1 . 2]" 1
99 1 12 SER H 1 13 THR H . . 3.120 2.707 2.683 2.725 . 0 0 "[ . 1 . 2]" 1
100 1 13 THR H 1 13 THR HB . . 3.450 2.982 2.700 3.330 . 0 0 "[ . 1 . 2]" 1
101 1 13 THR H 1 14 ARG H . . 4.570 4.380 4.148 4.431 . 0 0 "[ . 1 . 2]" 1
102 1 13 THR HA 1 14 ARG H . . 3.100 2.203 2.146 2.235 . 0 0 "[ . 1 . 2]" 1
103 1 13 THR HA 1 14 ARG QB . . 4.620 4.424 4.187 4.521 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR HA 1 72 ASP QB . . 5.340 5.243 5.047 5.356 0.016 10 0 "[ . 1 . 2]" 1
105 1 14 ARG H 1 14 ARG HB2 . . 3.840 3.223 2.409 3.692 . 0 0 "[ . 1 . 2]" 1
106 1 14 ARG H 1 14 ARG QB . . 3.250 2.805 2.377 3.051 . 0 0 "[ . 1 . 2]" 1
107 1 14 ARG H 1 14 ARG HB3 . . 3.840 3.390 3.117 3.776 . 0 0 "[ . 1 . 2]" 1
108 1 14 ARG H 1 14 ARG QD . . 4.480 3.656 1.991 4.469 . 0 0 "[ . 1 . 2]" 1
109 1 14 ARG H 1 14 ARG HG2 . . 4.260 2.978 1.952 4.225 . 0 0 "[ . 1 . 2]" 1
110 1 14 ARG H 1 14 ARG HG3 . . 4.260 2.825 2.166 3.667 . 0 0 "[ . 1 . 2]" 1
111 1 14 ARG H 1 72 ASP QB . . 4.910 4.858 4.547 4.928 0.018 11 0 "[ . 1 . 2]" 1
112 1 14 ARG HA 1 14 ARG QG . . 3.690 2.995 2.285 3.436 . 0 0 "[ . 1 . 2]" 1
113 1 14 ARG QB 1 14 ARG QD . . 3.290 2.161 2.010 2.398 . 0 0 "[ . 1 . 2]" 1
114 1 14 ARG QG 1 15 THR H . . 4.730 4.402 4.116 4.496 . 0 0 "[ . 1 . 2]" 1
115 1 15 THR H 1 15 THR HB . . 3.420 2.800 2.784 2.892 . 0 0 "[ . 1 . 2]" 1
116 1 15 THR H 1 15 THR MG . . 3.990 3.902 3.886 3.962 . 0 0 "[ . 1 . 2]" 1
117 1 15 THR H 1 71 VAL QG . . 5.440 4.815 4.595 5.336 . 0 0 "[ . 1 . 2]" 1
118 1 15 THR H 1 72 ASP H . . 4.260 4.229 4.000 4.282 0.022 5 0 "[ . 1 . 2]" 1
119 1 15 THR H 1 72 ASP HB2 . . 4.040 3.187 2.106 3.899 . 0 0 "[ . 1 . 2]" 1
120 1 15 THR H 1 72 ASP QB . . 3.500 2.536 2.067 3.026 . 0 0 "[ . 1 . 2]" 1
121 1 15 THR H 1 72 ASP HB3 . . 4.040 3.020 2.092 3.970 . 0 0 "[ . 1 . 2]" 1
122 1 15 THR HA 1 15 THR MG . . 3.650 2.379 2.204 2.426 . 0 0 "[ . 1 . 2]" 1
123 1 15 THR HA 1 16 ILE H . . 3.010 2.200 2.142 2.228 . 0 0 "[ . 1 . 2]" 1
124 1 15 THR HA 1 42 HIS H . . 4.280 4.009 3.353 4.281 0.001 1 0 "[ . 1 . 2]" 1
125 1 15 THR HA 1 42 HIS HB2 . . 4.230 3.480 2.548 4.043 . 0 0 "[ . 1 . 2]" 1
126 1 15 THR HA 1 42 HIS HB3 . . 4.230 2.660 2.043 3.339 . 0 0 "[ . 1 . 2]" 1
127 1 15 THR HB 1 16 ILE H . . 4.580 4.059 3.958 4.289 . 0 0 "[ . 1 . 2]" 1
128 1 15 THR HB 1 72 ASP H . . 3.480 1.933 1.917 1.950 . 0 0 "[ . 1 . 2]" 1
129 1 15 THR HB 1 73 MET H . . 4.290 3.148 3.015 3.487 . 0 0 "[ . 1 . 2]" 1
130 1 15 THR MG 1 16 ILE H . . 3.400 2.378 2.202 2.772 . 0 0 "[ . 1 . 2]" 1
131 1 15 THR MG 1 16 ILE HA . . 4.230 3.544 3.410 4.061 . 0 0 "[ . 1 . 2]" 1
132 1 15 THR MG 1 16 ILE MD . . 4.140 3.949 3.827 4.142 0.002 11 0 "[ . 1 . 2]" 1
133 1 15 THR MG 1 42 HIS HB2 . . 4.530 4.208 3.468 4.532 0.002 16 0 "[ . 1 . 2]" 1
134 1 15 THR MG 1 42 HIS QB . . 3.970 2.889 2.600 3.124 . 0 0 "[ . 1 . 2]" 1
135 1 15 THR MG 1 42 HIS HB3 . . 4.530 2.951 2.629 3.201 . 0 0 "[ . 1 . 2]" 1
136 1 15 THR MG 1 42 HIS HD2 . . 4.450 3.422 2.207 4.441 . 0 0 "[ . 1 . 2]" 1
137 1 15 THR MG 1 44 ILE MD . . 3.050 1.974 1.824 2.174 . 0 0 "[ . 1 . 2]" 1
138 1 15 THR MG 1 71 VAL H . . 4.990 4.655 4.390 4.991 0.001 18 0 "[ . 1 . 2]" 1
139 1 15 THR MG 1 71 VAL HA . . 3.770 2.272 2.063 2.541 . 0 0 "[ . 1 . 2]" 1
140 1 15 THR MG 1 72 ASP H . . 3.370 2.466 2.187 2.710 . 0 0 "[ . 1 . 2]" 1
141 1 15 THR MG 1 72 ASP QB . . 3.820 3.521 3.320 3.711 . 0 0 "[ . 1 . 2]" 1
142 1 15 THR MG 1 73 MET H . . 3.610 3.295 3.107 3.611 0.001 6 0 "[ . 1 . 2]" 1
143 1 16 ILE H 1 16 ILE HB . . 3.670 2.709 2.589 2.822 . 0 0 "[ . 1 . 2]" 1
144 1 16 ILE H 1 16 ILE MD . . 4.170 2.473 2.246 2.739 . 0 0 "[ . 1 . 2]" 1
145 1 16 ILE H 1 16 ILE HG12 . . 4.840 4.378 4.200 4.519 . 0 0 "[ . 1 . 2]" 1
146 1 16 ILE H 1 16 ILE HG13 . . 4.740 3.521 3.325 3.660 . 0 0 "[ . 1 . 2]" 1
147 1 16 ILE H 1 16 ILE MG . . 4.160 3.879 3.830 3.930 . 0 0 "[ . 1 . 2]" 1
148 1 16 ILE H 1 17 ALA H . . 4.550 4.363 4.191 4.451 . 0 0 "[ . 1 . 2]" 1
149 1 16 ILE H 1 17 ALA HA . . 5.180 4.881 4.749 5.018 . 0 0 "[ . 1 . 2]" 1
150 1 16 ILE H 1 42 HIS H . . 4.420 4.111 3.475 4.422 0.002 16 0 "[ . 1 . 2]" 1
151 1 16 ILE H 1 42 HIS QB . . 4.590 2.834 2.431 3.329 . 0 0 "[ . 1 . 2]" 1
152 1 16 ILE H 1 43 VAL HA . . 4.050 3.716 3.389 4.032 . 0 0 "[ . 1 . 2]" 1
153 1 16 ILE H 1 44 ILE H . . 4.610 4.570 4.440 4.616 0.006 17 0 "[ . 1 . 2]" 1
154 1 16 ILE H 1 44 ILE QG . . 4.520 3.842 3.502 4.227 . 0 0 "[ . 1 . 2]" 1
155 1 16 ILE H 1 71 VAL QG . . 5.080 4.045 3.731 4.885 . 0 0 "[ . 1 . 2]" 1
156 1 16 ILE H 1 72 ASP H . . 5.170 5.130 4.676 5.181 0.011 11 0 "[ . 1 . 2]" 1
157 1 16 ILE H 1 73 MET H . . 5.070 5.006 4.790 5.077 0.007 15 0 "[ . 1 . 2]" 1
158 1 16 ILE HA 1 16 ILE MD . . 4.480 3.378 3.300 3.500 . 0 0 "[ . 1 . 2]" 1
159 1 16 ILE HA 1 17 ALA H . . 3.070 2.173 2.140 2.202 . 0 0 "[ . 1 . 2]" 1
160 1 16 ILE HA 1 17 ALA MB . . 4.500 3.922 3.877 4.012 . 0 0 "[ . 1 . 2]" 1
161 1 16 ILE HA 1 73 MET H . . 4.010 3.639 3.045 3.831 . 0 0 "[ . 1 . 2]" 1
162 1 16 ILE HA 1 74 VAL H . . 5.500 5.418 5.189 5.507 0.007 19 0 "[ . 1 . 2]" 1
163 1 16 ILE HA 1 74 VAL HA . . 4.710 4.405 4.060 4.688 . 0 0 "[ . 1 . 2]" 1
164 1 16 ILE HB 1 43 VAL H . . 4.890 4.842 4.681 4.897 0.007 15 0 "[ . 1 . 2]" 1
165 1 16 ILE HB 1 43 VAL HA . . 4.290 2.724 2.474 2.877 . 0 0 "[ . 1 . 2]" 1
166 1 16 ILE MD 1 36 LEU HB3 . . 4.000 3.627 3.276 3.955 . 0 0 "[ . 1 . 2]" 1
167 1 16 ILE MD 1 36 LEU MD1 . . 3.740 3.322 2.698 3.637 . 0 0 "[ . 1 . 2]" 1
168 1 16 ILE MD 1 41 TYR H . . 5.240 5.062 4.886 5.239 . 0 0 "[ . 1 . 2]" 1
169 1 16 ILE MD 1 41 TYR HB2 . . 4.490 3.218 2.971 3.464 . 0 0 "[ . 1 . 2]" 1
170 1 16 ILE MD 1 41 TYR HB3 . . 4.250 1.992 1.883 2.160 . 0 0 "[ . 1 . 2]" 1
171 1 16 ILE MD 1 42 HIS H . . 4.390 2.620 2.202 2.960 . 0 0 "[ . 1 . 2]" 1
172 1 16 ILE MD 1 43 VAL QG . . 3.490 3.427 3.121 3.493 0.003 3 0 "[ . 1 . 2]" 1
173 1 16 ILE MD 1 73 MET H . . 5.500 5.424 5.087 5.503 0.003 16 0 "[ . 1 . 2]" 1
174 1 16 ILE HG13 1 36 LEU MD1 . . 4.730 4.026 3.603 4.429 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE HG13 1 73 MET H . . 5.460 5.034 4.332 5.296 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE HG13 1 73 MET QB . . 4.250 2.928 2.348 3.445 . 0 0 "[ . 1 . 2]" 1
177 1 16 ILE MG 1 17 ALA H . . 3.560 2.263 2.074 2.702 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE MG 1 18 LEU HA . . 4.640 4.329 4.047 4.481 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE MG 1 75 ASP H . . 3.680 3.294 2.877 3.685 0.005 3 0 "[ . 1 . 2]" 1
180 1 16 ILE MG 1 75 ASP QB . . 4.260 2.614 1.960 3.741 . 0 0 "[ . 1 . 2]" 1
181 1 17 ALA H 1 17 ALA MB . . 3.190 2.408 2.243 2.556 . 0 0 "[ . 1 . 2]" 1
182 1 17 ALA H 1 71 VAL MG1 . . 4.710 4.395 3.155 4.732 0.022 3 0 "[ . 1 . 2]" 1
183 1 17 ALA H 1 71 VAL QG . . 4.000 2.893 2.554 3.171 . 0 0 "[ . 1 . 2]" 1
184 1 17 ALA H 1 71 VAL MG2 . . 4.710 3.221 2.564 4.714 0.004 19 0 "[ . 1 . 2]" 1
185 1 17 ALA H 1 73 MET H . . 4.500 4.312 3.894 4.502 0.002 2 0 "[ . 1 . 2]" 1
186 1 17 ALA H 1 74 VAL HA . . 3.760 2.825 2.458 3.001 . 0 0 "[ . 1 . 2]" 1
187 1 17 ALA H 1 74 VAL QG . . 3.990 3.845 3.391 3.995 0.005 5 0 "[ . 1 . 2]" 1
188 1 17 ALA HA 1 18 LEU H . . 3.000 2.182 2.142 2.288 . 0 0 "[ . 1 . 2]" 1
189 1 17 ALA HA 1 44 ILE H . . 3.780 2.229 1.948 2.709 . 0 0 "[ . 1 . 2]" 1
190 1 17 ALA HA 1 44 ILE HB . . 4.290 2.263 1.994 2.495 . 0 0 "[ . 1 . 2]" 1
191 1 17 ALA HA 1 44 ILE MG . . 4.030 3.792 3.436 3.987 . 0 0 "[ . 1 . 2]" 1
192 1 17 ALA MB 1 18 LEU HA . . 4.970 4.161 3.920 4.318 . 0 0 "[ . 1 . 2]" 1
193 1 17 ALA MB 1 71 VAL QG . . 2.700 1.742 1.658 1.835 . 0 0 "[ . 1 . 2]" 1
194 1 17 ALA MB 1 74 VAL HA . . 4.100 2.393 1.953 2.969 . 0 0 "[ . 1 . 2]" 1
195 1 17 ALA MB 1 75 ASP H . . 3.890 3.388 2.953 3.900 0.010 3 0 "[ . 1 . 2]" 1
196 1 18 LEU H 1 18 LEU HB2 . . 3.590 2.811 2.292 3.499 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 18 LEU HB3 . . 3.590 2.635 2.324 3.004 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 18 LEU MD1 . . 4.700 4.313 3.978 4.542 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 18 LEU QD . . 4.020 3.746 3.400 3.880 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 18 LEU MD2 . . 4.700 4.142 3.557 4.447 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU H 1 44 ILE H . . 4.080 3.024 2.667 3.694 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU H 1 44 ILE HB . . 3.950 3.601 3.419 3.761 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU H 1 45 PRO HA . . 3.950 2.705 2.471 2.968 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU H 1 46 VAL H . . 4.800 3.984 3.563 4.512 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU HA 1 18 LEU MD1 . . 4.390 2.656 2.148 3.453 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU HA 1 18 LEU QD . . 3.770 2.484 1.992 3.058 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU HA 1 18 LEU MD2 . . 4.390 3.458 2.118 3.954 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU HA 1 18 LEU HG . . 4.150 2.980 2.284 3.694 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU HA 1 19 VAL H . . 3.080 2.172 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU HA 1 75 ASP H . . 3.920 3.794 3.482 3.927 0.007 9 0 "[ . 1 . 2]" 1
211 1 18 LEU HA 1 75 ASP QB . . 4.440 3.349 2.873 4.441 0.001 3 0 "[ . 1 . 2]" 1
212 1 18 LEU HA 1 76 VAL QG . . 5.200 5.029 4.732 5.205 0.005 15 0 "[ . 1 . 2]" 1
213 1 18 LEU QB 1 45 PRO HA . . 4.260 1.978 1.922 1.992 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU QB 1 75 ASP H . . 5.340 5.251 5.061 5.352 0.012 3 0 "[ . 1 . 2]" 1
215 1 18 LEU QD 1 19 VAL H . . 4.330 2.703 1.903 3.419 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU QD 1 21 ALA H . . 3.730 3.520 3.074 3.732 0.002 4 0 "[ . 1 . 2]" 1
217 1 18 LEU QD 1 21 ALA HA . . 3.620 2.611 2.190 3.267 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU QD 1 21 ALA MB . . 3.430 2.126 1.829 2.829 . 0 0 "[ . 1 . 2]" 1
219 1 18 LEU QD 1 22 SER H . . 4.820 4.172 3.655 4.824 0.004 14 0 "[ . 1 . 2]" 1
220 1 18 LEU QD 1 29 SER QB . . 3.740 2.695 2.008 3.397 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU QD 1 33 MET H . . 3.900 3.504 2.835 3.910 0.010 19 0 "[ . 1 . 2]" 1
222 1 18 LEU QD 1 33 MET HA . . 3.640 3.196 2.606 3.610 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU QD 1 33 MET QB . . 3.860 2.553 1.960 3.866 0.006 3 0 "[ . 1 . 2]" 1
224 1 18 LEU QD 1 77 PHE H . . 4.270 3.758 3.024 4.300 0.030 19 0 "[ . 1 . 2]" 1
225 1 18 LEU QD 1 77 PHE QD . . 3.880 2.243 1.863 3.711 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU QD 1 77 PHE QE . . 4.020 2.721 1.961 3.828 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU QD 1 78 ARG H . . 5.040 4.604 3.822 5.043 0.003 6 0 "[ . 1 . 2]" 1
228 1 18 LEU MD1 1 33 MET H . . 5.110 4.070 2.860 5.115 0.005 8 0 "[ . 1 . 2]" 1
229 1 18 LEU MD2 1 33 MET H . . 5.110 4.246 3.456 5.109 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU HG 1 19 VAL H . . 4.800 3.156 2.462 4.797 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HG 1 46 VAL H . . 5.500 4.697 2.850 5.508 0.008 8 0 "[ . 1 . 2]" 1
232 1 18 LEU HG 1 77 PHE QE . . 5.300 4.942 3.546 5.302 0.002 6 0 "[ . 1 . 2]" 1
233 1 19 VAL H 1 19 VAL HB . . 3.330 2.595 2.513 2.778 . 0 0 "[ . 1 . 2]" 1
234 1 19 VAL H 1 19 VAL MG1 . . 4.000 3.735 1.997 3.849 . 0 0 "[ . 1 . 2]" 1
235 1 19 VAL H 1 19 VAL QG . . 3.060 2.554 1.990 2.727 . 0 0 "[ . 1 . 2]" 1
236 1 19 VAL H 1 19 VAL MG2 . . 4.000 2.688 2.328 3.835 . 0 0 "[ . 1 . 2]" 1
237 1 19 VAL H 1 20 GLY H . . 4.670 4.398 4.168 4.512 . 0 0 "[ . 1 . 2]" 1
238 1 19 VAL H 1 75 ASP QB . . 4.900 4.570 4.040 4.917 0.017 3 0 "[ . 1 . 2]" 1
239 1 19 VAL H 1 76 VAL HA . . 3.920 3.685 3.326 3.924 0.004 11 0 "[ . 1 . 2]" 1
240 1 19 VAL H 1 76 VAL QG . . 4.380 4.135 3.816 4.325 . 0 0 "[ . 1 . 2]" 1
241 1 19 VAL H 1 77 PHE H . . 4.350 4.114 3.376 4.400 0.050 19 0 "[ . 1 . 2]" 1
242 1 19 VAL H 1 78 ARG QG . . 5.500 4.388 4.013 5.147 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL HA 1 19 VAL MG1 . . 3.460 2.353 2.238 3.197 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL HA 1 19 VAL QG . . 2.990 2.083 2.043 2.299 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL HA 1 19 VAL MG2 . . 3.460 2.346 2.288 2.406 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL HA 1 20 GLY H . . 2.930 2.158 2.144 2.193 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL HA 1 21 ALA MB . . 4.880 4.697 4.349 4.882 0.002 7 0 "[ . 1 . 2]" 1
248 1 19 VAL HA 1 46 VAL H . . 3.600 3.192 2.929 3.567 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL HA 1 46 VAL HB . . 4.190 3.180 2.850 4.257 0.067 8 0 "[ . 1 . 2]" 1
250 1 19 VAL HB 1 20 GLY H . . 4.480 4.202 3.976 4.399 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL HB 1 77 PHE H . . 4.430 4.324 4.086 4.434 0.004 2 0 "[ . 1 . 2]" 1
252 1 19 VAL QG 1 20 GLY H . . 3.240 2.539 2.205 3.055 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL QG 1 46 VAL QG . . 4.670 3.460 2.453 4.097 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL QG 1 76 VAL HA . . 4.740 3.433 1.969 3.783 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL QG 1 78 ARG QB . . 4.540 3.912 2.101 4.258 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL QG 1 78 ARG QD . . 3.630 2.210 1.847 3.157 . 0 0 "[ . 1 . 2]" 1
257 1 19 VAL QG 1 78 ARG QG . . 3.640 3.265 1.975 3.641 0.001 4 0 "[ . 1 . 2]" 1
258 1 19 VAL MG1 1 20 GLY H . . 4.160 2.642 2.216 3.794 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL MG2 1 20 GLY H . . 4.160 3.998 2.305 4.163 0.003 4 0 "[ . 1 . 2]" 1
260 1 20 GLY H 1 21 ALA H . . 2.870 2.661 2.425 2.875 0.005 11 0 "[ . 1 . 2]" 1
261 1 20 GLY H 1 21 ALA MB . . 4.380 4.046 3.732 4.229 . 0 0 "[ . 1 . 2]" 1
262 1 20 GLY H 1 46 VAL H . . 4.210 3.491 2.997 4.047 . 0 0 "[ . 1 . 2]" 1
263 1 20 GLY H 1 46 VAL HB . . 4.480 3.803 3.270 4.442 . 0 0 "[ . 1 . 2]" 1
264 1 20 GLY H 1 46 VAL QG . . 4.610 3.948 1.830 4.259 . 0 0 "[ . 1 . 2]" 1
265 1 20 GLY H 1 78 ARG QG . . 4.780 4.683 4.028 4.787 0.007 11 0 "[ . 1 . 2]" 1
266 1 20 GLY HA2 1 21 ALA H . . 3.540 2.631 2.417 2.946 . 0 0 "[ . 1 . 2]" 1
267 1 20 GLY HA2 1 47 SER HA . . 3.370 3.230 2.806 3.376 0.006 9 0 "[ . 1 . 2]" 1
268 1 20 GLY HA2 1 47 SER QB . . 4.000 3.337 2.499 3.897 . 0 0 "[ . 1 . 2]" 1
269 1 20 GLY HA2 1 78 ARG QD . . 3.930 3.520 3.029 3.930 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLY HA3 1 78 ARG QD . . 3.440 2.267 1.927 2.978 . 0 0 "[ . 1 . 2]" 1
271 1 21 ALA H 1 21 ALA MB . . 2.750 2.238 2.082 2.386 . 0 0 "[ . 1 . 2]" 1
272 1 21 ALA H 1 22 SER HA . . 5.500 5.223 4.882 5.438 . 0 0 "[ . 1 . 2]" 1
273 1 21 ALA H 1 46 VAL H . . 3.890 3.540 2.814 3.895 0.005 19 0 "[ . 1 . 2]" 1
274 1 21 ALA H 1 47 SER HB2 . . 4.120 2.592 2.071 3.838 . 0 0 "[ . 1 . 2]" 1
275 1 21 ALA H 1 47 SER HB3 . . 4.120 3.552 2.537 4.123 0.003 12 0 "[ . 1 . 2]" 1
276 1 21 ALA HA 1 22 SER H . . 3.080 2.188 2.141 2.318 . 0 0 "[ . 1 . 2]" 1
277 1 21 ALA HA 1 29 SER QB . . 4.390 3.939 3.514 4.398 0.008 15 0 "[ . 1 . 2]" 1
278 1 21 ALA MB 1 22 SER H . . 3.630 3.304 2.689 3.601 . 0 0 "[ . 1 . 2]" 1
279 1 21 ALA MB 1 45 PRO HA . . 3.570 2.951 2.542 3.313 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA MB 1 45 PRO QB . . 3.520 1.906 1.839 2.100 . 0 0 "[ . 1 . 2]" 1
281 1 21 ALA MB 1 46 VAL H . . 3.340 2.994 2.472 3.336 . 0 0 "[ . 1 . 2]" 1
282 1 21 ALA MB 1 47 SER HB2 . . 4.720 3.294 2.619 4.232 . 0 0 "[ . 1 . 2]" 1
283 1 21 ALA MB 1 47 SER QB . . 3.970 2.959 2.584 3.781 . 0 0 "[ . 1 . 2]" 1
284 1 21 ALA MB 1 47 SER HB3 . . 4.720 3.776 2.690 4.597 . 0 0 "[ . 1 . 2]" 1
285 1 21 ALA MB 1 50 VAL HB . . 5.500 4.127 3.281 5.329 . 0 0 "[ . 1 . 2]" 1
286 1 21 ALA MB 1 50 VAL QG . . 4.810 2.811 2.180 3.428 . 0 0 "[ . 1 . 2]" 1
287 1 22 SER H 1 22 SER HB2 . . 3.720 3.004 2.552 3.728 0.008 5 0 "[ . 1 . 2]" 1
288 1 22 SER H 1 22 SER HB3 . . 3.720 3.319 2.756 3.740 0.020 16 0 "[ . 1 . 2]" 1
289 1 22 SER H 1 24 LYS H . . 4.480 3.841 3.705 4.020 . 0 0 "[ . 1 . 2]" 1
290 1 22 SER H 1 24 LYS QB . . 5.500 4.466 4.231 5.542 0.042 15 0 "[ . 1 . 2]" 1
291 1 22 SER H 1 29 SER QB . . 4.450 4.417 4.192 4.469 0.019 15 0 "[ . 1 . 2]" 1
292 1 22 SER HA 1 23 ASP H . . 3.110 2.694 2.628 2.729 . 0 0 "[ . 1 . 2]" 1
293 1 22 SER QB 1 23 ASP H . . 3.740 2.260 1.859 2.791 . 0 0 "[ . 1 . 2]" 1
294 1 22 SER QB 1 24 LYS H . . 3.340 2.997 2.865 3.337 . 0 0 "[ . 1 . 2]" 1
295 1 22 SER HB2 1 23 ASP H . . 4.270 3.036 1.943 3.640 . 0 0 "[ . 1 . 2]" 1
296 1 22 SER HB3 1 23 ASP H . . 4.270 2.577 1.872 3.371 . 0 0 "[ . 1 . 2]" 1
297 1 23 ASP H 1 23 ASP HB2 . . 4.040 3.281 2.694 3.671 . 0 0 "[ . 1 . 2]" 1
298 1 23 ASP H 1 23 ASP QB . . 3.550 2.679 2.341 2.895 . 0 0 "[ . 1 . 2]" 1
299 1 23 ASP H 1 23 ASP HB3 . . 4.040 2.982 2.570 3.679 . 0 0 "[ . 1 . 2]" 1
300 1 23 ASP H 1 24 LYS QB . . 4.510 4.533 4.510 4.636 0.126 15 0 "[ . 1 . 2]" 1
301 1 23 ASP H 1 24 LYS QG . . 3.840 3.715 3.372 3.817 . 0 0 "[ . 1 . 2]" 1
302 1 23 ASP H 1 55 LEU MD1 . . 5.330 4.772 4.247 5.222 . 0 0 "[ . 1 . 2]" 1
303 1 23 ASP H 1 55 LEU QD . . 4.600 4.336 4.064 4.601 0.001 14 0 "[ . 1 . 2]" 1
304 1 23 ASP H 1 55 LEU MD2 . . 5.330 5.058 4.395 5.337 0.007 8 0 "[ . 1 . 2]" 1
305 1 23 ASP HA 1 30 TYR QD . . 3.600 3.531 3.301 3.617 0.017 20 0 "[ . 1 . 2]" 1
306 1 23 ASP HA 1 30 TYR QE . . 4.060 2.361 2.004 2.840 . 0 0 "[ . 1 . 2]" 1
307 1 23 ASP HA 1 55 LEU QD . . 3.500 3.431 3.188 3.507 0.007 12 0 "[ . 1 . 2]" 1
308 1 23 ASP QB 1 55 LEU QD . . 3.740 3.679 3.272 3.748 0.008 11 0 "[ . 1 . 2]" 1
309 1 24 LYS H 1 24 LYS QB . . 2.920 2.402 2.339 3.064 0.144 15 0 "[ . 1 . 2]" 1
310 1 24 LYS H 1 24 LYS QD . . 4.260 4.147 1.909 4.273 0.013 20 0 "[ . 1 . 2]" 1
311 1 24 LYS H 1 24 LYS HG2 . . 4.160 3.211 3.166 3.520 . 0 0 "[ . 1 . 2]" 1
312 1 24 LYS H 1 24 LYS QG . . 3.320 3.045 2.035 3.122 . 0 0 "[ . 1 . 2]" 1
313 1 24 LYS H 1 24 LYS HG3 . . 4.160 4.062 2.048 4.180 0.020 20 0 "[ . 1 . 2]" 1
314 1 24 LYS H 1 25 PRO QD . . 4.600 3.512 3.354 3.690 . 0 0 "[ . 1 . 2]" 1
315 1 24 LYS H 1 30 TYR QE . . 4.110 3.625 3.187 4.125 0.015 19 0 "[ . 1 . 2]" 1
316 1 24 LYS HA 1 24 LYS QD . . 4.350 2.195 2.033 3.550 . 0 0 "[ . 1 . 2]" 1
317 1 24 LYS HA 1 24 LYS QG . . 3.550 2.699 2.647 3.378 . 0 0 "[ . 1 . 2]" 1
318 1 24 LYS HA 1 25 PRO HD2 . . 3.360 1.975 1.933 2.025 . 0 0 "[ . 1 . 2]" 1
319 1 24 LYS HA 1 25 PRO HD3 . . 3.360 2.735 2.627 2.830 . 0 0 "[ . 1 . 2]" 1
320 1 24 LYS HA 1 25 PRO QG . . 4.450 3.837 3.800 3.876 . 0 0 "[ . 1 . 2]" 1
321 1 24 LYS QB 1 26 ASP H . . 3.170 3.179 3.056 3.206 0.036 4 0 "[ . 1 . 2]" 1
322 1 24 LYS QD 1 25 PRO HD2 . . 4.780 3.339 3.036 4.730 . 0 0 "[ . 1 . 2]" 1
323 1 24 LYS QD 1 25 PRO QD . . 3.930 3.228 2.972 4.034 0.104 15 0 "[ . 1 . 2]" 1
324 1 24 LYS QD 1 25 PRO HD3 . . 4.780 4.423 4.236 4.482 . 0 0 "[ . 1 . 2]" 1
325 1 24 LYS QD 1 26 ASP H . . 4.010 3.687 3.560 4.105 0.095 15 0 "[ . 1 . 2]" 1
326 1 25 PRO HA 1 27 ARG H . . 3.860 3.459 3.377 3.532 . 0 0 "[ . 1 . 2]" 1
327 1 25 PRO HA 1 30 TYR HA . . 4.980 4.810 4.677 4.971 . 0 0 "[ . 1 . 2]" 1
328 1 25 PRO HA 1 30 TYR QD . . 4.100 2.914 2.623 3.013 . 0 0 "[ . 1 . 2]" 1
329 1 25 PRO HA 1 30 TYR QE . . 4.040 3.981 3.763 4.063 0.023 15 0 "[ . 1 . 2]" 1
330 1 25 PRO QB 1 26 ASP H . . 4.230 3.617 3.598 3.712 . 0 0 "[ . 1 . 2]" 1
331 1 25 PRO QB 1 30 TYR HB3 . . 4.610 4.073 3.856 4.376 . 0 0 "[ . 1 . 2]" 1
332 1 25 PRO QB 1 30 TYR QD . . 4.550 3.685 3.388 3.899 . 0 0 "[ . 1 . 2]" 1
333 1 25 PRO QB 1 30 TYR QE . . 5.190 3.641 3.257 3.752 . 0 0 "[ . 1 . 2]" 1
334 1 25 PRO HD2 1 26 ASP H . . 4.100 2.877 2.854 3.015 . 0 0 "[ . 1 . 2]" 1
335 1 25 PRO HD3 1 26 ASP H . . 4.100 3.963 3.952 4.036 . 0 0 "[ . 1 . 2]" 1
336 1 26 ASP H 1 26 ASP HB2 . . 4.020 2.735 2.290 3.698 . 0 0 "[ . 1 . 2]" 1
337 1 26 ASP H 1 26 ASP QB . . 3.210 2.451 2.264 2.813 . 0 0 "[ . 1 . 2]" 1
338 1 26 ASP H 1 26 ASP HB3 . . 4.020 3.159 2.628 3.679 . 0 0 "[ . 1 . 2]" 1
339 1 26 ASP H 1 27 ARG H . . 2.920 2.673 2.445 2.745 . 0 0 "[ . 1 . 2]" 1
340 1 26 ASP H 1 30 TYR HB3 . . 4.810 4.754 4.547 4.822 0.012 1 0 "[ . 1 . 2]" 1
341 1 26 ASP HA 1 30 TYR HB3 . . 5.500 5.394 5.224 5.510 0.010 16 0 "[ . 1 . 2]" 1
342 1 27 ARG H 1 28 PRO QD . . 4.500 4.359 4.351 4.371 . 0 0 "[ . 1 . 2]" 1
343 1 27 ARG H 1 30 TYR H . . 4.310 3.884 3.837 4.043 . 0 0 "[ . 1 . 2]" 1
344 1 27 ARG H 1 30 TYR HB2 . . 4.170 3.543 3.269 3.859 . 0 0 "[ . 1 . 2]" 1
345 1 27 ARG H 1 30 TYR QD . . 4.830 4.795 4.522 4.866 0.036 19 0 "[ . 1 . 2]" 1
346 1 28 PRO HA 1 31 ARG H . . 4.660 3.491 3.426 3.575 . 0 0 "[ . 1 . 2]" 1
347 1 28 PRO HA 1 31 ARG QB . . 3.770 3.353 3.200 3.852 0.082 12 0 "[ . 1 . 2]" 1
348 1 28 PRO HA 1 31 ARG QD . . 4.150 2.441 1.956 3.977 . 0 0 "[ . 1 . 2]" 1
349 1 28 PRO HA 1 32 VAL QG . . 4.460 3.845 3.512 4.464 0.004 13 0 "[ . 1 . 2]" 1
350 1 28 PRO QB 1 30 TYR H . . 5.340 4.918 4.776 4.984 . 0 0 "[ . 1 . 2]" 1
351 1 28 PRO QD 1 29 SER H . . 3.900 2.676 2.623 2.744 . 0 0 "[ . 1 . 2]" 1
352 1 28 PRO QD 1 77 PHE QB . . 5.170 4.984 4.467 5.195 0.025 19 0 "[ . 1 . 2]" 1
353 1 28 PRO HG2 1 29 SER H . . 3.210 2.778 2.584 2.966 . 0 0 "[ . 1 . 2]" 1
354 1 28 PRO HG2 1 30 TYR H . . 5.500 5.123 4.922 5.285 . 0 0 "[ . 1 . 2]" 1
355 1 28 PRO HG3 1 77 PHE QB . . 4.900 4.757 4.391 4.902 0.002 15 0 "[ . 1 . 2]" 1
356 1 29 SER H 1 29 SER HA . . 2.920 2.869 2.858 2.872 . 0 0 "[ . 1 . 2]" 1
357 1 29 SER H 1 29 SER HB2 . . 3.660 2.922 2.154 3.609 . 0 0 "[ . 1 . 2]" 1
358 1 29 SER H 1 29 SER QB . . 3.110 2.626 2.133 2.941 . 0 0 "[ . 1 . 2]" 1
359 1 29 SER H 1 29 SER HB3 . . 3.660 3.250 2.561 3.616 . 0 0 "[ . 1 . 2]" 1
360 1 29 SER H 1 30 TYR H . . 3.710 2.431 2.422 2.472 . 0 0 "[ . 1 . 2]" 1
361 1 29 SER H 1 31 ARG H . . 4.530 4.157 4.061 4.322 . 0 0 "[ . 1 . 2]" 1
362 1 29 SER H 1 77 PHE QB . . 4.540 3.915 3.394 4.557 0.017 19 0 "[ . 1 . 2]" 1
363 1 29 SER HA 1 31 ARG QG . . 4.600 4.440 4.233 4.556 . 0 0 "[ . 1 . 2]" 1
364 1 29 SER HA 1 32 VAL H . . 4.230 3.960 3.866 3.991 . 0 0 "[ . 1 . 2]" 1
365 1 29 SER HA 1 33 MET H . . 4.940 4.606 4.417 4.851 . 0 0 "[ . 1 . 2]" 1
366 1 29 SER HA 1 77 PHE QB . . 3.560 2.348 2.021 3.419 . 0 0 "[ . 1 . 2]" 1
367 1 29 SER HA 1 78 ARG H . . 5.500 5.491 5.296 5.524 0.024 19 0 "[ . 1 . 2]" 1
368 1 29 SER QB 1 30 TYR H . . 4.400 3.137 2.855 3.567 . 0 0 "[ . 1 . 2]" 1
369 1 30 TYR H 1 30 TYR HB2 . . 3.220 2.453 2.412 2.577 . 0 0 "[ . 1 . 2]" 1
370 1 30 TYR H 1 30 TYR HB3 . . 3.230 2.768 2.633 2.822 . 0 0 "[ . 1 . 2]" 1
371 1 30 TYR H 1 30 TYR QD . . 4.370 4.218 4.193 4.242 . 0 0 "[ . 1 . 2]" 1
372 1 30 TYR H 1 31 ARG H . . 3.190 2.392 2.368 2.438 . 0 0 "[ . 1 . 2]" 1
373 1 30 TYR H 1 31 ARG QG . . 4.130 3.790 3.351 3.953 . 0 0 "[ . 1 . 2]" 1
374 1 30 TYR H 1 32 VAL H . . 4.370 3.807 3.746 3.882 . 0 0 "[ . 1 . 2]" 1
375 1 30 TYR H 1 33 MET H . . 4.750 4.625 4.492 4.748 . 0 0 "[ . 1 . 2]" 1
376 1 30 TYR HA 1 30 TYR QD . . 4.160 3.027 2.970 3.078 . 0 0 "[ . 1 . 2]" 1
377 1 30 TYR HA 1 56 LEU QD . . 5.000 4.801 4.291 5.002 0.002 8 0 "[ . 1 . 2]" 1
378 1 30 TYR HB2 1 31 ARG H . . 3.810 3.583 3.502 3.730 . 0 0 "[ . 1 . 2]" 1
379 1 30 TYR HB3 1 31 ARG H . . 3.330 2.489 2.413 2.536 . 0 0 "[ . 1 . 2]" 1
380 1 30 TYR HB3 1 31 ARG HA . . 4.700 3.932 3.892 4.047 . 0 0 "[ . 1 . 2]" 1
381 1 30 TYR QD 1 31 ARG H . . 3.870 3.816 3.602 3.875 0.005 10 0 "[ . 1 . 2]" 1
382 1 30 TYR QD 1 31 ARG HA . . 3.890 3.423 3.150 3.520 . 0 0 "[ . 1 . 2]" 1
383 1 30 TYR QD 1 33 MET H . . 5.040 4.636 4.332 5.042 0.002 19 0 "[ . 1 . 2]" 1
384 1 30 TYR QD 1 34 LYS H . . 4.410 3.562 3.218 4.146 . 0 0 "[ . 1 . 2]" 1
385 1 30 TYR QD 1 34 LYS HB2 . . 4.760 3.458 3.060 3.988 . 0 0 "[ . 1 . 2]" 1
386 1 30 TYR QD 1 34 LYS HB3 . . 4.310 3.961 3.593 4.216 . 0 0 "[ . 1 . 2]" 1
387 1 30 TYR QD 1 55 LEU QD . . 4.330 4.313 4.195 4.334 0.004 9 0 "[ . 1 . 2]" 1
388 1 30 TYR QE 1 34 LYS H . . 5.220 4.328 4.009 4.603 . 0 0 "[ . 1 . 2]" 1
389 1 30 TYR QE 1 34 LYS HB2 . . 3.720 2.987 2.681 3.214 . 0 0 "[ . 1 . 2]" 1
390 1 30 TYR QE 1 55 LEU QD . . 3.510 3.176 2.854 3.513 0.003 20 0 "[ . 1 . 2]" 1
391 1 30 TYR QE 1 56 LEU MD1 . . 4.140 2.892 2.105 3.492 . 0 0 "[ . 1 . 2]" 1
392 1 30 TYR QE 1 56 LEU QD . . 3.550 2.681 2.039 3.257 . 0 0 "[ . 1 . 2]" 1
393 1 30 TYR QE 1 56 LEU MD2 . . 4.140 3.322 2.724 4.140 0.000 19 0 "[ . 1 . 2]" 1
394 1 30 TYR QE 1 56 LEU HG . . 4.590 4.346 3.461 4.592 0.002 9 0 "[ . 1 . 2]" 1
395 1 31 ARG H 1 31 ARG QB . . 2.840 2.330 2.269 2.635 . 0 0 "[ . 1 . 2]" 1
396 1 31 ARG H 1 31 ARG QG . . 3.560 2.438 1.990 2.578 . 0 0 "[ . 1 . 2]" 1
397 1 31 ARG H 1 32 VAL H . . 3.510 2.755 2.745 2.785 . 0 0 "[ . 1 . 2]" 1
398 1 31 ARG H 1 32 VAL HA . . 5.450 5.356 5.344 5.384 . 0 0 "[ . 1 . 2]" 1
399 1 31 ARG H 1 32 VAL QG . . 4.490 3.996 3.616 4.167 . 0 0 "[ . 1 . 2]" 1
400 1 31 ARG HA 1 31 ARG QG . . 3.870 3.343 3.320 3.433 . 0 0 "[ . 1 . 2]" 1
401 1 31 ARG HA 1 34 LYS H . . 4.250 4.110 4.010 4.224 . 0 0 "[ . 1 . 2]" 1
402 1 31 ARG QB 1 31 ARG QD . . 3.000 2.278 2.047 2.502 . 0 0 "[ . 1 . 2]" 1
403 1 31 ARG QB 1 32 VAL H . . 4.160 3.482 3.372 3.530 . 0 0 "[ . 1 . 2]" 1
404 1 31 ARG QD 1 32 VAL H . . 4.390 3.978 2.838 4.287 . 0 0 "[ . 1 . 2]" 1
405 1 31 ARG QG 1 33 MET H . . 4.490 4.332 4.188 4.426 . 0 0 "[ . 1 . 2]" 1
406 1 32 VAL H 1 32 VAL MG1 . . 3.990 3.209 1.919 3.781 . 0 0 "[ . 1 . 2]" 1
407 1 32 VAL H 1 32 VAL QG . . 2.990 2.114 1.837 2.295 . 0 0 "[ . 1 . 2]" 1
408 1 32 VAL H 1 32 VAL MG2 . . 3.990 2.494 1.921 3.780 . 0 0 "[ . 1 . 2]" 1
409 1 32 VAL H 1 33 MET H . . 3.490 2.458 2.432 2.489 . 0 0 "[ . 1 . 2]" 1
410 1 32 VAL H 1 34 LYS H . . 4.690 4.572 4.450 4.701 0.011 20 0 "[ . 1 . 2]" 1
411 1 32 VAL H 1 35 TYR QD . . 5.270 5.238 5.148 5.305 0.035 18 0 "[ . 1 . 2]" 1
412 1 32 VAL HA 1 32 VAL MG1 . . 3.700 2.502 2.228 3.204 . 0 0 "[ . 1 . 2]" 1
413 1 32 VAL HA 1 32 VAL QG . . 3.020 2.160 2.052 2.322 . 0 0 "[ . 1 . 2]" 1
414 1 32 VAL HA 1 32 VAL MG2 . . 3.700 2.508 2.183 3.198 . 0 0 "[ . 1 . 2]" 1
415 1 32 VAL HA 1 34 LYS H . . 5.230 4.931 4.747 5.129 . 0 0 "[ . 1 . 2]" 1
416 1 32 VAL HA 1 35 TYR H . . 3.610 3.447 3.326 3.612 0.002 1 0 "[ . 1 . 2]" 1
417 1 32 VAL HA 1 35 TYR QB . . 4.560 2.027 1.960 2.175 . 0 0 "[ . 1 . 2]" 1
418 1 32 VAL HA 1 35 TYR QD . . 4.320 2.495 2.392 2.590 . 0 0 "[ . 1 . 2]" 1
419 1 32 VAL HA 1 35 TYR QE . . 4.760 4.644 4.539 4.718 . 0 0 "[ . 1 . 2]" 1
420 1 32 VAL HA 1 36 LEU H . . 4.250 3.923 3.576 4.143 . 0 0 "[ . 1 . 2]" 1
421 1 32 VAL HA 1 127 ALA MB . . 4.130 4.112 3.972 4.140 0.010 15 0 "[ . 1 . 2]" 1
422 1 32 VAL HB 1 33 MET H . . 3.930 3.130 2.616 3.963 0.033 3 0 "[ . 1 . 2]" 1
423 1 32 VAL HB 1 35 TYR QD . . 4.580 4.333 3.326 4.616 0.036 20 0 "[ . 1 . 2]" 1
424 1 32 VAL QG 1 35 TYR H . . 4.660 4.192 4.038 4.491 . 0 0 "[ . 1 . 2]" 1
425 1 32 VAL QG 1 36 LEU H . . 5.440 3.703 3.282 4.784 . 0 0 "[ . 1 . 2]" 1
426 1 32 VAL QG 1 101 GLN HE22 . . 4.350 3.596 2.886 4.357 0.007 13 0 "[ . 1 . 2]" 1
427 1 32 VAL MG1 1 33 MET H . . 4.050 3.343 2.009 4.005 . 0 0 "[ . 1 . 2]" 1
428 1 32 VAL MG1 1 35 TYR H . . 5.380 4.585 4.231 5.299 . 0 0 "[ . 1 . 2]" 1
429 1 32 VAL MG1 1 101 GLN HE22 . . 5.500 4.768 3.398 5.502 0.002 2 0 "[ . 1 . 2]" 1
430 1 32 VAL MG2 1 33 MET H . . 4.050 3.573 2.046 3.878 . 0 0 "[ . 1 . 2]" 1
431 1 32 VAL MG2 1 35 TYR H . . 5.380 4.980 4.383 5.224 . 0 0 "[ . 1 . 2]" 1
432 1 32 VAL MG2 1 101 GLN HE22 . . 5.500 3.928 2.927 5.241 . 0 0 "[ . 1 . 2]" 1
433 1 33 MET H 1 33 MET HB2 . . 3.380 2.390 2.077 2.672 . 0 0 "[ . 1 . 2]" 1
434 1 33 MET H 1 33 MET QB . . 2.920 2.192 2.058 2.251 . 0 0 "[ . 1 . 2]" 1
435 1 33 MET H 1 33 MET HB3 . . 3.380 2.701 2.383 3.358 . 0 0 "[ . 1 . 2]" 1
436 1 33 MET H 1 34 LYS H . . 3.600 2.940 2.854 3.014 . 0 0 "[ . 1 . 2]" 1
437 1 33 MET H 1 35 TYR H . . 4.100 3.732 3.651 3.791 . 0 0 "[ . 1 . 2]" 1
438 1 33 MET HA 1 35 TYR H . . 4.420 4.084 4.011 4.186 . 0 0 "[ . 1 . 2]" 1
439 1 33 MET HA 1 36 LEU H . . 4.020 3.766 3.674 3.862 . 0 0 "[ . 1 . 2]" 1
440 1 33 MET HA 1 36 LEU MD1 . . 4.540 3.573 3.200 4.037 . 0 0 "[ . 1 . 2]" 1
441 1 33 MET QB 1 34 LYS H . . 3.250 2.143 2.006 2.313 . 0 0 "[ . 1 . 2]" 1
442 1 33 MET HB2 1 34 LYS H . . 3.830 3.485 2.746 3.738 . 0 0 "[ . 1 . 2]" 1
443 1 33 MET HB3 1 34 LYS H . . 3.830 2.169 2.018 2.490 . 0 0 "[ . 1 . 2]" 1
444 1 34 LYS H 1 34 LYS HB2 . . 3.280 2.414 2.209 2.681 . 0 0 "[ . 1 . 2]" 1
445 1 34 LYS H 1 34 LYS HB3 . . 3.210 2.648 2.396 2.891 . 0 0 "[ . 1 . 2]" 1
446 1 34 LYS H 1 35 TYR H . . 3.540 2.610 2.520 2.681 . 0 0 "[ . 1 . 2]" 1
447 1 34 LYS H 1 36 LEU H . . 4.630 4.545 4.405 4.631 0.001 7 0 "[ . 1 . 2]" 1
448 1 34 LYS H 1 37 LEU H . . 5.080 4.884 4.738 5.027 . 0 0 "[ . 1 . 2]" 1
449 1 34 LYS H 1 56 LEU QD . . 3.560 3.410 3.044 3.565 0.005 9 0 "[ . 1 . 2]" 1
450 1 34 LYS HA 1 37 LEU H . . 4.170 3.446 3.279 3.592 . 0 0 "[ . 1 . 2]" 1
451 1 34 LYS HA 1 37 LEU QB . . 3.560 2.356 2.153 2.629 . 0 0 "[ . 1 . 2]" 1
452 1 34 LYS HA 1 37 LEU QD . . 3.790 2.698 1.978 3.041 . 0 0 "[ . 1 . 2]" 1
453 1 34 LYS HA 1 38 ASP H . . 3.980 3.843 3.576 3.976 . 0 0 "[ . 1 . 2]" 1
454 1 34 LYS HA 1 43 VAL QG . . 5.220 4.582 4.159 5.042 . 0 0 "[ . 1 . 2]" 1
455 1 34 LYS HA 1 56 LEU QD . . 5.440 2.671 2.231 2.826 . 0 0 "[ . 1 . 2]" 1
456 1 34 LYS HB2 1 35 TYR H . . 4.170 4.017 3.832 4.171 0.001 18 0 "[ . 1 . 2]" 1
457 1 34 LYS HB2 1 56 LEU QD . . 4.430 2.590 2.214 3.103 . 0 0 "[ . 1 . 2]" 1
458 1 34 LYS HB3 1 35 TYR H . . 3.340 3.054 2.953 3.102 . 0 0 "[ . 1 . 2]" 1
459 1 34 LYS HB3 1 35 TYR QB . . 4.730 4.332 4.271 4.393 . 0 0 "[ . 1 . 2]" 1
460 1 35 TYR H 1 35 TYR HB2 . . 3.230 3.007 2.961 3.065 . 0 0 "[ . 1 . 2]" 1
461 1 35 TYR H 1 35 TYR HB3 . . 3.230 2.170 2.137 2.213 . 0 0 "[ . 1 . 2]" 1
462 1 35 TYR H 1 35 TYR QD . . 3.960 3.959 3.888 3.986 0.026 18 0 "[ . 1 . 2]" 1
463 1 35 TYR H 1 36 LEU H . . 3.500 2.640 2.568 2.762 . 0 0 "[ . 1 . 2]" 1
464 1 35 TYR H 1 36 LEU HB2 . . 5.500 4.691 4.497 4.847 . 0 0 "[ . 1 . 2]" 1
465 1 35 TYR H 1 36 LEU MD1 . . 5.500 5.397 5.146 5.502 0.002 2 0 "[ . 1 . 2]" 1
466 1 35 TYR H 1 37 LEU H . . 4.270 3.850 3.643 4.038 . 0 0 "[ . 1 . 2]" 1
467 1 35 TYR H 1 56 LEU QD . . 5.160 5.013 4.673 5.148 . 0 0 "[ . 1 . 2]" 1
468 1 35 TYR HA 1 35 TYR QD . . 3.580 2.774 2.718 2.873 . 0 0 "[ . 1 . 2]" 1
469 1 35 TYR HA 1 37 LEU H . . 4.920 4.386 4.239 4.590 . 0 0 "[ . 1 . 2]" 1
470 1 35 TYR HA 1 38 ASP H . . 4.360 3.701 3.525 3.795 . 0 0 "[ . 1 . 2]" 1
471 1 35 TYR HA 1 38 ASP QB . . 4.140 3.038 2.591 3.377 . 0 0 "[ . 1 . 2]" 1
472 1 35 TYR HA 1 39 GLN H . . 4.540 4.173 3.930 4.465 . 0 0 "[ . 1 . 2]" 1
473 1 35 TYR QB 1 36 LEU H . . 3.580 2.658 2.622 2.722 . 0 0 "[ . 1 . 2]" 1
474 1 35 TYR HB2 1 36 LEU H . . 4.260 3.989 3.956 4.036 . 0 0 "[ . 1 . 2]" 1
475 1 35 TYR HB3 1 36 LEU H . . 4.260 2.699 2.661 2.768 . 0 0 "[ . 1 . 2]" 1
476 1 35 TYR QD 1 36 LEU H . . 4.040 3.020 2.821 3.170 . 0 0 "[ . 1 . 2]" 1
477 1 35 TYR QD 1 36 LEU HA . . 4.000 3.850 3.593 3.952 . 0 0 "[ . 1 . 2]" 1
478 1 35 TYR QD 1 36 LEU MD2 . . 3.920 3.073 2.853 3.412 . 0 0 "[ . 1 . 2]" 1
479 1 35 TYR QD 1 127 ALA H . . 5.500 5.156 4.636 5.522 0.022 20 0 "[ . 1 . 2]" 1
480 1 35 TYR QD 1 127 ALA HA . . 4.080 3.954 3.692 4.093 0.013 19 0 "[ . 1 . 2]" 1
481 1 35 TYR QD 1 127 ALA MB . . 3.690 3.620 3.486 3.698 0.008 3 0 "[ . 1 . 2]" 1
482 1 35 TYR QE 1 36 LEU H . . 4.800 4.705 4.487 4.805 0.005 18 0 "[ . 1 . 2]" 1
483 1 35 TYR QE 1 36 LEU HA . . 4.270 4.154 4.013 4.244 . 0 0 "[ . 1 . 2]" 1
484 1 35 TYR QE 1 36 LEU MD2 . . 4.130 2.330 1.989 2.868 . 0 0 "[ . 1 . 2]" 1
485 1 35 TYR QE 1 36 LEU HG . . 4.200 3.269 2.844 3.664 . 0 0 "[ . 1 . 2]" 1
486 1 35 TYR QE 1 127 ALA H . . 4.270 3.755 3.312 4.278 0.008 18 0 "[ . 1 . 2]" 1
487 1 35 TYR QE 1 127 ALA HA . . 3.660 2.658 1.980 2.963 . 0 0 "[ . 1 . 2]" 1
488 1 35 TYR QE 1 127 ALA MB . . 4.440 3.361 2.993 3.570 . 0 0 "[ . 1 . 2]" 1
489 1 35 TYR QE 1 130 LEU QB . . 3.500 3.513 3.496 3.527 0.027 10 0 "[ . 1 . 2]" 1
490 1 35 TYR QE 1 130 LEU QD . . 3.400 2.005 1.880 2.716 . 0 0 "[ . 1 . 2]" 1
491 1 35 TYR QE 1 130 LEU HG . . 5.310 4.171 3.796 4.499 . 0 0 "[ . 1 . 2]" 1
492 1 36 LEU H 1 36 LEU HB2 . . 3.570 2.367 2.233 2.466 . 0 0 "[ . 1 . 2]" 1
493 1 36 LEU H 1 36 LEU HB3 . . 3.700 3.570 3.524 3.590 . 0 0 "[ . 1 . 2]" 1
494 1 36 LEU H 1 36 LEU MD1 . . 3.880 3.646 3.433 3.752 . 0 0 "[ . 1 . 2]" 1
495 1 36 LEU H 1 36 LEU MD2 . . 3.950 3.549 3.403 3.853 . 0 0 "[ . 1 . 2]" 1
496 1 36 LEU H 1 36 LEU HG . . 3.060 2.498 2.306 2.800 . 0 0 "[ . 1 . 2]" 1
497 1 36 LEU H 1 37 LEU H . . 3.560 2.565 2.478 2.672 . 0 0 "[ . 1 . 2]" 1
498 1 36 LEU H 1 37 LEU HG . . 5.050 4.879 4.292 5.053 0.003 5 0 "[ . 1 . 2]" 1
499 1 36 LEU H 1 38 ASP H . . 4.430 4.232 3.974 4.364 . 0 0 "[ . 1 . 2]" 1
500 1 36 LEU H 1 39 GLN H . . 5.150 4.888 4.705 5.136 . 0 0 "[ . 1 . 2]" 1
501 1 36 LEU H 1 43 VAL QG . . 4.100 3.798 3.458 4.099 . 0 0 "[ . 1 . 2]" 1
502 1 36 LEU HA 1 36 LEU MD1 . . 4.430 3.857 3.822 3.915 . 0 0 "[ . 1 . 2]" 1
503 1 36 LEU HA 1 36 LEU MD2 . . 3.350 2.032 1.960 2.228 . 0 0 "[ . 1 . 2]" 1
504 1 36 LEU HA 1 39 GLN H . . 3.870 3.633 3.413 3.857 . 0 0 "[ . 1 . 2]" 1
505 1 36 LEU HA 1 41 TYR QD . . 4.150 3.246 2.651 4.144 . 0 0 "[ . 1 . 2]" 1
506 1 36 LEU HB2 1 36 LEU MD1 . . 3.460 2.314 2.142 2.416 . 0 0 "[ . 1 . 2]" 1
507 1 36 LEU HB2 1 37 LEU H . . 3.540 2.794 2.590 2.992 . 0 0 "[ . 1 . 2]" 1
508 1 36 LEU HB2 1 43 VAL QG . . 3.390 2.227 1.914 2.734 . 0 0 "[ . 1 . 2]" 1
509 1 36 LEU HB3 1 36 LEU MD2 . . 3.660 2.335 2.220 2.382 . 0 0 "[ . 1 . 2]" 1
510 1 36 LEU HB3 1 37 LEU H . . 3.840 3.676 3.465 3.842 0.002 11 0 "[ . 1 . 2]" 1
511 1 36 LEU HB3 1 41 TYR QD . . 4.590 3.962 3.413 4.593 0.003 20 0 "[ . 1 . 2]" 1
512 1 36 LEU MD1 1 43 VAL QG . . 4.240 2.546 1.940 2.932 . 0 0 "[ . 1 . 2]" 1
513 1 36 LEU MD1 1 126 PRO HB2 . . 5.110 4.355 3.736 4.751 . 0 0 "[ . 1 . 2]" 1
514 1 36 LEU MD1 1 126 PRO QG . . 4.930 3.430 2.910 4.013 . 0 0 "[ . 1 . 2]" 1
515 1 36 LEU MD2 1 37 LEU H . . 5.180 4.720 4.654 4.825 . 0 0 "[ . 1 . 2]" 1
516 1 36 LEU MD2 1 39 GLN H . . 5.240 5.064 4.836 5.240 . 0 0 "[ . 1 . 2]" 1
517 1 36 LEU MD2 1 41 TYR H . . 5.320 5.109 4.718 5.319 . 0 0 "[ . 1 . 2]" 1
518 1 36 LEU MD2 1 41 TYR QD . . 4.080 3.373 2.983 3.934 . 0 0 "[ . 1 . 2]" 1
519 1 36 LEU MD2 1 126 PRO HA . . 5.500 5.261 4.712 5.507 0.007 10 0 "[ . 1 . 2]" 1
520 1 36 LEU MD2 1 126 PRO HB2 . . 3.570 2.945 2.465 3.227 . 0 0 "[ . 1 . 2]" 1
521 1 36 LEU MD2 1 130 LEU QD . . 4.010 3.759 2.569 4.016 0.006 6 0 "[ . 1 . 2]" 1
522 1 36 LEU HG 1 37 LEU H . . 4.780 4.531 4.399 4.738 . 0 0 "[ . 1 . 2]" 1
523 1 37 LEU H 1 37 LEU HB2 . . 3.600 2.226 2.138 2.510 . 0 0 "[ . 1 . 2]" 1
524 1 37 LEU H 1 37 LEU QB . . 3.140 2.202 2.119 2.464 . 0 0 "[ . 1 . 2]" 1
525 1 37 LEU H 1 37 LEU HB3 . . 3.600 3.509 3.455 3.586 . 0 0 "[ . 1 . 2]" 1
526 1 37 LEU H 1 37 LEU QD . . 3.900 3.360 3.055 3.480 . 0 0 "[ . 1 . 2]" 1
527 1 37 LEU H 1 37 LEU HG . . 3.350 2.836 2.197 3.109 . 0 0 "[ . 1 . 2]" 1
528 1 37 LEU H 1 38 ASP H . . 2.780 2.625 2.513 2.732 . 0 0 "[ . 1 . 2]" 1
529 1 37 LEU H 1 38 ASP QB . . 4.880 4.365 4.261 4.440 . 0 0 "[ . 1 . 2]" 1
530 1 37 LEU H 1 41 TYR H . . 5.010 4.857 4.520 5.014 0.004 1 0 "[ . 1 . 2]" 1
531 1 37 LEU H 1 43 VAL QG . . 3.650 2.997 2.744 3.220 . 0 0 "[ . 1 . 2]" 1
532 1 37 LEU H 1 56 LEU QD . . 5.440 4.952 4.587 5.169 . 0 0 "[ . 1 . 2]" 1
533 1 37 LEU HA 1 37 LEU QD . . 3.360 2.034 1.948 2.292 . 0 0 "[ . 1 . 2]" 1
534 1 37 LEU HA 1 41 TYR H . . 4.510 2.971 2.597 3.295 . 0 0 "[ . 1 . 2]" 1
535 1 37 LEU HA 1 43 VAL H . . 4.950 4.765 4.011 4.956 0.006 17 0 "[ . 1 . 2]" 1
536 1 37 LEU QB 1 38 ASP H . . 3.300 2.580 2.416 2.846 . 0 0 "[ . 1 . 2]" 1
537 1 37 LEU QB 1 56 LEU QD . . 3.610 3.397 3.102 3.615 0.005 12 0 "[ . 1 . 2]" 1
538 1 37 LEU HB2 1 38 ASP H . . 3.910 2.700 2.458 2.967 . 0 0 "[ . 1 . 2]" 1
539 1 37 LEU HB3 1 38 ASP H . . 3.910 3.301 3.108 3.659 . 0 0 "[ . 1 . 2]" 1
540 1 37 LEU QD 1 38 ASP H . . 4.680 4.074 3.892 4.250 . 0 0 "[ . 1 . 2]" 1
541 1 37 LEU QD 1 41 TYR H . . 4.450 3.999 3.445 4.442 . 0 0 "[ . 1 . 2]" 1
542 1 37 LEU QD 1 42 HIS HA . . 4.010 3.738 3.155 4.012 0.002 19 0 "[ . 1 . 2]" 1
543 1 37 LEU QD 1 43 VAL H . . 2.990 2.788 2.255 2.996 0.006 19 0 "[ . 1 . 2]" 1
544 1 37 LEU QD 1 43 VAL HA . . 4.710 4.393 4.004 4.725 0.015 17 0 "[ . 1 . 2]" 1
545 1 37 LEU QD 1 43 VAL HB . . 3.940 2.548 1.974 3.942 0.002 17 0 "[ . 1 . 2]" 1
546 1 37 LEU QD 1 43 VAL QG . . 3.650 1.956 1.749 2.374 . 0 0 "[ . 1 . 2]" 1
547 1 37 LEU QD 1 56 LEU QB . . 3.730 2.076 1.828 2.364 . 0 0 "[ . 1 . 2]" 1
548 1 37 LEU QD 1 56 LEU QD . . 3.670 2.028 1.745 2.400 . 0 0 "[ . 1 . 2]" 1
549 1 37 LEU QD 1 58 GLN H . . 4.360 3.968 3.620 4.348 . 0 0 "[ . 1 . 2]" 1
550 1 37 LEU QD 1 58 GLN QE . . 3.080 2.292 1.900 2.493 . 0 0 "[ . 1 . 2]" 1
551 1 37 LEU QD 1 58 GLN QG . . 3.570 2.131 1.799 2.552 . 0 0 "[ . 1 . 2]" 1
552 1 37 LEU MD1 1 58 GLN HE21 . . 4.050 2.835 2.250 3.524 . 0 0 "[ . 1 . 2]" 1
553 1 37 LEU MD1 1 58 GLN HE22 . . 4.050 3.640 2.186 4.035 . 0 0 "[ . 1 . 2]" 1
554 1 37 LEU MD2 1 58 GLN HE21 . . 4.050 2.856 2.552 3.347 . 0 0 "[ . 1 . 2]" 1
555 1 37 LEU MD2 1 58 GLN HE22 . . 4.050 2.788 2.236 3.228 . 0 0 "[ . 1 . 2]" 1
556 1 38 ASP H 1 38 ASP HB2 . . 3.460 2.369 2.108 2.710 . 0 0 "[ . 1 . 2]" 1
557 1 38 ASP H 1 38 ASP QB . . 2.850 2.199 2.089 2.275 . 0 0 "[ . 1 . 2]" 1
558 1 38 ASP H 1 38 ASP HB3 . . 3.460 2.839 2.384 3.457 . 0 0 "[ . 1 . 2]" 1
559 1 38 ASP H 1 39 GLN H . . 3.250 2.700 2.497 2.924 . 0 0 "[ . 1 . 2]" 1
560 1 38 ASP H 1 56 LEU QD . . 5.440 5.373 4.965 5.443 0.003 3 0 "[ . 1 . 2]" 1
561 1 38 ASP HA 1 40 GLY H . . 4.020 3.883 3.783 4.022 0.002 7 0 "[ . 1 . 2]" 1
562 1 38 ASP QB 1 39 GLN H . . 3.860 2.505 2.251 2.870 . 0 0 "[ . 1 . 2]" 1
563 1 38 ASP QB 1 40 GLY H . . 4.680 4.433 4.290 4.575 . 0 0 "[ . 1 . 2]" 1
564 1 38 ASP HB2 1 40 GLY H . . 5.490 5.305 4.770 5.490 . 0 0 "[ . 1 . 2]" 1
565 1 38 ASP HB3 1 40 GLY H . . 5.490 4.770 4.581 5.054 . 0 0 "[ . 1 . 2]" 1
566 1 39 GLN H 1 39 GLN HB2 . . 3.600 2.335 2.172 2.573 . 0 0 "[ . 1 . 2]" 1
567 1 39 GLN H 1 39 GLN QB . . 3.050 2.303 2.152 2.519 . 0 0 "[ . 1 . 2]" 1
568 1 39 GLN H 1 39 GLN HB3 . . 3.600 3.544 3.483 3.590 . 0 0 "[ . 1 . 2]" 1
569 1 39 GLN H 1 39 GLN HE21 . . 4.410 4.283 3.884 4.428 0.018 7 0 "[ . 1 . 2]" 1
570 1 39 GLN H 1 39 GLN HG2 . . 4.050 2.568 2.150 2.923 . 0 0 "[ . 1 . 2]" 1
571 1 39 GLN H 1 39 GLN QG . . 3.350 2.528 2.110 2.856 . 0 0 "[ . 1 . 2]" 1
572 1 39 GLN H 1 39 GLN HG3 . . 4.050 3.820 3.062 4.014 . 0 0 "[ . 1 . 2]" 1
573 1 39 GLN H 1 41 TYR QD . . 4.150 4.048 3.882 4.138 . 0 0 "[ . 1 . 2]" 1
574 1 39 GLN HA 1 39 GLN HE21 . . 4.330 3.101 1.961 3.894 . 0 0 "[ . 1 . 2]" 1
575 1 39 GLN HA 1 39 GLN HE22 . . 4.380 3.483 2.971 3.955 . 0 0 "[ . 1 . 2]" 1
576 1 39 GLN HA 1 137 LYS H . . 5.170 5.008 4.239 5.183 0.013 10 0 "[ . 1 . 2]" 1
577 1 39 GLN QB 1 41 TYR QE . . 3.930 2.000 1.911 2.123 . 0 0 "[ . 1 . 2]" 1
578 1 39 GLN HB2 1 41 TYR QE . . 4.530 3.031 2.424 3.464 . 0 0 "[ . 1 . 2]" 1
579 1 39 GLN HB3 1 41 TYR QE . . 4.530 2.041 1.998 2.173 . 0 0 "[ . 1 . 2]" 1
580 1 39 GLN HE21 1 130 LEU QD . . 4.460 3.295 2.853 4.121 . 0 0 "[ . 1 . 2]" 1
581 1 39 GLN HE21 1 136 ALA HA . . 4.810 4.444 3.180 4.823 0.013 9 0 "[ . 1 . 2]" 1
582 1 39 GLN HE21 1 136 ALA MB . . 4.490 3.446 2.166 4.321 . 0 0 "[ . 1 . 2]" 1
583 1 39 GLN HE21 1 137 LYS H . . 4.090 3.436 2.507 4.060 . 0 0 "[ . 1 . 2]" 1
584 1 39 GLN HE21 1 137 LYS QB . . 4.300 3.669 1.976 4.300 . 0 0 "[ . 1 . 2]" 1
585 1 39 GLN HE22 1 39 GLN QG . . 3.600 3.279 3.217 3.444 . 0 0 "[ . 1 . 2]" 1
586 1 39 GLN HE22 1 130 LEU QD . . 4.600 3.386 2.769 4.601 0.001 20 0 "[ . 1 . 2]" 1
587 1 39 GLN HE22 1 136 ALA HA . . 4.000 3.332 2.564 4.005 0.005 7 0 "[ . 1 . 2]" 1
588 1 39 GLN HE22 1 136 ALA MB . . 3.940 2.951 1.922 3.854 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLN HE22 1 137 LYS H . . 3.750 2.023 1.895 2.479 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLN HE22 1 137 LYS QB . . 3.870 2.670 1.941 3.432 . 0 0 "[ . 1 . 2]" 1
591 1 39 GLN HE22 1 137 LYS QD . . 5.340 3.695 2.323 5.282 . 0 0 "[ . 1 . 2]" 1
592 1 39 GLN QG 1 41 TYR QE . . 4.250 3.293 2.704 3.754 . 0 0 "[ . 1 . 2]" 1
593 1 40 GLY H 1 41 TYR HB2 . . 4.590 4.176 4.100 4.254 . 0 0 "[ . 1 . 2]" 1
594 1 40 GLY H 1 41 TYR QD . . 4.140 3.242 2.776 3.722 . 0 0 "[ . 1 . 2]" 1
595 1 40 GLY H 1 41 TYR QE . . 5.240 4.909 4.375 5.239 . 0 0 "[ . 1 . 2]" 1
596 1 40 GLY QA 1 41 TYR QD . . 4.410 3.958 3.453 4.409 . 0 0 "[ . 1 . 2]" 1
597 1 41 TYR H 1 41 TYR HB2 . . 3.350 2.543 2.390 2.758 . 0 0 "[ . 1 . 2]" 1
598 1 41 TYR H 1 41 TYR HB3 . . 3.960 3.715 3.624 3.843 . 0 0 "[ . 1 . 2]" 1
599 1 41 TYR H 1 41 TYR QD . . 3.260 2.949 2.686 3.154 . 0 0 "[ . 1 . 2]" 1
600 1 41 TYR H 1 41 TYR QE . . 5.140 5.067 4.818 5.147 0.007 13 0 "[ . 1 . 2]" 1
601 1 41 TYR H 1 42 HIS H . . 4.660 4.461 4.397 4.511 . 0 0 "[ . 1 . 2]" 1
602 1 41 TYR H 1 43 VAL QG . . 4.440 4.148 3.773 4.443 0.003 8 0 "[ . 1 . 2]" 1
603 1 41 TYR HA 1 41 TYR QD . . 3.730 2.975 2.693 3.121 . 0 0 "[ . 1 . 2]" 1
604 1 41 TYR HA 1 42 HIS H . . 3.090 2.462 2.308 2.636 . 0 0 "[ . 1 . 2]" 1
605 1 41 TYR HB2 1 42 HIS H . . 3.900 3.627 3.306 3.902 0.002 3 0 "[ . 1 . 2]" 1
606 1 41 TYR HB2 1 43 VAL QG . . 4.320 3.477 3.315 3.653 . 0 0 "[ . 1 . 2]" 1
607 1 41 TYR HB3 1 42 HIS H . . 3.780 2.308 1.947 2.670 . 0 0 "[ . 1 . 2]" 1
608 1 41 TYR HB3 1 43 VAL QG . . 4.350 3.807 3.650 3.983 . 0 0 "[ . 1 . 2]" 1
609 1 41 TYR QD 1 130 LEU QD . . 4.760 4.380 3.532 4.762 0.002 14 0 "[ . 1 . 2]" 1
610 1 41 TYR QE 1 130 LEU QD . . 3.460 3.089 2.340 3.462 0.002 3 0 "[ . 1 . 2]" 1
611 1 42 HIS H 1 42 HIS HB2 . . 3.490 2.440 2.174 2.665 . 0 0 "[ . 1 . 2]" 1
612 1 42 HIS H 1 42 HIS QB . . 3.050 2.305 2.153 2.439 . 0 0 "[ . 1 . 2]" 1
613 1 42 HIS H 1 42 HIS HB3 . . 3.490 2.967 2.679 3.482 . 0 0 "[ . 1 . 2]" 1
614 1 42 HIS H 1 43 VAL H . . 4.490 4.325 3.982 4.451 . 0 0 "[ . 1 . 2]" 1
615 1 42 HIS H 1 43 VAL QG . . 4.520 4.235 4.073 4.482 . 0 0 "[ . 1 . 2]" 1
616 1 42 HIS HA 1 43 VAL H . . 2.910 2.153 2.140 2.261 . 0 0 "[ . 1 . 2]" 1
617 1 42 HIS HA 1 43 VAL QG . . 4.240 3.640 3.353 3.881 . 0 0 "[ . 1 . 2]" 1
618 1 42 HIS QB 1 43 VAL H . . 3.950 3.773 3.467 3.974 0.024 14 0 "[ . 1 . 2]" 1
619 1 42 HIS HD2 1 44 ILE MD . . 4.370 3.310 2.402 4.327 . 0 0 "[ . 1 . 2]" 1
620 1 43 VAL H 1 43 VAL HB . . 3.430 2.782 2.531 3.630 0.200 14 0 "[ . 1 . 2]" 1
621 1 43 VAL H 1 43 VAL QG . . 3.170 2.450 1.874 2.654 . 0 0 "[ . 1 . 2]" 1
622 1 43 VAL H 1 44 ILE MD . . 5.500 5.494 5.460 5.515 0.015 14 0 "[ . 1 . 2]" 1
623 1 43 VAL H 1 44 ILE QG . . 4.430 4.172 4.108 4.437 0.007 14 0 "[ . 1 . 2]" 1
624 1 43 VAL HA 1 44 ILE H . . 3.070 2.189 2.145 2.251 . 0 0 "[ . 1 . 2]" 1
625 1 43 VAL HB 1 44 ILE H . . 4.390 3.858 2.856 4.202 . 0 0 "[ . 1 . 2]" 1
626 1 43 VAL QG 1 44 ILE H . . 3.270 2.365 1.975 3.304 0.034 14 0 "[ . 1 . 2]" 1
627 1 44 ILE H 1 44 ILE HB . . 3.450 2.776 2.609 2.822 . 0 0 "[ . 1 . 2]" 1
628 1 44 ILE H 1 44 ILE MD . . 4.070 4.000 3.586 4.074 0.004 16 0 "[ . 1 . 2]" 1
629 1 44 ILE H 1 44 ILE QG . . 3.560 2.725 2.587 2.977 . 0 0 "[ . 1 . 2]" 1
630 1 44 ILE H 1 44 ILE MG . . 4.040 3.908 3.839 3.929 . 0 0 "[ . 1 . 2]" 1
631 1 44 ILE HA 1 44 ILE MD . . 4.220 3.873 3.852 3.890 . 0 0 "[ . 1 . 2]" 1
632 1 44 ILE HB 1 44 ILE MD . . 3.710 2.346 2.202 2.441 . 0 0 "[ . 1 . 2]" 1
633 1 44 ILE MD 1 44 ILE MG . . 3.200 2.042 1.922 2.249 . 0 0 "[ . 1 . 2]" 1
634 1 44 ILE MD 1 69 GLU QB . . 3.860 3.287 2.300 3.840 . 0 0 "[ . 1 . 2]" 1
635 1 44 ILE MD 1 69 GLU QG . . 3.460 3.124 2.283 3.465 0.005 17 0 "[ . 1 . 2]" 1
636 1 44 ILE MD 1 71 VAL H . . 4.860 4.613 4.191 4.866 0.006 8 0 "[ . 1 . 2]" 1
637 1 44 ILE MD 1 72 ASP H . . 4.560 4.394 4.053 4.563 0.003 9 0 "[ . 1 . 2]" 1
638 1 44 ILE MD 1 73 MET H . . 5.500 5.260 4.693 5.463 . 0 0 "[ . 1 . 2]" 1
639 1 44 ILE MG 1 59 GLN H . . 5.160 5.128 4.924 5.165 0.005 19 0 "[ . 1 . 2]" 1
640 1 44 ILE MG 1 61 TYR HB2 . . 4.500 4.265 3.918 4.462 . 0 0 "[ . 1 . 2]" 1
641 1 44 ILE MG 1 61 TYR QD . . 3.430 3.404 3.259 3.442 0.012 7 0 "[ . 1 . 2]" 1
642 1 44 ILE MG 1 61 TYR QE . . 3.930 3.935 3.930 3.940 0.010 5 0 "[ . 1 . 2]" 1
643 1 45 PRO HA 1 46 VAL H . . 2.980 2.172 2.151 2.237 . 0 0 "[ . 1 . 2]" 1
644 1 45 PRO HA 1 46 VAL QG . . 4.190 3.610 3.468 3.714 . 0 0 "[ . 1 . 2]" 1
645 1 45 PRO QB 1 46 VAL H . . 3.740 3.240 2.947 3.566 . 0 0 "[ . 1 . 2]" 1
646 1 46 VAL H 1 46 VAL HB . . 3.260 2.767 2.596 3.217 . 0 0 "[ . 1 . 2]" 1
647 1 46 VAL H 1 46 VAL MG1 . . 4.140 3.803 2.079 3.932 . 0 0 "[ . 1 . 2]" 1
648 1 46 VAL H 1 46 VAL QG . . 3.170 2.734 2.072 2.878 . 0 0 "[ . 1 . 2]" 1
649 1 46 VAL H 1 46 VAL MG2 . . 4.140 2.890 2.466 3.928 . 0 0 "[ . 1 . 2]" 1
650 1 46 VAL H 1 47 SER H . . 4.480 4.245 4.152 4.380 . 0 0 "[ . 1 . 2]" 1
651 1 46 VAL H 1 47 SER QB . . 5.120 4.507 4.311 5.136 0.016 7 0 "[ . 1 . 2]" 1
652 1 46 VAL HA 1 46 VAL MG1 . . 3.590 2.434 2.391 3.197 . 0 0 "[ . 1 . 2]" 1
653 1 46 VAL HA 1 46 VAL MG2 . . 3.590 2.347 2.322 2.417 . 0 0 "[ . 1 . 2]" 1
654 1 46 VAL HA 1 47 SER H . . 2.800 2.142 2.141 2.143 . 0 0 "[ . 1 . 2]" 1
655 1 46 VAL HA 1 61 TYR H . . 3.630 2.569 2.380 2.719 . 0 0 "[ . 1 . 2]" 1
656 1 46 VAL HB 1 47 SER H . . 4.450 4.220 4.209 4.285 . 0 0 "[ . 1 . 2]" 1
657 1 46 VAL QG 1 47 SER H . . 3.060 2.722 2.711 2.732 . 0 0 "[ . 1 . 2]" 1
658 1 46 VAL QG 1 61 TYR H . . 3.960 3.186 3.076 3.266 . 0 0 "[ . 1 . 2]" 1
659 1 46 VAL QG 1 62 ALA H . . 4.280 3.945 3.864 4.093 . 0 0 "[ . 1 . 2]" 1
660 1 46 VAL QG 1 63 THR H . . 3.670 2.908 2.686 3.180 . 0 0 "[ . 1 . 2]" 1
661 1 46 VAL QG 1 63 THR HA . . 3.250 2.378 2.087 2.768 . 0 0 "[ . 1 . 2]" 1
662 1 46 VAL QG 1 64 LEU H . . 3.430 2.606 2.412 2.922 . 0 0 "[ . 1 . 2]" 1
663 1 46 VAL QG 1 64 LEU HA . . 4.150 2.495 2.245 2.870 . 0 0 "[ . 1 . 2]" 1
664 1 46 VAL QG 1 65 ALA H . . 4.480 4.259 4.126 4.455 . 0 0 "[ . 1 . 2]" 1
665 1 47 SER H 1 47 SER QB . . 3.540 2.699 2.655 3.004 . 0 0 "[ . 1 . 2]" 1
666 1 47 SER H 1 49 LYS H . . 4.970 4.633 4.564 4.745 . 0 0 "[ . 1 . 2]" 1
667 1 47 SER H 1 50 VAL H . . 4.120 3.956 3.876 4.017 . 0 0 "[ . 1 . 2]" 1
668 1 47 SER H 1 50 VAL MG1 . . 4.490 2.723 1.866 4.060 . 0 0 "[ . 1 . 2]" 1
669 1 47 SER H 1 50 VAL QG . . 3.070 1.911 1.864 1.942 . 0 0 "[ . 1 . 2]" 1
670 1 47 SER H 1 50 VAL MG2 . . 4.490 3.369 1.905 4.373 . 0 0 "[ . 1 . 2]" 1
671 1 47 SER H 1 51 ALA H . . 4.770 4.426 4.264 4.785 0.015 8 0 "[ . 1 . 2]" 1
672 1 47 SER H 1 51 ALA MB . . 4.890 4.521 4.379 4.719 . 0 0 "[ . 1 . 2]" 1
673 1 47 SER H 1 61 TYR H . . 3.660 2.599 2.409 2.729 . 0 0 "[ . 1 . 2]" 1
674 1 47 SER H 1 62 ALA HA . . 4.070 4.042 4.012 4.086 0.016 7 0 "[ . 1 . 2]" 1
675 1 47 SER H 1 62 ALA MB . . 5.330 5.335 5.315 5.345 0.015 12 0 "[ . 1 . 2]" 1
676 1 47 SER QB 1 50 VAL H . . 3.510 2.424 1.934 3.112 . 0 0 "[ . 1 . 2]" 1
677 1 47 SER QB 1 50 VAL QG . . 3.680 1.872 1.715 1.987 . 0 0 "[ . 1 . 2]" 1
678 1 47 SER QB 1 51 ALA H . . 5.160 4.353 3.927 5.121 . 0 0 "[ . 1 . 2]" 1
679 1 47 SER QB 1 61 TYR H . . 4.620 4.541 4.367 4.651 0.031 7 0 "[ . 1 . 2]" 1
680 1 48 PRO HA 1 51 ALA MB . . 3.700 3.056 2.957 3.179 . 0 0 "[ . 1 . 2]" 1
681 1 48 PRO HA 1 62 ALA H . . 5.100 5.018 4.897 5.090 . 0 0 "[ . 1 . 2]" 1
682 1 48 PRO HA 1 62 ALA HA . . 3.610 2.247 2.138 2.312 . 0 0 "[ . 1 . 2]" 1
683 1 48 PRO HA 1 62 ALA MB . . 3.440 2.904 2.703 3.020 . 0 0 "[ . 1 . 2]" 1
684 1 48 PRO HA 1 63 THR H . . 5.500 5.395 5.238 5.507 0.007 1 0 "[ . 1 . 2]" 1
685 1 48 PRO QB 1 62 ALA MB . . 4.450 3.993 3.839 4.111 . 0 0 "[ . 1 . 2]" 1
686 1 49 LYS H 1 50 VAL H . . 4.340 2.049 2.020 2.079 . 0 0 "[ . 1 . 2]" 1
687 1 49 LYS HA 1 51 ALA H . . 3.730 3.643 3.505 3.732 0.002 14 0 "[ . 1 . 2]" 1
688 1 49 LYS QB 1 50 VAL H . . 3.810 2.842 2.713 3.506 . 0 0 "[ . 1 . 2]" 1
689 1 49 LYS QB 1 50 VAL HA . . 4.610 4.041 3.934 4.488 . 0 0 "[ . 1 . 2]" 1
690 1 50 VAL H 1 50 VAL HB . . 3.920 2.976 2.464 3.671 . 0 0 "[ . 1 . 2]" 1
691 1 50 VAL H 1 50 VAL MG1 . . 3.850 2.177 2.086 2.350 . 0 0 "[ . 1 . 2]" 1
692 1 50 VAL H 1 50 VAL QG . . 2.990 2.060 1.874 2.327 . 0 0 "[ . 1 . 2]" 1
693 1 50 VAL H 1 50 VAL MG2 . . 3.850 3.115 2.037 3.783 . 0 0 "[ . 1 . 2]" 1
694 1 50 VAL H 1 51 ALA H . . 2.790 2.510 2.470 2.590 . 0 0 "[ . 1 . 2]" 1
695 1 50 VAL H 1 51 ALA HA . . 5.410 4.876 4.772 4.933 . 0 0 "[ . 1 . 2]" 1
696 1 50 VAL H 1 51 ALA MB . . 4.050 4.054 4.016 4.072 0.022 3 0 "[ . 1 . 2]" 1
697 1 50 VAL H 1 60 GLY HA3 . . 5.500 5.328 5.078 5.501 0.001 18 0 "[ . 1 . 2]" 1
698 1 50 VAL H 1 61 TYR H . . 5.190 5.048 4.907 5.152 . 0 0 "[ . 1 . 2]" 1
699 1 50 VAL H 1 62 ALA HA . . 4.910 4.875 4.615 4.932 0.022 19 0 "[ . 1 . 2]" 1
700 1 50 VAL HA 1 51 ALA H . . 3.480 3.295 3.147 3.356 . 0 0 "[ . 1 . 2]" 1
701 1 50 VAL HA 1 53 LYS H . . 4.160 4.031 3.591 4.164 0.004 10 0 "[ . 1 . 2]" 1
702 1 50 VAL HA 1 53 LYS QE . . 4.390 3.609 2.130 4.244 . 0 0 "[ . 1 . 2]" 1
703 1 50 VAL HA 1 53 LYS QG . . 3.890 2.719 1.889 3.736 . 0 0 "[ . 1 . 2]" 1
704 1 50 VAL HB 1 53 LYS QG . . 5.500 4.333 2.091 5.496 . 0 0 "[ . 1 . 2]" 1
705 1 50 VAL HB 1 55 LEU QB . . 5.340 4.188 3.417 5.133 . 0 0 "[ . 1 . 2]" 1
706 1 50 VAL QG 1 51 ALA H . . 3.270 2.783 2.563 3.068 . 0 0 "[ . 1 . 2]" 1
707 1 50 VAL QG 1 53 LYS QB . . 4.110 3.024 1.965 4.178 0.068 7 0 "[ . 1 . 2]" 1
708 1 50 VAL QG 1 53 LYS QE . . 4.170 3.626 2.533 4.172 0.002 13 0 "[ . 1 . 2]" 1
709 1 50 VAL QG 1 53 LYS QG . . 5.340 3.310 1.850 4.710 . 0 0 "[ . 1 . 2]" 1
710 1 50 VAL QG 1 55 LEU QB . . 4.440 2.782 1.949 3.951 . 0 0 "[ . 1 . 2]" 1
711 1 50 VAL QG 1 60 GLY HA3 . . 4.500 1.980 1.790 2.358 . 0 0 "[ . 1 . 2]" 1
712 1 50 VAL QG 1 61 TYR H . . 4.710 1.911 1.893 1.978 . 0 0 "[ . 1 . 2]" 1
713 1 50 VAL QG 1 62 ALA H . . 4.660 4.654 4.590 4.693 0.033 8 0 "[ . 1 . 2]" 1
714 1 50 VAL MG1 1 51 ALA H . . 4.450 3.299 2.622 4.164 . 0 0 "[ . 1 . 2]" 1
715 1 50 VAL MG2 1 51 ALA H . . 4.450 3.658 2.590 4.208 . 0 0 "[ . 1 . 2]" 1
716 1 51 ALA H 1 51 ALA MB . . 2.520 2.109 2.065 2.184 . 0 0 "[ . 1 . 2]" 1
717 1 51 ALA H 1 52 GLY H . . 4.380 4.256 4.031 4.347 . 0 0 "[ . 1 . 2]" 1
718 1 51 ALA H 1 53 LYS H . . 4.820 4.750 4.477 4.836 0.016 15 0 "[ . 1 . 2]" 1
719 1 51 ALA H 1 61 TYR H . . 4.770 4.511 4.298 4.784 0.014 11 0 "[ . 1 . 2]" 1
720 1 51 ALA H 1 61 TYR HA . . 5.030 5.039 5.029 5.058 0.028 9 0 "[ . 1 . 2]" 1
721 1 51 ALA H 1 62 ALA H . . 4.910 4.771 4.689 4.851 . 0 0 "[ . 1 . 2]" 1
722 1 51 ALA H 1 62 ALA HA . . 3.720 3.649 3.561 3.736 0.016 7 0 "[ . 1 . 2]" 1
723 1 51 ALA H 1 62 ALA MB . . 4.180 4.151 4.079 4.185 0.005 11 0 "[ . 1 . 2]" 1
724 1 51 ALA HA 1 52 GLY H . . 2.870 2.213 2.174 2.324 . 0 0 "[ . 1 . 2]" 1
725 1 51 ALA HA 1 53 LYS H . . 4.350 3.757 3.636 3.870 . 0 0 "[ . 1 . 2]" 1
726 1 51 ALA HA 1 61 TYR H . . 4.810 3.355 3.162 3.686 . 0 0 "[ . 1 . 2]" 1
727 1 51 ALA HA 1 61 TYR HA . . 3.770 2.612 2.428 2.739 . 0 0 "[ . 1 . 2]" 1
728 1 51 ALA HA 1 62 ALA H . . 3.700 3.061 2.797 3.243 . 0 0 "[ . 1 . 2]" 1
729 1 51 ALA HA 1 62 ALA HA . . 4.300 3.898 3.666 4.115 . 0 0 "[ . 1 . 2]" 1
730 1 51 ALA MB 1 52 GLY H . . 3.630 3.514 3.449 3.645 0.015 8 0 "[ . 1 . 2]" 1
731 1 51 ALA MB 1 61 TYR HA . . 4.120 3.208 3.054 3.469 . 0 0 "[ . 1 . 2]" 1
732 1 51 ALA MB 1 62 ALA H . . 3.130 2.126 2.044 2.407 . 0 0 "[ . 1 . 2]" 1
733 1 51 ALA MB 1 62 ALA HA . . 3.520 2.086 2.001 2.210 . 0 0 "[ . 1 . 2]" 1
734 1 51 ALA MB 1 62 ALA MB . . 3.450 1.898 1.855 1.943 . 0 0 "[ . 1 . 2]" 1
735 1 51 ALA MB 1 63 THR H . . 4.370 4.161 4.108 4.321 . 0 0 "[ . 1 . 2]" 1
736 1 52 GLY H 1 52 GLY HA2 . . 2.910 2.426 2.365 2.523 . 0 0 "[ . 1 . 2]" 1
737 1 52 GLY H 1 53 LYS H . . 3.130 2.080 1.897 2.236 . 0 0 "[ . 1 . 2]" 1
738 1 52 GLY H 1 53 LYS QG . . 4.570 4.153 3.804 4.506 . 0 0 "[ . 1 . 2]" 1
739 1 52 GLY H 1 59 GLN HE21 . . 4.400 4.090 3.921 4.320 . 0 0 "[ . 1 . 2]" 1
740 1 52 GLY H 1 59 GLN QG . . 4.560 4.465 4.188 4.563 0.003 6 0 "[ . 1 . 2]" 1
741 1 52 GLY H 1 60 GLY H . . 4.270 3.894 3.641 4.140 . 0 0 "[ . 1 . 2]" 1
742 1 52 GLY H 1 61 TYR HA . . 4.040 3.736 3.231 4.021 . 0 0 "[ . 1 . 2]" 1
743 1 52 GLY HA2 1 59 GLN HE21 . . 4.150 4.099 3.885 4.157 0.007 16 0 "[ . 1 . 2]" 1
744 1 52 GLY HA2 1 59 GLN HE22 . . 4.810 4.507 4.288 4.646 . 0 0 "[ . 1 . 2]" 1
745 1 53 LYS H 1 53 LYS QB . . 3.100 2.764 2.577 3.101 0.001 19 0 "[ . 1 . 2]" 1
746 1 53 LYS H 1 53 LYS QE . . 5.310 5.054 4.540 5.309 . 0 0 "[ . 1 . 2]" 1
747 1 53 LYS H 1 53 LYS QG . . 3.080 2.797 2.352 3.084 0.004 12 0 "[ . 1 . 2]" 1
748 1 53 LYS H 1 59 GLN HE22 . . 5.120 4.929 4.552 5.121 0.001 11 0 "[ . 1 . 2]" 1
749 1 53 LYS H 1 59 GLN QG . . 4.930 4.863 4.586 4.933 0.003 9 0 "[ . 1 . 2]" 1
750 1 53 LYS H 1 60 GLY H . . 3.580 3.401 3.161 3.582 0.002 7 0 "[ . 1 . 2]" 1
751 1 53 LYS H 1 60 GLY HA3 . . 4.580 3.055 2.723 3.501 . 0 0 "[ . 1 . 2]" 1
752 1 53 LYS HA 1 53 LYS QG . . 3.470 2.797 2.443 3.429 . 0 0 "[ . 1 . 2]" 1
753 1 53 LYS HA 1 54 THR H . . 2.750 2.485 2.312 2.564 . 0 0 "[ . 1 . 2]" 1
754 1 53 LYS QB 1 54 THR H . . 2.890 2.297 2.074 2.663 . 0 0 "[ . 1 . 2]" 1
755 1 53 LYS QE 1 53 LYS QG . . 3.340 2.410 2.044 2.844 . 0 0 "[ . 1 . 2]" 1
756 1 53 LYS QE 1 54 THR H . . 4.540 3.964 3.380 4.545 0.005 8 0 "[ . 1 . 2]" 1
757 1 53 LYS QG 1 54 THR H . . 4.240 3.743 2.570 4.145 . 0 0 "[ . 1 . 2]" 1
758 1 54 THR H 1 54 THR HB . . 3.520 3.405 3.181 3.520 . 0 0 "[ . 1 . 2]" 1
759 1 54 THR H 1 54 THR MG . . 3.780 3.620 3.402 3.791 0.011 12 0 "[ . 1 . 2]" 1
760 1 54 THR H 1 55 LEU H . . 4.360 4.205 4.011 4.356 . 0 0 "[ . 1 . 2]" 1
761 1 54 THR H 1 55 LEU QD . . 5.360 4.953 3.910 5.363 0.003 20 0 "[ . 1 . 2]" 1
762 1 54 THR HA 1 54 THR MG . . 3.530 2.072 1.956 2.171 . 0 0 "[ . 1 . 2]" 1
763 1 54 THR HA 1 55 LEU H . . 2.830 2.151 2.142 2.176 . 0 0 "[ . 1 . 2]" 1
764 1 54 THR HA 1 58 GLN H . . 4.680 4.391 4.125 4.635 . 0 0 "[ . 1 . 2]" 1
765 1 54 THR HA 1 60 GLY H . . 3.630 3.226 2.871 3.598 . 0 0 "[ . 1 . 2]" 1
766 1 54 THR HB 1 55 LEU H . . 3.960 3.772 3.545 3.964 0.004 11 0 "[ . 1 . 2]" 1
767 1 54 THR HB 1 58 GLN H . . 4.620 4.411 3.899 4.627 0.007 12 0 "[ . 1 . 2]" 1
768 1 54 THR MG 1 55 LEU H . . 3.590 3.465 3.028 3.594 0.004 9 0 "[ . 1 . 2]" 1
769 1 54 THR MG 1 57 GLY H . . 4.020 3.790 3.249 4.026 0.006 12 0 "[ . 1 . 2]" 1
770 1 54 THR MG 1 57 GLY HA2 . . 3.600 3.128 2.532 3.489 . 0 0 "[ . 1 . 2]" 1
771 1 54 THR MG 1 58 GLN H . . 4.630 3.700 3.136 4.341 . 0 0 "[ . 1 . 2]" 1
772 1 54 THR MG 1 59 GLN H . . 4.130 3.660 2.874 4.128 . 0 0 "[ . 1 . 2]" 1
773 1 54 THR MG 1 59 GLN HE21 . . 4.220 3.366 2.830 3.826 . 0 0 "[ . 1 . 2]" 1
774 1 54 THR MG 1 59 GLN HE22 . . 4.220 3.346 2.598 3.970 . 0 0 "[ . 1 . 2]" 1
775 1 54 THR MG 1 60 GLY H . . 4.240 3.616 3.324 3.969 . 0 0 "[ . 1 . 2]" 1
776 1 55 LEU H 1 55 LEU HB2 . . 3.670 2.413 2.147 3.705 0.035 12 0 "[ . 1 . 2]" 1
777 1 55 LEU H 1 55 LEU HB3 . . 3.670 3.193 2.600 3.481 . 0 0 "[ . 1 . 2]" 1
778 1 55 LEU H 1 55 LEU MD1 . . 4.570 4.123 3.610 4.380 . 0 0 "[ . 1 . 2]" 1
779 1 55 LEU H 1 55 LEU QD . . 3.820 3.580 2.727 3.825 0.005 14 0 "[ . 1 . 2]" 1
780 1 55 LEU H 1 55 LEU MD2 . . 4.570 4.049 2.797 4.478 . 0 0 "[ . 1 . 2]" 1
781 1 55 LEU H 1 55 LEU HG . . 4.590 3.994 2.135 4.604 0.014 7 0 "[ . 1 . 2]" 1
782 1 55 LEU H 1 57 GLY H . . 4.140 3.926 3.568 4.133 . 0 0 "[ . 1 . 2]" 1
783 1 55 LEU H 1 58 GLN H . . 3.680 3.316 2.869 3.618 . 0 0 "[ . 1 . 2]" 1
784 1 55 LEU H 1 58 GLN QG . . 5.210 4.850 4.498 5.178 . 0 0 "[ . 1 . 2]" 1
785 1 55 LEU H 1 59 GLN HA . . 4.270 4.080 3.841 4.272 0.002 5 0 "[ . 1 . 2]" 1
786 1 55 LEU H 1 60 GLY H . . 4.730 4.260 3.693 4.733 0.003 17 0 "[ . 1 . 2]" 1
787 1 55 LEU HA 1 55 LEU MD1 . . 4.060 3.183 2.114 3.862 . 0 0 "[ . 1 . 2]" 1
788 1 55 LEU HA 1 55 LEU QD . . 3.330 2.203 1.879 3.419 0.089 12 0 "[ . 1 . 2]" 1
789 1 55 LEU HA 1 55 LEU MD2 . . 4.060 2.589 1.969 3.895 . 0 0 "[ . 1 . 2]" 1
790 1 55 LEU HA 1 56 LEU H . . 3.020 2.146 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
791 1 55 LEU HA 1 56 LEU HA . . 4.580 4.367 4.362 4.385 . 0 0 "[ . 1 . 2]" 1
792 1 55 LEU HA 1 57 GLY H . . 3.940 3.622 3.358 3.758 . 0 0 "[ . 1 . 2]" 1
793 1 55 LEU QD 1 56 LEU H . . 3.830 3.003 2.609 3.845 0.015 12 0 "[ . 1 . 2]" 1
794 1 55 LEU QD 1 58 GLN H . . 5.440 4.901 4.223 5.148 . 0 0 "[ . 1 . 2]" 1
795 1 56 LEU H 1 56 LEU MD1 . . 4.650 4.071 2.465 4.509 . 0 0 "[ . 1 . 2]" 1
796 1 56 LEU H 1 56 LEU QD . . 3.440 2.959 2.456 3.441 0.001 7 0 "[ . 1 . 2]" 1
797 1 56 LEU H 1 56 LEU MD2 . . 4.650 3.411 2.537 4.652 0.002 11 0 "[ . 1 . 2]" 1
798 1 56 LEU H 1 56 LEU HG . . 4.310 3.143 2.623 3.746 . 0 0 "[ . 1 . 2]" 1
799 1 56 LEU H 1 57 GLY H . . 3.750 2.664 2.620 2.706 . 0 0 "[ . 1 . 2]" 1
800 1 56 LEU H 1 57 GLY HA2 . . 5.140 4.984 4.935 5.042 . 0 0 "[ . 1 . 2]" 1
801 1 56 LEU H 1 58 GLN H . . 4.650 4.108 4.038 4.177 . 0 0 "[ . 1 . 2]" 1
802 1 56 LEU HA 1 56 LEU QD . . 4.160 2.240 1.948 3.114 . 0 0 "[ . 1 . 2]" 1
803 1 56 LEU HA 1 57 GLY H . . 3.350 3.000 2.935 3.044 . 0 0 "[ . 1 . 2]" 1
804 1 56 LEU QB 1 58 GLN H . . 4.320 3.368 3.226 3.537 . 0 0 "[ . 1 . 2]" 1
805 1 56 LEU QB 1 58 GLN QE . . 4.080 3.274 2.444 3.718 . 0 0 "[ . 1 . 2]" 1
806 1 57 GLY H 1 58 GLN H . . 3.420 2.456 2.312 2.520 . 0 0 "[ . 1 . 2]" 1
807 1 57 GLY H 1 58 GLN QE . . 4.220 4.065 3.874 4.196 . 0 0 "[ . 1 . 2]" 1
808 1 57 GLY HA3 1 58 GLN HE21 . . 4.510 2.824 2.622 3.455 . 0 0 "[ . 1 . 2]" 1
809 1 57 GLY HA3 1 58 GLN QE . . 3.850 2.695 2.554 3.190 . 0 0 "[ . 1 . 2]" 1
810 1 57 GLY HA3 1 58 GLN HE22 . . 4.510 3.445 3.202 3.745 . 0 0 "[ . 1 . 2]" 1
811 1 58 GLN H 1 58 GLN HB2 . . 3.720 2.617 2.384 2.700 . 0 0 "[ . 1 . 2]" 1
812 1 58 GLN H 1 58 GLN QB . . 3.030 2.564 2.353 2.640 . 0 0 "[ . 1 . 2]" 1
813 1 58 GLN H 1 58 GLN HB3 . . 3.720 3.679 3.620 3.725 0.005 6 0 "[ . 1 . 2]" 1
814 1 58 GLN H 1 58 GLN HE21 . . 4.190 2.843 2.657 3.439 . 0 0 "[ . 1 . 2]" 1
815 1 58 GLN H 1 58 GLN HE22 . . 4.190 4.132 3.668 4.192 0.002 6 0 "[ . 1 . 2]" 1
816 1 58 GLN H 1 58 GLN HG2 . . 4.260 2.548 2.356 4.263 0.003 13 0 "[ . 1 . 2]" 1
817 1 58 GLN H 1 58 GLN QG . . 3.470 2.483 2.336 3.420 . 0 0 "[ . 1 . 2]" 1
818 1 58 GLN H 1 58 GLN HG3 . . 4.260 3.898 3.602 3.977 . 0 0 "[ . 1 . 2]" 1
819 1 58 GLN H 1 59 GLN H . . 4.690 4.499 4.423 4.564 . 0 0 "[ . 1 . 2]" 1
820 1 58 GLN HA 1 59 GLN H . . 2.800 2.184 2.140 2.327 . 0 0 "[ . 1 . 2]" 1
821 1 58 GLN QB 1 59 GLN H . . 4.200 3.038 2.598 3.287 . 0 0 "[ . 1 . 2]" 1
822 1 58 GLN QG 1 59 GLN H . . 5.340 4.657 3.900 4.831 . 0 0 "[ . 1 . 2]" 1
823 1 59 GLN H 1 59 GLN HB2 . . 2.860 2.492 2.357 2.605 . 0 0 "[ . 1 . 2]" 1
824 1 59 GLN H 1 59 GLN HB3 . . 3.060 2.574 2.477 2.702 . 0 0 "[ . 1 . 2]" 1
825 1 59 GLN H 1 59 GLN QG . . 4.130 4.025 3.989 4.053 . 0 0 "[ . 1 . 2]" 1
826 1 59 GLN H 1 61 TYR QE . . 5.500 5.328 4.875 5.501 0.001 11 0 "[ . 1 . 2]" 1
827 1 59 GLN HA 1 60 GLY H . . 2.880 2.192 2.143 2.232 . 0 0 "[ . 1 . 2]" 1
828 1 59 GLN HA 1 60 GLY HA3 . . 4.510 4.369 4.361 4.380 . 0 0 "[ . 1 . 2]" 1
829 1 59 GLN HB2 1 59 GLN HE21 . . 3.820 3.789 3.705 3.832 0.012 19 0 "[ . 1 . 2]" 1
830 1 59 GLN HB2 1 59 GLN HE22 . . 4.340 4.177 4.121 4.253 . 0 0 "[ . 1 . 2]" 1
831 1 59 GLN HB2 1 60 GLY H . . 4.450 4.180 4.098 4.365 . 0 0 "[ . 1 . 2]" 1
832 1 59 GLN HB3 1 61 TYR QE . . 4.570 2.955 2.612 3.181 . 0 0 "[ . 1 . 2]" 1
833 1 59 GLN HE21 1 60 GLY H . . 3.930 2.273 1.908 2.808 . 0 0 "[ . 1 . 2]" 1
834 1 59 GLN HE21 1 60 GLY HA3 . . 4.910 4.290 3.962 4.625 . 0 0 "[ . 1 . 2]" 1
835 1 59 GLN QG 1 60 GLY H . . 3.860 2.445 2.262 2.977 . 0 0 "[ . 1 . 2]" 1
836 1 59 GLN QG 1 61 TYR QE . . 3.660 2.713 2.398 3.039 . 0 0 "[ . 1 . 2]" 1
837 1 60 GLY HA2 1 61 TYR H . . 3.330 2.350 2.281 2.475 . 0 0 "[ . 1 . 2]" 1
838 1 60 GLY HA3 1 61 TYR H . . 3.450 2.805 2.654 2.893 . 0 0 "[ . 1 . 2]" 1
839 1 61 TYR H 1 61 TYR HB2 . . 3.520 2.767 2.653 2.838 . 0 0 "[ . 1 . 2]" 1
840 1 61 TYR H 1 61 TYR HB3 . . 4.160 3.769 3.699 3.810 . 0 0 "[ . 1 . 2]" 1
841 1 61 TYR H 1 61 TYR QD . . 3.830 3.781 3.641 3.843 0.013 7 0 "[ . 1 . 2]" 1
842 1 61 TYR H 1 62 ALA H . . 4.520 4.251 4.190 4.323 . 0 0 "[ . 1 . 2]" 1
843 1 61 TYR HA 1 61 TYR QD . . 3.800 2.777 2.646 2.909 . 0 0 "[ . 1 . 2]" 1
844 1 61 TYR HA 1 62 ALA H . . 2.860 2.184 2.163 2.215 . 0 0 "[ . 1 . 2]" 1
845 1 61 TYR HB2 1 62 ALA H . . 4.440 4.276 4.184 4.337 . 0 0 "[ . 1 . 2]" 1
846 1 61 TYR HB2 1 63 THR H . . 4.380 4.139 3.843 4.383 0.003 16 0 "[ . 1 . 2]" 1
847 1 61 TYR HB3 1 62 ALA H . . 3.560 3.162 3.015 3.273 . 0 0 "[ . 1 . 2]" 1
848 1 61 TYR QD 1 62 ALA H . . 3.910 3.364 3.261 3.489 . 0 0 "[ . 1 . 2]" 1
849 1 61 TYR QD 1 63 THR H . . 4.400 3.709 3.572 3.865 . 0 0 "[ . 1 . 2]" 1
850 1 61 TYR QD 1 66 ASP HB2 . . 4.450 3.471 2.779 3.996 . 0 0 "[ . 1 . 2]" 1
851 1 61 TYR QD 1 66 ASP HB3 . . 4.450 2.104 1.996 2.437 . 0 0 "[ . 1 . 2]" 1
852 1 61 TYR QD 1 67 VAL QG . . 3.800 3.040 2.490 3.430 . 0 0 "[ . 1 . 2]" 1
853 1 61 TYR QE 1 66 ASP H . . 5.500 5.508 5.504 5.519 0.019 9 0 "[ . 1 . 2]" 1
854 1 61 TYR QE 1 67 VAL H . . 4.610 4.442 4.256 4.611 0.001 3 0 "[ . 1 . 2]" 1
855 1 61 TYR QE 1 67 VAL HA . . 4.520 2.829 2.402 3.481 . 0 0 "[ . 1 . 2]" 1
856 1 61 TYR QE 1 67 VAL QG . . 3.960 2.796 2.384 3.402 . 0 0 "[ . 1 . 2]" 1
857 1 61 TYR QE 1 68 PRO QD . . 3.770 2.890 2.620 3.191 . 0 0 "[ . 1 . 2]" 1
858 1 62 ALA H 1 62 ALA MB . . 2.660 2.053 2.031 2.102 . 0 0 "[ . 1 . 2]" 1
859 1 62 ALA H 1 63 THR H . . 3.380 2.593 2.551 2.704 . 0 0 "[ . 1 . 2]" 1
860 1 62 ALA H 1 63 THR MG . . 4.530 4.235 3.987 4.532 0.002 16 0 "[ . 1 . 2]" 1
861 1 62 ALA H 1 66 ASP QB . . 4.210 3.640 3.227 4.078 . 0 0 "[ . 1 . 2]" 1
862 1 62 ALA HA 1 63 THR MG . . 4.860 4.313 3.879 4.783 . 0 0 "[ . 1 . 2]" 1
863 1 62 ALA MB 1 63 THR H . . 2.950 2.887 2.756 2.954 0.004 7 0 "[ . 1 . 2]" 1
864 1 63 THR H 1 63 THR HB . . 4.100 3.696 3.411 3.955 . 0 0 "[ . 1 . 2]" 1
865 1 63 THR H 1 63 THR MG . . 3.320 2.686 2.336 3.045 . 0 0 "[ . 1 . 2]" 1
866 1 63 THR H 1 64 LEU H . . 4.460 4.338 4.291 4.391 . 0 0 "[ . 1 . 2]" 1
867 1 63 THR H 1 66 ASP H . . 4.230 3.983 3.744 4.149 . 0 0 "[ . 1 . 2]" 1
868 1 63 THR H 1 66 ASP QB . . 3.510 2.729 2.420 3.152 . 0 0 "[ . 1 . 2]" 1
869 1 63 THR H 1 67 VAL QG . . 5.390 4.848 4.225 5.374 . 0 0 "[ . 1 . 2]" 1
870 1 63 THR HA 1 63 THR MG . . 3.450 2.916 2.373 3.207 . 0 0 "[ . 1 . 2]" 1
871 1 63 THR HA 1 64 LEU H . . 3.170 2.310 2.246 2.429 . 0 0 "[ . 1 . 2]" 1
872 1 63 THR HA 1 64 LEU HG . . 4.640 4.243 3.570 4.642 0.002 6 0 "[ . 1 . 2]" 1
873 1 63 THR HA 1 65 ALA H . . 4.010 3.910 3.794 4.028 0.018 17 0 "[ . 1 . 2]" 1
874 1 63 THR HA 1 66 ASP H . . 5.080 4.834 4.543 4.994 . 0 0 "[ . 1 . 2]" 1
875 1 63 THR HB 1 64 LEU H . . 3.890 3.416 2.626 3.870 . 0 0 "[ . 1 . 2]" 1
876 1 63 THR HB 1 65 ALA H . . 4.070 3.544 2.507 4.115 0.045 5 0 "[ . 1 . 2]" 1
877 1 63 THR MG 1 64 LEU H . . 3.980 3.746 3.349 3.892 . 0 0 "[ . 1 . 2]" 1
878 1 63 THR MG 1 65 ALA H . . 4.320 3.075 1.951 4.320 0.000 10 0 "[ . 1 . 2]" 1
879 1 63 THR MG 1 66 ASP H . . 5.000 3.359 2.320 5.002 0.002 15 0 "[ . 1 . 2]" 1
880 1 64 LEU H 1 64 LEU HB2 . . 3.750 3.413 2.749 3.586 . 0 0 "[ . 1 . 2]" 1
881 1 64 LEU H 1 64 LEU HB3 . . 3.750 2.852 2.639 3.564 . 0 0 "[ . 1 . 2]" 1
882 1 64 LEU H 1 64 LEU MD1 . . 3.880 3.450 2.478 3.867 . 0 0 "[ . 1 . 2]" 1
883 1 64 LEU H 1 64 LEU MD2 . . 3.880 2.669 1.939 3.640 . 0 0 "[ . 1 . 2]" 1
884 1 64 LEU H 1 64 LEU HG . . 3.340 2.195 1.947 2.551 . 0 0 "[ . 1 . 2]" 1
885 1 64 LEU H 1 65 ALA H . . 3.440 2.618 2.568 2.688 . 0 0 "[ . 1 . 2]" 1
886 1 64 LEU H 1 66 ASP H . . 4.680 4.223 4.002 4.297 . 0 0 "[ . 1 . 2]" 1
887 1 64 LEU H 1 67 VAL H . . 5.500 5.389 4.997 5.513 0.013 9 0 "[ . 1 . 2]" 1
888 1 64 LEU HA 1 66 ASP H . . 3.740 3.461 3.389 3.564 . 0 0 "[ . 1 . 2]" 1
889 1 64 LEU HA 1 67 VAL H . . 3.730 3.459 2.926 3.733 0.003 17 0 "[ . 1 . 2]" 1
890 1 64 LEU QB 1 65 ALA H . . 4.090 3.511 2.756 3.702 . 0 0 "[ . 1 . 2]" 1
891 1 64 LEU QD 1 65 ALA H . . 4.550 3.258 2.619 3.790 . 0 0 "[ . 1 . 2]" 1
892 1 64 LEU QD 1 89 GLU H . . 4.440 4.380 4.123 4.449 0.009 5 0 "[ . 1 . 2]" 1
893 1 64 LEU QD 1 89 GLU QB . . 3.710 1.962 1.806 2.255 . 0 0 "[ . 1 . 2]" 1
894 1 64 LEU QD 1 89 GLU QG . . 4.370 3.284 2.309 3.598 . 0 0 "[ . 1 . 2]" 1
895 1 64 LEU QD 1 90 ALA H . . 3.460 3.402 3.030 3.469 0.009 19 0 "[ . 1 . 2]" 1
896 1 64 LEU QD 1 90 ALA HA . . 3.230 2.778 2.326 3.139 . 0 0 "[ . 1 . 2]" 1
897 1 64 LEU HG 1 66 ASP H . . 5.350 5.019 4.728 5.518 0.168 19 0 "[ . 1 . 2]" 1
898 1 65 ALA H 1 65 ALA MB . . 2.490 2.197 2.045 2.292 . 0 0 "[ . 1 . 2]" 1
899 1 65 ALA H 1 66 ASP H . . 3.250 2.563 2.475 2.625 . 0 0 "[ . 1 . 2]" 1
900 1 65 ALA H 1 66 ASP QB . . 4.680 4.086 3.869 4.318 . 0 0 "[ . 1 . 2]" 1
901 1 65 ALA H 1 67 VAL H . . 4.230 4.225 4.088 4.253 0.023 11 0 "[ . 1 . 2]" 1
902 1 65 ALA H 1 93 ILE MG . . 4.430 3.881 2.565 4.432 0.002 1 0 "[ . 1 . 2]" 1
903 1 65 ALA HA 1 93 ILE MG . . 3.350 2.558 1.975 3.121 . 0 0 "[ . 1 . 2]" 1
904 1 65 ALA MB 1 66 ASP H . . 3.550 3.327 3.053 3.491 . 0 0 "[ . 1 . 2]" 1
905 1 65 ALA MB 1 66 ASP HA . . 4.290 4.042 3.916 4.145 . 0 0 "[ . 1 . 2]" 1
906 1 65 ALA MB 1 67 VAL H . . 4.950 4.730 4.450 4.819 . 0 0 "[ . 1 . 2]" 1
907 1 65 ALA MB 1 93 ILE MG . . 3.520 2.677 1.858 3.480 . 0 0 "[ . 1 . 2]" 1
908 1 66 ASP H 1 66 ASP HB2 . . 3.350 2.670 2.208 3.056 . 0 0 "[ . 1 . 2]" 1
909 1 66 ASP H 1 66 ASP QB . . 2.900 2.356 2.179 2.506 . 0 0 "[ . 1 . 2]" 1
910 1 66 ASP H 1 66 ASP HB3 . . 3.350 2.829 2.540 3.352 0.002 4 0 "[ . 1 . 2]" 1
911 1 66 ASP H 1 67 VAL H . . 2.960 2.068 1.891 2.285 . 0 0 "[ . 1 . 2]" 1
912 1 66 ASP H 1 67 VAL HB . . 4.710 4.478 4.341 4.677 . 0 0 "[ . 1 . 2]" 1
913 1 66 ASP H 1 67 VAL QG . . 3.340 3.272 3.084 3.353 0.013 10 0 "[ . 1 . 2]" 1
914 1 66 ASP QB 1 67 VAL H . . 4.140 3.002 2.769 3.313 . 0 0 "[ . 1 . 2]" 1
915 1 67 VAL H 1 67 VAL HB . . 2.960 2.738 2.562 2.975 0.015 8 0 "[ . 1 . 2]" 1
916 1 67 VAL H 1 67 VAL QG . . 2.600 1.998 1.899 2.353 . 0 0 "[ . 1 . 2]" 1
917 1 67 VAL H 1 68 PRO QD . . 4.720 4.216 3.968 4.313 . 0 0 "[ . 1 . 2]" 1
918 1 67 VAL HA 1 68 PRO HD2 . . 3.800 2.052 1.914 2.111 . 0 0 "[ . 1 . 2]" 1
919 1 67 VAL HA 1 68 PRO QD . . 3.290 1.911 1.852 1.939 . 0 0 "[ . 1 . 2]" 1
920 1 67 VAL HA 1 68 PRO HD3 . . 3.800 2.310 2.258 2.463 . 0 0 "[ . 1 . 2]" 1
921 1 67 VAL HA 1 69 GLU H . . 4.120 4.034 3.570 4.131 0.011 15 0 "[ . 1 . 2]" 1
922 1 67 VAL QG 1 68 PRO HD2 . . 4.040 2.114 1.899 2.690 . 0 0 "[ . 1 . 2]" 1
923 1 67 VAL QG 1 68 PRO QD . . 3.540 2.089 1.885 2.634 . 0 0 "[ . 1 . 2]" 1
924 1 67 VAL QG 1 68 PRO HD3 . . 4.040 3.348 3.169 3.778 . 0 0 "[ . 1 . 2]" 1
925 1 67 VAL QG 1 69 GLU H . . 2.530 2.121 1.918 2.531 0.001 16 0 "[ . 1 . 2]" 1
926 1 67 VAL QG 1 69 GLU QG . . 4.410 3.907 3.674 4.245 . 0 0 "[ . 1 . 2]" 1
927 1 68 PRO HB2 1 69 GLU H . . 3.370 3.093 3.009 3.389 0.019 8 0 "[ . 1 . 2]" 1
928 1 68 PRO QD 1 69 GLU H . . 3.420 2.636 2.606 2.658 . 0 0 "[ . 1 . 2]" 1
929 1 68 PRO HD2 1 69 GLU H . . 4.050 2.684 2.651 2.709 . 0 0 "[ . 1 . 2]" 1
930 1 68 PRO HD3 1 69 GLU H . . 4.050 3.847 3.842 3.857 . 0 0 "[ . 1 . 2]" 1
931 1 69 GLU H 1 69 GLU HA . . 2.840 2.826 2.753 2.902 0.062 15 0 "[ . 1 . 2]" 1
932 1 69 GLU H 1 69 GLU HB2 . . 3.130 2.484 2.185 2.791 . 0 0 "[ . 1 . 2]" 1
933 1 69 GLU H 1 69 GLU QB . . 2.640 2.230 2.129 2.281 . 0 0 "[ . 1 . 2]" 1
934 1 69 GLU H 1 69 GLU HB3 . . 3.130 2.605 2.348 2.940 . 0 0 "[ . 1 . 2]" 1
935 1 69 GLU H 1 70 LYS H . . 4.700 4.563 4.366 4.641 . 0 0 "[ . 1 . 2]" 1
936 1 69 GLU HA 1 70 LYS H . . 2.590 2.211 2.137 2.321 . 0 0 "[ . 1 . 2]" 1
937 1 69 GLU QB 1 70 LYS H . . 4.220 3.611 3.329 3.915 . 0 0 "[ . 1 . 2]" 1
938 1 69 GLU QG 1 70 LYS H . . 3.240 2.526 1.930 3.139 . 0 0 "[ . 1 . 2]" 1
939 1 70 LYS H 1 70 LYS QB . . 2.800 2.561 2.255 2.768 . 0 0 "[ . 1 . 2]" 1
940 1 70 LYS H 1 70 LYS HG2 . . 3.590 2.783 1.947 3.592 0.002 11 0 "[ . 1 . 2]" 1
941 1 70 LYS H 1 70 LYS QG . . 3.040 2.272 1.930 2.699 . 0 0 "[ . 1 . 2]" 1
942 1 70 LYS H 1 70 LYS HG3 . . 3.590 2.920 2.045 3.590 . 0 0 "[ . 1 . 2]" 1
943 1 70 LYS H 1 71 VAL H . . 4.600 4.472 4.363 4.591 . 0 0 "[ . 1 . 2]" 1
944 1 70 LYS HA 1 70 LYS HG2 . . 4.120 2.992 2.246 4.087 . 0 0 "[ . 1 . 2]" 1
945 1 70 LYS HA 1 70 LYS QG . . 3.620 2.814 2.205 3.353 . 0 0 "[ . 1 . 2]" 1
946 1 70 LYS HA 1 70 LYS HG3 . . 4.120 3.588 3.211 4.010 . 0 0 "[ . 1 . 2]" 1
947 1 70 LYS HA 1 71 VAL H . . 2.540 2.160 2.141 2.238 . 0 0 "[ . 1 . 2]" 1
948 1 70 LYS QB 1 71 VAL H . . 3.670 3.192 2.829 3.433 . 0 0 "[ . 1 . 2]" 1
949 1 70 LYS QE 1 70 LYS QG . . 2.970 2.230 1.999 2.639 . 0 0 "[ . 1 . 2]" 1
950 1 71 VAL H 1 71 VAL HB . . 2.950 2.555 2.443 2.852 . 0 0 "[ . 1 . 2]" 1
951 1 71 VAL H 1 71 VAL MG1 . . 3.790 2.491 2.023 3.797 0.007 19 0 "[ . 1 . 2]" 1
952 1 71 VAL H 1 71 VAL QG . . 2.770 2.201 2.015 2.554 . 0 0 "[ . 1 . 2]" 1
953 1 71 VAL H 1 71 VAL MG2 . . 3.790 3.503 2.148 3.794 0.004 20 0 "[ . 1 . 2]" 1
954 1 71 VAL H 1 72 ASP H . . 4.620 4.594 4.544 4.617 . 0 0 "[ . 1 . 2]" 1
955 1 71 VAL HA 1 72 ASP H . . 3.080 2.226 2.189 2.258 . 0 0 "[ . 1 . 2]" 1
956 1 71 VAL HA 1 73 MET H . . 4.380 3.913 3.793 4.219 . 0 0 "[ . 1 . 2]" 1
957 1 71 VAL HB 1 72 ASP H . . 4.230 4.059 3.904 4.171 . 0 0 "[ . 1 . 2]" 1
958 1 71 VAL QG 1 72 ASP H . . 3.060 2.041 1.918 2.264 . 0 0 "[ . 1 . 2]" 1
959 1 71 VAL QG 1 72 ASP QB . . 5.160 3.627 3.433 3.894 . 0 0 "[ . 1 . 2]" 1
960 1 71 VAL QG 1 73 MET H . . 3.350 2.003 1.899 2.404 . 0 0 "[ . 1 . 2]" 1
961 1 71 VAL QG 1 74 VAL H . . 4.000 3.455 3.300 3.843 . 0 0 "[ . 1 . 2]" 1
962 1 71 VAL QG 1 97 THR H . . 4.600 4.061 3.555 4.487 . 0 0 "[ . 1 . 2]" 1
963 1 71 VAL MG1 1 72 ASP H . . 4.240 3.374 2.213 3.833 . 0 0 "[ . 1 . 2]" 1
964 1 71 VAL MG2 1 72 ASP H . . 4.240 2.381 1.925 3.910 . 0 0 "[ . 1 . 2]" 1
965 1 72 ASP H 1 72 ASP HB2 . . 3.790 2.475 2.214 2.985 . 0 0 "[ . 1 . 2]" 1
966 1 72 ASP H 1 72 ASP HB3 . . 3.790 3.121 2.480 3.733 . 0 0 "[ . 1 . 2]" 1
967 1 72 ASP HA 1 96 LYS QE . . 4.070 3.491 1.974 4.078 0.008 2 0 "[ . 1 . 2]" 1
968 1 72 ASP HA 1 96 LYS QG . . 4.330 2.835 2.035 3.761 . 0 0 "[ . 1 . 2]" 1
969 1 72 ASP QB 1 73 MET H . . 3.430 2.868 2.520 3.029 . 0 0 "[ . 1 . 2]" 1
970 1 72 ASP HB2 1 73 MET H . . 4.250 3.477 2.685 4.064 . 0 0 "[ . 1 . 2]" 1
971 1 72 ASP HB3 1 73 MET H . . 4.250 3.283 2.575 3.993 . 0 0 "[ . 1 . 2]" 1
972 1 73 MET H 1 73 MET HB2 . . 3.790 3.107 2.929 3.471 . 0 0 "[ . 1 . 2]" 1
973 1 73 MET H 1 73 MET QB . . 3.320 2.686 2.597 2.755 . 0 0 "[ . 1 . 2]" 1
974 1 73 MET H 1 73 MET HB3 . . 3.790 2.971 2.744 3.131 . 0 0 "[ . 1 . 2]" 1
975 1 73 MET H 1 73 MET HG2 . . 4.930 4.662 4.356 4.914 . 0 0 "[ . 1 . 2]" 1
976 1 73 MET H 1 73 MET HG3 . . 4.930 4.693 4.430 4.940 0.010 3 0 "[ . 1 . 2]" 1
977 1 73 MET HA 1 74 VAL H . . 3.140 2.147 2.141 2.168 . 0 0 "[ . 1 . 2]" 1
978 1 73 MET HA 1 96 LYS H . . 4.750 4.576 4.129 4.752 0.002 7 0 "[ . 1 . 2]" 1
979 1 73 MET HA 1 97 THR H . . 3.580 3.164 2.726 3.384 . 0 0 "[ . 1 . 2]" 1
980 1 73 MET HA 1 97 THR HB . . 4.100 2.009 1.989 2.225 . 0 0 "[ . 1 . 2]" 1
981 1 73 MET QB 1 97 THR MG . . 4.310 3.954 2.966 4.313 0.003 10 0 "[ . 1 . 2]" 1
982 1 73 MET QG 1 74 VAL H . . 3.710 2.976 2.557 3.230 . 0 0 "[ . 1 . 2]" 1
983 1 73 MET QG 1 99 TRP H . . 4.600 3.999 3.165 4.464 . 0 0 "[ . 1 . 2]" 1
984 1 73 MET HG2 1 74 VAL H . . 4.270 3.422 2.748 4.286 0.016 11 0 "[ . 1 . 2]" 1
985 1 73 MET HG3 1 74 VAL H . . 4.270 3.568 2.578 4.190 . 0 0 "[ . 1 . 2]" 1
986 1 74 VAL H 1 74 VAL HB . . 3.280 2.569 2.505 2.690 . 0 0 "[ . 1 . 2]" 1
987 1 74 VAL H 1 74 VAL QG . . 3.260 2.452 2.311 2.714 . 0 0 "[ . 1 . 2]" 1
988 1 74 VAL H 1 95 ALA MB . . 4.590 4.438 3.920 4.597 0.007 11 0 "[ . 1 . 2]" 1
989 1 74 VAL H 1 97 THR H . . 3.990 3.567 3.106 3.992 0.002 18 0 "[ . 1 . 2]" 1
990 1 74 VAL H 1 97 THR HB . . 3.940 3.143 2.616 3.700 . 0 0 "[ . 1 . 2]" 1
991 1 74 VAL H 1 97 THR MG . . 4.480 4.275 4.056 4.482 0.002 1 0 "[ . 1 . 2]" 1
992 1 74 VAL H 1 98 LEU H . . 4.600 4.509 4.367 4.600 0.000 9 0 "[ . 1 . 2]" 1
993 1 74 VAL H 1 98 LEU HA . . 3.980 3.034 2.561 3.508 . 0 0 "[ . 1 . 2]" 1
994 1 74 VAL H 1 98 LEU QD . . 4.560 3.967 3.550 4.489 . 0 0 "[ . 1 . 2]" 1
995 1 74 VAL H 1 99 TRP H . . 4.300 3.910 3.404 4.304 0.004 13 0 "[ . 1 . 2]" 1
996 1 74 VAL HA 1 75 ASP H . . 3.070 2.153 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
997 1 74 VAL HB 1 99 TRP H . . 4.220 3.720 3.267 4.221 0.001 3 0 "[ . 1 . 2]" 1
998 1 74 VAL QG 1 75 ASP H . . 3.260 2.747 2.266 3.121 . 0 0 "[ . 1 . 2]" 1
999 1 74 VAL QG 1 97 THR H . . 4.650 3.526 3.110 4.223 . 0 0 "[ . 1 . 2]" 1
1000 1 75 ASP H 1 75 ASP HB2 . . 3.860 2.511 2.155 3.731 . 0 0 "[ . 1 . 2]" 1
1001 1 75 ASP H 1 75 ASP QB . . 3.370 2.394 2.134 3.061 . 0 0 "[ . 1 . 2]" 1
1002 1 75 ASP H 1 75 ASP HB3 . . 3.860 3.428 2.832 3.725 . 0 0 "[ . 1 . 2]" 1
1003 1 75 ASP H 1 76 VAL H . . 4.780 4.424 4.200 4.567 . 0 0 "[ . 1 . 2]" 1
1004 1 75 ASP H 1 99 TRP H . . 4.910 4.804 4.554 4.917 0.007 20 0 "[ . 1 . 2]" 1
1005 1 75 ASP HA 1 76 VAL H . . 3.250 2.177 2.139 2.287 . 0 0 "[ . 1 . 2]" 1
1006 1 75 ASP HA 1 76 VAL QG . . 4.130 3.546 3.309 3.775 . 0 0 "[ . 1 . 2]" 1
1007 1 75 ASP HA 1 99 TRP H . . 4.220 3.094 2.418 3.657 . 0 0 "[ . 1 . 2]" 1
1008 1 75 ASP HA 1 99 TRP HB2 . . 4.220 3.451 3.137 3.847 . 0 0 "[ . 1 . 2]" 1
1009 1 75 ASP HA 1 99 TRP HB3 . . 4.390 2.504 2.273 2.858 . 0 0 "[ . 1 . 2]" 1
1010 1 75 ASP QB 1 76 VAL H . . 4.210 3.301 2.711 3.931 . 0 0 "[ . 1 . 2]" 1
1011 1 76 VAL H 1 76 VAL HB . . 3.570 2.684 2.522 2.818 . 0 0 "[ . 1 . 2]" 1
1012 1 76 VAL H 1 76 VAL QG . . 3.110 2.570 2.360 2.777 . 0 0 "[ . 1 . 2]" 1
1013 1 76 VAL H 1 77 PHE H . . 4.400 4.229 3.935 4.372 . 0 0 "[ . 1 . 2]" 1
1014 1 76 VAL H 1 99 TRP HB2 . . 4.760 4.755 4.570 4.775 0.015 2 0 "[ . 1 . 2]" 1
1015 1 76 VAL H 1 99 TRP HB3 . . 4.480 3.412 3.251 3.566 . 0 0 "[ . 1 . 2]" 1
1016 1 76 VAL H 1 99 TRP HD1 . . 5.250 4.887 4.390 5.250 . 0 0 "[ . 1 . 2]" 1
1017 1 76 VAL H 1 100 LEU HA . . 3.990 3.122 2.967 3.227 . 0 0 "[ . 1 . 2]" 1
1018 1 76 VAL H 1 100 LEU QD . . 3.650 3.576 3.371 3.656 0.006 9 0 "[ . 1 . 2]" 1
1019 1 76 VAL H 1 101 GLN H . . 5.500 5.361 5.002 5.513 0.013 11 0 "[ . 1 . 2]" 1
1020 1 76 VAL HA 1 77 PHE H . . 3.100 2.150 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
1021 1 76 VAL HA 1 78 ARG H . . 3.720 3.355 3.239 3.483 . 0 0 "[ . 1 . 2]" 1
1022 1 76 VAL HB 1 77 PHE H . . 4.640 4.278 4.123 4.371 . 0 0 "[ . 1 . 2]" 1
1023 1 76 VAL HB 1 78 ARG H . . 5.010 4.883 4.451 5.011 0.001 6 0 "[ . 1 . 2]" 1
1024 1 76 VAL HB 1 100 LEU HA . . 3.830 2.512 2.023 2.883 . 0 0 "[ . 1 . 2]" 1
1025 1 76 VAL HB 1 100 LEU QD . . 3.680 2.192 1.878 2.503 . 0 0 "[ . 1 . 2]" 1
1026 1 76 VAL HB 1 101 GLN H . . 4.590 4.393 3.937 4.611 0.021 19 0 "[ . 1 . 2]" 1
1027 1 76 VAL QG 1 77 PHE H . . 3.180 2.804 2.402 3.130 . 0 0 "[ . 1 . 2]" 1
1028 1 76 VAL QG 1 78 ARG H . . 2.810 2.563 2.008 2.801 . 0 0 "[ . 1 . 2]" 1
1029 1 76 VAL QG 1 78 ARG QB . . 4.450 2.798 2.555 3.128 . 0 0 "[ . 1 . 2]" 1
1030 1 76 VAL QG 1 79 ASN H . . 4.210 2.968 2.537 3.404 . 0 0 "[ . 1 . 2]" 1
1031 1 76 VAL QG 1 99 TRP H . . 3.780 3.514 3.058 3.785 0.005 5 0 "[ . 1 . 2]" 1
1032 1 76 VAL QG 1 101 GLN H . . 4.740 4.429 4.002 4.696 . 0 0 "[ . 1 . 2]" 1
1033 1 77 PHE H 1 77 PHE HB2 . . 3.840 2.724 2.526 3.629 . 0 0 "[ . 1 . 2]" 1
1034 1 77 PHE H 1 77 PHE HB3 . . 3.840 3.763 3.456 3.850 0.010 14 0 "[ . 1 . 2]" 1
1035 1 77 PHE H 1 77 PHE QD . . 3.580 3.119 2.477 3.507 . 0 0 "[ . 1 . 2]" 1
1036 1 77 PHE H 1 78 ARG H . . 3.470 1.911 1.888 2.000 . 0 0 "[ . 1 . 2]" 1
1037 1 77 PHE H 1 78 ARG QG . . 4.420 3.483 2.942 4.239 . 0 0 "[ . 1 . 2]" 1
1038 1 77 PHE HA 1 77 PHE QD . . 4.170 2.635 2.224 3.647 . 0 0 "[ . 1 . 2]" 1
1039 1 77 PHE QB 1 78 ARG H . . 3.690 3.298 3.025 3.767 0.077 19 0 "[ . 1 . 2]" 1
1040 1 77 PHE QD 1 78 ARG H . . 4.670 4.416 2.591 4.678 0.008 10 0 "[ . 1 . 2]" 1
1041 1 78 ARG H 1 78 ARG HB2 . . 3.750 2.397 2.137 2.670 . 0 0 "[ . 1 . 2]" 1
1042 1 78 ARG H 1 78 ARG HB3 . . 3.750 3.559 3.450 3.591 . 0 0 "[ . 1 . 2]" 1
1043 1 78 ARG H 1 78 ARG HD2 . . 5.160 4.667 4.113 5.018 . 0 0 "[ . 1 . 2]" 1
1044 1 78 ARG H 1 78 ARG QD . . 4.450 3.947 3.539 4.310 . 0 0 "[ . 1 . 2]" 1
1045 1 78 ARG H 1 78 ARG HD3 . . 5.160 4.298 3.741 4.800 . 0 0 "[ . 1 . 2]" 1
1046 1 78 ARG H 1 78 ARG QG . . 3.270 2.420 1.928 3.002 . 0 0 "[ . 1 . 2]" 1
1047 1 78 ARG H 1 79 ASN H . . 4.250 3.139 3.046 3.212 . 0 0 "[ . 1 . 2]" 1
1048 1 78 ARG H 1 82 ALA MB . . 4.710 4.298 3.960 4.596 . 0 0 "[ . 1 . 2]" 1
1049 1 78 ARG HA 1 78 ARG QD . . 4.680 4.034 3.349 4.259 . 0 0 "[ . 1 . 2]" 1
1050 1 78 ARG HA 1 78 ARG QG . . 3.900 2.330 2.185 2.499 . 0 0 "[ . 1 . 2]" 1
1051 1 78 ARG QB 1 79 ASN H . . 3.130 2.075 1.928 2.283 . 0 0 "[ . 1 . 2]" 1
1052 1 78 ARG QB 1 79 ASN QB . . 4.510 3.173 3.012 3.301 . 0 0 "[ . 1 . 2]" 1
1053 1 78 ARG QB 1 82 ALA MB . . 3.530 2.383 2.153 2.701 . 0 0 "[ . 1 . 2]" 1
1054 1 78 ARG HB2 1 79 ASN H . . 3.610 2.169 1.957 2.571 . 0 0 "[ . 1 . 2]" 1
1055 1 78 ARG HB3 1 79 ASN H . . 3.610 2.802 2.416 3.215 . 0 0 "[ . 1 . 2]" 1
1056 1 78 ARG QD 1 82 ALA MB . . 4.200 3.101 2.281 4.037 . 0 0 "[ . 1 . 2]" 1
1057 1 78 ARG QD 1 86 VAL MG1 . . 5.170 4.772 3.690 5.178 0.008 11 0 "[ . 1 . 2]" 1
1058 1 78 ARG QD 1 86 VAL MG2 . . 4.410 3.313 2.502 4.060 . 0 0 "[ . 1 . 2]" 1
1059 1 79 ASN H 1 79 ASN HB2 . . 3.890 3.045 2.773 3.293 . 0 0 "[ . 1 . 2]" 1
1060 1 79 ASN H 1 79 ASN QB . . 3.350 2.849 2.702 2.972 . 0 0 "[ . 1 . 2]" 1
1061 1 79 ASN H 1 79 ASN HB3 . . 3.890 3.543 3.196 3.837 . 0 0 "[ . 1 . 2]" 1
1062 1 79 ASN H 1 82 ALA MB . . 3.220 2.391 2.089 2.856 . 0 0 "[ . 1 . 2]" 1
1063 1 79 ASN HA 1 80 SER H . . 3.530 2.562 2.451 2.641 . 0 0 "[ . 1 . 2]" 1
1064 1 79 ASN QB 1 80 SER H . . 3.320 2.482 1.988 2.823 . 0 0 "[ . 1 . 2]" 1
1065 1 79 ASN QB 1 81 GLU H . . 4.190 3.072 2.859 3.209 . 0 0 "[ . 1 . 2]" 1
1066 1 79 ASN QB 1 82 ALA H . . 4.560 2.618 2.207 2.836 . 0 0 "[ . 1 . 2]" 1
1067 1 79 ASN HB2 1 80 SER H . . 3.800 3.718 3.446 3.801 0.001 13 0 "[ . 1 . 2]" 1
1068 1 79 ASN HB2 1 81 GLU H . . 4.910 4.635 4.215 4.909 . 0 0 "[ . 1 . 2]" 1
1069 1 79 ASN HB3 1 80 SER H . . 3.800 2.529 2.001 2.910 . 0 0 "[ . 1 . 2]" 1
1070 1 79 ASN HB3 1 81 GLU H . . 4.910 3.119 2.888 3.254 . 0 0 "[ . 1 . 2]" 1
1071 1 80 SER H 1 80 SER HB2 . . 3.770 3.170 2.291 3.610 . 0 0 "[ . 1 . 2]" 1
1072 1 80 SER H 1 80 SER QB . . 3.300 2.524 2.203 2.847 . 0 0 "[ . 1 . 2]" 1
1073 1 80 SER H 1 80 SER HB3 . . 3.770 2.825 2.303 3.606 . 0 0 "[ . 1 . 2]" 1
1074 1 80 SER H 1 81 GLU H . . 3.940 2.702 2.559 2.863 . 0 0 "[ . 1 . 2]" 1
1075 1 80 SER HA 1 82 ALA H . . 4.580 4.108 4.017 4.245 . 0 0 "[ . 1 . 2]" 1
1076 1 80 SER HA 1 83 ALA H . . 4.430 3.547 3.166 4.038 . 0 0 "[ . 1 . 2]" 1
1077 1 80 SER QB 1 82 ALA H . . 5.160 4.590 4.249 4.915 . 0 0 "[ . 1 . 2]" 1
1078 1 80 SER HB2 1 81 GLU H . . 4.060 3.192 2.139 3.847 . 0 0 "[ . 1 . 2]" 1
1079 1 80 SER HB3 1 81 GLU H . . 4.060 3.372 2.287 3.842 . 0 0 "[ . 1 . 2]" 1
1080 1 81 GLU H 1 81 GLU QB . . 2.860 2.427 2.167 2.615 . 0 0 "[ . 1 . 2]" 1
1081 1 81 GLU H 1 81 GLU QG . . 4.080 2.768 1.975 4.057 . 0 0 "[ . 1 . 2]" 1
1082 1 81 GLU H 1 82 ALA H . . 3.070 2.686 2.522 2.785 . 0 0 "[ . 1 . 2]" 1
1083 1 81 GLU H 1 82 ALA HA . . 5.500 5.270 5.095 5.382 . 0 0 "[ . 1 . 2]" 1
1084 1 81 GLU H 1 82 ALA MB . . 4.720 4.304 4.160 4.436 . 0 0 "[ . 1 . 2]" 1
1085 1 81 GLU H 1 83 ALA H . . 4.830 4.197 3.994 4.434 . 0 0 "[ . 1 . 2]" 1
1086 1 81 GLU H 1 106 ASN QD . . 4.560 4.046 3.636 4.559 . 0 0 "[ . 1 . 2]" 1
1087 1 81 GLU HA 1 83 ALA H . . 4.230 3.944 3.636 4.228 . 0 0 "[ . 1 . 2]" 1
1088 1 81 GLU HA 1 84 TRP H . . 4.760 3.822 3.469 4.014 . 0 0 "[ . 1 . 2]" 1
1089 1 81 GLU HA 1 106 ASN HD21 . . 4.170 3.666 2.711 4.170 . 20 0 "[ . 1 . 2]" 1
1090 1 81 GLU HA 1 106 ASN HD22 . . 4.170 2.902 1.960 3.647 . 0 0 "[ . 1 . 2]" 1
1091 1 81 GLU QB 1 82 ALA H . . 3.130 2.820 2.633 2.911 . 0 0 "[ . 1 . 2]" 1
1092 1 81 GLU QG 1 82 ALA H . . 4.190 4.011 3.657 4.172 . 0 0 "[ . 1 . 2]" 1
1093 1 82 ALA H 1 82 ALA MB . . 2.770 2.122 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
1094 1 82 ALA HA 1 84 TRP H . . 4.150 4.026 3.691 4.147 . 0 0 "[ . 1 . 2]" 1
1095 1 82 ALA HA 1 85 GLY H . . 4.210 3.315 3.227 3.437 . 0 0 "[ . 1 . 2]" 1
1096 1 82 ALA MB 1 83 ALA H . . 4.600 2.878 2.671 2.986 . 0 0 "[ . 1 . 2]" 1
1097 1 82 ALA MB 1 85 GLY H . . 4.940 4.559 4.423 4.694 . 0 0 "[ . 1 . 2]" 1
1098 1 82 ALA MB 1 86 VAL MG2 . . 3.850 2.699 2.379 3.024 . 0 0 "[ . 1 . 2]" 1
1099 1 83 ALA H 1 83 ALA MB . . 2.730 2.213 2.095 2.236 . 0 0 "[ . 1 . 2]" 1
1100 1 83 ALA H 1 84 TRP H . . 3.120 2.806 2.704 2.846 . 0 0 "[ . 1 . 2]" 1
1101 1 83 ALA H 1 84 TRP QB . . 4.990 4.554 4.458 4.587 . 0 0 "[ . 1 . 2]" 1
1102 1 83 ALA H 1 85 GLY H . . 4.690 4.542 4.472 4.648 . 0 0 "[ . 1 . 2]" 1
1103 1 83 ALA H 1 86 VAL H . . 4.980 4.816 4.740 4.897 . 0 0 "[ . 1 . 2]" 1
1104 1 83 ALA H 1 86 VAL MG2 . . 4.840 4.449 4.150 4.657 . 0 0 "[ . 1 . 2]" 1
1105 1 83 ALA H 1 100 LEU QD . . 4.370 4.131 3.847 4.374 0.004 5 0 "[ . 1 . 2]" 1
1106 1 83 ALA H 1 106 ASN QD . . 4.490 3.861 3.349 4.334 . 0 0 "[ . 1 . 2]" 1
1107 1 83 ALA HA 1 84 TRP HA . . 4.800 4.767 4.749 4.789 . 0 0 "[ . 1 . 2]" 1
1108 1 83 ALA HA 1 86 VAL H . . 3.770 3.736 3.626 3.769 . 0 0 "[ . 1 . 2]" 1
1109 1 83 ALA HA 1 86 VAL HB . . 3.520 2.947 2.762 3.057 . 0 0 "[ . 1 . 2]" 1
1110 1 83 ALA MB 1 84 TRP H . . 3.350 2.578 2.478 2.769 . 0 0 "[ . 1 . 2]" 1
1111 1 83 ALA MB 1 100 LEU QD . . 2.970 1.840 1.729 2.025 . 0 0 "[ . 1 . 2]" 1
1112 1 83 ALA MB 1 106 ASN H . . 5.500 5.127 4.751 5.498 . 0 0 "[ . 1 . 2]" 1
1113 1 83 ALA MB 1 106 ASN QB . . 3.620 3.016 2.427 3.389 . 0 0 "[ . 1 . 2]" 1
1114 1 83 ALA MB 1 106 ASN HD21 . . 4.320 2.725 2.214 3.337 . 0 0 "[ . 1 . 2]" 1
1115 1 83 ALA MB 1 106 ASN QD . . 3.790 2.558 2.175 2.976 . 0 0 "[ . 1 . 2]" 1
1116 1 83 ALA MB 1 106 ASN HD22 . . 4.320 3.267 2.686 4.150 . 0 0 "[ . 1 . 2]" 1
1117 1 84 TRP H 1 84 TRP QB . . 2.740 2.238 2.234 2.241 . 0 0 "[ . 1 . 2]" 1
1118 1 84 TRP H 1 85 GLY H . . 3.160 2.741 2.679 2.799 . 0 0 "[ . 1 . 2]" 1
1119 1 84 TRP H 1 86 VAL H . . 4.140 4.017 3.837 4.130 . 0 0 "[ . 1 . 2]" 1
1120 1 84 TRP H 1 106 ASN QB . . 5.300 4.878 4.467 5.281 . 0 0 "[ . 1 . 2]" 1
1121 1 84 TRP H 1 106 ASN HD21 . . 4.200 3.779 3.301 4.180 . 0 0 "[ . 1 . 2]" 1
1122 1 84 TRP H 1 106 ASN QD . . 3.670 3.424 3.121 3.671 0.001 9 0 "[ . 1 . 2]" 1
1123 1 84 TRP H 1 106 ASN HD22 . . 4.200 3.996 3.383 4.204 0.004 8 0 "[ . 1 . 2]" 1
1124 1 84 TRP H 1 109 ALA MB . . 4.060 3.412 2.981 3.775 . 0 0 "[ . 1 . 2]" 1
1125 1 84 TRP HA 1 84 TRP HD1 . . 4.580 4.277 4.162 4.489 . 0 0 "[ . 1 . 2]" 1
1126 1 84 TRP HA 1 84 TRP HE3 . . 3.750 3.192 2.800 3.395 . 0 0 "[ . 1 . 2]" 1
1127 1 84 TRP HA 1 86 VAL H . . 4.700 4.368 4.198 4.595 . 0 0 "[ . 1 . 2]" 1
1128 1 84 TRP HA 1 87 ALA H . . 4.570 3.419 3.286 3.524 . 0 0 "[ . 1 . 2]" 1
1129 1 84 TRP HA 1 87 ALA MB . . 3.240 2.381 2.213 2.508 . 0 0 "[ . 1 . 2]" 1
1130 1 84 TRP HA 1 109 ALA MB . . 3.790 2.751 2.170 3.130 . 0 0 "[ . 1 . 2]" 1
1131 1 84 TRP QB 1 84 TRP HD1 . . 3.390 2.636 2.553 2.683 . 0 0 "[ . 1 . 2]" 1
1132 1 84 TRP HD1 1 85 GLY H . . 4.100 3.020 2.896 3.152 . 0 0 "[ . 1 . 2]" 1
1133 1 84 TRP HE1 1 85 GLY H . . 5.500 5.482 5.403 5.504 0.004 3 0 "[ . 1 . 2]" 1
1134 1 84 TRP HE1 1 88 GLN HE21 . . 3.980 2.665 2.417 2.978 . 0 0 "[ . 1 . 2]" 1
1135 1 84 TRP HE1 1 88 GLN HE22 . . 3.740 2.123 1.981 2.432 . 0 0 "[ . 1 . 2]" 1
1136 1 84 TRP HE1 1 112 LEU QD . . 4.360 3.810 3.593 4.125 . 0 0 "[ . 1 . 2]" 1
1137 1 84 TRP HE3 1 108 GLN H . . 4.950 4.948 4.899 4.959 0.009 16 0 "[ . 1 . 2]" 1
1138 1 84 TRP HE3 1 108 GLN HA . . 5.260 4.182 3.881 4.496 . 0 0 "[ . 1 . 2]" 1
1139 1 84 TRP HE3 1 109 ALA H . . 3.930 3.204 2.963 3.379 . 0 0 "[ . 1 . 2]" 1
1140 1 84 TRP HE3 1 109 ALA HA . . 3.490 2.489 2.223 2.720 . 0 0 "[ . 1 . 2]" 1
1141 1 84 TRP HE3 1 109 ALA MB . . 3.690 3.264 2.809 3.575 . 0 0 "[ . 1 . 2]" 1
1142 1 84 TRP HE3 1 110 ALA H . . 5.290 4.999 4.673 5.256 . 0 0 "[ . 1 . 2]" 1
1143 1 84 TRP HE3 1 112 LEU H . . 5.120 4.577 4.008 5.040 . 0 0 "[ . 1 . 2]" 1
1144 1 84 TRP HE3 1 112 LEU QB . . 5.140 3.433 3.027 3.859 . 0 0 "[ . 1 . 2]" 1
1145 1 84 TRP HE3 1 112 LEU QD . . 4.280 3.121 2.709 3.605 . 0 0 "[ . 1 . 2]" 1
1146 1 84 TRP HH2 1 112 LEU H . . 5.500 5.046 4.462 5.500 0.000 12 0 "[ . 1 . 2]" 1
1147 1 84 TRP HH2 1 112 LEU HB2 . . 5.500 3.823 3.288 4.487 . 0 0 "[ . 1 . 2]" 1
1148 1 84 TRP HH2 1 112 LEU QB . . 4.690 3.733 3.245 4.298 . 0 0 "[ . 1 . 2]" 1
1149 1 84 TRP HH2 1 112 LEU HB3 . . 5.500 5.331 4.864 5.509 0.009 5 0 "[ . 1 . 2]" 1
1150 1 84 TRP HH2 1 112 LEU MD1 . . 4.160 3.333 2.964 4.022 . 0 0 "[ . 1 . 2]" 1
1151 1 84 TRP HH2 1 112 LEU QD . . 3.630 3.163 2.903 3.617 . 0 0 "[ . 1 . 2]" 1
1152 1 84 TRP HH2 1 112 LEU MD2 . . 4.160 4.006 3.749 4.160 . 1 0 "[ . 1 . 2]" 1
1153 1 84 TRP HZ2 1 88 GLN HE21 . . 4.280 3.918 3.397 4.175 . 0 0 "[ . 1 . 2]" 1
1154 1 84 TRP HZ2 1 88 GLN HE22 . . 4.380 4.106 3.622 4.382 0.002 17 0 "[ . 1 . 2]" 1
1155 1 84 TRP HZ2 1 112 LEU MD1 . . 4.400 3.575 3.031 4.200 . 0 0 "[ . 1 . 2]" 1
1156 1 84 TRP HZ2 1 112 LEU QD . . 3.780 3.287 2.978 3.596 . 0 0 "[ . 1 . 2]" 1
1157 1 84 TRP HZ2 1 112 LEU MD2 . . 4.400 4.004 3.631 4.402 0.002 9 0 "[ . 1 . 2]" 1
1158 1 84 TRP HZ3 1 108 GLN HA . . 4.200 3.181 2.937 3.430 . 0 0 "[ . 1 . 2]" 1
1159 1 84 TRP HZ3 1 108 GLN HB3 . . 4.150 2.816 2.198 3.468 . 0 0 "[ . 1 . 2]" 1
1160 1 84 TRP HZ3 1 108 GLN QG . . 4.500 2.639 1.996 3.632 . 0 0 "[ . 1 . 2]" 1
1161 1 84 TRP HZ3 1 109 ALA H . . 4.700 4.400 3.967 4.703 0.003 3 0 "[ . 1 . 2]" 1
1162 1 84 TRP HZ3 1 109 ALA HA . . 4.220 3.745 3.261 4.086 . 0 0 "[ . 1 . 2]" 1
1163 1 84 TRP HZ3 1 112 LEU H . . 4.130 3.457 2.711 4.005 . 0 0 "[ . 1 . 2]" 1
1164 1 84 TRP HZ3 1 112 LEU QB . . 3.960 2.804 2.358 3.114 . 0 0 "[ . 1 . 2]" 1
1165 1 84 TRP HZ3 1 112 LEU MD1 . . 4.950 3.742 2.883 4.791 . 0 0 "[ . 1 . 2]" 1
1166 1 84 TRP HZ3 1 112 LEU QD . . 4.150 3.328 2.855 3.857 . 0 0 "[ . 1 . 2]" 1
1167 1 84 TRP HZ3 1 112 LEU MD2 . . 4.950 4.002 3.477 4.597 . 0 0 "[ . 1 . 2]" 1
1168 1 85 GLY H 1 86 VAL H . . 2.980 2.768 2.684 2.818 . 0 0 "[ . 1 . 2]" 1
1169 1 85 GLY H 1 86 VAL MG2 . . 4.270 4.198 4.027 4.272 0.002 17 0 "[ . 1 . 2]" 1
1170 1 85 GLY H 1 87 ALA MB . . 4.790 4.663 4.503 4.788 . 0 0 "[ . 1 . 2]" 1
1171 1 85 GLY H 1 88 GLN HG2 . . 4.720 4.625 4.489 4.723 0.003 5 0 "[ . 1 . 2]" 1
1172 1 85 GLY QA 1 87 ALA H . . 4.550 4.021 3.774 4.188 . 0 0 "[ . 1 . 2]" 1
1173 1 85 GLY QA 1 88 GLN HE21 . . 4.040 3.535 3.250 3.928 . 0 0 "[ . 1 . 2]" 1
1174 1 85 GLY QA 1 88 GLN HE22 . . 4.370 3.616 3.315 3.966 . 0 0 "[ . 1 . 2]" 1
1175 1 85 GLY QA 1 88 GLN HG2 . . 4.380 2.538 2.380 2.714 . 0 0 "[ . 1 . 2]" 1
1176 1 86 VAL H 1 86 VAL HB . . 2.960 2.534 2.497 2.628 . 0 0 "[ . 1 . 2]" 1
1177 1 86 VAL H 1 86 VAL MG1 . . 3.870 3.775 3.768 3.793 . 0 0 "[ . 1 . 2]" 1
1178 1 86 VAL H 1 86 VAL MG2 . . 2.810 2.223 2.110 2.384 . 0 0 "[ . 1 . 2]" 1
1179 1 86 VAL H 1 87 ALA H . . 2.970 2.447 2.352 2.512 . 0 0 "[ . 1 . 2]" 1
1180 1 86 VAL H 1 87 ALA MB . . 4.200 4.079 3.968 4.149 . 0 0 "[ . 1 . 2]" 1
1181 1 86 VAL H 1 98 LEU QD . . 5.160 5.030 4.737 5.157 . 0 0 "[ . 1 . 2]" 1
1182 1 86 VAL HA 1 86 VAL MG1 . . 3.200 2.331 2.227 2.383 . 0 0 "[ . 1 . 2]" 1
1183 1 86 VAL HA 1 86 VAL MG2 . . 3.180 2.414 2.371 2.439 . 0 0 "[ . 1 . 2]" 1
1184 1 86 VAL HA 1 89 GLU H . . 3.950 3.575 3.463 3.721 . 0 0 "[ . 1 . 2]" 1
1185 1 86 VAL HA 1 89 GLU HB2 . . 4.430 2.781 2.420 4.581 0.151 17 0 "[ . 1 . 2]" 1
1186 1 86 VAL HA 1 89 GLU QB . . 3.810 2.717 2.400 3.829 0.019 17 0 "[ . 1 . 2]" 1
1187 1 86 VAL HA 1 89 GLU HB3 . . 4.430 4.248 3.957 4.434 0.004 19 0 "[ . 1 . 2]" 1
1188 1 86 VAL HA 1 89 GLU HG2 . . 4.820 4.238 1.964 4.821 0.001 8 0 "[ . 1 . 2]" 1
1189 1 86 VAL HA 1 89 GLU QG . . 4.120 3.000 1.930 3.251 . 0 0 "[ . 1 . 2]" 1
1190 1 86 VAL HA 1 89 GLU HG3 . . 4.820 3.114 2.759 3.306 . 0 0 "[ . 1 . 2]" 1
1191 1 86 VAL HB 1 87 ALA H . . 3.260 2.812 2.650 3.075 . 0 0 "[ . 1 . 2]" 1
1192 1 86 VAL MG1 1 87 ALA H . . 4.140 3.652 3.511 3.815 . 0 0 "[ . 1 . 2]" 1
1193 1 87 ALA H 1 87 ALA HA . . 2.920 2.805 2.769 2.860 . 0 0 "[ . 1 . 2]" 1
1194 1 87 ALA H 1 87 ALA MB . . 2.610 2.149 2.030 2.231 . 0 0 "[ . 1 . 2]" 1
1195 1 87 ALA H 1 88 GLN H . . 3.190 2.826 2.555 2.960 . 0 0 "[ . 1 . 2]" 1
1196 1 87 ALA H 1 89 GLU H . . 4.170 4.126 3.977 4.173 0.003 9 0 "[ . 1 . 2]" 1
1197 1 87 ALA H 1 90 ALA H . . 4.800 4.712 4.629 4.812 0.012 11 0 "[ . 1 . 2]" 1
1198 1 87 ALA H 1 98 LEU QD . . 3.620 3.608 3.526 3.629 0.009 9 0 "[ . 1 . 2]" 1
1199 1 87 ALA H 1 112 LEU QD . . 4.490 3.897 3.570 4.202 . 0 0 "[ . 1 . 2]" 1
1200 1 87 ALA HA 1 98 LEU QD . . 3.330 2.299 2.029 2.572 . 0 0 "[ . 1 . 2]" 1
1201 1 87 ALA MB 1 88 GLN H . . 2.980 2.388 2.183 2.543 . 0 0 "[ . 1 . 2]" 1
1202 1 87 ALA MB 1 98 LEU QD . . 3.040 2.085 1.905 2.360 . 0 0 "[ . 1 . 2]" 1
1203 1 87 ALA MB 1 112 LEU QD . . 3.510 2.059 1.819 2.415 . 0 0 "[ . 1 . 2]" 1
1204 1 88 GLN H 1 88 GLN HB2 . . 3.590 3.587 3.586 3.590 0.000 19 0 "[ . 1 . 2]" 1
1205 1 88 GLN H 1 88 GLN HB3 . . 3.140 2.623 2.607 2.634 . 0 0 "[ . 1 . 2]" 1
1206 1 88 GLN H 1 88 GLN HE21 . . 4.450 3.558 3.475 3.661 . 0 0 "[ . 1 . 2]" 1
1207 1 88 GLN H 1 88 GLN HG2 . . 2.820 1.953 1.937 1.985 . 0 0 "[ . 1 . 2]" 1
1208 1 88 GLN H 1 88 GLN HG3 . . 3.250 3.222 3.163 3.257 0.007 11 0 "[ . 1 . 2]" 1
1209 1 88 GLN H 1 89 GLU H . . 3.230 2.792 2.716 2.849 . 0 0 "[ . 1 . 2]" 1
1210 1 88 GLN H 1 89 GLU QG . . 5.120 4.515 3.737 4.869 . 0 0 "[ . 1 . 2]" 1
1211 1 88 GLN H 1 90 ALA H . . 4.330 4.295 4.136 4.333 0.003 11 0 "[ . 1 . 2]" 1
1212 1 88 GLN H 1 91 ILE MD . . 4.530 3.791 3.638 3.955 . 0 0 "[ . 1 . 2]" 1
1213 1 88 GLN H 1 112 LEU MD1 . . 4.490 3.688 2.113 4.492 0.002 16 0 "[ . 1 . 2]" 1
1214 1 88 GLN H 1 112 LEU QD . . 3.680 2.220 2.098 2.352 . 0 0 "[ . 1 . 2]" 1
1215 1 88 GLN H 1 112 LEU MD2 . . 4.490 2.666 2.145 3.824 . 0 0 "[ . 1 . 2]" 1
1216 1 88 GLN HA 1 88 GLN HG2 . . 3.800 3.676 3.653 3.695 . 0 0 "[ . 1 . 2]" 1
1217 1 88 GLN HA 1 88 GLN HG3 . . 4.020 3.812 3.793 3.834 . 0 0 "[ . 1 . 2]" 1
1218 1 88 GLN HA 1 90 ALA H . . 4.620 4.517 4.329 4.622 0.002 8 0 "[ . 1 . 2]" 1
1219 1 88 GLN HA 1 91 ILE H . . 3.900 3.581 3.356 3.736 . 0 0 "[ . 1 . 2]" 1
1220 1 88 GLN HA 1 91 ILE MD . . 3.590 2.314 2.038 2.586 . 0 0 "[ . 1 . 2]" 1
1221 1 88 GLN HA 1 91 ILE HG13 . . 4.260 4.049 3.623 4.259 . 0 0 "[ . 1 . 2]" 1
1222 1 88 GLN HA 1 92 ALA H . . 4.550 4.247 3.878 4.555 0.005 19 0 "[ . 1 . 2]" 1
1223 1 88 GLN HA 1 112 LEU QD . . 3.890 2.344 1.879 2.785 . 0 0 "[ . 1 . 2]" 1
1224 1 88 GLN HB2 1 89 GLU H . . 3.710 3.565 3.513 3.611 . 0 0 "[ . 1 . 2]" 1
1225 1 88 GLN HB3 1 88 GLN HE21 . . 4.750 1.962 1.947 2.061 . 0 0 "[ . 1 . 2]" 1
1226 1 88 GLN HB3 1 88 GLN HE22 . . 4.540 3.449 3.420 3.488 . 0 0 "[ . 1 . 2]" 1
1227 1 88 GLN HB3 1 89 GLU H . . 4.290 3.953 3.927 4.009 . 0 0 "[ . 1 . 2]" 1
1228 1 88 GLN HE21 1 112 LEU MD1 . . 4.410 3.321 2.241 3.933 . 0 0 "[ . 1 . 2]" 1
1229 1 88 GLN HE21 1 112 LEU QD . . 3.600 2.556 2.228 2.755 . 0 0 "[ . 1 . 2]" 1
1230 1 88 GLN HE21 1 112 LEU MD2 . . 4.410 3.077 2.521 3.925 . 0 0 "[ . 1 . 2]" 1
1231 1 88 GLN HE22 1 112 LEU MD1 . . 5.130 4.581 3.622 5.130 . 0 0 "[ . 1 . 2]" 1
1232 1 88 GLN HE22 1 112 LEU QD . . 3.980 3.854 3.553 3.982 0.002 14 0 "[ . 1 . 2]" 1
1233 1 88 GLN HE22 1 112 LEU MD2 . . 5.130 4.443 3.905 5.139 0.009 5 0 "[ . 1 . 2]" 1
1234 1 88 GLN HG2 1 89 GLU H . . 3.430 2.568 2.512 2.700 . 0 0 "[ . 1 . 2]" 1
1235 1 88 GLN HG2 1 112 LEU QD . . 3.960 3.220 3.032 3.344 . 0 0 "[ . 1 . 2]" 1
1236 1 88 GLN HG3 1 90 ALA H . . 4.830 4.792 4.702 4.829 . 0 0 "[ . 1 . 2]" 1
1237 1 88 GLN HG3 1 112 LEU QD . . 4.280 4.127 3.912 4.286 0.006 12 0 "[ . 1 . 2]" 1
1238 1 89 GLU H 1 89 GLU HB2 . . 3.730 2.480 2.277 3.585 . 0 0 "[ . 1 . 2]" 1
1239 1 89 GLU H 1 89 GLU QB . . 3.070 2.397 2.251 2.635 . 0 0 "[ . 1 . 2]" 1
1240 1 89 GLU H 1 89 GLU HB3 . . 3.730 3.534 2.711 3.594 . 0 0 "[ . 1 . 2]" 1
1241 1 89 GLU H 1 89 GLU HG2 . . 3.350 2.695 1.931 3.347 . 0 0 "[ . 1 . 2]" 1
1242 1 89 GLU H 1 89 GLU QG . . 2.870 2.369 1.906 2.736 . 0 0 "[ . 1 . 2]" 1
1243 1 89 GLU H 1 89 GLU HG3 . . 3.350 2.989 2.541 3.334 . 0 0 "[ . 1 . 2]" 1
1244 1 89 GLU H 1 90 ALA H . . 3.200 2.700 2.612 2.767 . 0 0 "[ . 1 . 2]" 1
1245 1 89 GLU H 1 90 ALA MB . . 4.550 4.303 4.236 4.391 . 0 0 "[ . 1 . 2]" 1
1246 1 89 GLU H 1 91 ILE MD . . 4.960 4.935 4.797 4.966 0.006 5 0 "[ . 1 . 2]" 1
1247 1 89 GLU HA 1 92 ALA H . . 3.940 3.471 3.250 3.621 . 0 0 "[ . 1 . 2]" 1
1248 1 89 GLU HA 1 92 ALA MB . . 3.440 2.453 2.222 2.657 . 0 0 "[ . 1 . 2]" 1
1249 1 89 GLU HA 1 93 ILE H . . 4.390 4.278 4.137 4.388 . 0 0 "[ . 1 . 2]" 1
1250 1 89 GLU QB 1 90 ALA H . . 3.300 2.556 2.427 3.345 0.045 17 0 "[ . 1 . 2]" 1
1251 1 89 GLU QB 1 90 ALA MB . . 4.390 3.788 3.675 4.396 0.006 17 0 "[ . 1 . 2]" 1
1252 1 89 GLU QG 1 90 ALA H . . 4.650 3.971 1.975 4.246 . 0 0 "[ . 1 . 2]" 1
1253 1 90 ALA H 1 90 ALA MB . . 2.740 2.102 2.027 2.232 . 0 0 "[ . 1 . 2]" 1
1254 1 90 ALA H 1 91 ILE H . . 2.980 2.699 2.501 2.804 . 0 0 "[ . 1 . 2]" 1
1255 1 90 ALA H 1 92 ALA H . . 4.160 3.963 3.892 4.150 . 0 0 "[ . 1 . 2]" 1
1256 1 90 ALA H 1 92 ALA MB . . 4.710 4.585 4.485 4.711 0.001 5 0 "[ . 1 . 2]" 1
1257 1 90 ALA HA 1 92 ALA H . . 4.470 4.161 4.004 4.412 . 0 0 "[ . 1 . 2]" 1
1258 1 90 ALA HA 1 93 ILE H . . 3.990 3.669 3.467 3.827 . 0 0 "[ . 1 . 2]" 1
1259 1 90 ALA HA 1 93 ILE QG . . 4.070 2.250 1.971 2.609 . 0 0 "[ . 1 . 2]" 1
1260 1 90 ALA MB 1 91 ILE H . . 3.260 2.581 2.397 2.750 . 0 0 "[ . 1 . 2]" 1
1261 1 91 ILE H 1 91 ILE HB . . 2.890 2.524 2.498 2.554 . 0 0 "[ . 1 . 2]" 1
1262 1 91 ILE H 1 91 ILE MD . . 3.350 3.169 2.998 3.332 . 0 0 "[ . 1 . 2]" 1
1263 1 91 ILE H 1 91 ILE HG12 . . 3.820 3.652 3.536 3.815 . 0 0 "[ . 1 . 2]" 1
1264 1 91 ILE H 1 91 ILE HG13 . . 3.010 2.178 2.062 2.351 . 0 0 "[ . 1 . 2]" 1
1265 1 91 ILE H 1 91 ILE MG . . 3.930 3.765 3.763 3.769 . 0 0 "[ . 1 . 2]" 1
1266 1 91 ILE H 1 92 ALA H . . 3.230 2.564 2.455 2.658 . 0 0 "[ . 1 . 2]" 1
1267 1 91 ILE H 1 92 ALA MB . . 4.210 4.153 4.026 4.219 0.009 18 0 "[ . 1 . 2]" 1
1268 1 91 ILE H 1 93 ILE H . . 4.600 4.425 4.142 4.549 . 0 0 "[ . 1 . 2]" 1
1269 1 91 ILE H 1 118 LEU MD1 . . 5.020 4.706 3.754 5.026 0.006 18 0 "[ . 1 . 2]" 1
1270 1 91 ILE H 1 118 LEU QD . . 4.120 3.696 3.333 4.120 0.000 18 0 "[ . 1 . 2]" 1
1271 1 91 ILE H 1 118 LEU MD2 . . 5.020 3.882 3.502 4.377 . 0 0 "[ . 1 . 2]" 1
1272 1 91 ILE HA 1 91 ILE MD . . 4.000 3.879 3.857 3.889 . 0 0 "[ . 1 . 2]" 1
1273 1 91 ILE HA 1 91 ILE HG13 . . 4.250 2.728 2.595 2.825 . 0 0 "[ . 1 . 2]" 1
1274 1 91 ILE HA 1 91 ILE MG . . 3.450 2.359 2.309 2.393 . 0 0 "[ . 1 . 2]" 1
1275 1 91 ILE HA 1 94 GLY H . . 3.900 3.428 3.331 3.614 . 0 0 "[ . 1 . 2]" 1
1276 1 91 ILE HA 1 116 ALA MB . . 4.620 3.981 3.471 4.402 . 0 0 "[ . 1 . 2]" 1
1277 1 91 ILE HA 1 118 LEU MD1 . . 4.410 3.051 2.067 4.284 . 0 0 "[ . 1 . 2]" 1
1278 1 91 ILE HA 1 118 LEU QD . . 3.440 2.658 2.048 3.151 . 0 0 "[ . 1 . 2]" 1
1279 1 91 ILE HA 1 118 LEU MD2 . . 4.410 3.187 2.088 3.850 . 0 0 "[ . 1 . 2]" 1
1280 1 91 ILE HB 1 91 ILE MD . . 3.260 2.250 2.111 2.327 . 0 0 "[ . 1 . 2]" 1
1281 1 91 ILE HB 1 92 ALA H . . 3.050 2.905 2.689 3.046 . 0 0 "[ . 1 . 2]" 1
1282 1 91 ILE HB 1 116 ALA MB . . 3.980 3.983 3.951 4.035 0.055 5 0 "[ . 1 . 2]" 1
1283 1 91 ILE MD 1 91 ILE MG . . 2.970 2.250 2.060 2.505 . 0 0 "[ . 1 . 2]" 1
1284 1 91 ILE MD 1 92 ALA H . . 4.590 4.496 4.283 4.597 0.007 15 0 "[ . 1 . 2]" 1
1285 1 91 ILE MD 1 112 LEU H . . 5.500 4.978 4.393 5.501 0.001 1 0 "[ . 1 . 2]" 1
1286 1 91 ILE MD 1 112 LEU MD1 . . 3.740 2.900 2.569 3.245 . 0 0 "[ . 1 . 2]" 1
1287 1 91 ILE MD 1 112 LEU QD . . 3.060 2.323 1.724 2.763 . 0 0 "[ . 1 . 2]" 1
1288 1 91 ILE MD 1 112 LEU MD2 . . 3.740 2.536 1.742 3.215 . 0 0 "[ . 1 . 2]" 1
1289 1 91 ILE MD 1 112 LEU HG . . 3.740 2.667 2.011 3.786 0.046 9 0 "[ . 1 . 2]" 1
1290 1 91 ILE MD 1 113 ALA H . . 4.080 3.361 2.611 3.887 . 0 0 "[ . 1 . 2]" 1
1291 1 91 ILE MD 1 113 ALA HA . . 3.430 2.054 1.899 2.355 . 0 0 "[ . 1 . 2]" 1
1292 1 91 ILE MD 1 113 ALA MB . . 3.860 2.685 2.250 3.186 . 0 0 "[ . 1 . 2]" 1
1293 1 91 ILE MD 1 114 ARG H . . 4.950 4.637 4.263 4.874 . 0 0 "[ . 1 . 2]" 1
1294 1 91 ILE MD 1 116 ALA H . . 4.090 3.873 3.511 4.092 0.002 7 0 "[ . 1 . 2]" 1
1295 1 91 ILE MD 1 116 ALA MB . . 3.210 2.877 2.546 3.154 . 0 0 "[ . 1 . 2]" 1
1296 1 91 ILE MD 1 117 GLY H . . 5.100 5.076 4.978 5.124 0.024 9 0 "[ . 1 . 2]" 1
1297 1 91 ILE HG13 1 118 LEU QD . . 4.190 2.609 2.155 3.233 . 0 0 "[ . 1 . 2]" 1
1298 1 91 ILE MG 1 92 ALA H . . 4.300 3.658 3.522 3.743 . 0 0 "[ . 1 . 2]" 1
1299 1 91 ILE MG 1 92 ALA HA . . 4.160 3.575 3.470 3.680 . 0 0 "[ . 1 . 2]" 1
1300 1 91 ILE MG 1 116 ALA H . . 4.350 3.831 3.393 4.354 0.004 16 0 "[ . 1 . 2]" 1
1301 1 91 ILE MG 1 116 ALA MB . . 2.680 1.797 1.738 1.860 . 0 0 "[ . 1 . 2]" 1
1302 1 91 ILE MG 1 117 GLY H . . 4.890 4.851 4.417 4.899 0.009 9 0 "[ . 1 . 2]" 1
1303 1 92 ALA H 1 92 ALA MB . . 2.510 2.067 2.031 2.240 . 0 0 "[ . 1 . 2]" 1
1304 1 92 ALA H 1 93 ILE H . . 3.240 2.670 2.506 2.819 . 0 0 "[ . 1 . 2]" 1
1305 1 92 ALA H 1 93 ILE HA . . 5.390 5.278 5.153 5.392 0.002 11 0 "[ . 1 . 2]" 1
1306 1 92 ALA H 1 93 ILE QG . . 4.230 3.831 3.623 3.947 . 0 0 "[ . 1 . 2]" 1
1307 1 92 ALA H 1 93 ILE MG . . 4.760 4.326 4.111 4.583 . 0 0 "[ . 1 . 2]" 1
1308 1 92 ALA H 1 94 GLY H . . 3.870 3.768 3.678 3.858 . 0 0 "[ . 1 . 2]" 1
1309 1 93 ILE H 1 93 ILE HB . . 3.690 3.625 3.618 3.649 . 0 0 "[ . 1 . 2]" 1
1310 1 93 ILE H 1 93 ILE MD . . 3.700 3.662 3.573 3.703 0.003 13 0 "[ . 1 . 2]" 1
1311 1 93 ILE H 1 93 ILE QG . . 3.150 2.024 1.926 2.094 . 0 0 "[ . 1 . 2]" 1
1312 1 93 ILE H 1 93 ILE MG . . 2.810 2.329 2.144 2.473 . 0 0 "[ . 1 . 2]" 1
1313 1 93 ILE H 1 94 GLY H . . 2.940 2.489 2.353 2.527 . 0 0 "[ . 1 . 2]" 1
1314 1 93 ILE HA 1 93 ILE MG . . 3.110 2.296 2.217 2.396 . 0 0 "[ . 1 . 2]" 1
1315 1 93 ILE HB 1 94 GLY H . . 4.230 3.934 3.849 4.012 . 0 0 "[ . 1 . 2]" 1
1316 1 93 ILE QG 1 94 GLY H . . 3.300 2.249 2.036 2.388 . 0 0 "[ . 1 . 2]" 1
1317 1 93 ILE QG 1 95 ALA H . . 3.620 3.019 2.723 3.616 . 0 0 "[ . 1 . 2]" 1
1318 1 93 ILE HG12 1 94 GLY H . . 3.910 3.033 2.554 3.851 . 0 0 "[ . 1 . 2]" 1
1319 1 93 ILE HG12 1 95 ALA H . . 4.370 4.000 3.433 4.376 0.006 19 0 "[ . 1 . 2]" 1
1320 1 93 ILE HG13 1 94 GLY H . . 3.910 2.360 2.045 2.592 . 0 0 "[ . 1 . 2]" 1
1321 1 93 ILE HG13 1 95 ALA H . . 4.370 3.137 2.817 3.872 . 0 0 "[ . 1 . 2]" 1
1322 1 93 ILE MG 1 94 GLY H . . 4.030 3.980 3.865 4.033 0.003 11 0 "[ . 1 . 2]" 1
1323 1 94 GLY H 1 95 ALA H . . 3.110 2.396 2.253 2.839 . 0 0 "[ . 1 . 2]" 1
1324 1 94 GLY H 1 95 ALA MB . . 3.950 3.879 3.786 3.961 0.011 9 0 "[ . 1 . 2]" 1
1325 1 94 GLY QA 1 95 ALA H . . 3.090 2.552 2.318 2.633 . 0 0 "[ . 1 . 2]" 1
1326 1 94 GLY QA 1 118 LEU QD . . 5.170 3.685 3.246 3.992 . 0 0 "[ . 1 . 2]" 1
1327 1 95 ALA H 1 95 ALA MB . . 2.650 2.113 2.032 2.243 . 0 0 "[ . 1 . 2]" 1
1328 1 95 ALA H 1 118 LEU MD1 . . 4.440 2.983 2.487 4.126 . 0 0 "[ . 1 . 2]" 1
1329 1 95 ALA H 1 118 LEU QD . . 3.090 2.787 2.432 3.012 . 0 0 "[ . 1 . 2]" 1
1330 1 95 ALA H 1 118 LEU MD2 . . 4.440 3.638 3.006 4.174 . 0 0 "[ . 1 . 2]" 1
1331 1 95 ALA HA 1 96 LYS H . . 2.830 2.621 2.486 2.715 . 0 0 "[ . 1 . 2]" 1
1332 1 95 ALA MB 1 96 LYS H . . 3.110 2.088 1.916 2.297 . 0 0 "[ . 1 . 2]" 1
1333 1 95 ALA MB 1 96 LYS HA . . 4.180 3.914 3.838 4.009 . 0 0 "[ . 1 . 2]" 1
1334 1 95 ALA MB 1 96 LYS QB . . 4.670 4.161 4.033 4.361 . 0 0 "[ . 1 . 2]" 1
1335 1 95 ALA MB 1 97 THR H . . 4.070 2.983 2.635 3.240 . 0 0 "[ . 1 . 2]" 1
1336 1 96 LYS H 1 96 LYS QB . . 3.130 2.575 2.425 2.764 . 0 0 "[ . 1 . 2]" 1
1337 1 96 LYS H 1 96 LYS QG . . 3.320 3.098 2.500 3.322 0.002 5 0 "[ . 1 . 2]" 1
1338 1 96 LYS H 1 97 THR H . . 3.120 1.903 1.886 1.961 . 0 0 "[ . 1 . 2]" 1
1339 1 96 LYS H 1 118 LEU QD . . 4.710 3.177 2.891 4.066 . 0 0 "[ . 1 . 2]" 1
1340 1 96 LYS HA 1 96 LYS QG . . 3.520 2.522 2.187 3.125 . 0 0 "[ . 1 . 2]" 1
1341 1 96 LYS QB 1 96 LYS QE . . 4.240 2.430 1.964 3.683 . 0 0 "[ . 1 . 2]" 1
1342 1 96 LYS QB 1 97 THR H . . 3.440 2.664 2.529 2.853 . 0 0 "[ . 1 . 2]" 1
1343 1 96 LYS QD 1 97 THR H . . 5.500 5.009 4.673 5.324 . 0 0 "[ . 1 . 2]" 1
1344 1 96 LYS QE 1 97 THR H . . 5.500 5.356 4.845 5.504 0.004 2 0 "[ . 1 . 2]" 1
1345 1 96 LYS QG 1 97 THR H . . 5.060 4.140 3.690 4.329 . 0 0 "[ . 1 . 2]" 1
1346 1 97 THR H 1 97 THR HB . . 3.590 3.097 2.993 3.188 . 0 0 "[ . 1 . 2]" 1
1347 1 97 THR H 1 97 THR MG . . 4.150 4.003 3.967 4.051 . 0 0 "[ . 1 . 2]" 1
1348 1 97 THR H 1 98 LEU H . . 4.530 4.408 4.349 4.445 . 0 0 "[ . 1 . 2]" 1
1349 1 97 THR H 1 98 LEU HB2 . . 5.070 5.043 4.875 5.082 0.012 9 0 "[ . 1 . 2]" 1
1350 1 97 THR H 1 118 LEU QD . . 4.300 3.447 3.046 3.968 . 0 0 "[ . 1 . 2]" 1
1351 1 97 THR H 1 119 SER QB . . 5.040 4.992 4.725 5.044 0.004 16 0 "[ . 1 . 2]" 1
1352 1 97 THR HA 1 97 THR MG . . 3.690 2.102 2.019 2.225 . 0 0 "[ . 1 . 2]" 1
1353 1 97 THR HA 1 98 LEU H . . 3.020 2.349 2.344 2.354 . 0 0 "[ . 1 . 2]" 1
1354 1 97 THR HA 1 98 LEU HA . . 4.640 4.466 4.451 4.482 . 0 0 "[ . 1 . 2]" 1
1355 1 97 THR HA 1 119 SER H . . 3.320 2.953 2.728 3.138 . 0 0 "[ . 1 . 2]" 1
1356 1 97 THR HA 1 119 SER QB . . 4.310 2.539 2.298 2.688 . 0 0 "[ . 1 . 2]" 1
1357 1 97 THR HB 1 98 LEU HA . . 4.360 4.254 4.167 4.334 . 0 0 "[ . 1 . 2]" 1
1358 1 97 THR MG 1 98 LEU H . . 3.240 2.060 1.912 2.176 . 0 0 "[ . 1 . 2]" 1
1359 1 97 THR MG 1 119 SER H . . 4.480 3.974 3.650 4.226 . 0 0 "[ . 1 . 2]" 1
1360 1 97 THR MG 1 119 SER QB . . 4.100 2.145 1.925 2.389 . 0 0 "[ . 1 . 2]" 1
1361 1 97 THR MG 1 120 VAL H . . 5.300 5.075 4.809 5.302 0.002 15 0 "[ . 1 . 2]" 1
1362 1 98 LEU H 1 98 LEU HB2 . . 3.350 3.092 2.915 3.309 . 0 0 "[ . 1 . 2]" 1
1363 1 98 LEU H 1 98 LEU HB3 . . 3.380 2.874 2.705 3.020 . 0 0 "[ . 1 . 2]" 1
1364 1 98 LEU H 1 98 LEU QD . . 4.030 3.972 3.890 4.021 . 0 0 "[ . 1 . 2]" 1
1365 1 98 LEU H 1 98 LEU HG . . 4.810 4.624 4.411 4.715 . 0 0 "[ . 1 . 2]" 1
1366 1 98 LEU H 1 99 TRP H . . 4.690 4.143 3.834 4.296 . 0 0 "[ . 1 . 2]" 1
1367 1 98 LEU H 1 99 TRP HB2 . . 4.870 4.887 4.868 4.927 0.057 19 0 "[ . 1 . 2]" 1
1368 1 98 LEU H 1 118 LEU QD . . 4.150 3.978 3.559 4.148 . 0 0 "[ . 1 . 2]" 1
1369 1 98 LEU H 1 119 SER H . . 4.450 4.370 4.143 4.456 0.006 5 0 "[ . 1 . 2]" 1
1370 1 98 LEU H 1 119 SER QB . . 4.550 3.508 3.169 3.963 . 0 0 "[ . 1 . 2]" 1
1371 1 98 LEU H 1 120 VAL H . . 5.130 4.976 4.787 5.139 0.009 12 0 "[ . 1 . 2]" 1
1372 1 98 LEU H 1 120 VAL HA . . 3.470 3.211 2.756 3.470 0.000 2 0 "[ . 1 . 2]" 1
1373 1 98 LEU H 1 121 VAL H . . 4.560 3.872 3.657 4.200 . 0 0 "[ . 1 . 2]" 1
1374 1 98 LEU HA 1 98 LEU QD . . 3.350 2.271 1.995 2.629 . 0 0 "[ . 1 . 2]" 1
1375 1 98 LEU HA 1 99 TRP H . . 3.150 2.158 2.139 2.176 . 0 0 "[ . 1 . 2]" 1
1376 1 98 LEU HA 1 121 VAL H . . 5.330 4.932 4.801 5.058 . 0 0 "[ . 1 . 2]" 1
1377 1 98 LEU HB3 1 113 ALA MB . . 4.510 3.957 3.582 4.354 . 0 0 "[ . 1 . 2]" 1
1378 1 98 LEU HB3 1 118 LEU QD . . 4.220 3.637 3.330 4.225 0.005 18 0 "[ . 1 . 2]" 1
1379 1 98 LEU HB3 1 120 VAL H . . 4.660 4.626 4.309 4.664 0.004 11 0 "[ . 1 . 2]" 1
1380 1 98 LEU HB3 1 121 VAL H . . 4.260 3.113 2.865 3.451 . 0 0 "[ . 1 . 2]" 1
1381 1 98 LEU QD 1 99 TRP H . . 3.610 2.950 2.259 3.545 . 0 0 "[ . 1 . 2]" 1
1382 1 98 LEU QD 1 120 VAL H . . 5.270 5.006 4.539 5.250 . 0 0 "[ . 1 . 2]" 1
1383 1 98 LEU HG 1 99 TRP H . . 3.980 3.158 2.562 3.785 . 0 0 "[ . 1 . 2]" 1
1384 1 98 LEU HG 1 100 LEU H . . 5.500 4.999 4.565 5.415 . 0 0 "[ . 1 . 2]" 1
1385 1 99 TRP H 1 99 TRP HB2 . . 3.880 2.653 2.379 2.841 . 0 0 "[ . 1 . 2]" 1
1386 1 99 TRP H 1 99 TRP HB3 . . 3.940 3.026 2.923 3.104 . 0 0 "[ . 1 . 2]" 1
1387 1 99 TRP H 1 100 LEU H . . 4.770 4.408 4.293 4.555 . 0 0 "[ . 1 . 2]" 1
1388 1 99 TRP H 1 100 LEU HA . . 5.270 4.908 4.758 5.179 . 0 0 "[ . 1 . 2]" 1
1389 1 99 TRP HA 1 100 LEU H . . 3.010 2.184 2.152 2.227 . 0 0 "[ . 1 . 2]" 1
1390 1 99 TRP HA 1 121 VAL H . . 3.550 3.271 3.005 3.550 0.000 19 0 "[ . 1 . 2]" 1
1391 1 99 TRP HA 1 121 VAL HB . . 3.980 2.831 2.574 3.008 . 0 0 "[ . 1 . 2]" 1
1392 1 99 TRP HA 1 121 VAL MG1 . . 4.530 3.946 3.683 4.214 . 0 0 "[ . 1 . 2]" 1
1393 1 99 TRP HA 1 121 VAL QG . . 3.970 3.586 3.407 3.724 . 0 0 "[ . 1 . 2]" 1
1394 1 99 TRP HA 1 121 VAL MG2 . . 4.530 4.135 3.870 4.281 . 0 0 "[ . 1 . 2]" 1
1395 1 99 TRP HB2 1 100 LEU H . . 4.450 4.359 4.247 4.456 0.006 6 0 "[ . 1 . 2]" 1
1396 1 99 TRP HB3 1 99 TRP HE3 . . 4.210 4.144 4.087 4.188 . 0 0 "[ . 1 . 2]" 1
1397 1 99 TRP HB3 1 100 LEU H . . 4.050 3.721 3.588 3.838 . 0 0 "[ . 1 . 2]" 1
1398 1 99 TRP HD1 1 100 LEU H . . 4.540 3.488 2.956 3.842 . 0 0 "[ . 1 . 2]" 1
1399 1 99 TRP HD1 1 125 CYS HA . . 4.480 2.930 2.401 3.825 . 0 0 "[ . 1 . 2]" 1
1400 1 99 TRP HD1 1 126 PRO QD . . 4.270 2.364 2.129 2.769 . 0 0 "[ . 1 . 2]" 1
1401 1 99 TRP HE1 1 121 VAL QG . . 4.120 3.960 3.459 4.121 0.001 5 0 "[ . 1 . 2]" 1
1402 1 99 TRP HE1 1 124 ARG H . . 4.620 4.393 4.019 4.629 0.009 1 0 "[ . 1 . 2]" 1
1403 1 99 TRP HE1 1 124 ARG HA . . 4.070 4.076 3.900 4.123 0.053 9 0 "[ . 1 . 2]" 1
1404 1 99 TRP HE1 1 124 ARG HB2 . . 4.580 3.370 2.775 4.442 . 0 0 "[ . 1 . 2]" 1
1405 1 99 TRP HE1 1 124 ARG QB . . 3.790 2.477 2.171 2.777 . 0 0 "[ . 1 . 2]" 1
1406 1 99 TRP HE1 1 124 ARG HB3 . . 4.580 2.586 2.182 2.889 . 0 0 "[ . 1 . 2]" 1
1407 1 99 TRP HE1 1 125 CYS H . . 4.670 3.247 2.556 3.689 . 0 0 "[ . 1 . 2]" 1
1408 1 99 TRP HE1 1 125 CYS HA . . 3.470 2.459 2.158 3.001 . 0 0 "[ . 1 . 2]" 1
1409 1 99 TRP HE1 1 126 PRO HD2 . . 3.940 3.823 3.620 3.988 0.048 15 0 "[ . 1 . 2]" 1
1410 1 99 TRP HE1 1 126 PRO QD . . 3.420 2.544 2.174 2.867 . 0 0 "[ . 1 . 2]" 1
1411 1 99 TRP HE1 1 126 PRO HD3 . . 3.940 2.585 2.189 2.939 . 0 0 "[ . 1 . 2]" 1
1412 1 99 TRP HE1 1 126 PRO QG . . 4.960 4.462 4.029 4.763 . 0 0 "[ . 1 . 2]" 1
1413 1 99 TRP HE1 1 127 ALA H . . 5.500 5.470 5.318 5.532 0.032 18 0 "[ . 1 . 2]" 1
1414 1 99 TRP HE3 1 121 VAL HB . . 4.650 2.793 2.655 3.084 . 0 0 "[ . 1 . 2]" 1
1415 1 99 TRP HE3 1 121 VAL QG . . 4.100 2.937 2.724 3.074 . 0 0 "[ . 1 . 2]" 1
1416 1 99 TRP HH2 1 124 ARG QB . . 4.680 4.072 3.819 4.343 . 0 0 "[ . 1 . 2]" 1
1417 1 99 TRP HH2 1 124 ARG QG . . 5.340 4.381 3.407 5.343 0.003 1 0 "[ . 1 . 2]" 1
1418 1 99 TRP HZ2 1 121 VAL QG . . 4.360 3.091 2.831 3.320 . 0 0 "[ . 1 . 2]" 1
1419 1 99 TRP HZ2 1 124 ARG HA . . 4.960 4.762 4.464 4.964 0.004 10 0 "[ . 1 . 2]" 1
1420 1 99 TRP HZ2 1 124 ARG HB2 . . 4.420 3.393 2.965 4.007 . 0 0 "[ . 1 . 2]" 1
1421 1 99 TRP HZ2 1 124 ARG HB3 . . 4.420 2.341 2.031 2.757 . 0 0 "[ . 1 . 2]" 1
1422 1 99 TRP HZ2 1 125 CYS H . . 5.320 4.484 3.688 4.871 . 0 0 "[ . 1 . 2]" 1
1423 1 99 TRP HZ3 1 121 VAL QG . . 4.370 2.253 2.083 2.470 . 0 0 "[ . 1 . 2]" 1
1424 1 100 LEU H 1 100 LEU QB . . 3.330 2.572 2.480 2.684 . 0 0 "[ . 1 . 2]" 1
1425 1 100 LEU H 1 100 LEU QD . . 3.390 3.212 2.939 3.371 . 0 0 "[ . 1 . 2]" 1
1426 1 100 LEU H 1 100 LEU HG . . 3.540 2.727 2.429 2.882 . 0 0 "[ . 1 . 2]" 1
1427 1 100 LEU H 1 101 GLN H . . 4.540 4.399 4.341 4.455 . 0 0 "[ . 1 . 2]" 1
1428 1 100 LEU H 1 121 VAL H . . 4.450 4.334 4.131 4.455 0.005 13 0 "[ . 1 . 2]" 1
1429 1 100 LEU H 1 121 VAL HB . . 4.220 4.059 3.692 4.208 . 0 0 "[ . 1 . 2]" 1
1430 1 100 LEU H 1 121 VAL MG1 . . 5.500 4.227 3.952 4.467 . 0 0 "[ . 1 . 2]" 1
1431 1 100 LEU H 1 121 VAL QG . . 4.320 4.076 3.843 4.268 . 0 0 "[ . 1 . 2]" 1
1432 1 100 LEU H 1 121 VAL MG2 . . 5.500 5.362 5.060 5.485 . 0 0 "[ . 1 . 2]" 1
1433 1 100 LEU H 1 122 MET HA . . 4.340 2.862 2.518 3.183 . 0 0 "[ . 1 . 2]" 1
1434 1 100 LEU H 1 122 MET QB . . 5.340 4.370 4.034 4.881 . 0 0 "[ . 1 . 2]" 1
1435 1 100 LEU H 1 123 ASP H . . 5.060 4.868 4.563 5.063 0.003 16 0 "[ . 1 . 2]" 1
1436 1 100 LEU H 1 124 ARG H . . 5.100 4.295 4.139 4.517 . 0 0 "[ . 1 . 2]" 1
1437 1 100 LEU HA 1 101 GLN H . . 3.160 2.679 2.579 2.749 . 0 0 "[ . 1 . 2]" 1
1438 1 100 LEU QB 1 101 GLN H . . 4.020 1.949 1.911 2.047 . 0 0 "[ . 1 . 2]" 1
1439 1 100 LEU QB 1 122 MET HA . . 3.650 2.045 1.982 2.336 . 0 0 "[ . 1 . 2]" 1
1440 1 100 LEU HB2 1 122 MET HA . . 4.480 2.054 1.990 2.350 . 0 0 "[ . 1 . 2]" 1
1441 1 100 LEU HB3 1 122 MET HA . . 4.480 3.774 3.636 4.083 . 0 0 "[ . 1 . 2]" 1
1442 1 100 LEU QD 1 101 GLN H . . 3.760 3.317 3.145 3.450 . 0 0 "[ . 1 . 2]" 1
1443 1 100 LEU QD 1 106 ASN QB . . 4.180 2.659 2.012 3.180 . 0 0 "[ . 1 . 2]" 1
1444 1 100 LEU QD 1 109 ALA H . . 5.060 4.963 4.622 5.066 0.006 16 0 "[ . 1 . 2]" 1
1445 1 100 LEU QD 1 122 MET HA . . 3.910 2.934 2.593 3.119 . 0 0 "[ . 1 . 2]" 1
1446 1 100 LEU QD 1 123 ASP H . . 4.270 3.669 3.437 4.021 . 0 0 "[ . 1 . 2]" 1
1447 1 100 LEU HG 1 122 MET QB . . 4.320 3.112 2.717 4.119 . 0 0 "[ . 1 . 2]" 1
1448 1 101 GLN H 1 101 GLN HB2 . . 3.990 2.424 2.174 2.745 . 0 0 "[ . 1 . 2]" 1
1449 1 101 GLN H 1 101 GLN QB . . 3.400 2.254 2.153 2.322 . 0 0 "[ . 1 . 2]" 1
1450 1 101 GLN H 1 101 GLN HB3 . . 3.990 2.969 2.478 3.572 . 0 0 "[ . 1 . 2]" 1
1451 1 101 GLN H 1 101 GLN HE21 . . 4.890 4.696 4.405 4.888 . 0 0 "[ . 1 . 2]" 1
1452 1 101 GLN H 1 102 LEU H . . 4.650 4.584 4.481 4.613 . 0 0 "[ . 1 . 2]" 1
1453 1 101 GLN H 1 102 LEU HA . . 5.500 5.461 5.370 5.528 0.028 19 0 "[ . 1 . 2]" 1
1454 1 101 GLN H 1 104 VAL H . . 5.410 5.155 4.854 5.412 0.002 17 0 "[ . 1 . 2]" 1
1455 1 101 GLN H 1 104 VAL HB . . 4.340 3.790 2.843 4.355 0.015 11 0 "[ . 1 . 2]" 1
1456 1 101 GLN H 1 104 VAL QG . . 3.940 2.983 2.136 3.949 0.009 1 0 "[ . 1 . 2]" 1
1457 1 101 GLN H 1 122 MET HA . . 5.170 4.874 4.598 5.173 0.003 6 0 "[ . 1 . 2]" 1
1458 1 101 GLN H 1 123 ASP H . . 5.280 4.800 4.407 5.273 . 0 0 "[ . 1 . 2]" 1
1459 1 101 GLN HA 1 102 LEU H . . 3.480 2.272 2.148 2.469 . 0 0 "[ . 1 . 2]" 1
1460 1 101 GLN QB 1 101 GLN HE21 . . 3.900 3.214 2.714 3.448 . 0 0 "[ . 1 . 2]" 1
1461 1 101 GLN QB 1 101 GLN HE22 . . 4.680 3.821 3.477 4.047 . 0 0 "[ . 1 . 2]" 1
1462 1 101 GLN QB 1 102 LEU H . . 4.130 3.189 2.338 3.770 . 0 0 "[ . 1 . 2]" 1
1463 1 101 GLN QB 1 104 VAL H . . 4.890 4.253 3.750 4.890 0.000 4 0 "[ . 1 . 2]" 1
1464 1 101 GLN HB2 1 101 GLN HE21 . . 4.450 3.683 3.167 4.205 . 0 0 "[ . 1 . 2]" 1
1465 1 101 GLN HB3 1 101 GLN HE21 . . 4.450 3.749 2.766 4.079 . 0 0 "[ . 1 . 2]" 1
1466 1 101 GLN HE21 1 102 LEU H . . 3.820 2.561 1.902 3.221 . 0 0 "[ . 1 . 2]" 1
1467 1 101 GLN HE21 1 102 LEU QB . . 4.700 3.968 3.204 4.706 0.006 13 0 "[ . 1 . 2]" 1
1468 1 101 GLN HE21 1 125 CYS HA . . 5.040 4.454 3.448 5.076 0.036 19 0 "[ . 1 . 2]" 1
1469 1 101 GLN HE22 1 102 LEU H . . 4.170 3.826 3.504 4.176 0.006 12 0 "[ . 1 . 2]" 1
1470 1 102 LEU H 1 102 LEU HB2 . . 3.620 2.379 2.051 2.726 . 0 0 "[ . 1 . 2]" 1
1471 1 102 LEU H 1 102 LEU QB . . 3.050 2.154 2.032 2.254 . 0 0 "[ . 1 . 2]" 1
1472 1 102 LEU H 1 102 LEU HB3 . . 3.620 2.836 2.356 3.496 . 0 0 "[ . 1 . 2]" 1
1473 1 102 LEU H 1 102 LEU MD1 . . 4.360 4.005 3.120 4.315 . 0 0 "[ . 1 . 2]" 1
1474 1 102 LEU H 1 102 LEU QD . . 3.800 3.597 3.038 3.742 . 0 0 "[ . 1 . 2]" 1
1475 1 102 LEU H 1 102 LEU MD2 . . 4.360 4.131 3.862 4.342 . 0 0 "[ . 1 . 2]" 1
1476 1 102 LEU H 1 102 LEU HG . . 4.560 4.050 2.891 4.499 . 0 0 "[ . 1 . 2]" 1
1477 1 102 LEU H 1 103 GLY H . . 4.770 4.560 4.439 4.623 . 0 0 "[ . 1 . 2]" 1
1478 1 102 LEU H 1 124 ARG H . . 4.840 4.452 4.163 4.826 . 0 0 "[ . 1 . 2]" 1
1479 1 102 LEU H 1 125 CYS H . . 5.500 4.974 4.280 5.508 0.008 5 0 "[ . 1 . 2]" 1
1480 1 102 LEU H 1 125 CYS HA . . 4.750 4.262 3.450 4.743 . 0 0 "[ . 1 . 2]" 1
1481 1 102 LEU H 1 125 CYS QB . . 4.580 2.667 1.924 3.915 . 0 0 "[ . 1 . 2]" 1
1482 1 102 LEU H 1 126 PRO QD . . 5.350 5.138 4.397 5.369 0.019 15 0 "[ . 1 . 2]" 1
1483 1 102 LEU HA 1 102 LEU QD . . 3.350 2.424 1.960 2.823 . 0 0 "[ . 1 . 2]" 1
1484 1 102 LEU HA 1 103 GLY H . . 2.900 2.178 2.144 2.226 . 0 0 "[ . 1 . 2]" 1
1485 1 102 LEU HA 1 103 GLY QA . . 4.460 3.943 3.902 3.976 . 0 0 "[ . 1 . 2]" 1
1486 1 102 LEU HA 1 123 ASP H . . 4.110 3.922 3.734 4.110 0.000 10 0 "[ . 1 . 2]" 1
1487 1 102 LEU HA 1 123 ASP HA . . 3.780 2.520 2.215 3.076 . 0 0 "[ . 1 . 2]" 1
1488 1 102 LEU QB 1 103 GLY H . . 3.900 3.527 3.046 3.876 . 0 0 "[ . 1 . 2]" 1
1489 1 102 LEU HB2 1 103 GLY H . . 4.510 4.265 4.044 4.521 0.011 10 0 "[ . 1 . 2]" 1
1490 1 102 LEU HB3 1 103 GLY H . . 4.510 3.829 3.119 4.358 . 0 0 "[ . 1 . 2]" 1
1491 1 102 LEU QD 1 103 GLY H . . 3.500 2.886 2.219 3.523 0.023 9 0 "[ . 1 . 2]" 1
1492 1 102 LEU QD 1 123 ASP HA . . 4.130 3.412 2.567 3.882 . 0 0 "[ . 1 . 2]" 1
1493 1 102 LEU QD 1 124 ARG H . . 3.960 3.529 2.969 3.861 . 0 0 "[ . 1 . 2]" 1
1494 1 102 LEU QD 1 124 ARG HA . . 3.410 2.101 1.849 2.629 . 0 0 "[ . 1 . 2]" 1
1495 1 102 LEU QD 1 125 CYS QB . . 3.290 2.413 1.875 3.134 . 0 0 "[ . 1 . 2]" 1
1496 1 102 LEU MD1 1 103 GLY H . . 4.750 3.890 3.032 4.761 0.011 6 0 "[ . 1 . 2]" 1
1497 1 102 LEU MD1 1 125 CYS H . . 3.820 2.421 1.910 3.391 . 0 0 "[ . 1 . 2]" 1
1498 1 102 LEU MD1 1 125 CYS HB2 . . 4.680 3.019 1.910 4.694 0.014 9 0 "[ . 1 . 2]" 1
1499 1 102 LEU MD1 1 125 CYS HB3 . . 4.680 3.061 1.996 4.178 . 0 0 "[ . 1 . 2]" 1
1500 1 102 LEU MD2 1 103 GLY H . . 4.750 3.477 2.223 4.542 . 0 0 "[ . 1 . 2]" 1
1501 1 102 LEU MD2 1 125 CYS H . . 3.820 3.753 2.761 3.881 0.061 11 0 "[ . 1 . 2]" 1
1502 1 102 LEU MD2 1 125 CYS HB2 . . 4.680 3.714 2.888 4.544 . 0 0 "[ . 1 . 2]" 1
1503 1 102 LEU MD2 1 125 CYS HB3 . . 4.680 3.936 3.297 4.708 0.028 5 0 "[ . 1 . 2]" 1
1504 1 102 LEU HG 1 124 ARG HA . . 4.020 3.466 2.151 4.093 0.073 19 0 "[ . 1 . 2]" 1
1505 1 102 LEU HG 1 125 CYS H . . 4.880 3.923 2.374 4.811 . 0 0 "[ . 1 . 2]" 1
1506 1 102 LEU HG 1 125 CYS QB . . 4.600 3.534 1.981 4.614 0.014 11 0 "[ . 1 . 2]" 1
1507 1 103 GLY H 1 104 VAL H . . 3.350 2.448 2.026 2.679 . 0 0 "[ . 1 . 2]" 1
1508 1 103 GLY H 1 104 VAL QG . . 4.370 4.009 3.565 4.329 . 0 0 "[ . 1 . 2]" 1
1509 1 103 GLY H 1 123 ASP H . . 4.270 4.051 3.677 4.272 0.002 5 0 "[ . 1 . 2]" 1
1510 1 103 GLY H 1 123 ASP HA . . 3.590 1.987 1.920 2.222 . 0 0 "[ . 1 . 2]" 1
1511 1 103 GLY H 1 123 ASP HB2 . . 5.000 3.975 2.699 4.504 . 0 0 "[ . 1 . 2]" 1
1512 1 103 GLY H 1 123 ASP QB . . 4.230 3.668 2.630 4.083 . 0 0 "[ . 1 . 2]" 1
1513 1 103 GLY H 1 123 ASP HB3 . . 5.000 4.338 3.632 4.790 . 0 0 "[ . 1 . 2]" 1
1514 1 103 GLY H 1 124 ARG H . . 4.710 4.135 3.801 4.538 . 0 0 "[ . 1 . 2]" 1
1515 1 104 VAL H 1 104 VAL HB . . 3.230 2.750 2.608 3.022 . 0 0 "[ . 1 . 2]" 1
1516 1 104 VAL H 1 104 VAL QG . . 2.760 2.343 2.077 2.727 . 0 0 "[ . 1 . 2]" 1
1517 1 104 VAL H 1 105 ILE H . . 4.560 4.446 4.006 4.582 0.022 11 0 "[ . 1 . 2]" 1
1518 1 104 VAL H 1 105 ILE QG . . 4.660 4.132 3.671 4.626 . 0 0 "[ . 1 . 2]" 1
1519 1 104 VAL H 1 123 ASP H . . 4.470 3.379 2.945 3.812 . 0 0 "[ . 1 . 2]" 1
1520 1 104 VAL H 1 123 ASP HA . . 3.870 2.619 2.331 3.019 . 0 0 "[ . 1 . 2]" 1
1521 1 104 VAL H 1 123 ASP QB . . 4.400 4.055 3.387 4.403 0.003 7 0 "[ . 1 . 2]" 1
1522 1 104 VAL HA 1 104 VAL QG . . 3.240 2.131 2.039 2.231 . 0 0 "[ . 1 . 2]" 1
1523 1 104 VAL HA 1 105 ILE H . . 2.730 2.233 2.142 2.303 . 0 0 "[ . 1 . 2]" 1
1524 1 104 VAL HA 1 105 ILE MD . . 4.940 4.457 2.843 4.938 . 0 0 "[ . 1 . 2]" 1
1525 1 104 VAL HB 1 105 ILE H . . 4.410 4.017 3.677 4.390 . 0 0 "[ . 1 . 2]" 1
1526 1 104 VAL QG 1 105 ILE H . . 3.030 2.261 1.917 3.016 . 0 0 "[ . 1 . 2]" 1
1527 1 104 VAL QG 1 123 ASP H . . 4.510 3.322 1.915 4.515 0.005 15 0 "[ . 1 . 2]" 1
1528 1 105 ILE H 1 105 ILE HB . . 3.330 2.772 2.529 2.912 . 0 0 "[ . 1 . 2]" 1
1529 1 105 ILE H 1 105 ILE MD . . 4.200 3.815 2.532 4.204 0.004 20 0 "[ . 1 . 2]" 1
1530 1 105 ILE H 1 105 ILE QG . . 3.780 2.982 2.528 3.556 . 0 0 "[ . 1 . 2]" 1
1531 1 105 ILE H 1 106 ASN H . . 4.450 4.076 3.836 4.372 . 0 0 "[ . 1 . 2]" 1
1532 1 105 ILE HA 1 105 ILE MG . . 3.400 2.338 2.305 2.381 . 0 0 "[ . 1 . 2]" 1
1533 1 105 ILE HA 1 106 ASN H . . 2.710 2.158 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
1534 1 105 ILE HA 1 122 MET QB . . 3.740 3.049 2.043 3.627 . 0 0 "[ . 1 . 2]" 1
1535 1 105 ILE HA 1 122 MET QG . . 4.380 2.763 2.071 4.383 0.003 8 0 "[ . 1 . 2]" 1
1536 1 105 ILE HB 1 105 ILE MD . . 3.390 2.379 2.039 3.230 . 0 0 "[ . 1 . 2]" 1
1537 1 105 ILE HB 1 106 ASN H . . 4.580 4.318 4.040 4.419 . 0 0 "[ . 1 . 2]" 1
1538 1 105 ILE MD 1 123 ASP QB . . 4.770 3.459 1.884 4.204 . 0 0 "[ . 1 . 2]" 1
1539 1 105 ILE QG 1 106 ASN H . . 4.780 4.301 4.089 4.715 . 0 0 "[ . 1 . 2]" 1
1540 1 105 ILE QG 1 123 ASP H . . 4.570 4.351 3.354 4.588 0.018 9 0 "[ . 1 . 2]" 1
1541 1 105 ILE QG 1 123 ASP QB . . 4.140 2.758 2.020 3.626 . 0 0 "[ . 1 . 2]" 1
1542 1 105 ILE MG 1 106 ASN H . . 3.030 2.847 2.240 3.034 0.004 10 0 "[ . 1 . 2]" 1
1543 1 105 ILE MG 1 106 ASN HA . . 3.800 3.739 3.561 3.802 0.002 11 0 "[ . 1 . 2]" 1
1544 1 105 ILE MG 1 107 GLU H . . 4.440 3.223 2.941 3.626 . 0 0 "[ . 1 . 2]" 1
1545 1 105 ILE MG 1 107 GLU HA . . 4.580 3.909 3.549 4.304 . 0 0 "[ . 1 . 2]" 1
1546 1 105 ILE MG 1 107 GLU QB . . 3.780 3.596 3.206 3.786 0.006 10 0 "[ . 1 . 2]" 1
1547 1 106 ASN H 1 106 ASN QB . . 3.410 2.448 2.318 2.582 . 0 0 "[ . 1 . 2]" 1
1548 1 106 ASN H 1 107 GLU H . . 4.230 3.875 3.712 4.094 . 0 0 "[ . 1 . 2]" 1
1549 1 106 ASN H 1 107 GLU HA . . 4.830 4.684 4.510 4.832 0.002 15 0 "[ . 1 . 2]" 1
1550 1 106 ASN H 1 109 ALA MB . . 5.130 4.220 3.792 4.974 . 0 0 "[ . 1 . 2]" 1
1551 1 106 ASN H 1 122 MET QB . . 3.760 3.239 2.560 3.590 . 0 0 "[ . 1 . 2]" 1
1552 1 106 ASN H 1 122 MET QG . . 4.310 3.342 1.950 4.194 . 0 0 "[ . 1 . 2]" 1
1553 1 106 ASN QB 1 106 ASN HD22 . . 3.570 3.230 3.213 3.322 . 0 0 "[ . 1 . 2]" 1
1554 1 106 ASN QB 1 107 GLU H . . 4.280 3.848 3.638 3.997 . 0 0 "[ . 1 . 2]" 1
1555 1 106 ASN QB 1 107 GLU HA . . 5.040 4.737 4.573 4.898 . 0 0 "[ . 1 . 2]" 1
1556 1 106 ASN QB 1 108 GLN H . . 4.710 3.813 3.255 4.460 . 0 0 "[ . 1 . 2]" 1
1557 1 106 ASN QB 1 109 ALA H . . 3.700 2.456 2.018 2.994 . 0 0 "[ . 1 . 2]" 1
1558 1 106 ASN QB 1 109 ALA MB . . 3.420 1.974 1.776 2.262 . 0 0 "[ . 1 . 2]" 1
1559 1 106 ASN QB 1 110 ALA H . . 4.060 3.592 3.243 3.831 . 0 0 "[ . 1 . 2]" 1
1560 1 107 GLU H 1 107 GLU QB . . 3.250 2.267 2.114 2.567 . 0 0 "[ . 1 . 2]" 1
1561 1 107 GLU H 1 108 GLN H . . 3.710 2.748 2.548 2.882 . 0 0 "[ . 1 . 2]" 1
1562 1 107 GLU H 1 108 GLN HB2 . . 4.730 4.571 4.353 4.711 . 0 0 "[ . 1 . 2]" 1
1563 1 107 GLU H 1 109 ALA H . . 4.740 4.412 4.234 4.592 . 0 0 "[ . 1 . 2]" 1
1564 1 107 GLU H 1 109 ALA MB . . 5.350 5.137 4.952 5.350 . 0 0 "[ . 1 . 2]" 1
1565 1 107 GLU H 1 110 ALA MB . . 4.610 4.495 4.276 4.611 0.001 4 0 "[ . 1 . 2]" 1
1566 1 107 GLU HA 1 110 ALA H . . 3.870 3.491 3.291 3.767 . 0 0 "[ . 1 . 2]" 1
1567 1 107 GLU QB 1 108 GLN H . . 3.210 2.761 2.407 3.228 0.018 10 0 "[ . 1 . 2]" 1
1568 1 108 GLN H 1 108 GLN HB2 . . 2.990 2.077 2.062 2.108 . 0 0 "[ . 1 . 2]" 1
1569 1 108 GLN H 1 108 GLN HB3 . . 3.380 3.265 3.110 3.414 0.034 16 0 "[ . 1 . 2]" 1
1570 1 108 GLN H 1 108 GLN QG . . 3.880 3.633 3.077 3.886 0.006 18 0 "[ . 1 . 2]" 1
1571 1 108 GLN H 1 109 ALA H . . 2.900 2.708 2.589 2.851 . 0 0 "[ . 1 . 2]" 1
1572 1 108 GLN H 1 109 ALA MB . . 4.480 4.361 4.229 4.483 0.003 16 0 "[ . 1 . 2]" 1
1573 1 108 GLN H 1 110 ALA H . . 4.040 3.878 3.690 4.042 0.002 8 0 "[ . 1 . 2]" 1
1574 1 108 GLN H 1 110 ALA MB . . 4.750 4.549 4.331 4.725 . 0 0 "[ . 1 . 2]" 1
1575 1 108 GLN HA 1 108 GLN QE . . 4.310 3.422 1.938 4.312 0.002 14 0 "[ . 1 . 2]" 1
1576 1 108 GLN HA 1 108 GLN QG . . 3.330 2.215 2.093 2.444 . 0 0 "[ . 1 . 2]" 1
1577 1 108 GLN HA 1 110 ALA H . . 4.340 4.100 3.922 4.253 . 0 0 "[ . 1 . 2]" 1
1578 1 108 GLN HA 1 111 VAL HB . . 4.520 3.544 3.004 4.521 0.001 19 0 "[ . 1 . 2]" 1
1579 1 108 GLN HA 1 111 VAL QG . . 3.540 2.514 2.210 2.828 . 0 0 "[ . 1 . 2]" 1
1580 1 108 GLN HA 1 112 LEU H . . 4.360 4.223 4.037 4.365 0.005 15 0 "[ . 1 . 2]" 1
1581 1 108 GLN HB2 1 109 ALA H . . 3.390 3.052 2.879 3.233 . 0 0 "[ . 1 . 2]" 1
1582 1 108 GLN HB3 1 109 ALA H . . 3.600 2.756 2.469 3.085 . 0 0 "[ . 1 . 2]" 1
1583 1 108 GLN HB3 1 109 ALA MB . . 4.370 3.914 3.798 4.120 . 0 0 "[ . 1 . 2]" 1
1584 1 109 ALA H 1 109 ALA MB . . 2.820 2.189 2.121 2.247 . 0 0 "[ . 1 . 2]" 1
1585 1 109 ALA H 1 110 ALA H . . 3.020 2.609 2.512 2.720 . 0 0 "[ . 1 . 2]" 1
1586 1 109 ALA H 1 110 ALA MB . . 4.290 4.211 4.101 4.301 0.011 9 0 "[ . 1 . 2]" 1
1587 1 109 ALA H 1 111 VAL QG . . 4.760 4.725 4.598 4.776 0.016 16 0 "[ . 1 . 2]" 1
1588 1 109 ALA H 1 112 LEU QD . . 5.440 5.122 4.712 5.445 0.005 16 0 "[ . 1 . 2]" 1
1589 1 109 ALA HA 1 112 LEU H . . 4.220 3.567 3.390 3.784 . 0 0 "[ . 1 . 2]" 1
1590 1 109 ALA HA 1 112 LEU QB . . 3.810 2.640 2.135 2.928 . 0 0 "[ . 1 . 2]" 1
1591 1 109 ALA HA 1 112 LEU QD . . 4.200 3.007 2.411 3.389 . 0 0 "[ . 1 . 2]" 1
1592 1 109 ALA MB 1 110 ALA H . . 3.100 2.829 2.679 2.912 . 0 0 "[ . 1 . 2]" 1
1593 1 109 ALA MB 1 120 VAL QG . . 3.940 3.352 3.094 3.714 . 0 0 "[ . 1 . 2]" 1
1594 1 110 ALA H 1 110 ALA MB . . 2.670 2.090 2.034 2.250 . 0 0 "[ . 1 . 2]" 1
1595 1 110 ALA H 1 111 VAL H . . 3.370 2.562 2.447 2.733 . 0 0 "[ . 1 . 2]" 1
1596 1 110 ALA H 1 111 VAL HA . . 5.380 5.190 5.093 5.326 . 0 0 "[ . 1 . 2]" 1
1597 1 110 ALA H 1 111 VAL QG . . 4.270 3.887 3.754 4.119 . 0 0 "[ . 1 . 2]" 1
1598 1 110 ALA H 1 112 LEU H . . 4.370 4.028 3.755 4.242 . 0 0 "[ . 1 . 2]" 1
1599 1 110 ALA H 1 120 VAL MG1 . . 4.890 4.589 4.023 4.892 0.002 12 0 "[ . 1 . 2]" 1
1600 1 110 ALA H 1 120 VAL QG . . 3.930 3.824 3.661 3.931 0.001 11 0 "[ . 1 . 2]" 1
1601 1 110 ALA H 1 120 VAL MG2 . . 4.890 4.161 3.879 4.788 . 0 0 "[ . 1 . 2]" 1
1602 1 110 ALA HA 1 120 VAL HB . . 4.550 3.467 2.543 4.214 . 0 0 "[ . 1 . 2]" 1
1603 1 110 ALA MB 1 111 VAL H . . 3.080 2.652 2.314 2.850 . 0 0 "[ . 1 . 2]" 1
1604 1 111 VAL H 1 111 VAL HB . . 3.350 2.557 2.362 2.683 . 0 0 "[ . 1 . 2]" 1
1605 1 111 VAL H 1 111 VAL MG1 . . 3.780 3.356 2.340 3.784 0.004 18 0 "[ . 1 . 2]" 1
1606 1 111 VAL H 1 111 VAL QG . . 2.740 2.234 2.068 2.377 . 0 0 "[ . 1 . 2]" 1
1607 1 111 VAL H 1 111 VAL MG2 . . 3.780 2.655 2.078 3.743 . 0 0 "[ . 1 . 2]" 1
1608 1 111 VAL H 1 112 LEU H . . 3.150 2.582 2.457 2.816 . 0 0 "[ . 1 . 2]" 1
1609 1 111 VAL H 1 112 LEU QB . . 4.630 4.251 4.162 4.417 . 0 0 "[ . 1 . 2]" 1
1610 1 111 VAL H 1 114 ARG HB2 . . 4.940 4.769 4.390 4.946 0.006 19 0 "[ . 1 . 2]" 1
1611 1 111 VAL HA 1 111 VAL MG1 . . 3.290 2.577 2.215 3.182 . 0 0 "[ . 1 . 2]" 1
1612 1 111 VAL HA 1 111 VAL MG2 . . 3.290 2.310 2.072 2.417 . 0 0 "[ . 1 . 2]" 1
1613 1 111 VAL HA 1 114 ARG H . . 3.780 3.198 2.915 3.428 . 0 0 "[ . 1 . 2]" 1
1614 1 111 VAL HA 1 114 ARG HB2 . . 4.270 2.484 2.091 3.155 . 0 0 "[ . 1 . 2]" 1
1615 1 111 VAL HA 1 114 ARG QD . . 5.090 3.868 2.285 5.087 . 0 0 "[ . 1 . 2]" 1
1616 1 111 VAL HA 1 115 GLU H . . 4.220 4.094 3.490 4.228 0.008 9 0 "[ . 1 . 2]" 1
1617 1 111 VAL HB 1 112 LEU H . . 3.670 2.919 2.382 3.807 0.137 14 0 "[ . 1 . 2]" 1
1618 1 111 VAL HB 1 113 ALA H . . 5.500 5.267 4.756 5.518 0.018 19 0 "[ . 1 . 2]" 1
1619 1 111 VAL QG 1 112 LEU H . . 4.280 2.881 2.030 3.294 . 0 0 "[ . 1 . 2]" 1
1620 1 111 VAL QG 1 115 GLU H . . 4.610 3.741 3.501 4.026 . 0 0 "[ . 1 . 2]" 1
1621 1 111 VAL QG 1 115 GLU QG . . 3.600 2.637 2.137 3.610 0.010 16 0 "[ . 1 . 2]" 1
1622 1 112 LEU H 1 112 LEU QB . . 2.810 2.157 2.025 2.225 . 0 0 "[ . 1 . 2]" 1
1623 1 112 LEU H 1 112 LEU MD1 . . 4.340 4.003 3.775 4.205 . 0 0 "[ . 1 . 2]" 1
1624 1 112 LEU H 1 112 LEU MD2 . . 4.340 4.173 4.137 4.235 . 0 0 "[ . 1 . 2]" 1
1625 1 112 LEU H 1 112 LEU HG . . 4.770 4.147 3.383 4.567 . 0 0 "[ . 1 . 2]" 1
1626 1 112 LEU H 1 113 ALA H . . 3.190 2.838 2.715 2.994 . 0 0 "[ . 1 . 2]" 1
1627 1 112 LEU H 1 113 ALA MB . . 5.240 4.451 4.335 4.570 . 0 0 "[ . 1 . 2]" 1
1628 1 112 LEU H 1 114 ARG H . . 4.440 4.074 3.866 4.432 . 0 0 "[ . 1 . 2]" 1
1629 1 112 LEU HA 1 112 LEU MD1 . . 4.030 2.703 2.053 3.773 . 0 0 "[ . 1 . 2]" 1
1630 1 112 LEU HA 1 112 LEU QD . . 3.060 2.234 2.045 2.398 . 0 0 "[ . 1 . 2]" 1
1631 1 112 LEU HA 1 112 LEU MD2 . . 4.030 3.407 2.206 3.959 . 0 0 "[ . 1 . 2]" 1
1632 1 112 LEU HA 1 112 LEU HG . . 3.780 3.025 2.428 3.319 . 0 0 "[ . 1 . 2]" 1
1633 1 112 LEU QB 1 113 ALA H . . 3.250 2.584 2.100 2.918 . 0 0 "[ . 1 . 2]" 1
1634 1 112 LEU MD1 1 113 ALA H . . 4.460 4.423 4.307 4.462 0.002 11 0 "[ . 1 . 2]" 1
1635 1 112 LEU MD2 1 113 ALA H . . 4.460 4.298 3.946 4.463 0.003 12 0 "[ . 1 . 2]" 1
1636 1 113 ALA H 1 113 ALA MB . . 2.690 2.123 2.040 2.227 . 0 0 "[ . 1 . 2]" 1
1637 1 113 ALA H 1 114 ARG H . . 3.240 2.478 2.300 2.644 . 0 0 "[ . 1 . 2]" 1
1638 1 113 ALA H 1 114 ARG HB2 . . 4.540 4.388 4.118 4.546 0.006 9 0 "[ . 1 . 2]" 1
1639 1 113 ALA H 1 115 GLU H . . 4.260 4.055 3.866 4.257 . 0 0 "[ . 1 . 2]" 1
1640 1 113 ALA H 1 115 GLU QB . . 5.340 5.005 4.740 5.350 0.010 16 0 "[ . 1 . 2]" 1
1641 1 113 ALA H 1 118 LEU HB3 . . 5.400 5.298 5.093 5.404 0.004 19 0 "[ . 1 . 2]" 1
1642 1 113 ALA H 1 120 VAL QG . . 4.120 3.655 3.351 4.055 . 0 0 "[ . 1 . 2]" 1
1643 1 113 ALA HA 1 114 ARG H . . 3.540 3.510 3.478 3.562 0.022 16 0 "[ . 1 . 2]" 1
1644 1 113 ALA HA 1 115 GLU H . . 4.910 4.151 3.947 4.425 . 0 0 "[ . 1 . 2]" 1
1645 1 113 ALA HA 1 117 GLY H . . 4.660 4.231 4.014 4.434 . 0 0 "[ . 1 . 2]" 1
1646 1 113 ALA MB 1 114 ARG H . . 3.170 2.776 2.512 2.894 . 0 0 "[ . 1 . 2]" 1
1647 1 113 ALA MB 1 114 ARG HB2 . . 4.960 4.216 3.995 4.453 . 0 0 "[ . 1 . 2]" 1
1648 1 113 ALA MB 1 118 LEU H . . 4.070 3.683 3.008 3.909 . 0 0 "[ . 1 . 2]" 1
1649 1 113 ALA MB 1 118 LEU QD . . 3.710 2.666 1.967 3.576 . 0 0 "[ . 1 . 2]" 1
1650 1 113 ALA MB 1 119 SER H . . 4.590 4.424 4.140 4.590 . 0 0 "[ . 1 . 2]" 1
1651 1 113 ALA MB 1 120 VAL QG . . 3.170 2.225 1.762 2.678 . 0 0 "[ . 1 . 2]" 1
1652 1 114 ARG H 1 114 ARG HB2 . . 2.900 2.181 2.064 2.385 . 0 0 "[ . 1 . 2]" 1
1653 1 114 ARG H 1 114 ARG HB3 . . 3.530 3.061 2.689 3.476 . 0 0 "[ . 1 . 2]" 1
1654 1 114 ARG H 1 114 ARG QD . . 4.770 4.303 3.640 4.728 . 0 0 "[ . 1 . 2]" 1
1655 1 114 ARG H 1 114 ARG QG . . 4.150 3.628 2.901 4.060 . 0 0 "[ . 1 . 2]" 1
1656 1 114 ARG H 1 115 GLU H . . 3.250 2.629 2.457 2.811 . 0 0 "[ . 1 . 2]" 1
1657 1 114 ARG H 1 116 ALA H . . 4.390 4.221 4.039 4.391 0.001 6 0 "[ . 1 . 2]" 1
1658 1 114 ARG H 1 117 GLY H . . 4.910 4.518 4.433 4.662 . 0 0 "[ . 1 . 2]" 1
1659 1 114 ARG H 1 120 VAL QG . . 3.700 3.537 3.196 3.706 0.006 16 0 "[ . 1 . 2]" 1
1660 1 114 ARG HA 1 114 ARG QG . . 3.630 2.298 2.086 2.739 . 0 0 "[ . 1 . 2]" 1
1661 1 114 ARG HA 1 117 GLY H . . 3.550 3.080 2.826 3.452 . 0 0 "[ . 1 . 2]" 1
1662 1 114 ARG HA 1 118 LEU H . . 4.510 4.235 3.250 4.512 0.002 5 0 "[ . 1 . 2]" 1
1663 1 114 ARG HB3 1 115 GLU H . . 3.350 2.959 2.575 3.344 . 0 0 "[ . 1 . 2]" 1
1664 1 114 ARG QD 1 115 GLU H . . 5.140 4.747 3.630 5.137 . 0 0 "[ . 1 . 2]" 1
1665 1 115 GLU H 1 115 GLU HB2 . . 3.640 2.346 2.183 3.587 . 0 0 "[ . 1 . 2]" 1
1666 1 115 GLU H 1 115 GLU QB . . 2.810 2.263 2.162 2.416 . 0 0 "[ . 1 . 2]" 1
1667 1 115 GLU H 1 115 GLU HB3 . . 3.640 3.485 2.456 3.579 . 0 0 "[ . 1 . 2]" 1
1668 1 115 GLU H 1 115 GLU QG . . 3.070 2.600 2.227 2.896 . 0 0 "[ . 1 . 2]" 1
1669 1 115 GLU H 1 116 ALA H . . 3.020 2.679 2.508 2.752 . 0 0 "[ . 1 . 2]" 1
1670 1 115 GLU H 1 116 ALA MB . . 4.530 4.376 4.220 4.473 . 0 0 "[ . 1 . 2]" 1
1671 1 115 GLU H 1 117 GLY H . . 4.120 3.834 3.709 3.979 . 0 0 "[ . 1 . 2]" 1
1672 1 115 GLU HA 1 115 GLU HG2 . . 3.720 2.651 2.226 3.751 0.031 16 0 "[ . 1 . 2]" 1
1673 1 115 GLU HA 1 115 GLU HG3 . . 3.720 3.430 2.781 3.737 0.017 16 0 "[ . 1 . 2]" 1
1674 1 115 GLU HA 1 117 GLY H . . 4.570 4.380 4.180 4.528 . 0 0 "[ . 1 . 2]" 1
1675 1 115 GLU QG 1 116 ALA H . . 4.770 4.234 2.449 4.480 . 0 0 "[ . 1 . 2]" 1
1676 1 116 ALA H 1 116 ALA MB . . 2.570 2.204 2.080 2.325 . 0 0 "[ . 1 . 2]" 1
1677 1 116 ALA H 1 117 GLY H . . 3.030 2.214 2.004 2.474 . 0 0 "[ . 1 . 2]" 1
1678 1 116 ALA H 1 117 GLY QA . . 4.760 4.216 4.045 4.421 . 0 0 "[ . 1 . 2]" 1
1679 1 116 ALA H 1 118 LEU H . . 3.860 3.680 3.506 3.863 0.003 9 0 "[ . 1 . 2]" 1
1680 1 116 ALA MB 1 117 GLY H . . 3.410 2.964 2.889 2.990 . 0 0 "[ . 1 . 2]" 1
1681 1 116 ALA MB 1 118 LEU H . . 3.250 2.688 2.428 3.255 0.005 19 0 "[ . 1 . 2]" 1
1682 1 117 GLY H 1 118 LEU H . . 3.040 2.313 2.150 2.403 . 0 0 "[ . 1 . 2]" 1
1683 1 117 GLY H 1 118 LEU HB2 . . 4.240 4.107 3.907 4.241 0.001 8 0 "[ . 1 . 2]" 1
1684 1 117 GLY H 1 118 LEU QD . . 5.310 4.781 4.339 4.979 . 0 0 "[ . 1 . 2]" 1
1685 1 118 LEU H 1 118 LEU HB2 . . 3.150 2.096 2.045 2.174 . 0 0 "[ . 1 . 2]" 1
1686 1 118 LEU H 1 118 LEU HB3 . . 3.670 3.082 3.008 3.291 . 0 0 "[ . 1 . 2]" 1
1687 1 118 LEU H 1 118 LEU MD1 . . 4.450 3.333 3.113 4.207 . 0 0 "[ . 1 . 2]" 1
1688 1 118 LEU H 1 118 LEU QD . . 3.200 3.098 2.639 3.208 0.008 19 0 "[ . 1 . 2]" 1
1689 1 118 LEU H 1 118 LEU MD2 . . 4.450 4.125 2.667 4.400 . 0 0 "[ . 1 . 2]" 1
1690 1 118 LEU H 1 118 LEU HG . . 4.460 4.419 4.250 4.461 0.001 6 0 "[ . 1 . 2]" 1
1691 1 118 LEU H 1 119 SER H . . 4.700 4.636 4.592 4.646 . 0 0 "[ . 1 . 2]" 1
1692 1 118 LEU HA 1 118 LEU MD1 . . 4.150 2.455 2.233 2.744 . 0 0 "[ . 1 . 2]" 1
1693 1 118 LEU HA 1 118 LEU QD . . 3.410 2.399 1.997 2.672 . 0 0 "[ . 1 . 2]" 1
1694 1 118 LEU HA 1 118 LEU MD2 . . 4.150 3.627 2.248 3.805 . 0 0 "[ . 1 . 2]" 1
1695 1 118 LEU HA 1 118 LEU HG . . 3.770 2.614 2.285 3.633 . 0 0 "[ . 1 . 2]" 1
1696 1 118 LEU HA 1 119 SER H . . 2.860 2.315 2.242 2.409 . 0 0 "[ . 1 . 2]" 1
1697 1 118 LEU HA 1 120 VAL H . . 5.500 5.468 5.394 5.504 0.004 5 0 "[ . 1 . 2]" 1
1698 1 118 LEU HB2 1 119 SER H . . 4.870 4.138 4.014 4.254 . 0 0 "[ . 1 . 2]" 1
1699 1 118 LEU HB3 1 119 SER H . . 3.460 3.250 2.887 3.461 0.001 20 0 "[ . 1 . 2]" 1
1700 1 118 LEU QD 1 119 SER H . . 3.420 3.092 1.852 3.359 . 0 0 "[ . 1 . 2]" 1
1701 1 118 LEU MD1 1 119 SER H . . 4.100 3.404 1.857 4.075 . 0 0 "[ . 1 . 2]" 1
1702 1 118 LEU MD2 1 119 SER H . . 4.100 3.709 3.454 4.029 . 0 0 "[ . 1 . 2]" 1
1703 1 118 LEU HG 1 119 SER H . . 4.170 2.521 2.076 4.193 0.023 18 0 "[ . 1 . 2]" 1
1704 1 119 SER H 1 119 SER HB2 . . 3.550 2.369 2.233 2.919 . 0 0 "[ . 1 . 2]" 1
1705 1 119 SER H 1 119 SER HB3 . . 3.550 3.250 2.491 3.550 0.000 4 0 "[ . 1 . 2]" 1
1706 1 119 SER H 1 120 VAL H . . 4.210 4.153 3.981 4.222 0.012 19 0 "[ . 1 . 2]" 1
1707 1 119 SER HA 1 120 VAL H . . 2.830 2.200 2.184 2.218 . 0 0 "[ . 1 . 2]" 1
1708 1 119 SER QB 1 120 VAL H . . 4.110 3.802 3.680 3.999 . 0 0 "[ . 1 . 2]" 1
1709 1 120 VAL H 1 120 VAL HB . . 3.270 2.800 2.497 2.906 . 0 0 "[ . 1 . 2]" 1
1710 1 120 VAL H 1 120 VAL MG1 . . 3.940 2.231 1.920 3.812 . 0 0 "[ . 1 . 2]" 1
1711 1 120 VAL H 1 120 VAL QG . . 3.190 2.011 1.914 2.488 . 0 0 "[ . 1 . 2]" 1
1712 1 120 VAL H 1 120 VAL MG2 . . 3.940 3.585 2.199 3.830 . 0 0 "[ . 1 . 2]" 1
1713 1 120 VAL HA 1 121 VAL H . . 2.980 2.171 2.143 2.228 . 0 0 "[ . 1 . 2]" 1
1714 1 120 VAL HB 1 121 VAL H . . 4.460 4.124 3.852 4.230 . 0 0 "[ . 1 . 2]" 1
1715 1 120 VAL QG 1 121 VAL H . . 3.160 2.387 2.014 2.731 . 0 0 "[ . 1 . 2]" 1
1716 1 120 VAL QG 1 122 MET H . . 4.020 3.521 3.364 3.814 . 0 0 "[ . 1 . 2]" 1
1717 1 120 VAL MG1 1 121 VAL H . . 4.110 3.716 2.019 4.092 . 0 0 "[ . 1 . 2]" 1
1718 1 120 VAL MG2 1 121 VAL H . . 4.110 2.682 2.224 4.009 . 0 0 "[ . 1 . 2]" 1
1719 1 121 VAL H 1 121 VAL HB . . 3.430 2.822 2.677 2.924 . 0 0 "[ . 1 . 2]" 1
1720 1 121 VAL H 1 121 VAL MG1 . . 4.090 3.929 3.870 3.967 . 0 0 "[ . 1 . 2]" 1
1721 1 121 VAL H 1 121 VAL QG . . 3.400 2.775 2.614 2.968 . 0 0 "[ . 1 . 2]" 1
1722 1 121 VAL H 1 121 VAL MG2 . . 4.090 2.838 2.656 3.070 . 0 0 "[ . 1 . 2]" 1
1723 1 121 VAL H 1 122 MET H . . 4.720 4.028 3.849 4.170 . 0 0 "[ . 1 . 2]" 1
1724 1 121 VAL H 1 122 MET HA . . 4.770 4.682 4.549 4.774 0.004 8 0 "[ . 1 . 2]" 1
1725 1 121 VAL HA 1 121 VAL MG1 . . 3.500 2.242 2.205 2.309 . 0 0 "[ . 1 . 2]" 1
1726 1 121 VAL HA 1 121 VAL MG2 . . 3.500 2.386 2.304 2.455 . 0 0 "[ . 1 . 2]" 1
1727 1 121 VAL HA 1 122 MET H . . 2.780 2.157 2.141 2.167 . 0 0 "[ . 1 . 2]" 1
1728 1 121 VAL QG 1 122 MET H . . 3.020 2.886 2.633 3.023 0.003 11 0 "[ . 1 . 2]" 1
1729 1 121 VAL QG 1 123 ASP H . . 5.360 5.199 5.057 5.272 . 0 0 "[ . 1 . 2]" 1
1730 1 121 VAL QG 1 124 ARG H . . 4.350 4.242 4.008 4.354 0.004 11 0 "[ . 1 . 2]" 1
1731 1 121 VAL QG 1 124 ARG HA . . 5.000 4.728 4.436 4.933 . 0 0 "[ . 1 . 2]" 1
1732 1 121 VAL QG 1 124 ARG QB . . 3.610 2.222 1.938 2.384 . 0 0 "[ . 1 . 2]" 1
1733 1 121 VAL QG 1 124 ARG QD . . 4.220 3.510 2.281 4.229 0.009 9 0 "[ . 1 . 2]" 1
1734 1 121 VAL QG 1 124 ARG QG . . 3.550 2.711 1.979 3.540 . 0 0 "[ . 1 . 2]" 1
1735 1 121 VAL MG1 1 122 MET H . . 4.380 2.940 2.663 3.095 . 0 0 "[ . 1 . 2]" 1
1736 1 121 VAL MG2 1 122 MET H . . 4.380 4.204 4.146 4.237 . 0 0 "[ . 1 . 2]" 1
1737 1 122 MET H 1 122 MET QB . . 3.290 2.814 2.614 3.106 . 0 0 "[ . 1 . 2]" 1
1738 1 122 MET H 1 122 MET HG2 . . 3.970 2.494 1.999 3.620 . 0 0 "[ . 1 . 2]" 1
1739 1 122 MET H 1 122 MET QG . . 3.410 2.262 1.986 2.518 . 0 0 "[ . 1 . 2]" 1
1740 1 122 MET H 1 122 MET HG3 . . 3.970 3.499 2.092 3.870 . 0 0 "[ . 1 . 2]" 1
1741 1 122 MET H 1 123 ASP H . . 4.760 4.467 4.441 4.525 . 0 0 "[ . 1 . 2]" 1
1742 1 122 MET H 1 124 ARG H . . 5.220 5.177 4.967 5.245 0.025 11 0 "[ . 1 . 2]" 1
1743 1 122 MET HA 1 123 ASP H . . 3.110 2.564 2.454 2.622 . 0 0 "[ . 1 . 2]" 1
1744 1 122 MET HA 1 124 ARG H . . 4.070 3.339 3.223 3.469 . 0 0 "[ . 1 . 2]" 1
1745 1 122 MET QB 1 123 ASP H . . 3.500 2.163 2.056 2.324 . 0 0 "[ . 1 . 2]" 1
1746 1 122 MET QG 1 123 ASP H . . 4.250 3.220 2.786 4.250 0.000 16 0 "[ . 1 . 2]" 1
1747 1 123 ASP H 1 123 ASP QB . . 3.080 2.877 2.851 2.967 . 0 0 "[ . 1 . 2]" 1
1748 1 123 ASP H 1 124 ARG H . . 3.240 2.776 2.624 2.938 . 0 0 "[ . 1 . 2]" 1
1749 1 123 ASP HA 1 124 ARG H . . 3.280 2.857 2.792 2.925 . 0 0 "[ . 1 . 2]" 1
1750 1 123 ASP QB 1 124 ARG H . . 4.410 3.864 3.784 4.054 . 0 0 "[ . 1 . 2]" 1
1751 1 124 ARG H 1 124 ARG HB2 . . 3.960 2.853 2.741 3.062 . 0 0 "[ . 1 . 2]" 1
1752 1 124 ARG H 1 124 ARG QB . . 3.430 2.743 2.650 2.801 . 0 0 "[ . 1 . 2]" 1
1753 1 124 ARG H 1 124 ARG HB3 . . 3.960 3.687 3.164 3.900 . 0 0 "[ . 1 . 2]" 1
1754 1 124 ARG H 1 125 CYS H . . 4.450 4.291 4.202 4.427 . 0 0 "[ . 1 . 2]" 1
1755 1 124 ARG H 1 125 CYS HA . . 5.150 4.758 4.610 4.913 . 0 0 "[ . 1 . 2]" 1
1756 1 124 ARG HA 1 124 ARG QD . . 3.660 2.612 1.970 3.639 . 0 0 "[ . 1 . 2]" 1
1757 1 124 ARG HA 1 124 ARG QG . . 3.640 2.513 2.106 2.869 . 0 0 "[ . 1 . 2]" 1
1758 1 124 ARG HA 1 125 CYS H . . 3.110 2.232 2.172 2.455 . 0 0 "[ . 1 . 2]" 1
1759 1 124 ARG QB 1 125 CYS H . . 4.320 3.024 2.295 3.538 . 0 0 "[ . 1 . 2]" 1
1760 1 124 ARG QD 1 125 CYS H . . 5.030 3.740 3.183 4.446 . 0 0 "[ . 1 . 2]" 1
1761 1 124 ARG QG 1 125 CYS H . . 5.200 3.738 2.095 4.512 . 0 0 "[ . 1 . 2]" 1
1762 1 125 CYS H 1 125 CYS HB2 . . 4.000 3.031 2.509 3.818 . 0 0 "[ . 1 . 2]" 1
1763 1 125 CYS H 1 125 CYS QB . . 3.460 2.667 2.434 3.015 . 0 0 "[ . 1 . 2]" 1
1764 1 125 CYS H 1 125 CYS HB3 . . 4.000 3.078 2.664 3.576 . 0 0 "[ . 1 . 2]" 1
1765 1 125 CYS H 1 127 ALA H . . 5.230 5.170 4.991 5.247 0.017 11 0 "[ . 1 . 2]" 1
1766 1 125 CYS H 1 128 ILE H . . 5.040 4.713 4.301 4.970 . 0 0 "[ . 1 . 2]" 1
1767 1 125 CYS HA 1 126 PRO HD2 . . 4.050 2.129 1.973 2.344 . 0 0 "[ . 1 . 2]" 1
1768 1 125 CYS HA 1 126 PRO HD3 . . 4.050 2.268 2.250 2.329 . 0 0 "[ . 1 . 2]" 1
1769 1 125 CYS HA 1 127 ALA H . . 4.570 3.790 3.564 4.105 . 0 0 "[ . 1 . 2]" 1
1770 1 125 CYS QB 1 127 ALA H . . 4.480 3.116 2.506 3.554 . 0 0 "[ . 1 . 2]" 1
1771 1 125 CYS QB 1 128 ILE H . . 3.870 2.994 2.698 3.571 . 0 0 "[ . 1 . 2]" 1
1772 1 125 CYS QB 1 128 ILE MD . . 3.890 3.655 3.318 3.930 0.040 11 0 "[ . 1 . 2]" 1
1773 1 126 PRO HA 1 129 GLU H . . 3.980 3.081 3.009 3.159 . 0 0 "[ . 1 . 2]" 1
1774 1 126 PRO HA 1 129 GLU QB . . 4.120 2.004 1.943 2.154 . 0 0 "[ . 1 . 2]" 1
1775 1 126 PRO HA 1 130 LEU H . . 3.770 3.446 2.978 3.669 . 0 0 "[ . 1 . 2]" 1
1776 1 126 PRO HB2 1 127 ALA H . . 3.870 3.553 3.365 3.703 . 0 0 "[ . 1 . 2]" 1
1777 1 126 PRO HB2 1 130 LEU H . . 4.760 4.646 4.180 4.784 0.024 15 0 "[ . 1 . 2]" 1
1778 1 126 PRO QD 1 127 ALA H . . 3.660 2.650 2.603 2.712 . 0 0 "[ . 1 . 2]" 1
1779 1 126 PRO HD2 1 127 ALA H . . 4.320 2.698 2.648 2.767 . 0 0 "[ . 1 . 2]" 1
1780 1 126 PRO HD3 1 127 ALA H . . 4.320 3.869 3.839 3.906 . 0 0 "[ . 1 . 2]" 1
1781 1 126 PRO QG 1 127 ALA H . . 4.120 2.635 2.387 2.846 . 0 0 "[ . 1 . 2]" 1
1782 1 126 PRO HG2 1 127 ALA H . . 4.740 2.667 2.409 2.890 . 0 0 "[ . 1 . 2]" 1
1783 1 126 PRO HG3 1 127 ALA H . . 4.740 4.103 3.910 4.270 . 0 0 "[ . 1 . 2]" 1
1784 1 127 ALA H 1 127 ALA MB . . 2.900 2.168 2.061 2.246 . 0 0 "[ . 1 . 2]" 1
1785 1 127 ALA H 1 128 ILE H . . 3.230 2.693 2.525 2.782 . 0 0 "[ . 1 . 2]" 1
1786 1 127 ALA H 1 128 ILE HB . . 5.350 5.176 5.040 5.288 . 0 0 "[ . 1 . 2]" 1
1787 1 127 ALA H 1 128 ILE QG . . 4.750 4.250 3.875 4.464 . 0 0 "[ . 1 . 2]" 1
1788 1 127 ALA H 1 129 GLU H . . 4.310 3.718 3.628 3.852 . 0 0 "[ . 1 . 2]" 1
1789 1 127 ALA MB 1 128 ILE H . . 3.450 2.622 2.464 2.768 . 0 0 "[ . 1 . 2]" 1
1790 1 127 ALA MB 1 129 GLU H . . 4.420 4.276 4.164 4.436 0.016 20 0 "[ . 1 . 2]" 1
1791 1 128 ILE H 1 128 ILE HB . . 3.480 2.632 2.527 2.813 . 0 0 "[ . 1 . 2]" 1
1792 1 128 ILE H 1 128 ILE MD . . 3.890 3.523 2.886 3.780 . 0 0 "[ . 1 . 2]" 1
1793 1 128 ILE H 1 128 ILE QG . . 3.460 2.313 2.086 2.500 . 0 0 "[ . 1 . 2]" 1
1794 1 128 ILE H 1 128 ILE MG . . 3.890 3.824 3.801 3.837 . 0 0 "[ . 1 . 2]" 1
1795 1 128 ILE H 1 129 GLU H . . 3.340 2.139 2.127 2.148 . 0 0 "[ . 1 . 2]" 1
1796 1 128 ILE H 1 129 GLU HA . . 4.880 4.785 4.752 4.817 . 0 0 "[ . 1 . 2]" 1
1797 1 128 ILE H 1 130 LEU H . . 4.450 3.952 3.785 4.204 . 0 0 "[ . 1 . 2]" 1
1798 1 128 ILE HA 1 128 ILE MD . . 4.060 3.326 1.998 3.880 . 0 0 "[ . 1 . 2]" 1
1799 1 128 ILE HA 1 128 ILE QG . . 3.710 2.668 2.449 3.188 . 0 0 "[ . 1 . 2]" 1
1800 1 128 ILE HA 1 128 ILE MG . . 3.360 2.280 2.153 2.329 . 0 0 "[ . 1 . 2]" 1
1801 1 128 ILE HA 1 129 GLU HA . . 4.970 4.744 4.710 4.773 . 0 0 "[ . 1 . 2]" 1
1802 1 128 ILE HB 1 128 ILE MD . . 3.640 2.588 2.268 3.228 . 0 0 "[ . 1 . 2]" 1
1803 1 128 ILE HB 1 129 GLU H . . 4.040 3.107 3.011 3.185 . 0 0 "[ . 1 . 2]" 1
1804 1 128 ILE QG 1 128 ILE MG . . 3.230 2.299 2.188 2.336 . 0 0 "[ . 1 . 2]" 1
1805 1 128 ILE QG 1 129 GLU H . . 4.390 3.997 3.796 4.134 . 0 0 "[ . 1 . 2]" 1
1806 1 128 ILE MG 1 129 GLU H . . 4.120 3.930 3.795 4.123 0.003 11 0 "[ . 1 . 2]" 1
1807 1 129 GLU H 1 129 GLU HB2 . . 3.870 2.403 2.085 2.772 . 0 0 "[ . 1 . 2]" 1
1808 1 129 GLU H 1 129 GLU QB . . 3.370 2.231 2.065 2.271 . 0 0 "[ . 1 . 2]" 1
1809 1 129 GLU H 1 129 GLU HB3 . . 3.870 2.764 2.372 3.494 . 0 0 "[ . 1 . 2]" 1
1810 1 129 GLU QB 1 130 LEU H . . 4.370 2.750 2.390 3.093 . 0 0 "[ . 1 . 2]" 1
1811 1 130 LEU H 1 130 LEU HB2 . . 3.190 2.941 2.860 2.989 . 0 0 "[ . 1 . 2]" 1
1812 1 130 LEU H 1 130 LEU QB . . 2.740 2.105 2.092 2.135 . 0 0 "[ . 1 . 2]" 1
1813 1 130 LEU H 1 130 LEU HB3 . . 3.190 2.157 2.137 2.204 . 0 0 "[ . 1 . 2]" 1
1814 1 130 LEU H 1 130 LEU MD1 . . 4.430 4.236 4.197 4.260 . 0 0 "[ . 1 . 2]" 1
1815 1 130 LEU H 1 130 LEU QD . . 3.900 3.739 3.719 3.751 . 0 0 "[ . 1 . 2]" 1
1816 1 130 LEU H 1 130 LEU MD2 . . 4.430 4.161 4.121 4.193 . 0 0 "[ . 1 . 2]" 1
1817 1 130 LEU H 1 132 ARG H . . 4.560 3.728 3.661 3.851 . 0 0 "[ . 1 . 2]" 1
1818 1 130 LEU H 1 132 ARG QB . . 4.590 4.354 4.314 4.497 . 0 0 "[ . 1 . 2]" 1
1819 1 130 LEU HA 1 130 LEU QD . . 4.130 2.346 2.233 2.441 . 0 0 "[ . 1 . 2]" 1
1820 1 130 LEU QD 1 132 ARG H . . 4.820 4.391 4.351 4.620 . 0 0 "[ . 1 . 2]" 1
1821 1 130 LEU QD 1 134 GLY H . . 5.320 4.081 3.299 4.750 . 0 0 "[ . 1 . 2]" 1
1822 1 130 LEU QD 1 135 LEU H . . 5.440 3.563 2.806 4.126 . 0 0 "[ . 1 . 2]" 1
1823 1 130 LEU QD 1 136 ALA H . . 3.880 2.733 2.040 3.213 . 0 0 "[ . 1 . 2]" 1
1824 1 130 LEU QD 1 136 ALA HA . . 4.300 2.845 1.939 3.921 . 0 0 "[ . 1 . 2]" 1
1825 1 130 LEU HG 1 131 PRO HA . . 4.420 3.088 3.076 3.112 . 0 0 "[ . 1 . 2]" 1
1826 1 130 LEU HG 1 136 ALA H . . 4.050 3.459 3.000 4.038 . 0 0 "[ . 1 . 2]" 1
1827 1 130 LEU HG 1 136 ALA HA . . 4.770 4.023 3.095 4.802 0.032 9 0 "[ . 1 . 2]" 1
1828 1 131 PRO HA 1 134 GLY H . . 4.580 2.991 2.669 3.573 . 0 0 "[ . 1 . 2]" 1
1829 1 131 PRO HA 1 134 GLY QA . . 4.370 3.511 2.889 4.059 . 0 0 "[ . 1 . 2]" 1
1830 1 131 PRO HA 1 135 LEU H . . 4.280 2.810 2.167 3.630 . 0 0 "[ . 1 . 2]" 1
1831 1 131 PRO HA 1 136 ALA H . . 4.050 2.545 1.924 3.216 . 0 0 "[ . 1 . 2]" 1
1832 1 131 PRO HA 1 136 ALA MB . . 3.550 2.613 1.952 3.069 . 0 0 "[ . 1 . 2]" 1
1833 1 131 PRO QB 1 134 GLY H . . 5.150 4.464 4.032 5.164 0.014 18 0 "[ . 1 . 2]" 1
1834 1 131 PRO QB 1 136 ALA H . . 4.330 3.795 3.268 4.315 . 0 0 "[ . 1 . 2]" 1
1835 1 131 PRO QB 1 136 ALA MB . . 3.770 2.695 2.037 3.368 . 0 0 "[ . 1 . 2]" 1
1836 1 131 PRO QG 1 136 ALA MB . . 4.550 3.922 3.367 4.438 . 0 0 "[ . 1 . 2]" 1
1837 1 132 ARG H 1 132 ARG QB . . 2.650 2.159 2.104 2.191 . 0 0 "[ . 1 . 2]" 1
1838 1 132 ARG H 1 132 ARG HG2 . . 4.130 3.049 2.862 4.184 0.054 18 0 "[ . 1 . 2]" 1
1839 1 132 ARG H 1 132 ARG QG . . 3.350 2.909 2.801 3.362 0.012 18 0 "[ . 1 . 2]" 1
1840 1 132 ARG H 1 132 ARG HG3 . . 4.130 3.980 2.932 4.161 0.031 13 0 "[ . 1 . 2]" 1
1841 1 132 ARG H 1 133 LEU H . . 3.280 2.653 2.367 2.763 . 0 0 "[ . 1 . 2]" 1
1842 1 132 ARG H 1 134 GLY H . . 4.230 3.891 3.525 4.116 . 0 0 "[ . 1 . 2]" 1
1843 1 132 ARG H 1 136 ALA MB . . 5.390 5.133 4.561 5.404 0.014 9 0 "[ . 1 . 2]" 1
1844 1 132 ARG QB 1 133 LEU H . . 3.610 3.423 3.137 3.597 . 0 0 "[ . 1 . 2]" 1
1845 1 132 ARG QD 1 133 LEU QD . . 4.990 3.154 1.923 4.037 . 0 0 "[ . 1 . 2]" 1
1846 1 132 ARG QG 1 133 LEU H . . 3.590 2.304 2.258 2.554 . 0 0 "[ . 1 . 2]" 1
1847 1 132 ARG QG 1 133 LEU QD . . 3.480 2.384 1.781 2.831 . 0 0 "[ . 1 . 2]" 1
1848 1 132 ARG QG 1 134 GLY H . . 4.700 4.188 4.017 4.419 . 0 0 "[ . 1 . 2]" 1
1849 1 133 LEU H 1 133 LEU HB2 . . 3.970 2.348 2.217 2.450 . 0 0 "[ . 1 . 2]" 1
1850 1 133 LEU H 1 133 LEU QB . . 3.100 2.297 2.189 2.415 . 0 0 "[ . 1 . 2]" 1
1851 1 133 LEU H 1 133 LEU HB3 . . 3.970 3.326 2.917 3.662 . 0 0 "[ . 1 . 2]" 1
1852 1 133 LEU H 1 133 LEU QD . . 3.450 3.291 2.648 3.462 0.012 16 0 "[ . 1 . 2]" 1
1853 1 133 LEU H 1 134 GLY H . . 3.170 2.096 1.949 2.298 . 0 0 "[ . 1 . 2]" 1
1854 1 133 LEU H 1 134 GLY QA . . 4.450 4.086 3.970 4.250 . 0 0 "[ . 1 . 2]" 1
1855 1 133 LEU HA 1 133 LEU QD . . 3.240 2.383 1.845 2.950 . 0 0 "[ . 1 . 2]" 1
1856 1 133 LEU HB2 1 134 GLY H . . 4.220 3.221 2.861 3.659 . 0 0 "[ . 1 . 2]" 1
1857 1 133 LEU HB3 1 134 GLY H . . 4.220 3.341 2.936 3.779 . 0 0 "[ . 1 . 2]" 1
1858 1 133 LEU QD 1 134 GLY H . . 4.550 4.098 3.791 4.268 . 0 0 "[ . 1 . 2]" 1
1859 1 134 GLY H 1 134 GLY QA . . 2.690 2.285 2.263 2.326 . 0 0 "[ . 1 . 2]" 1
1860 1 134 GLY H 1 135 LEU QB . . 4.560 4.234 3.807 4.572 0.012 9 0 "[ . 1 . 2]" 1
1861 1 134 GLY H 1 135 LEU QD . . 4.600 3.936 3.214 4.614 0.014 13 0 "[ . 1 . 2]" 1
1862 1 134 GLY H 1 136 ALA H . . 4.080 3.770 3.322 4.016 . 0 0 "[ . 1 . 2]" 1
1863 1 134 GLY H 1 136 ALA MB . . 4.900 4.547 4.067 4.808 . 0 0 "[ . 1 . 2]" 1
1864 1 134 GLY QA 1 135 LEU H . . 3.370 2.784 2.619 2.913 . 0 0 "[ . 1 . 2]" 1
1865 1 134 GLY QA 1 136 ALA H . . 3.950 3.489 3.161 3.896 . 0 0 "[ . 1 . 2]" 1
1866 1 135 LEU H 1 135 LEU QB . . 3.120 2.569 2.147 2.989 . 0 0 "[ . 1 . 2]" 1
1867 1 135 LEU H 1 135 LEU QD . . 3.150 2.926 2.343 3.221 0.071 16 0 "[ . 1 . 2]" 1
1868 1 135 LEU H 1 136 ALA H . . 2.920 2.231 1.895 2.624 . 0 0 "[ . 1 . 2]" 1
1869 1 135 LEU H 1 136 ALA MB . . 4.230 3.812 3.496 4.163 . 0 0 "[ . 1 . 2]" 1
1870 1 135 LEU HA 1 135 LEU QD . . 2.920 2.314 1.879 3.067 0.147 16 0 "[ . 1 . 2]" 1
1871 1 136 ALA H 1 136 ALA MB . . 2.690 2.070 2.027 2.298 . 0 0 "[ . 1 . 2]" 1
1872 1 136 ALA H 1 137 LYS H . . 4.740 4.612 4.511 4.644 . 0 0 "[ . 1 . 2]" 1
1873 1 136 ALA HA 1 137 LYS H . . 2.680 2.313 2.148 2.603 . 0 0 "[ . 1 . 2]" 1
1874 1 136 ALA HA 1 137 LYS QB . . 5.180 4.487 4.275 4.775 . 0 0 "[ . 1 . 2]" 1
1875 1 136 ALA MB 1 137 LYS H . . 3.320 2.731 2.148 3.164 . 0 0 "[ . 1 . 2]" 1
1876 1 137 LYS H 1 137 LYS HB2 . . 3.710 2.471 2.236 3.603 . 0 0 "[ . 1 . 2]" 1
1877 1 137 LYS H 1 137 LYS QB . . 3.070 2.394 2.212 2.736 . 0 0 "[ . 1 . 2]" 1
1878 1 137 LYS H 1 137 LYS HB3 . . 3.710 3.549 2.835 3.673 . 0 0 "[ . 1 . 2]" 1
1879 1 137 LYS H 1 137 LYS QD . . 3.700 3.180 1.974 3.760 0.060 5 0 "[ . 1 . 2]" 1
1880 1 137 LYS H 1 137 LYS HG2 . . 4.070 3.371 2.104 4.053 . 0 0 "[ . 1 . 2]" 1
1881 1 137 LYS H 1 137 LYS QG . . 3.310 2.564 1.881 3.295 . 0 0 "[ . 1 . 2]" 1
1882 1 137 LYS H 1 137 LYS HG3 . . 4.070 3.031 1.909 4.056 . 0 0 "[ . 1 . 2]" 1
1883 1 137 LYS HA 1 137 LYS HG2 . . 4.040 3.087 2.643 4.084 0.044 5 0 "[ . 1 . 2]" 1
1884 1 137 LYS HA 1 137 LYS QG . . 3.450 2.569 2.232 3.350 . 0 0 "[ . 1 . 2]" 1
1885 1 137 LYS HA 1 137 LYS HG3 . . 4.040 2.969 2.256 3.790 . 0 0 "[ . 1 . 2]" 1
1886 1 137 LYS QB 1 137 LYS QE . . 4.400 3.099 1.976 3.787 . 0 0 "[ . 1 . 2]" 1
1887 1 137 LYS QE 1 137 LYS HG2 . . 3.750 2.564 2.124 3.500 . 0 0 "[ . 1 . 2]" 1
1888 1 137 LYS QE 1 137 LYS HG3 . . 3.750 2.714 2.019 3.305 . 0 0 "[ . 1 . 2]" 1
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