NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
416540 |
2dju   |
10260 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2dju
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 2132
_Distance_constraint_stats_list.Viol_count 506
_Distance_constraint_stats_list.Viol_total 65.684
_Distance_constraint_stats_list.Viol_max 0.124
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0065
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.002 0.001 9 0 "[ . 1 . 2]"
1 8 PRO 0.043 0.005 12 0 "[ . 1 . 2]"
1 9 LYS 0.128 0.046 13 0 "[ . 1 . 2]"
1 10 PRO 0.018 0.010 14 0 "[ . 1 . 2]"
1 11 PRO 0.008 0.004 11 0 "[ . 1 . 2]"
1 12 ILE 0.003 0.002 14 0 "[ . 1 . 2]"
1 13 ASP 0.003 0.002 5 0 "[ . 1 . 2]"
1 14 LEU 0.029 0.014 20 0 "[ . 1 . 2]"
1 15 VAL 0.027 0.014 20 0 "[ . 1 . 2]"
1 16 VAL 0.040 0.008 13 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.003 0.003 1 0 "[ . 1 . 2]"
1 19 THR 0.800 0.046 15 0 "[ . 1 . 2]"
1 20 THR 0.710 0.046 15 0 "[ . 1 . 2]"
1 21 ALA 0.034 0.007 14 0 "[ . 1 . 2]"
1 22 THR 0.016 0.013 14 0 "[ . 1 . 2]"
1 23 SER 0.031 0.013 14 0 "[ . 1 . 2]"
1 24 VAL 0.263 0.030 20 0 "[ . 1 . 2]"
1 25 THR 0.082 0.015 18 0 "[ . 1 . 2]"
1 26 LEU 0.059 0.008 13 0 "[ . 1 . 2]"
1 27 THR 0.003 0.001 1 0 "[ . 1 . 2]"
1 28 TRP 0.008 0.003 8 0 "[ . 1 . 2]"
1 29 ASP 0.026 0.021 8 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.002 0.002 14 0 "[ . 1 . 2]"
1 32 ASN 0.014 0.010 14 0 "[ . 1 . 2]"
1 33 SER 0.012 0.011 20 0 "[ . 1 . 2]"
1 34 GLU 0.014 0.011 20 0 "[ . 1 . 2]"
1 35 PRO 0.083 0.021 6 0 "[ . 1 . 2]"
1 36 VAL 0.111 0.021 6 0 "[ . 1 . 2]"
1 37 THR 0.011 0.005 19 0 "[ . 1 . 2]"
1 38 TYR 0.019 0.008 6 0 "[ . 1 . 2]"
1 39 TYR 0.004 0.004 11 0 "[ . 1 . 2]"
1 40 GLY 0.003 0.002 12 0 "[ . 1 . 2]"
1 41 ILE 0.016 0.003 20 0 "[ . 1 . 2]"
1 42 GLN 0.118 0.079 20 0 "[ . 1 . 2]"
1 43 TYR 0.100 0.012 18 0 "[ . 1 . 2]"
1 44 ARG 0.241 0.048 19 0 "[ . 1 . 2]"
1 45 ALA 0.089 0.048 19 0 "[ . 1 . 2]"
1 46 ALA 0.041 0.024 19 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 THR 0.015 0.006 18 0 "[ . 1 . 2]"
1 49 GLU 0.229 0.124 18 0 "[ . 1 . 2]"
1 50 GLY 0.225 0.124 18 0 "[ . 1 . 2]"
1 51 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.076 0.031 18 0 "[ . 1 . 2]"
1 53 GLN 0.052 0.031 18 0 "[ . 1 . 2]"
1 54 GLU 0.010 0.008 10 0 "[ . 1 . 2]"
1 55 VAL 0.016 0.008 10 0 "[ . 1 . 2]"
1 56 ASP 0.001 0.001 19 0 "[ . 1 . 2]"
1 57 GLY 0.012 0.008 6 0 "[ . 1 . 2]"
1 58 VAL 0.064 0.010 6 0 "[ . 1 . 2]"
1 59 ALA 0.073 0.010 6 0 "[ . 1 . 2]"
1 60 THR 0.026 0.007 10 0 "[ . 1 . 2]"
1 61 THR 0.017 0.007 6 0 "[ . 1 . 2]"
1 62 ARG 0.009 0.007 6 0 "[ . 1 . 2]"
1 63 TYR 0.003 0.001 1 0 "[ . 1 . 2]"
1 64 SER 0.008 0.003 14 0 "[ . 1 . 2]"
1 65 ILE 0.106 0.030 20 0 "[ . 1 . 2]"
1 66 GLY 0.002 0.001 19 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.016 0.004 18 0 "[ . 1 . 2]"
1 69 SER 0.001 0.001 20 0 "[ . 1 . 2]"
1 70 PRO 0.013 0.004 11 0 "[ . 1 . 2]"
1 71 PHE 0.065 0.026 14 0 "[ . 1 . 2]"
1 72 SER 0.180 0.026 14 0 "[ . 1 . 2]"
1 73 GLU 0.033 0.009 6 0 "[ . 1 . 2]"
1 74 TYR 0.035 0.009 6 0 "[ . 1 . 2]"
1 75 ALA 0.052 0.019 18 0 "[ . 1 . 2]"
1 76 PHE 0.060 0.019 18 0 "[ . 1 . 2]"
1 77 ARG 0.180 0.045 13 0 "[ . 1 . 2]"
1 78 VAL 0.030 0.014 14 0 "[ . 1 . 2]"
1 79 LEU 0.060 0.020 14 0 "[ . 1 . 2]"
1 80 ALA 0.011 0.005 12 0 "[ . 1 . 2]"
1 81 VAL 0.033 0.007 7 0 "[ . 1 . 2]"
1 82 ASN 0.088 0.016 15 0 "[ . 1 . 2]"
1 83 SER 0.004 0.004 4 0 "[ . 1 . 2]"
1 84 ILE 0.032 0.009 7 0 "[ . 1 . 2]"
1 85 GLY 0.004 0.003 3 0 "[ . 1 . 2]"
1 86 ARG 0.033 0.016 15 0 "[ . 1 . 2]"
1 87 GLY 0.106 0.036 12 0 "[ . 1 . 2]"
1 88 PRO 0.082 0.036 12 0 "[ . 1 . 2]"
1 89 PRO 0.081 0.038 12 0 "[ . 1 . 2]"
1 90 SER 0.004 0.003 14 0 "[ . 1 . 2]"
1 91 GLU 0.052 0.015 12 0 "[ . 1 . 2]"
1 92 ALA 0.073 0.016 12 0 "[ . 1 . 2]"
1 93 VAL 0.028 0.009 7 0 "[ . 1 . 2]"
1 94 ARG 0.167 0.020 5 0 "[ . 1 . 2]"
1 95 ALA 0.015 0.003 8 0 "[ . 1 . 2]"
1 96 ARG 0.018 0.006 19 0 "[ . 1 . 2]"
1 97 THR 0.075 0.026 14 0 "[ . 1 . 2]"
1 98 GLY 0.033 0.019 14 0 "[ . 1 . 2]"
1 99 GLU 0.010 0.005 17 0 "[ . 1 . 2]"
1 100 GLN 0.012 0.012 14 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 PRO 0.004 0.004 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HA 1 84 ILE MG . . 4.790 4.527 4.081 4.719 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 PRO HD2 . . 5.180 4.710 4.209 4.844 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY H 1 84 ILE MG . . 4.650 3.380 2.630 4.281 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 8 PRO HD2 . . 3.530 3.037 2.843 3.146 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA2 1 8 PRO HD3 . . 3.300 2.748 2.571 2.856 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY HA2 1 8 PRO HG3 . . 5.320 4.976 4.798 5.082 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY HA2 1 82 ASN HD21 . . 4.800 4.665 4.288 4.800 . 7 0 "[ . 1 . 2]" 1
8 1 7 GLY HA2 1 82 ASN HD22 . . 4.500 3.422 2.862 3.742 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLY HA2 1 84 ILE HB . . 4.110 2.888 2.647 3.199 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLY HA2 1 84 ILE QG . . 4.430 3.350 2.935 3.760 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLY HA2 1 84 ILE MG . . 3.530 2.242 1.863 3.024 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLY HA3 1 8 PRO HD2 . . 3.490 2.066 1.996 2.208 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLY HA3 1 8 PRO HG2 . . 4.640 4.201 4.157 4.299 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLY HA3 1 8 PRO HG3 . . 4.820 4.643 4.557 4.804 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLY HA3 1 82 ASN HD22 . . 4.610 4.404 4.064 4.611 0.001 9 0 "[ . 1 . 2]" 1
16 1 7 GLY HA3 1 84 ILE HB . . 4.380 3.853 3.527 4.117 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLY HA3 1 84 ILE MG . . 4.060 3.075 2.437 3.736 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO HA 1 9 LYS H . . 2.820 2.504 2.458 2.652 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HA 1 9 LYS QB . . 5.340 4.388 4.246 4.624 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HA 1 9 LYS QG . . 5.340 4.078 3.379 5.013 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HA 1 32 ASN QD . . 4.830 4.368 3.961 4.778 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO HA 1 82 ASN HD21 . . 4.990 4.099 3.732 4.403 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO HA 1 82 ASN HD22 . . 4.830 4.174 3.765 4.517 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HB2 1 9 LYS H . . 3.690 2.367 2.043 2.468 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HB2 1 32 ASN HD21 . . 4.580 3.920 3.122 4.468 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO HB2 1 32 ASN QD . . 4.020 3.036 2.635 3.413 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO HB2 1 32 ASN HD22 . . 4.580 3.270 2.679 3.917 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO HB2 1 36 VAL MG1 . . 4.630 3.222 2.350 4.014 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HB2 1 36 VAL MG2 . . 4.630 3.949 3.195 4.633 0.003 11 0 "[ . 1 . 2]" 1
30 1 8 PRO HB2 1 80 ALA H . . 5.500 4.571 4.341 4.776 . 0 0 "[ . 1 . 2]" 1
31 1 8 PRO HB2 1 80 ALA MB . . 3.210 2.092 1.967 2.242 . 0 0 "[ . 1 . 2]" 1
32 1 8 PRO HB2 1 82 ASN HD21 . . 5.040 4.032 3.641 4.601 . 0 0 "[ . 1 . 2]" 1
33 1 8 PRO HB2 1 82 ASN HD22 . . 5.500 4.948 4.727 5.245 . 0 0 "[ . 1 . 2]" 1
34 1 8 PRO HB2 1 87 GLY HA3 . . 5.320 4.345 4.146 4.451 . 0 0 "[ . 1 . 2]" 1
35 1 8 PRO HB3 1 9 LYS H . . 3.390 3.335 3.197 3.381 . 0 0 "[ . 1 . 2]" 1
36 1 8 PRO HB3 1 32 ASN HD21 . . 5.500 5.042 4.383 5.489 . 0 0 "[ . 1 . 2]" 1
37 1 8 PRO HB3 1 32 ASN QD . . 4.720 4.195 3.876 4.465 . 0 0 "[ . 1 . 2]" 1
38 1 8 PRO HB3 1 32 ASN HD22 . . 5.500 4.544 4.049 5.095 . 0 0 "[ . 1 . 2]" 1
39 1 8 PRO HB3 1 36 VAL MG1 . . 4.720 2.842 1.909 3.722 . 0 0 "[ . 1 . 2]" 1
40 1 8 PRO HB3 1 36 VAL QG . . 4.110 2.631 1.906 3.196 . 0 0 "[ . 1 . 2]" 1
41 1 8 PRO HB3 1 36 VAL MG2 . . 4.720 3.827 2.959 4.652 . 0 0 "[ . 1 . 2]" 1
42 1 8 PRO HB3 1 80 ALA MB . . 3.410 3.162 2.965 3.362 . 0 0 "[ . 1 . 2]" 1
43 1 8 PRO HB3 1 81 VAL H . . 5.500 5.255 5.010 5.500 0.000 6 0 "[ . 1 . 2]" 1
44 1 8 PRO HB3 1 82 ASN H . . 5.460 4.946 4.363 5.365 . 0 0 "[ . 1 . 2]" 1
45 1 8 PRO HB3 1 82 ASN HD21 . . 4.390 2.512 2.062 2.895 . 0 0 "[ . 1 . 2]" 1
46 1 8 PRO HB3 1 82 ASN HD22 . . 4.930 3.398 3.125 3.716 . 0 0 "[ . 1 . 2]" 1
47 1 8 PRO HB3 1 87 GLY H . . 5.500 5.209 4.954 5.439 . 0 0 "[ . 1 . 2]" 1
48 1 8 PRO HB3 1 87 GLY HA3 . . 5.500 5.431 5.222 5.501 0.001 11 0 "[ . 1 . 2]" 1
49 1 8 PRO HD2 1 80 ALA MB . . 4.860 4.782 4.584 4.865 0.005 12 0 "[ . 1 . 2]" 1
50 1 8 PRO HD2 1 81 VAL HA . . 5.220 4.246 3.911 4.582 . 0 0 "[ . 1 . 2]" 1
51 1 8 PRO HD2 1 82 ASN H . . 5.500 4.429 4.158 4.647 . 0 0 "[ . 1 . 2]" 1
52 1 8 PRO HD2 1 82 ASN HD21 . . 4.990 3.978 3.487 4.666 . 0 0 "[ . 1 . 2]" 1
53 1 8 PRO HD2 1 82 ASN HD22 . . 5.000 3.811 3.615 4.142 . 0 0 "[ . 1 . 2]" 1
54 1 8 PRO HD2 1 84 ILE HB . . 5.130 3.913 3.514 4.253 . 0 0 "[ . 1 . 2]" 1
55 1 8 PRO HD2 1 84 ILE MG . . 4.770 4.049 3.443 4.660 . 0 0 "[ . 1 . 2]" 1
56 1 8 PRO HD2 1 85 GLY H . . 4.450 3.993 3.834 4.211 . 0 0 "[ . 1 . 2]" 1
57 1 8 PRO HD2 1 86 ARG H . . 5.420 5.035 4.634 5.336 . 0 0 "[ . 1 . 2]" 1
58 1 8 PRO HD2 1 86 ARG HA . . 4.990 4.068 3.720 4.485 . 0 0 "[ . 1 . 2]" 1
59 1 8 PRO HD2 1 87 GLY H . . 3.850 3.170 2.664 3.428 . 0 0 "[ . 1 . 2]" 1
60 1 8 PRO HD2 1 87 GLY HA2 . . 4.430 3.390 2.998 3.556 . 0 0 "[ . 1 . 2]" 1
61 1 8 PRO HD2 1 87 GLY HA3 . . 4.530 3.396 3.095 3.576 . 0 0 "[ . 1 . 2]" 1
62 1 8 PRO HD3 1 9 LYS H . . 5.500 5.475 5.374 5.504 0.004 3 0 "[ . 1 . 2]" 1
63 1 8 PRO HD3 1 82 ASN H . . 4.100 3.774 3.295 4.029 . 0 0 "[ . 1 . 2]" 1
64 1 8 PRO HD3 1 82 ASN HD21 . . 3.720 2.405 1.901 2.979 . 0 0 "[ . 1 . 2]" 1
65 1 8 PRO HD3 1 82 ASN HD22 . . 3.800 2.064 1.900 2.387 . 0 0 "[ . 1 . 2]" 1
66 1 8 PRO HD3 1 84 ILE HB . . 4.600 2.805 2.419 3.332 . 0 0 "[ . 1 . 2]" 1
67 1 8 PRO HD3 1 84 ILE MG . . 4.650 3.713 3.274 4.330 . 0 0 "[ . 1 . 2]" 1
68 1 8 PRO HD3 1 85 GLY H . . 4.080 3.305 3.103 3.585 . 0 0 "[ . 1 . 2]" 1
69 1 8 PRO HD3 1 87 GLY H . . 4.650 4.434 4.059 4.653 0.003 12 0 "[ . 1 . 2]" 1
70 1 8 PRO HG2 1 36 VAL QG . . 5.230 3.969 3.337 4.282 . 0 0 "[ . 1 . 2]" 1
71 1 8 PRO HG2 1 80 ALA H . . 5.500 4.373 4.209 4.568 . 0 0 "[ . 1 . 2]" 1
72 1 8 PRO HG2 1 80 ALA MB . . 3.890 2.816 2.540 2.984 . 0 0 "[ . 1 . 2]" 1
73 1 8 PRO HG2 1 81 VAL HA . . 4.510 3.455 3.184 3.775 . 0 0 "[ . 1 . 2]" 1
74 1 8 PRO HG2 1 81 VAL MG2 . . 4.850 4.482 4.049 4.777 . 0 0 "[ . 1 . 2]" 1
75 1 8 PRO HG2 1 82 ASN H . . 4.660 4.508 4.239 4.662 0.002 5 0 "[ . 1 . 2]" 1
76 1 8 PRO HG2 1 82 ASN HD21 . . 5.430 4.073 3.634 4.860 . 0 0 "[ . 1 . 2]" 1
77 1 8 PRO HG2 1 82 ASN HD22 . . 5.500 4.734 4.589 5.054 . 0 0 "[ . 1 . 2]" 1
78 1 8 PRO HG2 1 85 GLY H . . 5.500 5.347 5.156 5.503 0.003 3 0 "[ . 1 . 2]" 1
79 1 8 PRO HG2 1 87 GLY H . . 3.430 2.291 1.997 2.509 . 0 0 "[ . 1 . 2]" 1
80 1 8 PRO HG2 1 87 GLY HA2 . . 4.580 3.795 3.595 3.977 . 0 0 "[ . 1 . 2]" 1
81 1 8 PRO HG2 1 87 GLY HA3 . . 4.130 2.716 2.511 2.866 . 0 0 "[ . 1 . 2]" 1
82 1 8 PRO HG3 1 36 VAL MG1 . . 4.840 3.127 2.435 3.487 . 0 0 "[ . 1 . 2]" 1
83 1 8 PRO HG3 1 36 VAL MG2 . . 4.840 4.500 3.867 4.840 0.000 3 0 "[ . 1 . 2]" 1
84 1 8 PRO HG3 1 80 ALA MB . . 3.830 3.050 2.848 3.253 . 0 0 "[ . 1 . 2]" 1
85 1 8 PRO HG3 1 81 VAL H . . 4.890 3.993 3.782 4.228 . 0 0 "[ . 1 . 2]" 1
86 1 8 PRO HG3 1 81 VAL HA . . 3.890 2.683 2.330 2.989 . 0 0 "[ . 1 . 2]" 1
87 1 8 PRO HG3 1 82 ASN H . . 3.810 3.087 2.687 3.382 . 0 0 "[ . 1 . 2]" 1
88 1 8 PRO HG3 1 82 ASN HB3 . . 4.620 3.490 3.268 3.685 . 0 0 "[ . 1 . 2]" 1
89 1 8 PRO HG3 1 82 ASN HD21 . . 4.320 2.534 1.994 3.481 . 0 0 "[ . 1 . 2]" 1
90 1 8 PRO HG3 1 82 ASN HD22 . . 4.430 3.525 3.302 3.765 . 0 0 "[ . 1 . 2]" 1
91 1 8 PRO HG3 1 85 GLY H . . 4.630 4.278 4.073 4.522 . 0 0 "[ . 1 . 2]" 1
92 1 8 PRO HG3 1 87 GLY H . . 3.860 3.360 3.158 3.564 . 0 0 "[ . 1 . 2]" 1
93 1 8 PRO HG3 1 87 GLY HA3 . . 5.310 4.425 4.232 4.590 . 0 0 "[ . 1 . 2]" 1
94 1 9 LYS H 1 9 LYS QB . . 3.040 2.355 2.211 2.520 . 0 0 "[ . 1 . 2]" 1
95 1 9 LYS H 1 9 LYS QD . . 4.940 3.990 2.419 4.932 . 0 0 "[ . 1 . 2]" 1
96 1 9 LYS H 1 9 LYS QE . . 5.270 4.516 3.167 5.275 0.005 11 0 "[ . 1 . 2]" 1
97 1 9 LYS H 1 9 LYS HG2 . . 4.380 3.642 2.432 4.365 . 0 0 "[ . 1 . 2]" 1
98 1 9 LYS H 1 9 LYS QG . . 3.710 3.139 2.391 3.711 0.001 17 0 "[ . 1 . 2]" 1
99 1 9 LYS H 1 9 LYS HG3 . . 4.380 3.662 3.035 4.048 . 0 0 "[ . 1 . 2]" 1
100 1 9 LYS H 1 10 PRO HD2 . . 5.050 4.800 4.781 4.832 . 0 0 "[ . 1 . 2]" 1
101 1 9 LYS H 1 10 PRO HD3 . . 5.130 5.046 4.988 5.071 . 0 0 "[ . 1 . 2]" 1
102 1 9 LYS H 1 32 ASN QD . . 3.160 2.216 1.801 2.728 . 0 0 "[ . 1 . 2]" 1
103 1 9 LYS H 1 80 ALA MB . . 4.390 3.473 3.203 3.712 . 0 0 "[ . 1 . 2]" 1
104 1 9 LYS HA 1 9 LYS QD . . 3.930 3.056 2.088 3.976 0.046 13 0 "[ . 1 . 2]" 1
105 1 9 LYS HA 1 9 LYS QE . . 5.050 3.960 1.960 4.880 . 0 0 "[ . 1 . 2]" 1
106 1 9 LYS HA 1 9 LYS HG2 . . 4.090 2.771 2.215 3.623 . 0 0 "[ . 1 . 2]" 1
107 1 9 LYS HA 1 9 LYS QG . . 3.510 2.402 2.177 2.797 . 0 0 "[ . 1 . 2]" 1
108 1 9 LYS HA 1 9 LYS HG3 . . 4.090 3.153 2.280 3.844 . 0 0 "[ . 1 . 2]" 1
109 1 9 LYS HA 1 10 PRO HD2 . . 3.410 2.416 2.305 2.472 . 0 0 "[ . 1 . 2]" 1
110 1 9 LYS HA 1 10 PRO HD3 . . 3.260 2.308 2.270 2.331 . 0 0 "[ . 1 . 2]" 1
111 1 9 LYS HA 1 10 PRO HG2 . . 4.690 4.526 4.436 4.572 . 0 0 "[ . 1 . 2]" 1
112 1 9 LYS QB 1 9 LYS QD . . 3.400 2.275 2.077 2.513 . 0 0 "[ . 1 . 2]" 1
113 1 9 LYS QB 1 9 LYS QE . . 3.830 2.679 1.974 3.770 . 0 0 "[ . 1 . 2]" 1
114 1 9 LYS QB 1 10 PRO HD2 . . 3.040 2.075 1.990 2.342 . 0 0 "[ . 1 . 2]" 1
115 1 9 LYS QB 1 10 PRO HD3 . . 4.740 3.430 3.363 3.634 . 0 0 "[ . 1 . 2]" 1
116 1 9 LYS QB 1 32 ASN QD . . 3.510 2.492 1.873 2.860 . 0 0 "[ . 1 . 2]" 1
117 1 9 LYS HB2 1 9 LYS QE . . 4.410 3.248 2.083 4.414 0.004 19 0 "[ . 1 . 2]" 1
118 1 9 LYS HB2 1 10 PRO HD2 . . 3.900 3.661 3.540 3.874 . 0 0 "[ . 1 . 2]" 1
119 1 9 LYS HB3 1 9 LYS QE . . 4.410 3.131 1.995 4.379 . 0 0 "[ . 1 . 2]" 1
120 1 9 LYS HB3 1 10 PRO HD2 . . 3.900 2.087 1.999 2.362 . 0 0 "[ . 1 . 2]" 1
121 1 9 LYS QD 1 10 PRO HD2 . . 4.370 3.222 2.051 4.370 . 0 0 "[ . 1 . 2]" 1
122 1 9 LYS QD 1 10 PRO HD3 . . 4.860 4.144 2.757 4.864 0.004 11 0 "[ . 1 . 2]" 1
123 1 9 LYS QG 1 10 PRO HD3 . . 4.830 3.895 3.348 4.718 . 0 0 "[ . 1 . 2]" 1
124 1 9 LYS HG2 1 10 PRO HD2 . . 4.500 3.540 2.640 4.416 . 0 0 "[ . 1 . 2]" 1
125 1 9 LYS HG3 1 10 PRO HD2 . . 4.500 3.866 2.632 4.500 0.000 20 0 "[ . 1 . 2]" 1
126 1 10 PRO HA 1 32 ASN QD . . 5.200 4.246 4.042 4.465 . 0 0 "[ . 1 . 2]" 1
127 1 10 PRO HA 1 80 ALA MB . . 4.490 3.591 3.252 3.876 . 0 0 "[ . 1 . 2]" 1
128 1 10 PRO HB2 1 11 PRO QD . . 3.850 2.719 2.654 2.775 . 0 0 "[ . 1 . 2]" 1
129 1 10 PRO HB2 1 12 ILE MG . . 4.610 4.439 4.312 4.603 . 0 0 "[ . 1 . 2]" 1
130 1 10 PRO HB2 1 90 SER H . . 4.430 4.145 3.915 4.394 . 0 0 "[ . 1 . 2]" 1
131 1 10 PRO HB2 1 90 SER HA . . 3.720 2.509 2.330 2.721 . 0 0 "[ . 1 . 2]" 1
132 1 10 PRO HB2 1 90 SER HB2 . . 4.020 2.717 2.432 2.842 . 0 0 "[ . 1 . 2]" 1
133 1 10 PRO HB2 1 91 GLU H . . 4.800 4.443 4.244 4.635 . 0 0 "[ . 1 . 2]" 1
134 1 10 PRO HB3 1 11 PRO QD . . 3.810 3.017 2.978 3.052 . 0 0 "[ . 1 . 2]" 1
135 1 10 PRO HB3 1 80 ALA H . . 5.110 4.862 4.546 5.038 . 0 0 "[ . 1 . 2]" 1
136 1 10 PRO HB3 1 90 SER H . . 4.520 4.129 3.737 4.423 . 0 0 "[ . 1 . 2]" 1
137 1 10 PRO HB3 1 90 SER HA . . 3.630 3.288 3.046 3.464 . 0 0 "[ . 1 . 2]" 1
138 1 10 PRO HB3 1 90 SER HB2 . . 4.900 3.849 3.632 4.005 . 0 0 "[ . 1 . 2]" 1
139 1 10 PRO HD3 1 32 ASN QD . . 5.340 5.218 4.988 5.350 0.010 14 0 "[ . 1 . 2]" 1
140 1 10 PRO HG2 1 12 ILE MG . . 4.460 4.124 4.000 4.327 . 0 0 "[ . 1 . 2]" 1
141 1 11 PRO HA 1 12 ILE H . . 2.940 2.283 2.216 2.424 . 0 0 "[ . 1 . 2]" 1
142 1 11 PRO HA 1 12 ILE MG . . 4.790 3.596 3.404 3.717 . 0 0 "[ . 1 . 2]" 1
143 1 11 PRO HA 1 31 GLY HA2 . . 4.630 4.410 3.882 4.628 . 0 0 "[ . 1 . 2]" 1
144 1 11 PRO HA 1 31 GLY QA . . 3.860 2.895 2.521 3.071 . 0 0 "[ . 1 . 2]" 1
145 1 11 PRO HA 1 31 GLY HA3 . . 4.630 2.936 2.550 3.118 . 0 0 "[ . 1 . 2]" 1
146 1 11 PRO HA 1 80 ALA MB . . 5.300 4.671 4.485 4.930 . 0 0 "[ . 1 . 2]" 1
147 1 11 PRO HB2 1 12 ILE H . . 3.610 2.947 2.555 3.171 . 0 0 "[ . 1 . 2]" 1
148 1 11 PRO HB2 1 28 TRP HB2 . . 4.580 2.573 2.290 2.813 . 0 0 "[ . 1 . 2]" 1
149 1 11 PRO HB2 1 28 TRP HD1 . . 3.520 2.626 2.045 2.909 . 0 0 "[ . 1 . 2]" 1
150 1 11 PRO HB2 1 29 ASP H . . 4.990 3.814 3.291 4.364 . 0 0 "[ . 1 . 2]" 1
151 1 11 PRO HB2 1 78 VAL HB . . 4.470 3.413 3.113 3.815 . 0 0 "[ . 1 . 2]" 1
152 1 11 PRO HB2 1 78 VAL MG1 . . 4.240 3.788 3.499 4.102 . 0 0 "[ . 1 . 2]" 1
153 1 11 PRO HB2 1 78 VAL MG2 . . 4.850 4.394 4.121 4.745 . 0 0 "[ . 1 . 2]" 1
154 1 11 PRO HB2 1 90 SER HB2 . . 4.960 3.877 3.751 4.037 . 0 0 "[ . 1 . 2]" 1
155 1 11 PRO HB2 1 90 SER HB3 . . 4.810 4.359 4.093 4.567 . 0 0 "[ . 1 . 2]" 1
156 1 11 PRO HB3 1 12 ILE H . . 3.880 3.637 3.424 3.767 . 0 0 "[ . 1 . 2]" 1
157 1 11 PRO HB3 1 28 TRP HD1 . . 4.060 2.587 1.999 2.878 . 0 0 "[ . 1 . 2]" 1
158 1 11 PRO HB3 1 78 VAL HB . . 4.310 3.868 3.560 4.188 . 0 0 "[ . 1 . 2]" 1
159 1 11 PRO HB3 1 78 VAL MG1 . . 3.830 3.334 3.058 3.646 . 0 0 "[ . 1 . 2]" 1
160 1 11 PRO HB3 1 78 VAL MG2 . . 5.500 4.922 4.654 5.276 . 0 0 "[ . 1 . 2]" 1
161 1 11 PRO HB3 1 90 SER HB2 . . 4.690 4.590 4.509 4.693 0.003 14 0 "[ . 1 . 2]" 1
162 1 11 PRO HB3 1 90 SER HB3 . . 5.500 5.327 4.985 5.501 0.001 14 0 "[ . 1 . 2]" 1
163 1 11 PRO QD 1 78 VAL HB . . 4.590 3.847 3.640 3.988 . 0 0 "[ . 1 . 2]" 1
164 1 11 PRO QD 1 78 VAL MG1 . . 4.050 3.460 3.296 3.596 . 0 0 "[ . 1 . 2]" 1
165 1 11 PRO QD 1 79 LEU HA . . 4.100 2.050 1.886 2.325 . 0 0 "[ . 1 . 2]" 1
166 1 11 PRO QD 1 80 ALA H . . 3.670 2.418 2.120 2.676 . 0 0 "[ . 1 . 2]" 1
167 1 11 PRO QD 1 80 ALA MB . . 4.120 3.181 2.947 3.469 . 0 0 "[ . 1 . 2]" 1
168 1 11 PRO QD 1 90 SER H . . 3.740 3.041 2.773 3.299 . 0 0 "[ . 1 . 2]" 1
169 1 11 PRO HD2 1 78 VAL MG1 . . 4.770 4.302 4.081 4.459 . 0 0 "[ . 1 . 2]" 1
170 1 11 PRO HD2 1 80 ALA H . . 4.240 3.704 3.535 3.904 . 0 0 "[ . 1 . 2]" 1
171 1 11 PRO HD3 1 78 VAL MG1 . . 4.770 3.648 3.467 3.806 . 0 0 "[ . 1 . 2]" 1
172 1 11 PRO HD3 1 80 ALA H . . 4.240 2.453 2.137 2.745 . 0 0 "[ . 1 . 2]" 1
173 1 11 PRO HG2 1 12 ILE H . . 4.980 4.652 4.378 4.789 . 0 0 "[ . 1 . 2]" 1
174 1 11 PRO HG2 1 28 TRP HB2 . . 4.930 4.422 4.139 4.706 . 0 0 "[ . 1 . 2]" 1
175 1 11 PRO HG2 1 28 TRP HD1 . . 5.170 4.761 4.121 5.062 . 0 0 "[ . 1 . 2]" 1
176 1 11 PRO HG2 1 78 VAL HB . . 4.160 2.541 2.299 2.668 . 0 0 "[ . 1 . 2]" 1
177 1 11 PRO HG2 1 78 VAL MG1 . . 3.660 3.506 3.368 3.634 . 0 0 "[ . 1 . 2]" 1
178 1 11 PRO HG2 1 78 VAL MG2 . . 4.240 4.052 3.857 4.195 . 0 0 "[ . 1 . 2]" 1
179 1 11 PRO HG3 1 12 ILE H . . 5.500 5.317 5.047 5.460 . 0 0 "[ . 1 . 2]" 1
180 1 11 PRO HG3 1 28 TRP HD1 . . 5.050 4.306 3.660 4.628 . 0 0 "[ . 1 . 2]" 1
181 1 11 PRO HG3 1 39 TYR HD2 . . 4.470 3.197 2.908 3.483 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO HG3 1 39 TYR QE . . 4.610 4.342 3.933 4.614 0.004 11 0 "[ . 1 . 2]" 1
183 1 11 PRO HG3 1 78 VAL HB . . 4.550 2.152 2.000 2.401 . 0 0 "[ . 1 . 2]" 1
184 1 11 PRO HG3 1 78 VAL MG1 . . 3.860 2.102 1.968 2.266 . 0 0 "[ . 1 . 2]" 1
185 1 11 PRO HG3 1 78 VAL MG2 . . 4.260 3.808 3.664 4.019 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO HG3 1 79 LEU HA . . 5.310 3.052 2.785 3.400 . 0 0 "[ . 1 . 2]" 1
187 1 11 PRO HG3 1 80 ALA H . . 5.500 4.207 3.786 4.496 . 0 0 "[ . 1 . 2]" 1
188 1 11 PRO HG3 1 90 SER HB2 . . 5.500 3.594 3.509 3.705 . 0 0 "[ . 1 . 2]" 1
189 1 12 ILE H 1 12 ILE HB . . 4.200 3.790 3.751 3.882 . 0 0 "[ . 1 . 2]" 1
190 1 12 ILE H 1 12 ILE MD . . 4.090 3.859 3.756 4.032 . 0 0 "[ . 1 . 2]" 1
191 1 12 ILE H 1 12 ILE HG12 . . 3.640 2.230 2.086 2.455 . 0 0 "[ . 1 . 2]" 1
192 1 12 ILE H 1 12 ILE QG . . 2.980 2.162 2.052 2.357 . 0 0 "[ . 1 . 2]" 1
193 1 12 ILE H 1 12 ILE HG13 . . 3.640 2.932 2.694 3.176 . 0 0 "[ . 1 . 2]" 1
194 1 12 ILE H 1 12 ILE MG . . 3.540 2.897 2.751 3.010 . 0 0 "[ . 1 . 2]" 1
195 1 12 ILE H 1 13 ASP H . . 4.550 4.435 4.388 4.486 . 0 0 "[ . 1 . 2]" 1
196 1 12 ILE H 1 28 TRP HA . . 5.500 5.110 4.826 5.395 . 0 0 "[ . 1 . 2]" 1
197 1 12 ILE H 1 28 TRP HB2 . . 4.510 3.567 3.303 3.813 . 0 0 "[ . 1 . 2]" 1
198 1 12 ILE H 1 28 TRP HB3 . . 5.500 5.276 4.973 5.492 . 0 0 "[ . 1 . 2]" 1
199 1 12 ILE H 1 28 TRP HD1 . . 4.680 3.785 3.434 4.151 . 0 0 "[ . 1 . 2]" 1
200 1 12 ILE H 1 29 ASP H . . 3.810 3.000 2.617 3.346 . 0 0 "[ . 1 . 2]" 1
201 1 12 ILE H 1 29 ASP HA . . 5.500 5.077 4.689 5.366 . 0 0 "[ . 1 . 2]" 1
202 1 12 ILE H 1 29 ASP HB3 . . 4.650 3.625 2.858 4.596 . 0 0 "[ . 1 . 2]" 1
203 1 12 ILE H 1 31 GLY H . . 4.890 4.548 4.030 4.836 . 0 0 "[ . 1 . 2]" 1
204 1 12 ILE H 1 31 GLY HA2 . . 4.540 4.150 3.704 4.367 . 0 0 "[ . 1 . 2]" 1
205 1 12 ILE H 1 31 GLY QA . . 3.750 3.324 3.108 3.472 . 0 0 "[ . 1 . 2]" 1
206 1 12 ILE H 1 31 GLY HA3 . . 4.540 3.501 3.271 3.665 . 0 0 "[ . 1 . 2]" 1
207 1 12 ILE HB 1 12 ILE MD . . 3.130 2.317 2.224 2.482 . 0 0 "[ . 1 . 2]" 1
208 1 12 ILE HB 1 13 ASP H . . 3.010 2.051 1.938 2.186 . 0 0 "[ . 1 . 2]" 1
209 1 12 ILE HB 1 13 ASP HA . . 4.200 4.124 4.052 4.201 0.001 7 0 "[ . 1 . 2]" 1
210 1 12 ILE HB 1 13 ASP QB . . 4.590 3.716 3.530 4.073 . 0 0 "[ . 1 . 2]" 1
211 1 12 ILE MD 1 13 ASP H . . 3.960 3.782 3.554 3.933 . 0 0 "[ . 1 . 2]" 1
212 1 12 ILE MD 1 13 ASP HA . . 5.390 4.949 4.729 5.144 . 0 0 "[ . 1 . 2]" 1
213 1 12 ILE MD 1 13 ASP QB . . 3.860 3.491 3.228 3.852 . 0 0 "[ . 1 . 2]" 1
214 1 12 ILE MD 1 29 ASP H . . 5.310 4.732 4.519 4.958 . 0 0 "[ . 1 . 2]" 1
215 1 12 ILE MD 1 29 ASP HB2 . . 4.510 3.646 3.085 4.149 . 0 0 "[ . 1 . 2]" 1
216 1 12 ILE MD 1 29 ASP HB3 . . 3.630 3.102 2.768 3.521 . 0 0 "[ . 1 . 2]" 1
217 1 12 ILE MD 1 31 GLY H . . 4.200 4.013 3.606 4.191 . 0 0 "[ . 1 . 2]" 1
218 1 12 ILE MD 1 31 GLY HA2 . . 4.270 2.803 2.418 3.059 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE MD 1 31 GLY QA . . 3.470 2.743 2.381 2.978 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE MD 1 31 GLY HA3 . . 4.270 3.902 3.555 4.272 0.002 14 0 "[ . 1 . 2]" 1
221 1 12 ILE QG 1 13 ASP H . . 3.980 3.183 3.014 3.389 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE QG 1 13 ASP HA . . 4.640 4.356 4.119 4.540 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE QG 1 13 ASP QB . . 3.610 2.557 2.329 2.879 . 0 0 "[ . 1 . 2]" 1
224 1 12 ILE QG 1 29 ASP H . . 4.160 3.166 2.965 3.383 . 0 0 "[ . 1 . 2]" 1
225 1 12 ILE QG 1 29 ASP HB2 . . 3.540 2.798 1.979 3.436 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE QG 1 31 GLY H . . 4.140 3.619 3.391 3.894 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE QG 1 31 GLY QA . . 3.290 2.589 2.439 2.779 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE HG12 1 13 ASP H . . 4.840 4.398 4.241 4.576 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE HG12 1 29 ASP H . . 4.760 3.948 3.652 4.185 . 0 0 "[ . 1 . 2]" 1
230 1 12 ILE HG12 1 29 ASP HB3 . . 3.590 2.806 2.118 3.524 . 0 0 "[ . 1 . 2]" 1
231 1 12 ILE HG13 1 13 ASP H . . 4.840 3.267 3.078 3.492 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE HG13 1 29 ASP H . . 4.760 3.340 3.071 3.611 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE HG13 1 29 ASP HB3 . . 3.590 2.505 2.010 3.465 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE MG 1 13 ASP H . . 3.710 3.566 3.465 3.671 . 0 0 "[ . 1 . 2]" 1
235 1 12 ILE MG 1 31 GLY HA2 . . 3.880 3.422 2.867 3.787 . 0 0 "[ . 1 . 2]" 1
236 1 12 ILE MG 1 31 GLY HA3 . . 3.880 3.444 3.040 3.807 . 0 0 "[ . 1 . 2]" 1
237 1 13 ASP H 1 13 ASP HA . . 2.900 2.276 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
238 1 13 ASP H 1 14 LEU H . . 3.270 2.697 2.563 2.807 . 0 0 "[ . 1 . 2]" 1
239 1 13 ASP H 1 14 LEU HA . . 5.500 5.201 5.129 5.264 . 0 0 "[ . 1 . 2]" 1
240 1 13 ASP H 1 28 TRP HA . . 5.500 5.215 4.994 5.376 . 0 0 "[ . 1 . 2]" 1
241 1 13 ASP HA 1 14 LEU H . . 3.060 2.857 2.766 2.929 . 0 0 "[ . 1 . 2]" 1
242 1 13 ASP HA 1 15 VAL QG . . 4.400 3.192 3.073 3.297 . 0 0 "[ . 1 . 2]" 1
243 1 13 ASP QB 1 15 VAL QG . . 4.210 3.791 3.322 4.139 . 0 0 "[ . 1 . 2]" 1
244 1 13 ASP QB 1 29 ASP H . . 4.090 2.716 2.306 3.116 . 0 0 "[ . 1 . 2]" 1
245 1 13 ASP QB 1 29 ASP HB2 . . 4.030 2.666 2.371 2.943 . 0 0 "[ . 1 . 2]" 1
246 1 13 ASP HB2 1 14 LEU H . . 4.560 4.458 4.164 4.562 0.002 5 0 "[ . 1 . 2]" 1
247 1 13 ASP HB2 1 29 ASP H . . 4.770 3.480 2.627 4.128 . 0 0 "[ . 1 . 2]" 1
248 1 13 ASP HB3 1 14 LEU H . . 4.560 4.194 4.089 4.395 . 0 0 "[ . 1 . 2]" 1
249 1 13 ASP HB3 1 29 ASP H . . 4.770 3.050 2.353 4.372 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU H 1 14 LEU HB2 . . 3.000 2.273 2.228 2.331 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU H 1 14 LEU HB3 . . 3.000 2.807 2.730 2.846 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU H 1 14 LEU MD1 . . 3.810 3.679 3.589 3.796 . 0 0 "[ . 1 . 2]" 1
253 1 14 LEU H 1 14 LEU MD2 . . 4.620 4.228 4.136 4.310 . 0 0 "[ . 1 . 2]" 1
254 1 14 LEU H 1 14 LEU HG . . 4.600 4.569 4.537 4.595 . 0 0 "[ . 1 . 2]" 1
255 1 14 LEU H 1 15 VAL H . . 4.540 4.318 4.240 4.383 . 0 0 "[ . 1 . 2]" 1
256 1 14 LEU H 1 15 VAL QG . . 4.510 3.577 3.505 3.688 . 0 0 "[ . 1 . 2]" 1
257 1 14 LEU H 1 28 TRP HB2 . . 4.980 4.328 4.073 4.557 . 0 0 "[ . 1 . 2]" 1
258 1 14 LEU H 1 28 TRP HB3 . . 4.890 4.535 4.322 4.805 . 0 0 "[ . 1 . 2]" 1
259 1 14 LEU H 1 29 ASP H . . 5.270 4.991 4.857 5.200 . 0 0 "[ . 1 . 2]" 1
260 1 14 LEU HA 1 14 LEU MD1 . . 3.270 2.174 2.060 2.337 . 0 0 "[ . 1 . 2]" 1
261 1 14 LEU HA 1 14 LEU HG . . 4.160 2.814 2.701 2.929 . 0 0 "[ . 1 . 2]" 1
262 1 14 LEU HA 1 15 VAL H . . 2.840 2.170 2.150 2.203 . 0 0 "[ . 1 . 2]" 1
263 1 14 LEU HA 1 15 VAL HB . . 5.360 5.096 4.844 5.178 . 0 0 "[ . 1 . 2]" 1
264 1 14 LEU HA 1 15 VAL QG . . 4.050 3.472 3.355 3.644 . 0 0 "[ . 1 . 2]" 1
265 1 14 LEU HA 1 27 THR H . . 4.660 4.321 4.065 4.593 . 0 0 "[ . 1 . 2]" 1
266 1 14 LEU HA 1 28 TRP HB2 . . 4.550 3.461 3.226 3.588 . 0 0 "[ . 1 . 2]" 1
267 1 14 LEU HA 1 28 TRP HB3 . . 3.710 2.525 2.358 2.691 . 0 0 "[ . 1 . 2]" 1
268 1 14 LEU HA 1 28 TRP HE3 . . 5.250 4.210 4.000 4.414 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU HA 1 93 VAL QG . . 4.800 3.981 3.771 4.179 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU QB 1 14 LEU MD1 . . 3.120 2.205 2.119 2.279 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU QB 1 26 LEU MD2 . . 5.230 4.350 4.024 4.608 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU QB 1 28 TRP HB2 . . 5.340 3.981 3.666 4.130 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU QB 1 28 TRP HB3 . . 5.300 3.778 3.465 3.951 . 0 0 "[ . 1 . 2]" 1
274 1 14 LEU QB 1 90 SER HB3 . . 4.850 3.796 3.479 4.116 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU QB 1 93 VAL HB . . 5.340 4.902 4.686 5.318 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU QB 1 93 VAL QG . . 3.980 2.266 2.115 2.501 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU HB2 1 14 LEU MD2 . . 3.310 2.398 2.254 2.551 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU HB2 1 15 VAL H . . 4.590 4.564 4.527 4.604 0.014 20 0 "[ . 1 . 2]" 1
279 1 14 LEU HB3 1 14 LEU MD2 . . 3.310 2.266 2.116 2.386 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU HB3 1 15 VAL H . . 4.590 4.218 4.152 4.310 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU MD1 1 15 VAL H . . 3.810 3.538 3.329 3.785 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU MD1 1 26 LEU HA . . 5.210 4.931 4.732 5.211 0.001 8 0 "[ . 1 . 2]" 1
283 1 14 LEU MD1 1 26 LEU QB . . 4.210 3.927 3.717 4.132 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU MD1 1 26 LEU MD1 . . 3.460 3.184 2.931 3.456 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU MD1 1 26 LEU MD2 . . 3.030 2.104 1.812 2.503 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU MD1 1 26 LEU HG . . 4.440 2.447 2.044 2.783 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU MD1 1 27 THR H . . 4.270 4.069 3.800 4.271 0.001 19 0 "[ . 1 . 2]" 1
288 1 14 LEU MD1 1 28 TRP HB2 . . 3.800 2.693 2.423 2.899 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU MD1 1 28 TRP HB3 . . 3.470 1.936 1.778 2.064 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU MD1 1 28 TRP HD1 . . 5.360 4.444 4.095 4.558 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU MD1 1 28 TRP HE3 . . 3.530 2.690 2.343 3.005 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU MD1 1 29 ASP H . . 4.800 4.573 4.286 4.726 . 0 0 "[ . 1 . 2]" 1
293 1 14 LEU MD1 1 77 ARG HA . . 4.650 3.623 3.251 4.016 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU MD1 1 78 VAL H . . 4.930 2.585 2.301 2.905 . 0 0 "[ . 1 . 2]" 1
295 1 14 LEU MD1 1 78 VAL MG1 . . 4.080 3.653 3.449 3.858 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU MD1 1 78 VAL MG2 . . 3.410 1.919 1.769 2.174 . 0 0 "[ . 1 . 2]" 1
297 1 14 LEU MD1 1 90 SER HB2 . . 4.630 4.271 3.934 4.557 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU MD1 1 90 SER HB3 . . 3.960 3.336 2.957 3.562 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU MD2 1 26 LEU MD1 . . 3.950 3.496 3.111 3.785 . 0 0 "[ . 1 . 2]" 1
300 1 14 LEU MD2 1 26 LEU MD2 . . 4.030 2.822 2.468 3.153 . 0 0 "[ . 1 . 2]" 1
301 1 14 LEU MD2 1 76 PHE QB . . 4.000 3.701 3.465 3.852 . 0 0 "[ . 1 . 2]" 1
302 1 14 LEU MD2 1 76 PHE QD . . 5.500 5.382 5.242 5.501 0.001 6 0 "[ . 1 . 2]" 1
303 1 14 LEU MD2 1 77 ARG H . . 4.610 4.229 4.010 4.494 . 0 0 "[ . 1 . 2]" 1
304 1 14 LEU MD2 1 77 ARG HA . . 3.430 2.200 1.929 2.453 . 0 0 "[ . 1 . 2]" 1
305 1 14 LEU MD2 1 78 VAL H . . 3.250 2.296 1.993 2.584 . 0 0 "[ . 1 . 2]" 1
306 1 14 LEU MD2 1 78 VAL MG1 . . 5.160 4.791 4.514 5.018 . 0 0 "[ . 1 . 2]" 1
307 1 14 LEU MD2 1 78 VAL MG2 . . 3.510 3.025 2.561 3.340 . 0 0 "[ . 1 . 2]" 1
308 1 14 LEU MD2 1 90 SER H . . 4.720 4.084 3.781 4.445 . 0 0 "[ . 1 . 2]" 1
309 1 14 LEU MD2 1 90 SER HB2 . . 4.380 3.877 3.706 4.095 . 0 0 "[ . 1 . 2]" 1
310 1 14 LEU MD2 1 90 SER HB3 . . 3.500 2.504 2.197 2.736 . 0 0 "[ . 1 . 2]" 1
311 1 14 LEU MD2 1 91 GLU H . . 4.270 3.856 3.445 4.146 . 0 0 "[ . 1 . 2]" 1
312 1 14 LEU MD2 1 91 GLU QB . . 4.760 3.884 3.325 4.364 . 0 0 "[ . 1 . 2]" 1
313 1 14 LEU MD2 1 91 GLU QG . . 5.340 3.962 2.722 5.234 . 0 0 "[ . 1 . 2]" 1
314 1 14 LEU MD2 1 92 ALA HA . . 4.130 3.127 2.758 3.468 . 0 0 "[ . 1 . 2]" 1
315 1 14 LEU MD2 1 92 ALA MB . . 5.130 4.303 3.977 4.591 . 0 0 "[ . 1 . 2]" 1
316 1 14 LEU MD2 1 93 VAL H . . 4.050 2.887 2.531 3.180 . 0 0 "[ . 1 . 2]" 1
317 1 14 LEU MD2 1 93 VAL HB . . 4.720 4.338 4.182 4.576 . 0 0 "[ . 1 . 2]" 1
318 1 14 LEU HG 1 15 VAL H . . 4.100 3.661 3.415 3.973 . 0 0 "[ . 1 . 2]" 1
319 1 14 LEU HG 1 26 LEU MD1 . . 3.680 2.624 2.271 3.019 . 0 0 "[ . 1 . 2]" 1
320 1 14 LEU HG 1 28 TRP HB3 . . 4.680 4.211 3.773 4.471 . 0 0 "[ . 1 . 2]" 1
321 1 14 LEU HG 1 78 VAL MG2 . . 5.090 3.916 3.720 4.200 . 0 0 "[ . 1 . 2]" 1
322 1 14 LEU HG 1 93 VAL QG . . 3.480 2.313 2.118 2.632 . 0 0 "[ . 1 . 2]" 1
323 1 15 VAL H 1 15 VAL HB . . 3.380 3.124 2.954 3.181 . 0 0 "[ . 1 . 2]" 1
324 1 15 VAL H 1 15 VAL MG1 . . 4.150 4.007 3.972 4.034 . 0 0 "[ . 1 . 2]" 1
325 1 15 VAL H 1 15 VAL QG . . 3.350 2.575 2.449 2.823 . 0 0 "[ . 1 . 2]" 1
326 1 15 VAL H 1 15 VAL MG2 . . 4.150 2.608 2.471 2.888 . 0 0 "[ . 1 . 2]" 1
327 1 15 VAL H 1 16 VAL H . . 4.440 4.388 4.308 4.431 . 0 0 "[ . 1 . 2]" 1
328 1 15 VAL H 1 26 LEU HA . . 4.840 4.709 4.587 4.809 . 0 0 "[ . 1 . 2]" 1
329 1 15 VAL H 1 26 LEU MD1 . . 4.770 3.613 3.312 3.882 . 0 0 "[ . 1 . 2]" 1
330 1 15 VAL H 1 27 THR H . . 3.460 2.990 2.781 3.162 . 0 0 "[ . 1 . 2]" 1
331 1 15 VAL H 1 28 TRP HB2 . . 5.260 5.166 4.992 5.260 0.000 14 0 "[ . 1 . 2]" 1
332 1 15 VAL H 1 28 TRP HB3 . . 4.180 3.961 3.794 4.100 . 0 0 "[ . 1 . 2]" 1
333 1 15 VAL HA 1 15 VAL MG1 . . 3.710 2.104 2.025 2.283 . 0 0 "[ . 1 . 2]" 1
334 1 15 VAL HA 1 15 VAL QG . . 3.000 2.020 1.962 2.108 . 0 0 "[ . 1 . 2]" 1
335 1 15 VAL HA 1 15 VAL MG2 . . 3.710 2.624 2.434 2.683 . 0 0 "[ . 1 . 2]" 1
336 1 15 VAL HA 1 16 VAL H . . 2.630 2.336 2.219 2.467 . 0 0 "[ . 1 . 2]" 1
337 1 15 VAL HA 1 93 VAL MG1 . . 4.350 3.267 2.882 3.708 . 0 0 "[ . 1 . 2]" 1
338 1 15 VAL HA 1 93 VAL QG . . 3.750 3.086 2.741 3.432 . 0 0 "[ . 1 . 2]" 1
339 1 15 VAL HA 1 93 VAL MG2 . . 4.350 3.823 3.207 4.163 . 0 0 "[ . 1 . 2]" 1
340 1 15 VAL HB 1 16 VAL H . . 3.630 3.365 3.100 3.631 0.001 7 0 "[ . 1 . 2]" 1
341 1 15 VAL HB 1 27 THR H . . 4.770 4.568 4.452 4.716 . 0 0 "[ . 1 . 2]" 1
342 1 15 VAL HB 1 27 THR HB . . 5.500 5.357 5.075 5.501 0.001 1 0 "[ . 1 . 2]" 1
343 1 15 VAL QG 1 16 VAL H . . 3.070 2.064 1.862 2.281 . 0 0 "[ . 1 . 2]" 1
344 1 16 VAL H 1 16 VAL HB . . 3.260 2.727 2.420 3.224 . 0 0 "[ . 1 . 2]" 1
345 1 16 VAL H 1 16 VAL QG . . 3.420 2.356 1.831 2.748 . 0 0 "[ . 1 . 2]" 1
346 1 16 VAL H 1 26 LEU MD1 . . 4.810 3.778 2.999 4.279 . 0 0 "[ . 1 . 2]" 1
347 1 16 VAL H 1 93 VAL QG . . 4.410 4.122 3.713 4.410 0.000 9 0 "[ . 1 . 2]" 1
348 1 16 VAL H 1 95 ALA MB . . 4.960 4.811 4.465 4.962 0.002 4 0 "[ . 1 . 2]" 1
349 1 16 VAL HA 1 16 VAL MG1 . . 3.530 2.618 2.289 3.186 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL HA 1 16 VAL QG . . 3.000 2.190 2.036 2.426 . 0 0 "[ . 1 . 2]" 1
351 1 16 VAL HA 1 16 VAL MG2 . . 3.530 2.387 2.193 2.521 . 0 0 "[ . 1 . 2]" 1
352 1 16 VAL HA 1 17 THR H . . 2.780 2.170 2.145 2.231 . 0 0 "[ . 1 . 2]" 1
353 1 16 VAL HA 1 17 THR MG . . 4.400 3.847 3.540 4.168 . 0 0 "[ . 1 . 2]" 1
354 1 16 VAL HA 1 18 GLU H . . 4.320 3.968 3.669 4.265 . 0 0 "[ . 1 . 2]" 1
355 1 16 VAL HA 1 25 THR HB . . 5.210 4.664 4.401 4.845 . 0 0 "[ . 1 . 2]" 1
356 1 16 VAL HA 1 25 THR MG . . 5.150 4.470 4.121 4.830 . 0 0 "[ . 1 . 2]" 1
357 1 16 VAL HA 1 26 LEU H . . 5.500 4.968 4.637 5.259 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL HA 1 26 LEU HA . . 3.480 2.493 1.997 2.777 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL HA 1 26 LEU QB . . 5.010 4.468 3.947 4.723 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL HA 1 26 LEU MD1 . . 3.430 2.853 2.411 3.061 . 0 0 "[ . 1 . 2]" 1
361 1 16 VAL HA 1 27 THR H . . 3.910 3.283 2.854 3.532 . 0 0 "[ . 1 . 2]" 1
362 1 16 VAL HA 1 27 THR MG . . 5.410 4.021 3.053 4.539 . 0 0 "[ . 1 . 2]" 1
363 1 16 VAL HB 1 17 THR H . . 4.460 4.068 3.924 4.321 . 0 0 "[ . 1 . 2]" 1
364 1 16 VAL HB 1 19 THR MG . . 4.630 3.718 3.464 4.042 . 0 0 "[ . 1 . 2]" 1
365 1 16 VAL HB 1 24 VAL QG . . 5.090 3.964 2.902 4.638 . 0 0 "[ . 1 . 2]" 1
366 1 16 VAL HB 1 26 LEU MD1 . . 5.410 3.718 1.960 4.593 . 0 0 "[ . 1 . 2]" 1
367 1 16 VAL HB 1 93 VAL QG . . 5.010 4.621 3.745 4.998 . 0 0 "[ . 1 . 2]" 1
368 1 16 VAL QG 1 17 THR H . . 3.270 2.356 2.083 2.937 . 0 0 "[ . 1 . 2]" 1
369 1 16 VAL QG 1 17 THR HA . . 4.090 3.666 3.481 4.027 . 0 0 "[ . 1 . 2]" 1
370 1 16 VAL QG 1 17 THR HB . . 5.080 4.545 4.400 4.898 . 0 0 "[ . 1 . 2]" 1
371 1 16 VAL QG 1 18 GLU H . . 3.470 2.463 2.000 3.063 . 0 0 "[ . 1 . 2]" 1
372 1 16 VAL QG 1 19 THR H . . 4.830 4.185 4.005 4.462 . 0 0 "[ . 1 . 2]" 1
373 1 16 VAL QG 1 19 THR MG . . 2.790 1.867 1.756 2.009 . 0 0 "[ . 1 . 2]" 1
374 1 16 VAL QG 1 24 VAL HB . . 4.420 4.113 3.902 4.361 . 0 0 "[ . 1 . 2]" 1
375 1 16 VAL QG 1 24 VAL QG . . 2.950 2.029 1.746 2.310 . 0 0 "[ . 1 . 2]" 1
376 1 16 VAL QG 1 25 THR H . . 3.890 2.762 2.449 3.008 . 0 0 "[ . 1 . 2]" 1
377 1 16 VAL QG 1 25 THR HB . . 4.680 3.365 3.095 3.655 . 0 0 "[ . 1 . 2]" 1
378 1 16 VAL QG 1 26 LEU QB . . 4.220 3.794 3.293 4.127 . 0 0 "[ . 1 . 2]" 1
379 1 16 VAL QG 1 26 LEU MD1 . . 2.910 2.260 1.922 2.788 . 0 0 "[ . 1 . 2]" 1
380 1 16 VAL QG 1 26 LEU HG . . 4.730 4.354 4.001 4.733 0.003 15 0 "[ . 1 . 2]" 1
381 1 16 VAL QG 1 27 THR H . . 5.230 4.174 3.875 4.683 . 0 0 "[ . 1 . 2]" 1
382 1 16 VAL QG 1 76 PHE QD . . 4.310 3.725 3.186 4.310 0.000 13 0 "[ . 1 . 2]" 1
383 1 16 VAL QG 1 76 PHE QE . . 4.730 3.921 3.530 4.427 . 0 0 "[ . 1 . 2]" 1
384 1 16 VAL QG 1 93 VAL HB . . 4.450 3.768 3.002 4.219 . 0 0 "[ . 1 . 2]" 1
385 1 16 VAL QG 1 95 ALA H . . 4.760 4.503 4.199 4.762 0.002 15 0 "[ . 1 . 2]" 1
386 1 16 VAL QG 1 95 ALA MB . . 2.680 1.980 1.850 2.166 . 0 0 "[ . 1 . 2]" 1
387 1 16 VAL MG1 1 26 LEU HA . . 4.440 3.911 3.464 4.448 0.008 13 0 "[ . 1 . 2]" 1
388 1 16 VAL MG1 1 26 LEU QB . . 4.920 4.729 4.336 4.925 0.005 20 0 "[ . 1 . 2]" 1
389 1 16 VAL MG1 1 95 ALA MB . . 3.200 2.554 1.873 3.098 . 0 0 "[ . 1 . 2]" 1
390 1 16 VAL MG2 1 26 LEU HA . . 4.440 3.272 2.731 3.646 . 0 0 "[ . 1 . 2]" 1
391 1 16 VAL MG2 1 26 LEU QB . . 4.920 4.017 3.361 4.430 . 0 0 "[ . 1 . 2]" 1
392 1 16 VAL MG2 1 95 ALA MB . . 3.200 2.322 1.880 3.193 . 0 0 "[ . 1 . 2]" 1
393 1 17 THR H 1 17 THR HB . . 3.840 2.823 2.685 3.064 . 0 0 "[ . 1 . 2]" 1
394 1 17 THR H 1 17 THR MG . . 3.360 2.049 1.887 2.370 . 0 0 "[ . 1 . 2]" 1
395 1 17 THR H 1 18 GLU H . . 2.860 2.181 1.909 2.535 . 0 0 "[ . 1 . 2]" 1
396 1 17 THR H 1 18 GLU HA . . 5.310 4.830 4.589 5.078 . 0 0 "[ . 1 . 2]" 1
397 1 17 THR H 1 18 GLU QB . . 5.190 4.414 4.154 4.805 . 0 0 "[ . 1 . 2]" 1
398 1 17 THR H 1 18 GLU QG . . 5.160 4.897 4.629 5.079 . 0 0 "[ . 1 . 2]" 1
399 1 17 THR H 1 24 VAL QG . . 5.380 4.611 4.368 4.926 . 0 0 "[ . 1 . 2]" 1
400 1 17 THR H 1 25 THR MG . . 4.460 3.371 2.895 3.672 . 0 0 "[ . 1 . 2]" 1
401 1 17 THR H 1 26 LEU HA . . 3.940 3.665 3.342 3.835 . 0 0 "[ . 1 . 2]" 1
402 1 17 THR H 1 26 LEU MD1 . . 4.900 4.583 4.302 4.806 . 0 0 "[ . 1 . 2]" 1
403 1 17 THR HA 1 17 THR MG . . 3.210 3.198 3.178 3.208 . 0 0 "[ . 1 . 2]" 1
404 1 17 THR HB 1 18 GLU H . . 4.040 3.866 3.748 4.023 . 0 0 "[ . 1 . 2]" 1
405 1 17 THR HB 1 18 GLU QB . . 5.500 5.287 5.044 5.451 . 0 0 "[ . 1 . 2]" 1
406 1 17 THR HB 1 18 GLU QG . . 5.020 4.748 4.466 5.003 . 0 0 "[ . 1 . 2]" 1
407 1 17 THR HB 1 25 THR MG . . 4.270 3.983 3.402 4.268 . 0 0 "[ . 1 . 2]" 1
408 1 17 THR MG 1 18 GLU H . . 4.120 1.969 1.762 2.332 . 0 0 "[ . 1 . 2]" 1
409 1 17 THR MG 1 18 GLU QB . . 3.770 2.552 2.406 2.774 . 0 0 "[ . 1 . 2]" 1
410 1 17 THR MG 1 18 GLU QG . . 3.990 2.295 1.971 2.814 . 0 0 "[ . 1 . 2]" 1
411 1 17 THR MG 1 19 THR H . . 5.500 5.323 5.210 5.440 . 0 0 "[ . 1 . 2]" 1
412 1 17 THR MG 1 25 THR HB . . 4.560 2.224 1.970 2.568 . 0 0 "[ . 1 . 2]" 1
413 1 17 THR MG 1 26 LEU HA . . 4.710 4.365 3.890 4.696 . 0 0 "[ . 1 . 2]" 1
414 1 18 GLU H 1 18 GLU QB . . 3.640 2.530 2.390 2.709 . 0 0 "[ . 1 . 2]" 1
415 1 18 GLU H 1 18 GLU QG . . 4.150 3.327 3.015 3.589 . 0 0 "[ . 1 . 2]" 1
416 1 18 GLU H 1 19 THR H . . 4.510 4.425 4.309 4.505 . 0 0 "[ . 1 . 2]" 1
417 1 18 GLU H 1 19 THR MG . . 4.650 4.315 4.076 4.563 . 0 0 "[ . 1 . 2]" 1
418 1 18 GLU H 1 24 VAL QG . . 4.900 4.210 3.867 4.514 . 0 0 "[ . 1 . 2]" 1
419 1 18 GLU H 1 25 THR H . . 3.710 3.423 3.167 3.603 . 0 0 "[ . 1 . 2]" 1
420 1 18 GLU H 1 25 THR HA . . 5.100 4.797 4.672 5.047 . 0 0 "[ . 1 . 2]" 1
421 1 18 GLU H 1 25 THR HB . . 3.470 1.996 1.897 2.367 . 0 0 "[ . 1 . 2]" 1
422 1 18 GLU H 1 25 THR MG . . 4.330 3.270 3.020 3.490 . 0 0 "[ . 1 . 2]" 1
423 1 18 GLU H 1 26 LEU HA . . 5.500 5.088 4.896 5.224 . 0 0 "[ . 1 . 2]" 1
424 1 18 GLU HA 1 19 THR H . . 2.690 2.250 2.218 2.285 . 0 0 "[ . 1 . 2]" 1
425 1 18 GLU HA 1 19 THR MG . . 4.850 4.251 4.149 4.340 . 0 0 "[ . 1 . 2]" 1
426 1 18 GLU HA 1 25 THR H . . 5.500 4.871 4.768 4.954 . 0 0 "[ . 1 . 2]" 1
427 1 18 GLU QB 1 18 GLU QG . . 2.460 2.071 2.017 2.085 . 0 0 "[ . 1 . 2]" 1
428 1 18 GLU QB 1 19 THR H . . 3.410 2.822 2.688 2.962 . 0 0 "[ . 1 . 2]" 1
429 1 18 GLU QB 1 25 THR H . . 4.070 3.551 3.442 3.736 . 0 0 "[ . 1 . 2]" 1
430 1 18 GLU QB 1 25 THR HB . . 3.190 2.157 1.982 2.477 . 0 0 "[ . 1 . 2]" 1
431 1 18 GLU QG 1 19 THR H . . 4.070 3.727 3.448 4.073 0.003 1 0 "[ . 1 . 2]" 1
432 1 18 GLU QG 1 25 THR HB . . 4.100 3.850 3.558 3.988 . 0 0 "[ . 1 . 2]" 1
433 1 18 GLU QG 1 25 THR MG . . 4.440 4.010 3.659 4.363 . 0 0 "[ . 1 . 2]" 1
434 1 19 THR H 1 19 THR HB . . 3.870 3.717 3.697 3.748 . 0 0 "[ . 1 . 2]" 1
435 1 19 THR H 1 19 THR MG . . 3.710 3.522 3.466 3.557 . 0 0 "[ . 1 . 2]" 1
436 1 19 THR H 1 20 THR H . . 4.260 4.045 4.012 4.233 . 0 0 "[ . 1 . 2]" 1
437 1 19 THR H 1 20 THR MG . . 5.500 5.534 5.515 5.546 0.046 15 0 "[ . 1 . 2]" 1
438 1 19 THR H 1 25 THR H . . 4.790 4.756 4.680 4.805 0.015 18 0 "[ . 1 . 2]" 1
439 1 19 THR HA 1 19 THR MG . . 3.550 2.024 1.992 2.076 . 0 0 "[ . 1 . 2]" 1
440 1 19 THR HA 1 20 THR H . . 2.870 2.149 2.141 2.153 . 0 0 "[ . 1 . 2]" 1
441 1 19 THR HA 1 20 THR MG . . 5.500 5.363 5.303 5.381 . 0 0 "[ . 1 . 2]" 1
442 1 19 THR HA 1 23 SER H . . 5.500 5.416 5.294 5.502 0.002 6 0 "[ . 1 . 2]" 1
443 1 19 THR HA 1 24 VAL HA . . 4.030 2.207 2.154 2.268 . 0 0 "[ . 1 . 2]" 1
444 1 19 THR HA 1 24 VAL MG1 . . 4.610 3.534 2.452 4.612 0.002 19 0 "[ . 1 . 2]" 1
445 1 19 THR HA 1 24 VAL MG2 . . 4.610 2.876 2.272 3.358 . 0 0 "[ . 1 . 2]" 1
446 1 19 THR HB 1 20 THR H . . 3.980 3.636 3.309 3.695 . 0 0 "[ . 1 . 2]" 1
447 1 19 THR HB 1 24 VAL QG . . 4.810 3.751 3.147 4.408 . 0 0 "[ . 1 . 2]" 1
448 1 19 THR HB 1 97 THR HA . . 3.910 2.745 2.349 3.092 . 0 0 "[ . 1 . 2]" 1
449 1 19 THR HB 1 97 THR MG . . 4.650 4.297 4.006 4.634 . 0 0 "[ . 1 . 2]" 1
450 1 19 THR HB 1 98 GLY H . . 4.130 3.240 2.777 3.642 . 0 0 "[ . 1 . 2]" 1
451 1 19 THR MG 1 20 THR H . . 4.120 3.727 3.594 3.809 . 0 0 "[ . 1 . 2]" 1
452 1 19 THR MG 1 24 VAL H . . 5.500 5.498 5.392 5.511 0.011 18 0 "[ . 1 . 2]" 1
453 1 19 THR MG 1 24 VAL HA . . 4.140 3.143 2.997 3.280 . 0 0 "[ . 1 . 2]" 1
454 1 19 THR MG 1 24 VAL QG . . 3.730 1.949 1.765 2.220 . 0 0 "[ . 1 . 2]" 1
455 1 19 THR MG 1 97 THR HA . . 3.810 3.208 2.908 3.556 . 0 0 "[ . 1 . 2]" 1
456 1 19 THR MG 1 98 GLY H . . 5.150 4.516 4.236 4.930 . 0 0 "[ . 1 . 2]" 1
457 1 20 THR H 1 20 THR MG . . 3.970 3.806 3.778 3.881 . 0 0 "[ . 1 . 2]" 1
458 1 20 THR H 1 21 ALA H . . 4.690 4.551 4.481 4.576 . 0 0 "[ . 1 . 2]" 1
459 1 20 THR H 1 22 THR H . . 5.460 4.960 4.792 5.334 . 0 0 "[ . 1 . 2]" 1
460 1 20 THR H 1 23 SER H . . 3.800 3.496 3.403 3.618 . 0 0 "[ . 1 . 2]" 1
461 1 20 THR H 1 24 VAL HA . . 3.080 2.455 2.303 2.642 . 0 0 "[ . 1 . 2]" 1
462 1 20 THR H 1 24 VAL HB . . 5.280 4.424 3.591 5.221 . 0 0 "[ . 1 . 2]" 1
463 1 20 THR H 1 24 VAL MG1 . . 4.790 4.244 3.826 4.635 . 0 0 "[ . 1 . 2]" 1
464 1 20 THR H 1 24 VAL MG2 . . 4.790 3.483 2.606 4.354 . 0 0 "[ . 1 . 2]" 1
465 1 20 THR H 1 97 THR HA . . 5.250 4.636 4.414 4.804 . 0 0 "[ . 1 . 2]" 1
466 1 20 THR H 1 97 THR HB . . 5.500 4.742 4.393 5.008 . 0 0 "[ . 1 . 2]" 1
467 1 20 THR H 1 98 GLY H . . 4.960 4.557 4.265 4.892 . 0 0 "[ . 1 . 2]" 1
468 1 20 THR HB 1 21 ALA H . . 3.290 3.149 2.915 3.296 0.006 14 0 "[ . 1 . 2]" 1
469 1 20 THR HB 1 21 ALA MB . . 4.470 4.395 4.244 4.476 0.006 8 0 "[ . 1 . 2]" 1
470 1 20 THR HB 1 22 THR H . . 3.950 2.642 2.505 3.059 . 0 0 "[ . 1 . 2]" 1
471 1 20 THR HB 1 23 SER H . . 4.120 2.063 1.910 2.310 . 0 0 "[ . 1 . 2]" 1
472 1 20 THR MG 1 21 ALA H . . 3.880 2.071 1.912 2.190 . 0 0 "[ . 1 . 2]" 1
473 1 20 THR MG 1 21 ALA HA . . 5.160 4.356 4.271 4.420 . 0 0 "[ . 1 . 2]" 1
474 1 20 THR MG 1 21 ALA MB . . 3.540 3.142 3.029 3.225 . 0 0 "[ . 1 . 2]" 1
475 1 20 THR MG 1 22 THR H . . 3.750 2.616 2.495 2.736 . 0 0 "[ . 1 . 2]" 1
476 1 20 THR MG 1 23 SER H . . 3.790 3.493 3.356 3.672 . 0 0 "[ . 1 . 2]" 1
477 1 20 THR MG 1 23 SER HB2 . . 5.110 3.180 3.039 3.383 . 0 0 "[ . 1 . 2]" 1
478 1 20 THR MG 1 23 SER QB . . 4.440 3.121 2.971 3.314 . 0 0 "[ . 1 . 2]" 1
479 1 20 THR MG 1 23 SER HB3 . . 5.110 4.551 4.184 4.742 . 0 0 "[ . 1 . 2]" 1
480 1 21 ALA H 1 21 ALA MB . . 3.070 2.143 2.024 2.225 . 0 0 "[ . 1 . 2]" 1
481 1 21 ALA H 1 22 THR H . . 3.610 2.689 2.547 2.916 . 0 0 "[ . 1 . 2]" 1
482 1 21 ALA H 1 23 SER H . . 4.290 3.835 3.665 3.956 . 0 0 "[ . 1 . 2]" 1
483 1 21 ALA H 1 98 GLY H . . 5.080 4.208 3.809 4.465 . 0 0 "[ . 1 . 2]" 1
484 1 21 ALA HA 1 22 THR MG . . 5.500 4.235 4.065 4.364 . 0 0 "[ . 1 . 2]" 1
485 1 21 ALA HA 1 23 SER H . . 5.100 4.261 4.197 4.315 . 0 0 "[ . 1 . 2]" 1
486 1 21 ALA HA 1 70 PRO HA . . 4.460 2.884 2.487 3.178 . 0 0 "[ . 1 . 2]" 1
487 1 21 ALA HA 1 70 PRO HB3 . . 4.810 3.537 3.204 3.821 . 0 0 "[ . 1 . 2]" 1
488 1 21 ALA HA 1 71 PHE H . . 4.550 3.651 3.321 4.014 . 0 0 "[ . 1 . 2]" 1
489 1 21 ALA HA 1 97 THR MG . . 5.500 4.375 3.605 4.789 . 0 0 "[ . 1 . 2]" 1
490 1 21 ALA HA 1 98 GLY H . . 3.580 2.887 2.590 3.104 . 0 0 "[ . 1 . 2]" 1
491 1 21 ALA HA 1 98 GLY HA2 . . 4.680 4.422 4.022 4.645 . 0 0 "[ . 1 . 2]" 1
492 1 21 ALA HA 1 98 GLY HA3 . . 4.030 3.488 2.950 4.037 0.007 14 0 "[ . 1 . 2]" 1
493 1 21 ALA MB 1 22 THR H . . 3.420 2.740 2.530 2.886 . 0 0 "[ . 1 . 2]" 1
494 1 21 ALA MB 1 22 THR HA . . 4.530 4.103 3.979 4.170 . 0 0 "[ . 1 . 2]" 1
495 1 21 ALA MB 1 22 THR MG . . 3.680 2.607 2.350 2.877 . 0 0 "[ . 1 . 2]" 1
496 1 21 ALA MB 1 23 SER H . . 4.420 4.358 4.265 4.422 0.002 18 0 "[ . 1 . 2]" 1
497 1 21 ALA MB 1 70 PRO HA . . 4.270 3.109 2.657 3.461 . 0 0 "[ . 1 . 2]" 1
498 1 21 ALA MB 1 70 PRO HB3 . . 3.610 2.086 1.897 2.323 . 0 0 "[ . 1 . 2]" 1
499 1 21 ALA MB 1 70 PRO HG2 . . 4.980 4.714 4.395 4.912 . 0 0 "[ . 1 . 2]" 1
500 1 21 ALA MB 1 70 PRO HG3 . . 3.980 3.820 3.545 3.981 0.001 2 0 "[ . 1 . 2]" 1
501 1 21 ALA MB 1 71 PHE H . . 4.850 4.225 3.757 4.660 . 0 0 "[ . 1 . 2]" 1
502 1 21 ALA MB 1 98 GLY H . . 4.530 4.229 3.912 4.422 . 0 0 "[ . 1 . 2]" 1
503 1 21 ALA MB 1 98 GLY HA2 . . 5.360 4.914 4.587 5.214 . 0 0 "[ . 1 . 2]" 1
504 1 21 ALA MB 1 98 GLY HA3 . . 4.470 3.887 3.420 4.274 . 0 0 "[ . 1 . 2]" 1
505 1 21 ALA MB 1 99 GLU H . . 5.290 4.322 3.976 4.777 . 0 0 "[ . 1 . 2]" 1
506 1 21 ALA MB 1 100 GLN HA . . 4.250 3.906 2.724 4.243 . 0 0 "[ . 1 . 2]" 1
507 1 21 ALA MB 1 100 GLN HB2 . . 4.500 2.335 1.771 3.418 . 0 0 "[ . 1 . 2]" 1
508 1 21 ALA MB 1 100 GLN QB . . 3.670 2.067 1.759 2.361 . 0 0 "[ . 1 . 2]" 1
509 1 21 ALA MB 1 100 GLN HB3 . . 4.500 2.725 1.989 3.589 . 0 0 "[ . 1 . 2]" 1
510 1 21 ALA MB 1 100 GLN QG . . 4.180 3.433 2.411 4.014 . 0 0 "[ . 1 . 2]" 1
511 1 22 THR H 1 22 THR MG . . 4.050 2.871 2.502 3.138 . 0 0 "[ . 1 . 2]" 1
512 1 22 THR H 1 23 SER H . . 2.830 2.229 2.058 2.540 . 0 0 "[ . 1 . 2]" 1
513 1 22 THR H 1 23 SER HA . . 4.910 4.737 4.657 4.923 0.013 14 0 "[ . 1 . 2]" 1
514 1 22 THR H 1 23 SER QB . . 4.590 4.053 3.630 4.343 . 0 0 "[ . 1 . 2]" 1
515 1 22 THR HA 1 22 THR MG . . 3.390 2.370 2.210 2.520 . 0 0 "[ . 1 . 2]" 1
516 1 22 THR HA 1 68 LEU H . . 3.690 3.192 2.778 3.428 . 0 0 "[ . 1 . 2]" 1
517 1 22 THR HA 1 68 LEU HB2 . . 4.930 2.929 2.512 3.272 . 0 0 "[ . 1 . 2]" 1
518 1 22 THR HA 1 68 LEU QB . . 4.090 2.889 2.486 3.218 . 0 0 "[ . 1 . 2]" 1
519 1 22 THR HA 1 68 LEU HB3 . . 4.930 4.402 3.953 4.777 . 0 0 "[ . 1 . 2]" 1
520 1 22 THR HA 1 68 LEU MD1 . . 4.860 4.393 4.067 4.636 . 0 0 "[ . 1 . 2]" 1
521 1 22 THR HA 1 97 THR MG . . 4.230 4.058 3.376 4.232 0.002 20 0 "[ . 1 . 2]" 1
522 1 22 THR HB 1 67 GLY H . . 3.820 3.315 3.045 3.527 . 0 0 "[ . 1 . 2]" 1
523 1 22 THR HB 1 68 LEU H . . 3.530 3.176 2.492 3.531 0.001 16 0 "[ . 1 . 2]" 1
524 1 22 THR MG 1 67 GLY H . . 5.420 4.791 4.604 5.006 . 0 0 "[ . 1 . 2]" 1
525 1 22 THR MG 1 68 LEU H . . 4.560 4.218 3.749 4.540 . 0 0 "[ . 1 . 2]" 1
526 1 22 THR MG 1 70 PRO HB3 . . 4.430 3.438 3.289 3.693 . 0 0 "[ . 1 . 2]" 1
527 1 22 THR MG 1 70 PRO HD2 . . 4.290 4.045 3.753 4.226 . 0 0 "[ . 1 . 2]" 1
528 1 22 THR MG 1 70 PRO QD . . 3.640 2.540 2.284 2.705 . 0 0 "[ . 1 . 2]" 1
529 1 22 THR MG 1 70 PRO HD3 . . 4.290 2.567 2.304 2.737 . 0 0 "[ . 1 . 2]" 1
530 1 22 THR MG 1 70 PRO HG2 . . 5.250 4.877 4.713 5.073 . 0 0 "[ . 1 . 2]" 1
531 1 22 THR MG 1 70 PRO HG3 . . 4.040 3.801 3.600 4.003 . 0 0 "[ . 1 . 2]" 1
532 1 23 SER H 1 23 SER QB . . 3.540 2.968 2.704 3.120 . 0 0 "[ . 1 . 2]" 1
533 1 23 SER H 1 24 VAL H . . 4.440 4.387 4.366 4.412 . 0 0 "[ . 1 . 2]" 1
534 1 23 SER H 1 24 VAL HA . . 4.990 4.810 4.763 4.849 . 0 0 "[ . 1 . 2]" 1
535 1 23 SER H 1 24 VAL QG . . 4.770 4.006 3.474 4.651 . 0 0 "[ . 1 . 2]" 1
536 1 23 SER H 1 68 LEU QB . . 5.340 4.123 3.684 4.438 . 0 0 "[ . 1 . 2]" 1
537 1 23 SER H 1 97 THR HB . . 5.350 3.897 3.676 4.084 . 0 0 "[ . 1 . 2]" 1
538 1 23 SER H 1 97 THR MG . . 4.140 3.710 2.935 4.045 . 0 0 "[ . 1 . 2]" 1
539 1 23 SER HA 1 24 VAL H . . 2.870 2.455 2.397 2.509 . 0 0 "[ . 1 . 2]" 1
540 1 23 SER HA 1 24 VAL HB . . 4.940 4.552 4.349 4.683 . 0 0 "[ . 1 . 2]" 1
541 1 23 SER HA 1 24 VAL QG . . 4.720 3.249 3.037 3.471 . 0 0 "[ . 1 . 2]" 1
542 1 23 SER HA 1 65 ILE H . . 5.280 4.822 4.690 5.045 . 0 0 "[ . 1 . 2]" 1
543 1 23 SER HA 1 65 ILE MG . . 4.520 4.219 3.844 4.520 . 0 0 "[ . 1 . 2]" 1
544 1 23 SER HA 1 66 GLY QA . . 4.060 2.171 1.989 2.397 . 0 0 "[ . 1 . 2]" 1
545 1 23 SER HA 1 67 GLY H . . 4.440 3.875 3.642 4.080 . 0 0 "[ . 1 . 2]" 1
546 1 23 SER HA 1 68 LEU H . . 4.220 4.033 3.696 4.173 . 0 0 "[ . 1 . 2]" 1
547 1 23 SER HA 1 68 LEU MD1 . . 3.630 3.160 2.895 3.410 . 0 0 "[ . 1 . 2]" 1
548 1 23 SER HA 1 68 LEU HG . . 4.120 3.845 3.628 4.062 . 0 0 "[ . 1 . 2]" 1
549 1 23 SER HA 1 97 THR MG . . 4.640 4.522 4.344 4.643 0.003 4 0 "[ . 1 . 2]" 1
550 1 23 SER QB 1 24 VAL H . . 3.140 2.374 2.255 2.522 . 0 0 "[ . 1 . 2]" 1
551 1 23 SER QB 1 65 ILE H . . 4.610 4.522 4.229 4.614 0.004 2 0 "[ . 1 . 2]" 1
552 1 23 SER HB2 1 24 VAL H . . 3.860 3.317 3.020 3.725 . 0 0 "[ . 1 . 2]" 1
553 1 23 SER HB3 1 24 VAL H . . 3.860 2.441 2.274 2.635 . 0 0 "[ . 1 . 2]" 1
554 1 24 VAL H 1 24 VAL HB . . 3.900 3.278 2.952 3.624 . 0 0 "[ . 1 . 2]" 1
555 1 24 VAL H 1 24 VAL MG1 . . 4.240 3.176 2.122 4.018 . 0 0 "[ . 1 . 2]" 1
556 1 24 VAL H 1 24 VAL QG . . 3.480 2.592 2.112 3.116 . 0 0 "[ . 1 . 2]" 1
557 1 24 VAL H 1 24 VAL MG2 . . 4.240 3.409 2.822 3.904 . 0 0 "[ . 1 . 2]" 1
558 1 24 VAL H 1 25 THR H . . 4.820 4.329 4.304 4.356 . 0 0 "[ . 1 . 2]" 1
559 1 24 VAL H 1 64 SER HA . . 4.650 4.352 4.246 4.482 . 0 0 "[ . 1 . 2]" 1
560 1 24 VAL H 1 65 ILE H . . 3.570 2.901 2.788 3.074 . 0 0 "[ . 1 . 2]" 1
561 1 24 VAL H 1 65 ILE HB . . 3.900 3.670 3.380 3.904 0.004 20 0 "[ . 1 . 2]" 1
562 1 24 VAL H 1 65 ILE MG . . 4.690 4.406 4.116 4.686 . 0 0 "[ . 1 . 2]" 1
563 1 24 VAL H 1 68 LEU MD1 . . 3.930 3.860 3.648 3.932 0.002 8 0 "[ . 1 . 2]" 1
564 1 24 VAL H 1 68 LEU HG . . 5.500 5.395 5.186 5.502 0.002 15 0 "[ . 1 . 2]" 1
565 1 24 VAL H 1 76 PHE QE . . 5.500 5.453 5.050 5.504 0.004 19 0 "[ . 1 . 2]" 1
566 1 24 VAL H 1 97 THR MG . . 5.500 5.183 5.052 5.299 . 0 0 "[ . 1 . 2]" 1
567 1 24 VAL HA 1 24 VAL MG1 . . 3.450 2.677 2.184 3.178 . 0 0 "[ . 1 . 2]" 1
568 1 24 VAL HA 1 24 VAL QG . . 3.000 2.211 2.054 2.404 . 0 0 "[ . 1 . 2]" 1
569 1 24 VAL HA 1 24 VAL MG2 . . 3.450 2.429 2.257 2.510 . 0 0 "[ . 1 . 2]" 1
570 1 24 VAL HA 1 25 THR H . . 2.840 2.286 2.239 2.344 . 0 0 "[ . 1 . 2]" 1
571 1 24 VAL HA 1 25 THR HB . . 5.500 4.670 4.503 4.816 . 0 0 "[ . 1 . 2]" 1
572 1 24 VAL HB 1 25 THR H . . 3.750 3.750 3.732 3.757 0.007 19 0 "[ . 1 . 2]" 1
573 1 24 VAL HB 1 65 ILE H . . 4.810 4.085 3.354 4.840 0.030 20 0 "[ . 1 . 2]" 1
574 1 24 VAL HB 1 65 ILE HB . . 5.430 3.614 2.754 4.554 . 0 0 "[ . 1 . 2]" 1
575 1 24 VAL HB 1 68 LEU MD1 . . 3.940 3.292 2.880 3.519 . 0 0 "[ . 1 . 2]" 1
576 1 24 VAL HB 1 76 PHE QE . . 4.610 3.712 3.184 4.175 . 0 0 "[ . 1 . 2]" 1
577 1 24 VAL HB 1 76 PHE HZ . . 4.130 3.137 2.528 3.575 . 0 0 "[ . 1 . 2]" 1
578 1 24 VAL HB 1 97 THR MG . . 4.820 3.883 2.971 4.750 . 0 0 "[ . 1 . 2]" 1
579 1 24 VAL QG 1 25 THR H . . 3.250 1.901 1.824 2.010 . 0 0 "[ . 1 . 2]" 1
580 1 24 VAL QG 1 25 THR HB . . 4.890 3.989 3.881 4.095 . 0 0 "[ . 1 . 2]" 1
581 1 24 VAL QG 1 65 ILE H . . 4.110 3.149 2.040 4.037 . 0 0 "[ . 1 . 2]" 1
582 1 24 VAL QG 1 65 ILE HB . . 3.760 2.757 1.816 3.694 . 0 0 "[ . 1 . 2]" 1
583 1 24 VAL QG 1 65 ILE MD . . 3.470 2.751 1.924 3.359 . 0 0 "[ . 1 . 2]" 1
584 1 24 VAL QG 1 68 LEU MD1 . . 3.120 1.982 1.798 2.330 . 0 0 "[ . 1 . 2]" 1
585 1 24 VAL QG 1 68 LEU MD2 . . 4.680 4.007 3.593 4.439 . 0 0 "[ . 1 . 2]" 1
586 1 24 VAL QG 1 76 PHE QD . . 4.070 3.503 3.240 3.921 . 0 0 "[ . 1 . 2]" 1
587 1 24 VAL QG 1 76 PHE QE . . 3.180 2.411 2.169 2.910 . 0 0 "[ . 1 . 2]" 1
588 1 24 VAL QG 1 76 PHE HZ . . 3.300 2.153 1.877 2.708 . 0 0 "[ . 1 . 2]" 1
589 1 24 VAL QG 1 95 ALA MB . . 3.060 2.610 2.307 2.918 . 0 0 "[ . 1 . 2]" 1
590 1 24 VAL QG 1 97 THR H . . 5.340 4.737 4.151 5.345 0.005 8 0 "[ . 1 . 2]" 1
591 1 24 VAL QG 1 97 THR HA . . 4.780 3.909 3.165 4.686 . 0 0 "[ . 1 . 2]" 1
592 1 24 VAL QG 1 97 THR HB . . 5.440 4.278 3.424 5.075 . 0 0 "[ . 1 . 2]" 1
593 1 24 VAL QG 1 97 THR MG . . 3.120 2.627 2.088 3.123 0.003 20 0 "[ . 1 . 2]" 1
594 1 24 VAL MG1 1 25 THR H . . 4.060 2.794 1.829 4.014 . 0 0 "[ . 1 . 2]" 1
595 1 24 VAL MG1 1 65 ILE H . . 5.010 3.352 2.049 4.560 . 0 0 "[ . 1 . 2]" 1
596 1 24 VAL MG1 1 65 ILE HB . . 4.360 3.171 1.820 4.363 0.003 2 0 "[ . 1 . 2]" 1
597 1 24 VAL MG1 1 76 PHE QD . . 4.930 3.747 3.454 4.128 . 0 0 "[ . 1 . 2]" 1
598 1 24 VAL MG1 1 76 PHE QE . . 3.700 2.610 2.233 3.253 . 0 0 "[ . 1 . 2]" 1
599 1 24 VAL MG1 1 76 PHE HZ . . 4.020 2.753 1.890 3.626 . 0 0 "[ . 1 . 2]" 1
600 1 24 VAL MG1 1 97 THR MG . . 4.500 3.650 3.160 4.353 . 0 0 "[ . 1 . 2]" 1
601 1 24 VAL MG2 1 25 THR H . . 4.060 3.006 1.866 4.049 . 0 0 "[ . 1 . 2]" 1
602 1 24 VAL MG2 1 65 ILE H . . 5.010 4.152 3.502 4.961 . 0 0 "[ . 1 . 2]" 1
603 1 24 VAL MG2 1 65 ILE HB . . 4.360 3.813 3.437 4.141 . 0 0 "[ . 1 . 2]" 1
604 1 24 VAL MG2 1 76 PHE QD . . 4.930 4.277 3.695 4.890 . 0 0 "[ . 1 . 2]" 1
605 1 24 VAL MG2 1 76 PHE QE . . 3.700 2.903 2.441 3.279 . 0 0 "[ . 1 . 2]" 1
606 1 24 VAL MG2 1 76 PHE HZ . . 4.020 2.728 2.072 3.527 . 0 0 "[ . 1 . 2]" 1
607 1 24 VAL MG2 1 97 THR MG . . 4.500 3.046 2.100 4.072 . 0 0 "[ . 1 . 2]" 1
608 1 25 THR H 1 25 THR HB . . 3.230 2.664 2.538 2.787 . 0 0 "[ . 1 . 2]" 1
609 1 25 THR H 1 25 THR MG . . 4.100 3.865 3.795 3.904 . 0 0 "[ . 1 . 2]" 1
610 1 25 THR H 1 64 SER HA . . 5.210 4.711 4.522 4.940 . 0 0 "[ . 1 . 2]" 1
611 1 25 THR HA 1 26 LEU H . . 3.070 2.165 2.143 2.237 . 0 0 "[ . 1 . 2]" 1
612 1 25 THR HA 1 26 LEU QB . . 5.060 4.012 3.921 4.111 . 0 0 "[ . 1 . 2]" 1
613 1 25 THR HA 1 64 SER H . . 5.110 4.724 4.461 4.968 . 0 0 "[ . 1 . 2]" 1
614 1 25 THR HA 1 64 SER HA . . 3.960 2.236 2.045 2.414 . 0 0 "[ . 1 . 2]" 1
615 1 25 THR HA 1 65 ILE H . . 4.780 3.573 3.228 3.824 . 0 0 "[ . 1 . 2]" 1
616 1 25 THR HB 1 26 LEU H . . 4.690 4.150 3.854 4.332 . 0 0 "[ . 1 . 2]" 1
617 1 25 THR MG 1 26 LEU H . . 3.240 2.565 2.189 2.985 . 0 0 "[ . 1 . 2]" 1
618 1 25 THR MG 1 26 LEU QB . . 4.610 4.259 4.025 4.515 . 0 0 "[ . 1 . 2]" 1
619 1 25 THR MG 1 62 ARG HB2 . . 5.410 5.020 4.620 5.408 . 0 0 "[ . 1 . 2]" 1
620 1 25 THR MG 1 62 ARG HB3 . . 5.410 4.823 3.875 5.288 . 0 0 "[ . 1 . 2]" 1
621 1 25 THR MG 1 62 ARG QD . . 3.810 2.916 2.331 3.715 . 0 0 "[ . 1 . 2]" 1
622 1 25 THR MG 1 63 TYR H . . 4.140 3.941 3.715 4.122 . 0 0 "[ . 1 . 2]" 1
623 1 25 THR MG 1 63 TYR HA . . 5.500 4.780 4.545 5.162 . 0 0 "[ . 1 . 2]" 1
624 1 25 THR MG 1 64 SER H . . 4.910 4.739 4.525 4.896 . 0 0 "[ . 1 . 2]" 1
625 1 25 THR MG 1 64 SER HA . . 4.300 3.623 3.278 3.766 . 0 0 "[ . 1 . 2]" 1
626 1 25 THR MG 1 64 SER HB2 . . 4.940 4.012 2.890 4.530 . 0 0 "[ . 1 . 2]" 1
627 1 25 THR MG 1 64 SER QB . . 4.170 3.132 2.842 3.762 . 0 0 "[ . 1 . 2]" 1
628 1 25 THR MG 1 64 SER HB3 . . 4.940 3.457 2.935 4.893 . 0 0 "[ . 1 . 2]" 1
629 1 26 LEU H 1 26 LEU QB . . 3.390 2.472 2.418 2.593 . 0 0 "[ . 1 . 2]" 1
630 1 26 LEU H 1 26 LEU MD1 . . 4.360 4.141 3.955 4.269 . 0 0 "[ . 1 . 2]" 1
631 1 26 LEU H 1 26 LEU MD2 . . 4.590 4.475 4.375 4.588 . 0 0 "[ . 1 . 2]" 1
632 1 26 LEU H 1 26 LEU HG . . 4.740 4.633 4.566 4.744 0.004 16 0 "[ . 1 . 2]" 1
633 1 26 LEU H 1 28 TRP HZ3 . . 4.880 4.210 3.964 4.448 . 0 0 "[ . 1 . 2]" 1
634 1 26 LEU H 1 63 TYR H . . 3.760 3.426 3.061 3.726 . 0 0 "[ . 1 . 2]" 1
635 1 26 LEU H 1 63 TYR HA . . 5.500 4.976 4.671 5.284 . 0 0 "[ . 1 . 2]" 1
636 1 26 LEU H 1 64 SER HA . . 3.920 2.920 2.654 3.261 . 0 0 "[ . 1 . 2]" 1
637 1 26 LEU HA 1 26 LEU MD1 . . 3.360 2.082 1.948 2.365 . 0 0 "[ . 1 . 2]" 1
638 1 26 LEU HA 1 26 LEU MD2 . . 4.380 3.844 3.777 3.877 . 0 0 "[ . 1 . 2]" 1
639 1 26 LEU HA 1 26 LEU HG . . 4.180 2.813 2.703 3.017 . 0 0 "[ . 1 . 2]" 1
640 1 26 LEU HA 1 27 THR H . . 2.710 2.211 2.165 2.317 . 0 0 "[ . 1 . 2]" 1
641 1 26 LEU HA 1 27 THR MG . . 4.480 3.635 3.174 4.140 . 0 0 "[ . 1 . 2]" 1
642 1 26 LEU HA 1 28 TRP HZ3 . . 5.130 4.835 4.648 5.023 . 0 0 "[ . 1 . 2]" 1
643 1 26 LEU QB 1 26 LEU MD1 . . 3.240 2.249 2.090 2.328 . 0 0 "[ . 1 . 2]" 1
644 1 26 LEU QB 1 26 LEU MD2 . . 3.160 2.071 1.990 2.101 . 0 0 "[ . 1 . 2]" 1
645 1 26 LEU QB 1 27 THR H . . 3.660 3.527 3.324 3.659 . 0 0 "[ . 1 . 2]" 1
646 1 26 LEU QB 1 27 THR HA . . 5.500 4.306 4.220 4.411 . 0 0 "[ . 1 . 2]" 1
647 1 26 LEU QB 1 28 TRP HE3 . . 3.710 3.245 3.082 3.545 . 0 0 "[ . 1 . 2]" 1
648 1 26 LEU QB 1 28 TRP HH2 . . 4.640 4.433 4.167 4.641 0.001 15 0 "[ . 1 . 2]" 1
649 1 26 LEU QB 1 28 TRP HZ3 . . 3.410 2.292 2.012 2.536 . 0 0 "[ . 1 . 2]" 1
650 1 26 LEU QB 1 41 ILE MD . . 4.820 3.864 3.456 4.101 . 0 0 "[ . 1 . 2]" 1
651 1 26 LEU QB 1 63 TYR H . . 3.950 3.462 3.061 3.858 . 0 0 "[ . 1 . 2]" 1
652 1 26 LEU QB 1 63 TYR HB3 . . 4.710 3.844 3.446 4.491 . 0 0 "[ . 1 . 2]" 1
653 1 26 LEU QB 1 65 ILE MD . . 3.780 2.666 2.496 2.778 . 0 0 "[ . 1 . 2]" 1
654 1 26 LEU QB 1 78 VAL MG1 . . 5.500 5.379 5.103 5.506 0.006 8 0 "[ . 1 . 2]" 1
655 1 26 LEU QB 1 78 VAL MG2 . . 4.320 3.590 3.380 3.713 . 0 0 "[ . 1 . 2]" 1
656 1 26 LEU MD1 1 27 THR H . . 4.200 2.936 2.358 3.268 . 0 0 "[ . 1 . 2]" 1
657 1 26 LEU MD1 1 28 TRP HE3 . . 4.880 4.341 3.996 4.622 . 0 0 "[ . 1 . 2]" 1
658 1 26 LEU MD1 1 28 TRP HZ3 . . 5.080 4.817 4.541 5.079 . 0 0 "[ . 1 . 2]" 1
659 1 26 LEU MD1 1 76 PHE H . . 5.130 4.586 4.299 4.923 . 0 0 "[ . 1 . 2]" 1
660 1 26 LEU MD1 1 76 PHE QB . . 3.610 2.472 2.168 2.923 . 0 0 "[ . 1 . 2]" 1
661 1 26 LEU MD1 1 76 PHE QD . . 3.920 3.327 2.870 3.729 . 0 0 "[ . 1 . 2]" 1
662 1 26 LEU MD1 1 76 PHE QE . . 4.900 4.535 4.133 4.830 . 0 0 "[ . 1 . 2]" 1
663 1 26 LEU MD1 1 78 VAL MG2 . . 4.330 4.032 3.770 4.318 . 0 0 "[ . 1 . 2]" 1
664 1 26 LEU MD1 1 93 VAL H . . 5.500 4.748 4.509 5.003 . 0 0 "[ . 1 . 2]" 1
665 1 26 LEU MD1 1 93 VAL QG . . 2.830 2.013 1.869 2.254 . 0 0 "[ . 1 . 2]" 1
666 1 26 LEU MD2 1 27 THR H . . 4.490 4.163 3.676 4.346 . 0 0 "[ . 1 . 2]" 1
667 1 26 LEU MD2 1 28 TRP HZ3 . . 4.200 2.984 2.313 3.531 . 0 0 "[ . 1 . 2]" 1
668 1 26 LEU MD2 1 41 ILE MD . . 3.750 3.560 2.909 3.746 . 0 0 "[ . 1 . 2]" 1
669 1 26 LEU MD2 1 41 ILE HG12 . . 4.710 3.991 3.657 4.526 . 0 0 "[ . 1 . 2]" 1
670 1 26 LEU MD2 1 41 ILE MG . . 3.290 3.181 2.882 3.293 0.003 20 0 "[ . 1 . 2]" 1
671 1 26 LEU MD2 1 42 GLN H . . 5.500 5.312 4.886 5.503 0.003 8 0 "[ . 1 . 2]" 1
672 1 26 LEU MD2 1 63 TYR HB3 . . 5.250 4.543 3.973 5.173 . 0 0 "[ . 1 . 2]" 1
673 1 26 LEU MD2 1 65 ILE MD . . 3.370 3.009 2.631 3.259 . 0 0 "[ . 1 . 2]" 1
674 1 26 LEU MD2 1 65 ILE HG12 . . 5.060 4.951 4.646 5.061 0.001 13 0 "[ . 1 . 2]" 1
675 1 26 LEU MD2 1 76 PHE H . . 5.500 4.880 4.579 5.223 . 0 0 "[ . 1 . 2]" 1
676 1 26 LEU MD2 1 76 PHE QB . . 3.500 2.122 1.957 2.324 . 0 0 "[ . 1 . 2]" 1
677 1 26 LEU MD2 1 76 PHE QD . . 3.780 3.585 3.361 3.748 . 0 0 "[ . 1 . 2]" 1
678 1 26 LEU MD2 1 76 PHE QE . . 5.220 5.064 4.823 5.217 . 0 0 "[ . 1 . 2]" 1
679 1 26 LEU MD2 1 77 ARG H . . 4.930 3.704 3.454 3.949 . 0 0 "[ . 1 . 2]" 1
680 1 26 LEU MD2 1 77 ARG HA . . 4.610 3.743 3.552 3.996 . 0 0 "[ . 1 . 2]" 1
681 1 26 LEU MD2 1 78 VAL MG1 . . 4.320 4.028 3.770 4.237 . 0 0 "[ . 1 . 2]" 1
682 1 26 LEU MD2 1 78 VAL MG2 . . 3.720 1.941 1.804 2.094 . 0 0 "[ . 1 . 2]" 1
683 1 26 LEU MD2 1 93 VAL H . . 5.500 4.843 4.262 5.300 . 0 0 "[ . 1 . 2]" 1
684 1 26 LEU HG 1 27 THR H . . 4.760 2.557 2.014 2.765 . 0 0 "[ . 1 . 2]" 1
685 1 26 LEU HG 1 28 TRP HE3 . . 4.460 2.755 2.318 3.088 . 0 0 "[ . 1 . 2]" 1
686 1 26 LEU HG 1 28 TRP HZ3 . . 4.980 3.740 3.355 4.133 . 0 0 "[ . 1 . 2]" 1
687 1 26 LEU HG 1 65 ILE MD . . 5.220 4.970 4.828 5.100 . 0 0 "[ . 1 . 2]" 1
688 1 26 LEU HG 1 78 VAL MG2 . . 3.980 3.553 3.138 3.959 . 0 0 "[ . 1 . 2]" 1
689 1 27 THR H 1 27 THR HB . . 4.070 3.819 3.685 3.895 . 0 0 "[ . 1 . 2]" 1
690 1 27 THR H 1 27 THR MG . . 3.280 2.934 2.310 3.281 0.001 6 0 "[ . 1 . 2]" 1
691 1 27 THR H 1 28 TRP H . . 4.630 4.412 4.328 4.479 . 0 0 "[ . 1 . 2]" 1
692 1 27 THR H 1 28 TRP HE3 . . 4.180 3.549 3.319 3.873 . 0 0 "[ . 1 . 2]" 1
693 1 27 THR H 1 28 TRP HZ3 . . 5.350 4.749 4.469 5.144 . 0 0 "[ . 1 . 2]" 1
694 1 27 THR HA 1 28 TRP H . . 2.970 2.250 2.182 2.432 . 0 0 "[ . 1 . 2]" 1
695 1 27 THR HA 1 28 TRP HE3 . . 4.890 2.979 2.736 3.541 . 0 0 "[ . 1 . 2]" 1
696 1 27 THR HA 1 63 TYR H . . 4.320 3.858 3.345 4.151 . 0 0 "[ . 1 . 2]" 1
697 1 27 THR HB 1 28 TRP H . . 3.090 2.851 2.332 3.075 . 0 0 "[ . 1 . 2]" 1
698 1 27 THR HB 1 62 ARG QB . . 4.990 4.408 3.550 4.952 . 0 0 "[ . 1 . 2]" 1
699 1 27 THR HB 1 62 ARG QD . . 4.530 4.079 3.099 4.531 0.001 6 0 "[ . 1 . 2]" 1
700 1 27 THR HB 1 62 ARG QG . . 4.690 3.988 2.627 4.601 . 0 0 "[ . 1 . 2]" 1
701 1 27 THR MG 1 28 TRP H . . 4.220 3.834 3.336 4.135 . 0 0 "[ . 1 . 2]" 1
702 1 27 THR MG 1 28 TRP HA . . 5.500 5.385 5.200 5.458 . 0 0 "[ . 1 . 2]" 1
703 1 27 THR MG 1 62 ARG QB . . 3.970 3.185 1.969 3.969 . 0 0 "[ . 1 . 2]" 1
704 1 27 THR MG 1 62 ARG QD . . 3.640 2.223 1.825 2.548 . 0 0 "[ . 1 . 2]" 1
705 1 27 THR MG 1 62 ARG HG2 . . 3.980 3.344 2.068 3.874 . 0 0 "[ . 1 . 2]" 1
706 1 27 THR MG 1 62 ARG HG3 . . 3.980 2.267 1.958 3.582 . 0 0 "[ . 1 . 2]" 1
707 1 27 THR MG 1 63 TYR H . . 4.870 4.185 3.554 4.592 . 0 0 "[ . 1 . 2]" 1
708 1 28 TRP H 1 28 TRP HD1 . . 4.850 4.691 4.488 4.801 . 0 0 "[ . 1 . 2]" 1
709 1 28 TRP H 1 28 TRP HE3 . . 3.850 3.255 2.899 3.539 . 0 0 "[ . 1 . 2]" 1
710 1 28 TRP H 1 28 TRP HZ3 . . 5.500 4.941 4.588 5.250 . 0 0 "[ . 1 . 2]" 1
711 1 28 TRP H 1 29 ASP H . . 5.200 4.373 4.360 4.391 . 0 0 "[ . 1 . 2]" 1
712 1 28 TRP H 1 61 THR HB . . 3.870 3.404 3.083 3.686 . 0 0 "[ . 1 . 2]" 1
713 1 28 TRP H 1 61 THR MG . . 5.120 4.762 4.443 5.099 . 0 0 "[ . 1 . 2]" 1
714 1 28 TRP H 1 62 ARG H . . 5.500 5.345 5.191 5.450 . 0 0 "[ . 1 . 2]" 1
715 1 28 TRP H 1 63 TYR H . . 5.500 5.412 5.250 5.501 0.001 1 0 "[ . 1 . 2]" 1
716 1 28 TRP HA 1 28 TRP HD1 . . 4.990 4.385 4.261 4.475 . 0 0 "[ . 1 . 2]" 1
717 1 28 TRP HA 1 28 TRP HE3 . . 5.500 4.317 4.193 4.485 . 0 0 "[ . 1 . 2]" 1
718 1 28 TRP HA 1 29 ASP H . . 3.040 2.538 2.425 2.613 . 0 0 "[ . 1 . 2]" 1
719 1 28 TRP HB2 1 28 TRP HD1 . . 3.790 2.660 2.615 2.733 . 0 0 "[ . 1 . 2]" 1
720 1 28 TRP HB2 1 29 ASP H . . 3.260 2.219 2.104 2.443 . 0 0 "[ . 1 . 2]" 1
721 1 28 TRP HB2 1 78 VAL MG2 . . 5.000 4.459 4.183 4.818 . 0 0 "[ . 1 . 2]" 1
722 1 28 TRP HB3 1 28 TRP HE3 . . 4.170 2.585 2.495 2.660 . 0 0 "[ . 1 . 2]" 1
723 1 28 TRP HB3 1 29 ASP H . . 3.840 3.689 3.612 3.836 . 0 0 "[ . 1 . 2]" 1
724 1 28 TRP HB3 1 78 VAL MG2 . . 4.880 3.554 3.275 3.951 . 0 0 "[ . 1 . 2]" 1
725 1 28 TRP HD1 1 29 ASP H . . 4.320 3.027 2.630 3.356 . 0 0 "[ . 1 . 2]" 1
726 1 28 TRP HD1 1 29 ASP HA . . 5.170 3.849 3.383 4.154 . 0 0 "[ . 1 . 2]" 1
727 1 28 TRP HD1 1 30 SER H . . 4.690 4.440 4.067 4.671 . 0 0 "[ . 1 . 2]" 1
728 1 28 TRP HD1 1 30 SER HA . . 4.050 3.753 3.636 3.982 . 0 0 "[ . 1 . 2]" 1
729 1 28 TRP HD1 1 61 THR HB . . 4.960 4.429 3.663 4.829 . 0 0 "[ . 1 . 2]" 1
730 1 28 TRP HD1 1 61 THR MG . . 4.170 3.934 3.364 4.156 . 0 0 "[ . 1 . 2]" 1
731 1 28 TRP HD1 1 78 VAL HB . . 5.500 4.812 4.488 5.088 . 0 0 "[ . 1 . 2]" 1
732 1 28 TRP HD1 1 78 VAL MG1 . . 4.620 4.076 3.716 4.351 . 0 0 "[ . 1 . 2]" 1
733 1 28 TRP HE1 1 39 TYR HD2 . . 4.850 3.289 3.016 3.664 . 0 0 "[ . 1 . 2]" 1
734 1 28 TRP HE1 1 39 TYR QE . . 4.430 3.809 3.358 4.036 . 0 0 "[ . 1 . 2]" 1
735 1 28 TRP HE1 1 61 THR HA . . 3.930 2.924 2.331 3.370 . 0 0 "[ . 1 . 2]" 1
736 1 28 TRP HE1 1 61 THR HB . . 5.110 4.570 3.850 5.010 . 0 0 "[ . 1 . 2]" 1
737 1 28 TRP HE1 1 61 THR MG . . 3.870 3.547 2.957 3.753 . 0 0 "[ . 1 . 2]" 1
738 1 28 TRP HE1 1 78 VAL MG1 . . 4.220 3.081 2.816 3.398 . 0 0 "[ . 1 . 2]" 1
739 1 28 TRP HE1 1 78 VAL MG2 . . 4.950 4.593 4.308 4.831 . 0 0 "[ . 1 . 2]" 1
740 1 28 TRP HE3 1 41 ILE MD . . 5.500 5.151 4.863 5.372 . 0 0 "[ . 1 . 2]" 1
741 1 28 TRP HE3 1 63 TYR H . . 4.800 4.310 4.111 4.557 . 0 0 "[ . 1 . 2]" 1
742 1 28 TRP HE3 1 78 VAL MG2 . . 4.260 2.901 2.635 3.097 . 0 0 "[ . 1 . 2]" 1
743 1 28 TRP HH2 1 39 TYR HB3 . . 5.500 5.224 4.923 5.498 . 0 0 "[ . 1 . 2]" 1
744 1 28 TRP HH2 1 41 ILE MD . . 3.310 2.581 2.314 2.837 . 0 0 "[ . 1 . 2]" 1
745 1 28 TRP HH2 1 41 ILE HG12 . . 4.770 4.057 3.707 4.467 . 0 0 "[ . 1 . 2]" 1
746 1 28 TRP HH2 1 58 VAL MG1 . . 4.610 2.475 2.092 2.979 . 0 0 "[ . 1 . 2]" 1
747 1 28 TRP HH2 1 58 VAL QG . . 3.280 2.449 2.081 2.920 . 0 0 "[ . 1 . 2]" 1
748 1 28 TRP HH2 1 58 VAL MG2 . . 4.610 3.929 3.695 4.194 . 0 0 "[ . 1 . 2]" 1
749 1 28 TRP HH2 1 61 THR HA . . 5.500 4.811 4.400 5.104 . 0 0 "[ . 1 . 2]" 1
750 1 28 TRP HH2 1 63 TYR HA . . 4.960 4.430 4.065 4.935 . 0 0 "[ . 1 . 2]" 1
751 1 28 TRP HH2 1 63 TYR HB2 . . 3.630 2.477 2.079 2.901 . 0 0 "[ . 1 . 2]" 1
752 1 28 TRP HH2 1 63 TYR HB3 . . 3.660 2.230 2.001 2.762 . 0 0 "[ . 1 . 2]" 1
753 1 28 TRP HZ2 1 39 TYR HB2 . . 3.800 2.926 2.602 3.319 . 0 0 "[ . 1 . 2]" 1
754 1 28 TRP HZ2 1 39 TYR HB3 . . 3.920 3.495 3.207 3.849 . 0 0 "[ . 1 . 2]" 1
755 1 28 TRP HZ2 1 41 ILE MD . . 4.410 4.096 3.697 4.403 . 0 0 "[ . 1 . 2]" 1
756 1 28 TRP HZ2 1 41 ILE HG12 . . 5.490 4.956 4.617 5.303 . 0 0 "[ . 1 . 2]" 1
757 1 28 TRP HZ2 1 58 VAL HB . . 5.000 3.937 3.720 4.228 . 0 0 "[ . 1 . 2]" 1
758 1 28 TRP HZ2 1 58 VAL MG1 . . 4.940 2.460 2.122 2.786 . 0 0 "[ . 1 . 2]" 1
759 1 28 TRP HZ2 1 58 VAL QG . . 3.530 2.449 2.117 2.767 . 0 0 "[ . 1 . 2]" 1
760 1 28 TRP HZ2 1 58 VAL MG2 . . 4.940 4.537 4.313 4.721 . 0 0 "[ . 1 . 2]" 1
761 1 28 TRP HZ2 1 61 THR HA . . 3.630 3.325 2.841 3.631 0.001 8 0 "[ . 1 . 2]" 1
762 1 28 TRP HZ2 1 61 THR MG . . 5.020 4.820 4.416 5.023 0.003 8 0 "[ . 1 . 2]" 1
763 1 28 TRP HZ2 1 62 ARG H . . 5.250 4.666 3.762 5.203 . 0 0 "[ . 1 . 2]" 1
764 1 28 TRP HZ2 1 63 TYR HB2 . . 4.790 4.332 3.858 4.674 . 0 0 "[ . 1 . 2]" 1
765 1 28 TRP HZ2 1 78 VAL MG1 . . 4.410 2.813 2.520 3.106 . 0 0 "[ . 1 . 2]" 1
766 1 28 TRP HZ3 1 41 ILE MD . . 4.650 3.344 2.969 3.614 . 0 0 "[ . 1 . 2]" 1
767 1 28 TRP HZ3 1 62 ARG QG . . 5.280 4.625 4.089 4.963 . 0 0 "[ . 1 . 2]" 1
768 1 28 TRP HZ3 1 63 TYR H . . 3.500 2.584 2.174 3.118 . 0 0 "[ . 1 . 2]" 1
769 1 29 ASP H 1 29 ASP HB2 . . 3.490 2.698 2.275 2.980 . 0 0 "[ . 1 . 2]" 1
770 1 29 ASP H 1 29 ASP HB3 . . 3.550 2.955 2.580 3.571 0.021 8 0 "[ . 1 . 2]" 1
771 1 29 ASP HA 1 30 SER H . . 2.680 2.307 2.270 2.381 . 0 0 "[ . 1 . 2]" 1
772 1 29 ASP HA 1 30 SER QB . . 4.780 4.525 4.426 4.677 . 0 0 "[ . 1 . 2]" 1
773 1 29 ASP HA 1 31 GLY H . . 4.600 4.465 4.295 4.575 . 0 0 "[ . 1 . 2]" 1
774 1 29 ASP HA 1 61 THR HB . . 4.740 3.319 2.870 3.579 . 0 0 "[ . 1 . 2]" 1
775 1 29 ASP HA 1 61 THR MG . . 4.010 2.832 2.550 3.128 . 0 0 "[ . 1 . 2]" 1
776 1 29 ASP HB2 1 30 SER H . . 4.260 4.039 3.940 4.129 . 0 0 "[ . 1 . 2]" 1
777 1 29 ASP HB2 1 31 GLY H . . 4.840 4.582 4.069 4.803 . 0 0 "[ . 1 . 2]" 1
778 1 29 ASP HB3 1 30 SER H . . 3.820 3.392 2.652 3.802 . 0 0 "[ . 1 . 2]" 1
779 1 29 ASP HB3 1 31 GLY H . . 4.100 3.186 2.730 3.597 . 0 0 "[ . 1 . 2]" 1
780 1 30 SER H 1 30 SER HB2 . . 3.640 3.040 2.298 3.602 . 0 0 "[ . 1 . 2]" 1
781 1 30 SER H 1 30 SER QB . . 2.900 2.443 2.271 2.632 . 0 0 "[ . 1 . 2]" 1
782 1 30 SER H 1 30 SER HB3 . . 3.640 3.039 2.398 3.600 . 0 0 "[ . 1 . 2]" 1
783 1 30 SER H 1 32 ASN H . . 5.500 5.264 4.870 5.404 . 0 0 "[ . 1 . 2]" 1
784 1 30 SER H 1 61 THR HB . . 4.990 4.466 4.001 4.838 . 0 0 "[ . 1 . 2]" 1
785 1 30 SER H 1 61 THR MG . . 3.830 2.698 2.275 2.967 . 0 0 "[ . 1 . 2]" 1
786 1 30 SER HA 1 32 ASN QD . . 4.910 4.623 4.098 4.900 . 0 0 "[ . 1 . 2]" 1
787 1 30 SER HA 1 39 TYR QE . . 4.490 3.418 3.025 3.927 . 0 0 "[ . 1 . 2]" 1
788 1 30 SER QB 1 31 GLY H . . 3.860 2.843 2.355 3.316 . 0 0 "[ . 1 . 2]" 1
789 1 30 SER QB 1 32 ASN H . . 4.600 2.977 2.369 3.235 . 0 0 "[ . 1 . 2]" 1
790 1 30 SER QB 1 32 ASN QD . . 4.860 4.430 4.072 4.669 . 0 0 "[ . 1 . 2]" 1
791 1 30 SER QB 1 61 THR MG . . 4.420 3.491 2.758 4.015 . 0 0 "[ . 1 . 2]" 1
792 1 30 SER HB2 1 31 GLY H . . 4.560 3.015 2.391 3.583 . 0 0 "[ . 1 . 2]" 1
793 1 30 SER HB3 1 31 GLY H . . 4.560 3.593 3.159 3.960 . 0 0 "[ . 1 . 2]" 1
794 1 31 GLY H 1 32 ASN H . . 3.450 3.286 2.833 3.439 . 0 0 "[ . 1 . 2]" 1
795 1 31 GLY H 1 32 ASN QD . . 5.340 5.178 4.948 5.338 . 0 0 "[ . 1 . 2]" 1
796 1 31 GLY QA 1 32 ASN QD . . 4.150 3.556 3.132 3.921 . 0 0 "[ . 1 . 2]" 1
797 1 32 ASN H 1 32 ASN HB2 . . 3.690 2.691 2.244 3.510 . 0 0 "[ . 1 . 2]" 1
798 1 32 ASN H 1 32 ASN QB . . 3.160 2.504 2.220 2.959 . 0 0 "[ . 1 . 2]" 1
799 1 32 ASN H 1 32 ASN HB3 . . 3.690 3.465 3.135 3.660 . 0 0 "[ . 1 . 2]" 1
800 1 32 ASN H 1 32 ASN HD21 . . 4.580 2.587 2.153 2.969 . 0 0 "[ . 1 . 2]" 1
801 1 32 ASN H 1 32 ASN QD . . 3.900 2.497 2.142 2.915 . 0 0 "[ . 1 . 2]" 1
802 1 32 ASN H 1 32 ASN HD22 . . 4.580 3.714 3.009 4.492 . 0 0 "[ . 1 . 2]" 1
803 1 32 ASN H 1 36 VAL QG . . 4.790 4.278 3.882 4.718 . 0 0 "[ . 1 . 2]" 1
804 1 32 ASN QB 1 34 GLU H . . 3.270 2.668 2.254 3.271 0.001 14 0 "[ . 1 . 2]" 1
805 1 32 ASN QB 1 36 VAL QG . . 3.420 2.762 2.286 3.424 0.004 14 0 "[ . 1 . 2]" 1
806 1 32 ASN HB2 1 36 VAL MG1 . . 5.500 4.159 2.915 5.189 . 0 0 "[ . 1 . 2]" 1
807 1 32 ASN HB2 1 36 VAL MG2 . . 5.500 3.391 2.411 5.186 . 0 0 "[ . 1 . 2]" 1
808 1 32 ASN HB3 1 36 VAL MG1 . . 5.500 4.593 3.011 5.500 . 18 0 "[ . 1 . 2]" 1
809 1 32 ASN HB3 1 36 VAL MG2 . . 5.500 4.079 2.888 5.351 . 0 0 "[ . 1 . 2]" 1
810 1 32 ASN QD 1 36 VAL QG . . 3.750 3.080 2.558 3.534 . 0 0 "[ . 1 . 2]" 1
811 1 32 ASN QD 1 80 ALA MB . . 3.500 2.364 1.855 2.913 . 0 0 "[ . 1 . 2]" 1
812 1 32 ASN HD21 1 36 VAL MG1 . . 5.410 4.387 3.510 5.149 . 0 0 "[ . 1 . 2]" 1
813 1 32 ASN HD21 1 36 VAL MG2 . . 5.410 3.900 3.052 4.699 . 0 0 "[ . 1 . 2]" 1
814 1 32 ASN HD21 1 80 ALA MB . . 4.060 2.900 2.622 3.291 . 0 0 "[ . 1 . 2]" 1
815 1 32 ASN HD22 1 36 VAL MG1 . . 5.410 4.316 2.823 5.368 . 0 0 "[ . 1 . 2]" 1
816 1 32 ASN HD22 1 36 VAL MG2 . . 5.410 4.057 2.754 5.272 . 0 0 "[ . 1 . 2]" 1
817 1 32 ASN HD22 1 80 ALA MB . . 4.060 2.546 1.897 3.249 . 0 0 "[ . 1 . 2]" 1
818 1 33 SER QB 1 34 GLU H . . 3.770 2.898 2.395 3.450 . 0 0 "[ . 1 . 2]" 1
819 1 33 SER QB 1 34 GLU QB . . 5.010 4.237 3.708 5.021 0.011 20 0 "[ . 1 . 2]" 1
820 1 33 SER QB 1 34 GLU QG . . 4.930 3.866 2.880 4.932 0.002 14 0 "[ . 1 . 2]" 1
821 1 34 GLU H 1 34 GLU QB . . 3.030 2.397 2.157 2.838 . 0 0 "[ . 1 . 2]" 1
822 1 34 GLU H 1 34 GLU QG . . 3.190 2.640 1.968 3.190 0.000 11 0 "[ . 1 . 2]" 1
823 1 34 GLU H 1 35 PRO HD2 . . 5.100 4.803 4.753 4.839 . 0 0 "[ . 1 . 2]" 1
824 1 34 GLU HA 1 34 GLU QG . . 3.700 2.808 2.128 3.419 . 0 0 "[ . 1 . 2]" 1
825 1 34 GLU HA 1 35 PRO HD2 . . 3.640 2.338 2.227 2.488 . 0 0 "[ . 1 . 2]" 1
826 1 34 GLU HA 1 35 PRO HD3 . . 3.340 2.280 2.254 2.336 . 0 0 "[ . 1 . 2]" 1
827 1 34 GLU QB 1 35 PRO HD2 . . 2.910 2.195 1.984 2.532 . 0 0 "[ . 1 . 2]" 1
828 1 34 GLU QB 1 35 PRO HD3 . . 3.880 3.505 3.301 3.765 . 0 0 "[ . 1 . 2]" 1
829 1 34 GLU QG 1 35 PRO HD2 . . 3.800 3.368 2.405 3.801 0.001 14 0 "[ . 1 . 2]" 1
830 1 34 GLU QG 1 35 PRO HD3 . . 5.500 4.258 3.303 4.741 . 0 0 "[ . 1 . 2]" 1
831 1 35 PRO HA 1 36 VAL H . . 2.600 2.246 2.151 2.329 . 0 0 "[ . 1 . 2]" 1
832 1 35 PRO HA 1 36 VAL HA . . 4.770 4.484 4.395 4.549 . 0 0 "[ . 1 . 2]" 1
833 1 35 PRO HA 1 36 VAL QG . . 5.440 3.579 3.380 3.966 . 0 0 "[ . 1 . 2]" 1
834 1 35 PRO QB 1 36 VAL H . . 3.820 3.712 3.350 3.841 0.021 6 0 "[ . 1 . 2]" 1
835 1 35 PRO HB2 1 36 VAL H . . 4.630 4.022 3.580 4.178 . 0 0 "[ . 1 . 2]" 1
836 1 35 PRO HB3 1 36 VAL H . . 4.630 4.358 4.033 4.482 . 0 0 "[ . 1 . 2]" 1
837 1 36 VAL H 1 36 VAL HB . . 3.670 3.107 2.528 3.647 . 0 0 "[ . 1 . 2]" 1
838 1 36 VAL H 1 36 VAL MG1 . . 4.020 3.228 2.244 3.825 . 0 0 "[ . 1 . 2]" 1
839 1 36 VAL H 1 36 VAL QG . . 3.110 1.997 1.852 2.238 . 0 0 "[ . 1 . 2]" 1
840 1 36 VAL H 1 36 VAL MG2 . . 4.020 2.047 1.867 2.276 . 0 0 "[ . 1 . 2]" 1
841 1 36 VAL HA 1 36 VAL MG1 . . 3.390 2.199 2.024 2.362 . 0 0 "[ . 1 . 2]" 1
842 1 36 VAL HA 1 36 VAL QG . . 2.960 2.109 1.961 2.304 . 0 0 "[ . 1 . 2]" 1
843 1 36 VAL HA 1 36 VAL MG2 . . 3.390 2.788 2.372 3.199 . 0 0 "[ . 1 . 2]" 1
844 1 36 VAL HA 1 37 THR H . . 2.910 2.350 2.214 2.582 . 0 0 "[ . 1 . 2]" 1
845 1 36 VAL HA 1 38 TYR H . . 5.350 4.723 4.422 5.012 . 0 0 "[ . 1 . 2]" 1
846 1 36 VAL HA 1 80 ALA MB . . 5.500 5.053 4.731 5.502 0.002 3 0 "[ . 1 . 2]" 1
847 1 36 VAL HA 1 82 ASN HA . . 4.660 4.074 3.563 4.522 . 0 0 "[ . 1 . 2]" 1
848 1 36 VAL HA 1 82 ASN HB2 . . 4.070 3.009 2.511 3.975 . 0 0 "[ . 1 . 2]" 1
849 1 36 VAL HA 1 82 ASN HB3 . . 3.930 2.659 2.158 3.290 . 0 0 "[ . 1 . 2]" 1
850 1 36 VAL HA 1 82 ASN HD21 . . 4.340 4.289 3.950 4.345 0.005 12 0 "[ . 1 . 2]" 1
851 1 36 VAL HB 1 37 THR H . . 3.660 3.073 2.007 3.664 0.004 9 0 "[ . 1 . 2]" 1
852 1 36 VAL HB 1 38 TYR H . . 4.290 3.801 3.079 4.263 . 0 0 "[ . 1 . 2]" 1
853 1 36 VAL HB 1 80 ALA MB . . 4.350 3.732 3.349 4.211 . 0 0 "[ . 1 . 2]" 1
854 1 36 VAL HB 1 81 VAL H . . 4.600 3.828 2.953 4.492 . 0 0 "[ . 1 . 2]" 1
855 1 36 VAL HB 1 82 ASN HB3 . . 5.100 3.729 2.010 5.048 . 0 0 "[ . 1 . 2]" 1
856 1 36 VAL QG 1 37 THR H . . 3.430 2.467 1.808 3.334 . 0 0 "[ . 1 . 2]" 1
857 1 36 VAL QG 1 37 THR HA . . 5.010 4.190 3.785 4.510 . 0 0 "[ . 1 . 2]" 1
858 1 36 VAL QG 1 37 THR HB . . 4.440 3.912 3.257 4.440 0.000 5 0 "[ . 1 . 2]" 1
859 1 36 VAL QG 1 38 TYR H . . 3.240 2.728 2.023 3.220 . 0 0 "[ . 1 . 2]" 1
860 1 36 VAL QG 1 38 TYR HA . . 4.440 3.748 3.349 4.404 . 0 0 "[ . 1 . 2]" 1
861 1 36 VAL QG 1 39 TYR HA . . 4.760 4.027 3.615 4.366 . 0 0 "[ . 1 . 2]" 1
862 1 36 VAL QG 1 39 TYR QE . . 3.530 2.516 1.902 3.029 . 0 0 "[ . 1 . 2]" 1
863 1 36 VAL QG 1 81 VAL H . . 3.310 2.244 1.844 2.992 . 0 0 "[ . 1 . 2]" 1
864 1 36 VAL QG 1 82 ASN HB2 . . 5.240 3.359 3.037 3.889 . 0 0 "[ . 1 . 2]" 1
865 1 36 VAL QG 1 82 ASN HB3 . . 4.250 2.168 1.962 2.842 . 0 0 "[ . 1 . 2]" 1
866 1 36 VAL QG 1 82 ASN HD21 . . 4.660 2.999 2.306 3.359 . 0 0 "[ . 1 . 2]" 1
867 1 36 VAL MG1 1 39 TYR QE . . 4.230 3.508 2.930 4.013 . 0 0 "[ . 1 . 2]" 1
868 1 36 VAL MG1 1 80 ALA MB . . 3.190 2.190 1.918 2.655 . 0 0 "[ . 1 . 2]" 1
869 1 36 VAL MG1 1 82 ASN HD21 . . 5.430 3.079 2.311 3.489 . 0 0 "[ . 1 . 2]" 1
870 1 36 VAL MG2 1 39 TYR QE . . 4.230 2.700 1.906 3.386 . 0 0 "[ . 1 . 2]" 1
871 1 36 VAL MG2 1 80 ALA MB . . 3.190 2.491 2.140 2.782 . 0 0 "[ . 1 . 2]" 1
872 1 36 VAL MG2 1 82 ASN HD21 . . 5.430 4.555 3.569 5.350 . 0 0 "[ . 1 . 2]" 1
873 1 37 THR H 1 37 THR HB . . 3.340 2.580 2.487 2.699 . 0 0 "[ . 1 . 2]" 1
874 1 37 THR H 1 37 THR MG . . 3.870 3.771 3.763 3.779 . 0 0 "[ . 1 . 2]" 1
875 1 37 THR H 1 38 TYR H . . 3.090 2.789 2.571 3.063 . 0 0 "[ . 1 . 2]" 1
876 1 37 THR H 1 38 TYR HA . . 5.300 5.075 4.932 5.305 0.005 19 0 "[ . 1 . 2]" 1
877 1 37 THR H 1 38 TYR QD . . 5.180 4.891 4.636 5.151 . 0 0 "[ . 1 . 2]" 1
878 1 37 THR H 1 81 VAL H . . 5.060 4.517 4.131 5.038 . 0 0 "[ . 1 . 2]" 1
879 1 37 THR H 1 81 VAL MG1 . . 5.480 5.020 4.803 5.247 . 0 0 "[ . 1 . 2]" 1
880 1 37 THR H 1 82 ASN H . . 5.250 4.510 4.195 4.947 . 0 0 "[ . 1 . 2]" 1
881 1 37 THR H 1 82 ASN HA . . 3.230 2.292 1.904 2.790 . 0 0 "[ . 1 . 2]" 1
882 1 37 THR H 1 82 ASN HB2 . . 3.790 2.759 2.119 3.626 . 0 0 "[ . 1 . 2]" 1
883 1 37 THR H 1 82 ASN HB3 . . 3.900 2.640 2.313 2.958 . 0 0 "[ . 1 . 2]" 1
884 1 37 THR HA 1 37 THR MG . . 3.030 2.394 2.287 2.473 . 0 0 "[ . 1 . 2]" 1
885 1 37 THR HB 1 38 TYR H . . 3.030 2.220 1.907 2.396 . 0 0 "[ . 1 . 2]" 1
886 1 37 THR HB 1 38 TYR HB2 . . 5.500 5.349 5.252 5.469 . 0 0 "[ . 1 . 2]" 1
887 1 37 THR HB 1 38 TYR QD . . 3.620 2.602 2.371 2.909 . 0 0 "[ . 1 . 2]" 1
888 1 37 THR HB 1 38 TYR QE . . 4.160 3.985 3.719 4.158 . 0 0 "[ . 1 . 2]" 1
889 1 37 THR HB 1 81 VAL H . . 5.240 4.923 4.641 5.229 . 0 0 "[ . 1 . 2]" 1
890 1 37 THR HB 1 81 VAL HB . . 4.500 3.955 3.679 4.217 . 0 0 "[ . 1 . 2]" 1
891 1 37 THR HB 1 81 VAL MG1 . . 4.040 3.815 3.538 4.039 . 0 0 "[ . 1 . 2]" 1
892 1 37 THR HB 1 82 ASN HA . . 4.050 2.241 2.018 2.653 . 0 0 "[ . 1 . 2]" 1
893 1 37 THR MG 1 38 TYR H . . 3.960 3.209 3.022 3.359 . 0 0 "[ . 1 . 2]" 1
894 1 37 THR MG 1 38 TYR HA . . 4.920 4.150 4.020 4.274 . 0 0 "[ . 1 . 2]" 1
895 1 37 THR MG 1 38 TYR HB2 . . 4.400 4.263 4.160 4.394 . 0 0 "[ . 1 . 2]" 1
896 1 37 THR MG 1 38 TYR HB3 . . 4.540 2.707 2.582 2.887 . 0 0 "[ . 1 . 2]" 1
897 1 37 THR MG 1 38 TYR QD . . 2.960 2.054 1.845 2.262 . 0 0 "[ . 1 . 2]" 1
898 1 37 THR MG 1 38 TYR QE . . 3.720 3.486 3.023 3.720 0.000 18 0 "[ . 1 . 2]" 1
899 1 37 THR MG 1 82 ASN HA . . 4.710 3.646 3.504 3.858 . 0 0 "[ . 1 . 2]" 1
900 1 38 TYR H 1 38 TYR QD . . 4.010 2.974 2.601 3.254 . 0 0 "[ . 1 . 2]" 1
901 1 38 TYR H 1 39 TYR H . . 4.530 4.372 4.354 4.395 . 0 0 "[ . 1 . 2]" 1
902 1 38 TYR H 1 81 VAL H . . 3.770 3.357 3.128 3.662 . 0 0 "[ . 1 . 2]" 1
903 1 38 TYR H 1 81 VAL HB . . 3.480 3.232 2.896 3.399 . 0 0 "[ . 1 . 2]" 1
904 1 38 TYR H 1 81 VAL MG1 . . 4.400 4.163 3.819 4.398 . 0 0 "[ . 1 . 2]" 1
905 1 38 TYR H 1 81 VAL MG2 . . 5.070 4.494 4.298 4.659 . 0 0 "[ . 1 . 2]" 1
906 1 38 TYR H 1 82 ASN HA . . 4.350 3.568 3.184 3.907 . 0 0 "[ . 1 . 2]" 1
907 1 38 TYR HA 1 38 TYR QD . . 4.170 3.723 3.705 3.737 . 0 0 "[ . 1 . 2]" 1
908 1 38 TYR HA 1 39 TYR H . . 3.170 2.502 2.391 2.635 . 0 0 "[ . 1 . 2]" 1
909 1 38 TYR HA 1 58 VAL H . . 5.010 4.424 4.128 4.667 . 0 0 "[ . 1 . 2]" 1
910 1 38 TYR HA 1 59 ALA MB . . 4.470 3.809 3.569 4.156 . 0 0 "[ . 1 . 2]" 1
911 1 38 TYR HA 1 81 VAL HB . . 5.500 5.098 4.792 5.342 . 0 0 "[ . 1 . 2]" 1
912 1 38 TYR HB2 1 39 TYR H . . 3.540 2.344 2.142 2.519 . 0 0 "[ . 1 . 2]" 1
913 1 38 TYR HB2 1 57 GLY H . . 5.080 3.137 2.883 3.412 . 0 0 "[ . 1 . 2]" 1
914 1 38 TYR HB2 1 57 GLY HA3 . . 5.500 4.866 4.599 5.125 . 0 0 "[ . 1 . 2]" 1
915 1 38 TYR HB2 1 58 VAL H . . 4.230 2.481 2.096 2.719 . 0 0 "[ . 1 . 2]" 1
916 1 38 TYR HB2 1 58 VAL QG . . 5.040 4.276 3.941 4.491 . 0 0 "[ . 1 . 2]" 1
917 1 38 TYR HB2 1 59 ALA MB . . 4.320 4.180 4.079 4.312 . 0 0 "[ . 1 . 2]" 1
918 1 38 TYR HB3 1 39 TYR H . . 3.900 3.784 3.642 3.897 . 0 0 "[ . 1 . 2]" 1
919 1 38 TYR HB3 1 58 VAL H . . 4.400 4.085 3.643 4.316 . 0 0 "[ . 1 . 2]" 1
920 1 38 TYR HB3 1 59 ALA MB . . 4.580 4.173 3.999 4.342 . 0 0 "[ . 1 . 2]" 1
921 1 38 TYR QD 1 39 TYR H . . 3.800 2.656 2.174 3.024 . 0 0 "[ . 1 . 2]" 1
922 1 38 TYR QD 1 39 TYR HA . . 4.970 3.684 3.393 4.032 . 0 0 "[ . 1 . 2]" 1
923 1 38 TYR QD 1 56 ASP HA . . 4.590 3.117 2.940 3.413 . 0 0 "[ . 1 . 2]" 1
924 1 38 TYR QD 1 57 GLY H . . 3.370 2.277 2.059 2.616 . 0 0 "[ . 1 . 2]" 1
925 1 38 TYR QD 1 57 GLY HA2 . . 4.190 3.975 3.786 4.105 . 0 0 "[ . 1 . 2]" 1
926 1 38 TYR QD 1 57 GLY HA3 . . 5.140 4.973 4.804 5.140 0.000 20 0 "[ . 1 . 2]" 1
927 1 38 TYR QD 1 58 VAL H . . 3.700 2.625 2.395 2.820 . 0 0 "[ . 1 . 2]" 1
928 1 38 TYR QD 1 58 VAL QG . . 4.220 3.865 3.608 4.130 . 0 0 "[ . 1 . 2]" 1
929 1 38 TYR QD 1 59 ALA MB . . 5.500 5.465 5.377 5.502 0.002 13 0 "[ . 1 . 2]" 1
930 1 38 TYR QD 1 81 VAL HB . . 4.180 3.396 3.046 3.622 . 0 0 "[ . 1 . 2]" 1
931 1 38 TYR QD 1 81 VAL MG1 . . 4.200 3.639 3.422 4.080 . 0 0 "[ . 1 . 2]" 1
932 1 38 TYR QD 1 81 VAL MG2 . . 4.600 3.757 3.356 4.085 . 0 0 "[ . 1 . 2]" 1
933 1 38 TYR QE 1 56 ASP HA . . 4.510 2.581 2.120 2.809 . 0 0 "[ . 1 . 2]" 1
934 1 38 TYR QE 1 56 ASP QB . . 3.910 2.509 2.236 2.961 . 0 0 "[ . 1 . 2]" 1
935 1 38 TYR QE 1 57 GLY H . . 3.720 3.330 3.100 3.495 . 0 0 "[ . 1 . 2]" 1
936 1 38 TYR QE 1 57 GLY HA2 . . 5.250 5.182 4.936 5.258 0.008 6 0 "[ . 1 . 2]" 1
937 1 38 TYR QE 1 81 VAL HB . . 4.140 3.248 2.848 3.521 . 0 0 "[ . 1 . 2]" 1
938 1 38 TYR QE 1 81 VAL MG1 . . 3.120 2.451 2.054 3.036 . 0 0 "[ . 1 . 2]" 1
939 1 38 TYR QE 1 81 VAL MG2 . . 3.400 3.045 2.744 3.396 . 0 0 "[ . 1 . 2]" 1
940 1 39 TYR H 1 39 TYR HB2 . . 3.090 2.576 2.477 2.701 . 0 0 "[ . 1 . 2]" 1
941 1 39 TYR H 1 39 TYR HB3 . . 4.000 3.739 3.675 3.815 . 0 0 "[ . 1 . 2]" 1
942 1 39 TYR H 1 57 GLY H . . 4.710 4.198 3.836 4.529 . 0 0 "[ . 1 . 2]" 1
943 1 39 TYR H 1 58 VAL H . . 3.860 2.986 2.591 3.254 . 0 0 "[ . 1 . 2]" 1
944 1 39 TYR H 1 58 VAL HB . . 3.900 2.868 2.463 3.165 . 0 0 "[ . 1 . 2]" 1
945 1 39 TYR H 1 58 VAL MG1 . . 4.670 4.025 3.324 4.327 . 0 0 "[ . 1 . 2]" 1
946 1 39 TYR H 1 58 VAL QG . . 4.020 3.621 3.177 3.802 . 0 0 "[ . 1 . 2]" 1
947 1 39 TYR H 1 58 VAL MG2 . . 4.670 4.126 3.910 4.359 . 0 0 "[ . 1 . 2]" 1
948 1 39 TYR HA 1 40 GLY H . . 3.010 2.158 2.142 2.209 . 0 0 "[ . 1 . 2]" 1
949 1 39 TYR HA 1 78 VAL MG1 . . 4.780 3.955 3.729 4.194 . 0 0 "[ . 1 . 2]" 1
950 1 39 TYR HA 1 79 LEU H . . 4.800 4.281 3.951 4.597 . 0 0 "[ . 1 . 2]" 1
951 1 39 TYR HA 1 79 LEU QD . . 4.860 4.118 3.402 4.760 . 0 0 "[ . 1 . 2]" 1
952 1 39 TYR HA 1 80 ALA MB . . 4.690 4.203 3.888 4.589 . 0 0 "[ . 1 . 2]" 1
953 1 39 TYR HA 1 81 VAL H . . 3.660 3.033 2.814 3.274 . 0 0 "[ . 1 . 2]" 1
954 1 39 TYR HA 1 81 VAL MG2 . . 4.200 2.734 2.588 2.867 . 0 0 "[ . 1 . 2]" 1
955 1 39 TYR HB2 1 40 GLY H . . 4.490 4.301 4.112 4.448 . 0 0 "[ . 1 . 2]" 1
956 1 39 TYR HB2 1 41 ILE MD . . 5.500 4.967 4.652 5.168 . 0 0 "[ . 1 . 2]" 1
957 1 39 TYR HB2 1 58 VAL HB . . 3.630 2.794 2.140 3.156 . 0 0 "[ . 1 . 2]" 1
958 1 39 TYR HB2 1 58 VAL MG1 . . 4.560 3.164 2.634 3.516 . 0 0 "[ . 1 . 2]" 1
959 1 39 TYR HB2 1 58 VAL QG . . 3.740 3.075 2.581 3.382 . 0 0 "[ . 1 . 2]" 1
960 1 39 TYR HB2 1 58 VAL MG2 . . 4.560 4.207 3.703 4.467 . 0 0 "[ . 1 . 2]" 1
961 1 39 TYR HB2 1 78 VAL MG1 . . 4.010 3.296 2.908 3.635 . 0 0 "[ . 1 . 2]" 1
962 1 39 TYR HB2 1 79 LEU H . . 5.500 5.084 4.620 5.499 . 0 0 "[ . 1 . 2]" 1
963 1 39 TYR HB2 1 81 VAL MG2 . . 5.500 5.370 5.195 5.496 . 0 0 "[ . 1 . 2]" 1
964 1 39 TYR HB3 1 40 GLY H . . 3.880 3.382 3.009 3.673 . 0 0 "[ . 1 . 2]" 1
965 1 39 TYR HB3 1 41 ILE MD . . 5.500 5.073 4.712 5.329 . 0 0 "[ . 1 . 2]" 1
966 1 39 TYR HB3 1 41 ILE HG13 . . 5.110 4.657 4.362 4.926 . 0 0 "[ . 1 . 2]" 1
967 1 39 TYR HB3 1 58 VAL HB . . 4.510 4.024 3.362 4.462 . 0 0 "[ . 1 . 2]" 1
968 1 39 TYR HB3 1 58 VAL MG1 . . 5.370 4.255 3.623 4.684 . 0 0 "[ . 1 . 2]" 1
969 1 39 TYR HB3 1 58 VAL QG . . 4.570 3.998 3.431 4.371 . 0 0 "[ . 1 . 2]" 1
970 1 39 TYR HB3 1 58 VAL MG2 . . 5.370 4.867 4.243 5.234 . 0 0 "[ . 1 . 2]" 1
971 1 39 TYR HB3 1 78 VAL MG1 . . 3.520 2.228 1.976 2.484 . 0 0 "[ . 1 . 2]" 1
972 1 39 TYR HB3 1 78 VAL MG2 . . 5.410 4.482 4.208 4.709 . 0 0 "[ . 1 . 2]" 1
973 1 39 TYR HB3 1 79 LEU H . . 4.820 3.417 3.029 3.783 . 0 0 "[ . 1 . 2]" 1
974 1 39 TYR HB3 1 79 LEU QD . . 5.440 4.670 4.402 4.919 . 0 0 "[ . 1 . 2]" 1
975 1 39 TYR HB3 1 80 ALA MB . . 5.500 4.773 4.389 5.291 . 0 0 "[ . 1 . 2]" 1
976 1 39 TYR HD2 1 78 VAL MG1 . . 4.530 2.419 2.207 2.718 . 0 0 "[ . 1 . 2]" 1
977 1 39 TYR QE 1 80 ALA MB . . 3.730 2.331 1.993 2.895 . 0 0 "[ . 1 . 2]" 1
978 1 40 GLY H 1 78 VAL HA . . 5.450 5.158 4.763 5.451 0.001 18 0 "[ . 1 . 2]" 1
979 1 40 GLY H 1 78 VAL MG1 . . 4.190 3.818 3.449 4.108 . 0 0 "[ . 1 . 2]" 1
980 1 40 GLY H 1 79 LEU H . . 3.850 3.344 2.965 3.666 . 0 0 "[ . 1 . 2]" 1
981 1 40 GLY H 1 79 LEU HB2 . . 5.500 4.779 4.470 5.133 . 0 0 "[ . 1 . 2]" 1
982 1 40 GLY H 1 79 LEU MD1 . . 5.040 3.077 1.873 4.322 . 0 0 "[ . 1 . 2]" 1
983 1 40 GLY H 1 79 LEU QD . . 3.600 2.679 1.871 3.453 . 0 0 "[ . 1 . 2]" 1
984 1 40 GLY H 1 79 LEU MD2 . . 5.040 4.000 3.009 4.825 . 0 0 "[ . 1 . 2]" 1
985 1 40 GLY H 1 79 LEU HG . . 3.760 3.069 2.460 3.756 . 0 0 "[ . 1 . 2]" 1
986 1 40 GLY H 1 81 VAL H . . 4.730 4.406 4.101 4.677 . 0 0 "[ . 1 . 2]" 1
987 1 40 GLY H 1 81 VAL MG2 . . 4.080 2.297 1.968 2.631 . 0 0 "[ . 1 . 2]" 1
988 1 40 GLY HA2 1 41 ILE H . . 2.990 2.395 2.300 2.494 . 0 0 "[ . 1 . 2]" 1
989 1 40 GLY HA2 1 41 ILE HB . . 5.040 4.521 4.421 4.620 . 0 0 "[ . 1 . 2]" 1
990 1 40 GLY HA2 1 41 ILE MD . . 4.970 4.693 4.414 4.911 . 0 0 "[ . 1 . 2]" 1
991 1 40 GLY HA2 1 55 VAL H . . 4.850 4.386 4.213 4.585 . 0 0 "[ . 1 . 2]" 1
992 1 40 GLY HA2 1 56 ASP HA . . 3.480 2.851 2.565 3.006 . 0 0 "[ . 1 . 2]" 1
993 1 40 GLY HA2 1 57 GLY H . . 4.440 4.125 3.846 4.269 . 0 0 "[ . 1 . 2]" 1
994 1 40 GLY HA2 1 58 VAL H . . 5.140 4.571 4.432 4.808 . 0 0 "[ . 1 . 2]" 1
995 1 40 GLY HA2 1 58 VAL QG . . 4.750 3.453 3.200 3.719 . 0 0 "[ . 1 . 2]" 1
996 1 40 GLY HA2 1 79 LEU QD . . 4.310 3.769 3.409 4.179 . 0 0 "[ . 1 . 2]" 1
997 1 40 GLY HA3 1 41 ILE H . . 3.250 2.748 2.634 2.869 . 0 0 "[ . 1 . 2]" 1
998 1 40 GLY HA3 1 56 ASP HA . . 4.190 4.047 3.870 4.131 . 0 0 "[ . 1 . 2]" 1
999 1 40 GLY HA3 1 57 GLY H . . 5.500 5.463 5.354 5.502 0.002 12 0 "[ . 1 . 2]" 1
1000 1 40 GLY HA3 1 79 LEU H . . 4.950 4.253 4.071 4.421 . 0 0 "[ . 1 . 2]" 1
1001 1 40 GLY HA3 1 79 LEU MD1 . . 4.470 3.003 2.005 4.235 . 0 0 "[ . 1 . 2]" 1
1002 1 40 GLY HA3 1 79 LEU QD . . 3.620 2.503 2.000 3.131 . 0 0 "[ . 1 . 2]" 1
1003 1 40 GLY HA3 1 79 LEU MD2 . . 4.470 3.392 2.132 4.277 . 0 0 "[ . 1 . 2]" 1
1004 1 40 GLY HA3 1 79 LEU HG . . 4.380 3.261 2.766 3.673 . 0 0 "[ . 1 . 2]" 1
1005 1 41 ILE H 1 41 ILE HB . . 3.200 2.812 2.730 2.927 . 0 0 "[ . 1 . 2]" 1
1006 1 41 ILE H 1 41 ILE MD . . 4.700 4.230 4.017 4.437 . 0 0 "[ . 1 . 2]" 1
1007 1 41 ILE H 1 41 ILE HG12 . . 4.450 4.123 3.824 4.307 . 0 0 "[ . 1 . 2]" 1
1008 1 41 ILE H 1 41 ILE HG13 . . 3.790 3.064 2.874 3.293 . 0 0 "[ . 1 . 2]" 1
1009 1 41 ILE H 1 41 ILE MG . . 4.190 3.904 3.861 3.948 . 0 0 "[ . 1 . 2]" 1
1010 1 41 ILE H 1 42 GLN QB . . 5.500 5.388 5.210 5.500 0.000 1 0 "[ . 1 . 2]" 1
1011 1 41 ILE H 1 54 GLU HA . . 4.810 4.192 4.004 4.342 . 0 0 "[ . 1 . 2]" 1
1012 1 41 ILE H 1 54 GLU QG . . 4.530 4.126 3.737 4.382 . 0 0 "[ . 1 . 2]" 1
1013 1 41 ILE H 1 55 VAL HB . . 3.660 2.994 2.642 3.346 . 0 0 "[ . 1 . 2]" 1
1014 1 41 ILE H 1 55 VAL MG1 . . 4.740 4.078 3.840 4.376 . 0 0 "[ . 1 . 2]" 1
1015 1 41 ILE H 1 55 VAL MG2 . . 4.540 4.218 4.001 4.508 . 0 0 "[ . 1 . 2]" 1
1016 1 41 ILE H 1 56 ASP HA . . 4.390 4.255 3.981 4.391 0.001 19 0 "[ . 1 . 2]" 1
1017 1 41 ILE H 1 56 ASP QB . . 5.410 5.105 4.851 5.406 . 0 0 "[ . 1 . 2]" 1
1018 1 41 ILE H 1 58 VAL QG . . 4.460 4.194 3.905 4.408 . 0 0 "[ . 1 . 2]" 1
1019 1 41 ILE H 1 78 VAL HA . . 5.240 5.032 4.831 5.165 . 0 0 "[ . 1 . 2]" 1
1020 1 41 ILE H 1 79 LEU QD . . 5.310 3.811 3.117 4.335 . 0 0 "[ . 1 . 2]" 1
1021 1 41 ILE H 1 79 LEU HG . . 5.500 4.945 4.300 5.502 0.002 1 0 "[ . 1 . 2]" 1
1022 1 41 ILE HA 1 41 ILE MD . . 4.410 3.832 3.767 3.888 . 0 0 "[ . 1 . 2]" 1
1023 1 41 ILE HA 1 41 ILE MG . . 3.390 2.379 2.301 2.448 . 0 0 "[ . 1 . 2]" 1
1024 1 41 ILE HA 1 42 GLN H . . 2.970 2.174 2.146 2.221 . 0 0 "[ . 1 . 2]" 1
1025 1 41 ILE HA 1 77 ARG H . . 4.960 4.305 4.115 4.483 . 0 0 "[ . 1 . 2]" 1
1026 1 41 ILE HA 1 78 VAL H . . 5.500 5.013 4.800 5.132 . 0 0 "[ . 1 . 2]" 1
1027 1 41 ILE HA 1 78 VAL HA . . 4.860 2.595 2.438 2.720 . 0 0 "[ . 1 . 2]" 1
1028 1 41 ILE HA 1 78 VAL MG1 . . 4.480 3.657 3.524 3.824 . 0 0 "[ . 1 . 2]" 1
1029 1 41 ILE HA 1 78 VAL MG2 . . 4.380 3.539 3.214 3.769 . 0 0 "[ . 1 . 2]" 1
1030 1 41 ILE HA 1 79 LEU QD . . 5.190 3.495 2.894 4.219 . 0 0 "[ . 1 . 2]" 1
1031 1 41 ILE HB 1 41 ILE MD . . 3.260 2.369 2.224 2.437 . 0 0 "[ . 1 . 2]" 1
1032 1 41 ILE HB 1 42 GLN H . . 4.440 4.095 3.929 4.215 . 0 0 "[ . 1 . 2]" 1
1033 1 41 ILE HB 1 43 TYR QD . . 5.070 4.163 3.936 4.362 . 0 0 "[ . 1 . 2]" 1
1034 1 41 ILE HB 1 54 GLU HA . . 5.310 5.230 5.033 5.308 . 0 0 "[ . 1 . 2]" 1
1035 1 41 ILE HB 1 55 VAL H . . 4.640 3.738 3.490 3.975 . 0 0 "[ . 1 . 2]" 1
1036 1 41 ILE HB 1 55 VAL HB . . 3.390 2.139 1.999 2.421 . 0 0 "[ . 1 . 2]" 1
1037 1 41 ILE HB 1 55 VAL MG1 . . 3.850 3.422 3.224 3.639 . 0 0 "[ . 1 . 2]" 1
1038 1 41 ILE HB 1 55 VAL MG2 . . 3.670 3.125 2.768 3.397 . 0 0 "[ . 1 . 2]" 1
1039 1 41 ILE HB 1 58 VAL QG . . 4.310 3.876 3.586 4.112 . 0 0 "[ . 1 . 2]" 1
1040 1 41 ILE HB 1 78 VAL MG1 . . 5.500 5.153 4.838 5.331 . 0 0 "[ . 1 . 2]" 1
1041 1 41 ILE MD 1 41 ILE MG . . 2.940 2.092 1.912 2.260 . 0 0 "[ . 1 . 2]" 1
1042 1 41 ILE MD 1 42 GLN H . . 5.500 5.003 4.841 5.133 . 0 0 "[ . 1 . 2]" 1
1043 1 41 ILE MD 1 55 VAL H . . 5.500 5.405 5.263 5.502 0.002 14 0 "[ . 1 . 2]" 1
1044 1 41 ILE MD 1 55 VAL HB . . 3.960 3.478 3.261 3.791 . 0 0 "[ . 1 . 2]" 1
1045 1 41 ILE MD 1 55 VAL MG2 . . 4.280 3.923 3.602 4.218 . 0 0 "[ . 1 . 2]" 1
1046 1 41 ILE MD 1 58 VAL HB . . 4.300 3.795 3.346 4.148 . 0 0 "[ . 1 . 2]" 1
1047 1 41 ILE MD 1 58 VAL MG1 . . 3.490 2.793 2.463 3.085 . 0 0 "[ . 1 . 2]" 1
1048 1 41 ILE MD 1 58 VAL QG . . 2.940 2.111 1.838 2.416 . 0 0 "[ . 1 . 2]" 1
1049 1 41 ILE MD 1 58 VAL MG2 . . 3.490 2.198 1.874 2.536 . 0 0 "[ . 1 . 2]" 1
1050 1 41 ILE MD 1 63 TYR H . . 4.840 4.438 4.202 4.664 . 0 0 "[ . 1 . 2]" 1
1051 1 41 ILE MD 1 63 TYR HA . . 4.920 4.516 4.285 4.743 . 0 0 "[ . 1 . 2]" 1
1052 1 41 ILE MD 1 63 TYR HB2 . . 3.680 2.965 2.726 3.264 . 0 0 "[ . 1 . 2]" 1
1053 1 41 ILE MD 1 63 TYR HB3 . . 3.400 2.187 1.945 2.404 . 0 0 "[ . 1 . 2]" 1
1054 1 41 ILE MD 1 63 TYR QD . . 3.250 2.161 1.898 2.447 . 0 0 "[ . 1 . 2]" 1
1055 1 41 ILE MD 1 63 TYR QE . . 4.040 2.975 2.712 3.339 . 0 0 "[ . 1 . 2]" 1
1056 1 41 ILE MD 1 64 SER H . . 5.120 4.755 4.240 5.101 . 0 0 "[ . 1 . 2]" 1
1057 1 41 ILE MD 1 65 ILE HG12 . . 4.540 4.120 3.784 4.449 . 0 0 "[ . 1 . 2]" 1
1058 1 41 ILE MD 1 65 ILE HG13 . . 3.800 3.408 3.033 3.749 . 0 0 "[ . 1 . 2]" 1
1059 1 41 ILE MD 1 76 PHE QB . . 5.500 5.075 4.596 5.438 . 0 0 "[ . 1 . 2]" 1
1060 1 41 ILE MD 1 78 VAL MG1 . . 4.060 3.574 2.963 3.875 . 0 0 "[ . 1 . 2]" 1
1061 1 41 ILE MD 1 78 VAL MG2 . . 3.750 2.967 2.247 3.386 . 0 0 "[ . 1 . 2]" 1
1062 1 41 ILE HG12 1 41 ILE MG . . 3.380 2.301 2.184 2.422 . 0 0 "[ . 1 . 2]" 1
1063 1 41 ILE HG12 1 42 GLN H . . 4.680 4.324 4.190 4.413 . 0 0 "[ . 1 . 2]" 1
1064 1 41 ILE HG12 1 55 VAL HB . . 5.290 4.919 4.663 5.265 . 0 0 "[ . 1 . 2]" 1
1065 1 41 ILE HG12 1 58 VAL QG . . 4.270 3.800 3.408 4.195 . 0 0 "[ . 1 . 2]" 1
1066 1 41 ILE HG12 1 63 TYR HB3 . . 4.870 4.433 4.147 4.799 . 0 0 "[ . 1 . 2]" 1
1067 1 41 ILE HG12 1 78 VAL MG1 . . 4.170 2.789 2.525 3.018 . 0 0 "[ . 1 . 2]" 1
1068 1 41 ILE HG12 1 78 VAL MG2 . . 3.490 2.289 1.959 2.587 . 0 0 "[ . 1 . 2]" 1
1069 1 41 ILE HG13 1 41 ILE MG . . 3.540 3.186 3.170 3.202 . 0 0 "[ . 1 . 2]" 1
1070 1 41 ILE HG13 1 58 VAL QG . . 3.850 2.743 2.163 3.178 . 0 0 "[ . 1 . 2]" 1
1071 1 41 ILE HG13 1 78 VAL MG1 . . 3.930 3.352 2.924 3.522 . 0 0 "[ . 1 . 2]" 1
1072 1 41 ILE HG13 1 78 VAL MG2 . . 3.930 3.735 3.346 3.919 . 0 0 "[ . 1 . 2]" 1
1073 1 41 ILE MG 1 42 GLN H . . 3.170 2.217 2.028 2.414 . 0 0 "[ . 1 . 2]" 1
1074 1 41 ILE MG 1 42 GLN HA . . 4.550 3.549 3.370 3.753 . 0 0 "[ . 1 . 2]" 1
1075 1 41 ILE MG 1 43 TYR HA . . 4.960 4.809 4.682 4.959 . 0 0 "[ . 1 . 2]" 1
1076 1 41 ILE MG 1 43 TYR HB2 . . 5.040 4.882 4.674 5.026 . 0 0 "[ . 1 . 2]" 1
1077 1 41 ILE MG 1 43 TYR HB3 . . 4.300 3.465 3.267 3.626 . 0 0 "[ . 1 . 2]" 1
1078 1 41 ILE MG 1 43 TYR QD . . 3.510 2.529 2.281 2.793 . 0 0 "[ . 1 . 2]" 1
1079 1 41 ILE MG 1 54 GLU HA . . 5.500 5.213 5.033 5.328 . 0 0 "[ . 1 . 2]" 1
1080 1 41 ILE MG 1 55 VAL MG2 . . 3.760 3.451 3.212 3.758 . 0 0 "[ . 1 . 2]" 1
1081 1 41 ILE MG 1 63 TYR HB3 . . 4.790 4.455 4.278 4.698 . 0 0 "[ . 1 . 2]" 1
1082 1 41 ILE MG 1 63 TYR QD . . 3.980 3.530 3.280 3.851 . 0 0 "[ . 1 . 2]" 1
1083 1 41 ILE MG 1 63 TYR QE . . 4.130 3.800 3.454 4.038 . 0 0 "[ . 1 . 2]" 1
1084 1 41 ILE MG 1 65 ILE HG12 . . 3.800 2.858 2.587 3.174 . 0 0 "[ . 1 . 2]" 1
1085 1 41 ILE MG 1 65 ILE HG13 . . 4.100 3.169 2.917 3.404 . 0 0 "[ . 1 . 2]" 1
1086 1 41 ILE MG 1 65 ILE MG . . 4.160 3.977 3.704 4.162 0.002 2 0 "[ . 1 . 2]" 1
1087 1 41 ILE MG 1 76 PHE HA . . 4.440 3.957 3.693 4.245 . 0 0 "[ . 1 . 2]" 1
1088 1 41 ILE MG 1 76 PHE QB . . 3.850 3.443 3.097 3.618 . 0 0 "[ . 1 . 2]" 1
1089 1 41 ILE MG 1 76 PHE QD . . 4.160 3.198 2.922 3.404 . 0 0 "[ . 1 . 2]" 1
1090 1 41 ILE MG 1 76 PHE QE . . 5.070 4.569 4.316 4.795 . 0 0 "[ . 1 . 2]" 1
1091 1 41 ILE MG 1 77 ARG H . . 3.740 3.058 2.693 3.363 . 0 0 "[ . 1 . 2]" 1
1092 1 41 ILE MG 1 78 VAL HA . . 4.710 3.781 3.504 4.039 . 0 0 "[ . 1 . 2]" 1
1093 1 41 ILE MG 1 78 VAL MG1 . . 4.680 4.194 3.904 4.402 . 0 0 "[ . 1 . 2]" 1
1094 1 41 ILE MG 1 78 VAL MG2 . . 3.620 2.939 2.342 3.383 . 0 0 "[ . 1 . 2]" 1
1095 1 42 GLN H 1 42 GLN QB . . 3.350 2.542 2.441 2.634 . 0 0 "[ . 1 . 2]" 1
1096 1 42 GLN H 1 42 GLN QG . . 4.700 3.469 3.038 3.927 . 0 0 "[ . 1 . 2]" 1
1097 1 42 GLN H 1 43 TYR QD . . 4.470 4.141 3.677 4.471 0.001 12 0 "[ . 1 . 2]" 1
1098 1 42 GLN H 1 76 PHE QD . . 5.500 5.363 5.121 5.502 0.002 14 0 "[ . 1 . 2]" 1
1099 1 42 GLN H 1 77 ARG H . . 3.460 3.014 2.854 3.242 . 0 0 "[ . 1 . 2]" 1
1100 1 42 GLN H 1 77 ARG HB2 . . 5.300 4.937 4.539 5.197 . 0 0 "[ . 1 . 2]" 1
1101 1 42 GLN H 1 77 ARG HE . . 5.500 4.970 4.208 5.504 0.004 12 0 "[ . 1 . 2]" 1
1102 1 42 GLN H 1 77 ARG HG2 . . 4.900 3.250 2.451 3.890 . 0 0 "[ . 1 . 2]" 1
1103 1 42 GLN H 1 77 ARG HG3 . . 4.820 3.027 2.321 3.464 . 0 0 "[ . 1 . 2]" 1
1104 1 42 GLN H 1 78 VAL H . . 5.280 5.176 5.001 5.281 0.001 2 0 "[ . 1 . 2]" 1
1105 1 42 GLN H 1 78 VAL HA . . 3.890 3.791 3.544 3.889 . 0 0 "[ . 1 . 2]" 1
1106 1 42 GLN H 1 78 VAL MG2 . . 4.660 4.447 4.071 4.659 . 0 0 "[ . 1 . 2]" 1
1107 1 42 GLN H 1 79 LEU QD . . 4.690 3.893 3.347 4.441 . 0 0 "[ . 1 . 2]" 1
1108 1 42 GLN HA 1 42 GLN HG2 . . 3.580 3.019 2.320 3.659 0.079 20 0 "[ . 1 . 2]" 1
1109 1 42 GLN HA 1 42 GLN HG3 . . 3.580 2.581 2.203 3.108 . 0 0 "[ . 1 . 2]" 1
1110 1 42 GLN HA 1 43 TYR H . . 2.820 2.168 2.142 2.220 . 0 0 "[ . 1 . 2]" 1
1111 1 42 GLN HA 1 43 TYR QD . . 4.170 3.198 2.740 3.604 . 0 0 "[ . 1 . 2]" 1
1112 1 42 GLN HA 1 52 PHE HB2 . . 5.500 5.124 3.531 5.495 . 0 0 "[ . 1 . 2]" 1
1113 1 42 GLN HA 1 52 PHE HB3 . . 4.650 3.965 3.602 4.313 . 0 0 "[ . 1 . 2]" 1
1114 1 42 GLN HA 1 52 PHE QD . . 5.370 4.852 4.165 5.268 . 0 0 "[ . 1 . 2]" 1
1115 1 42 GLN HA 1 53 GLN H . . 4.620 4.450 4.021 4.610 . 0 0 "[ . 1 . 2]" 1
1116 1 42 GLN HA 1 54 GLU H . . 5.010 4.732 4.349 4.956 . 0 0 "[ . 1 . 2]" 1
1117 1 42 GLN HA 1 54 GLU HA . . 3.410 3.129 2.788 3.407 . 0 0 "[ . 1 . 2]" 1
1118 1 42 GLN HA 1 54 GLU QG . . 5.340 4.823 4.172 5.341 0.001 16 0 "[ . 1 . 2]" 1
1119 1 42 GLN QB 1 43 TYR H . . 3.610 3.128 2.919 3.327 . 0 0 "[ . 1 . 2]" 1
1120 1 42 GLN QB 1 43 TYR HA . . 4.830 4.009 3.896 4.081 . 0 0 "[ . 1 . 2]" 1
1121 1 42 GLN QB 1 52 PHE HB2 . . 4.040 3.284 2.086 3.996 . 0 0 "[ . 1 . 2]" 1
1122 1 42 GLN QB 1 52 PHE HB3 . . 3.900 2.587 2.214 3.575 . 0 0 "[ . 1 . 2]" 1
1123 1 42 GLN QB 1 52 PHE QD . . 4.130 3.204 2.720 3.725 . 0 0 "[ . 1 . 2]" 1
1124 1 42 GLN QB 1 54 GLU HA . . 4.880 4.401 4.056 4.760 . 0 0 "[ . 1 . 2]" 1
1125 1 42 GLN QB 1 77 ARG HD2 . . 4.870 3.132 1.987 4.068 . 0 0 "[ . 1 . 2]" 1
1126 1 42 GLN QB 1 77 ARG QD . . 4.190 2.794 1.975 3.643 . 0 0 "[ . 1 . 2]" 1
1127 1 42 GLN QB 1 77 ARG HD3 . . 4.870 3.657 2.230 4.402 . 0 0 "[ . 1 . 2]" 1
1128 1 42 GLN QB 1 77 ARG HG3 . . 4.230 2.308 1.988 2.709 . 0 0 "[ . 1 . 2]" 1
1129 1 42 GLN QE 1 42 GLN QG . . 3.000 2.170 2.066 2.608 . 0 0 "[ . 1 . 2]" 1
1130 1 42 GLN QE 1 54 GLU HA . . 5.340 4.440 3.598 5.321 . 0 0 "[ . 1 . 2]" 1
1131 1 42 GLN QE 1 79 LEU QD . . 3.610 2.000 1.671 2.646 . 0 0 "[ . 1 . 2]" 1
1132 1 42 GLN QE 1 79 LEU HG . . 5.340 3.968 2.357 4.949 . 0 0 "[ . 1 . 2]" 1
1133 1 42 GLN HE22 1 42 GLN HG2 . . 4.080 3.725 3.437 4.075 . 0 0 "[ . 1 . 2]" 1
1134 1 42 GLN HE22 1 42 GLN HG3 . . 4.080 3.636 3.438 4.083 0.003 20 0 "[ . 1 . 2]" 1
1135 1 42 GLN QG 1 43 TYR H . . 4.260 3.901 3.702 4.033 . 0 0 "[ . 1 . 2]" 1
1136 1 42 GLN QG 1 52 PHE HB2 . . 4.410 3.873 3.418 4.399 . 0 0 "[ . 1 . 2]" 1
1137 1 42 GLN QG 1 52 PHE HB3 . . 5.340 3.698 3.128 5.080 . 0 0 "[ . 1 . 2]" 1
1138 1 42 GLN QG 1 54 GLU HA . . 3.790 2.566 2.086 3.042 . 0 0 "[ . 1 . 2]" 1
1139 1 42 GLN QG 1 55 VAL H . . 5.340 3.796 3.448 4.394 . 0 0 "[ . 1 . 2]" 1
1140 1 42 GLN QG 1 79 LEU QD . . 3.640 3.258 2.511 3.660 0.020 14 0 "[ . 1 . 2]" 1
1141 1 42 GLN HG2 1 43 TYR H . . 5.100 4.507 3.954 5.082 . 0 0 "[ . 1 . 2]" 1
1142 1 42 GLN HG3 1 43 TYR H . . 5.100 4.478 3.823 5.095 . 0 0 "[ . 1 . 2]" 1
1143 1 43 TYR H 1 43 TYR QD . . 3.410 2.681 2.278 2.960 . 0 0 "[ . 1 . 2]" 1
1144 1 43 TYR H 1 43 TYR QE . . 4.480 4.181 3.898 4.424 . 0 0 "[ . 1 . 2]" 1
1145 1 43 TYR H 1 44 ARG H . . 4.400 4.354 4.288 4.405 0.005 5 0 "[ . 1 . 2]" 1
1146 1 43 TYR H 1 44 ARG QB . . 5.340 4.328 4.027 4.588 . 0 0 "[ . 1 . 2]" 1
1147 1 43 TYR H 1 52 PHE HA . . 4.720 4.535 4.208 4.722 0.002 18 0 "[ . 1 . 2]" 1
1148 1 43 TYR H 1 52 PHE HB2 . . 5.140 4.827 2.981 5.146 0.006 16 0 "[ . 1 . 2]" 1
1149 1 43 TYR H 1 52 PHE HB3 . . 3.740 3.233 2.531 3.444 . 0 0 "[ . 1 . 2]" 1
1150 1 43 TYR H 1 52 PHE QD . . 4.220 3.813 3.303 4.063 . 0 0 "[ . 1 . 2]" 1
1151 1 43 TYR H 1 53 GLN H . . 3.570 3.009 2.426 3.182 . 0 0 "[ . 1 . 2]" 1
1152 1 43 TYR H 1 53 GLN HA . . 4.940 4.645 4.338 4.941 0.001 4 0 "[ . 1 . 2]" 1
1153 1 43 TYR H 1 53 GLN QB . . 3.980 2.453 2.042 2.717 . 0 0 "[ . 1 . 2]" 1
1154 1 43 TYR HA 1 43 TYR QD . . 4.110 3.717 3.647 3.742 . 0 0 "[ . 1 . 2]" 1
1155 1 43 TYR HA 1 44 ARG H . . 2.850 2.284 2.217 2.427 . 0 0 "[ . 1 . 2]" 1
1156 1 43 TYR HA 1 44 ARG QB . . 5.230 3.944 3.872 4.206 . 0 0 "[ . 1 . 2]" 1
1157 1 43 TYR HA 1 52 PHE QD . . 3.670 2.945 2.047 3.369 . 0 0 "[ . 1 . 2]" 1
1158 1 43 TYR HA 1 52 PHE QE . . 4.870 4.090 3.180 4.608 . 0 0 "[ . 1 . 2]" 1
1159 1 43 TYR HA 1 74 TYR QD . . 5.450 4.556 4.209 4.961 . 0 0 "[ . 1 . 2]" 1
1160 1 43 TYR HA 1 75 ALA H . . 4.860 4.148 3.941 4.411 . 0 0 "[ . 1 . 2]" 1
1161 1 43 TYR HA 1 75 ALA MB . . 4.730 4.030 3.817 4.214 . 0 0 "[ . 1 . 2]" 1
1162 1 43 TYR HA 1 76 PHE HA . . 3.530 3.044 2.591 3.326 . 0 0 "[ . 1 . 2]" 1
1163 1 43 TYR HA 1 76 PHE QD . . 4.880 4.422 4.116 4.618 . 0 0 "[ . 1 . 2]" 1
1164 1 43 TYR HA 1 76 PHE QE . . 5.500 5.424 5.113 5.498 . 0 0 "[ . 1 . 2]" 1
1165 1 43 TYR HA 1 77 ARG H . . 4.610 4.366 4.150 4.577 . 0 0 "[ . 1 . 2]" 1
1166 1 43 TYR HB2 1 44 ARG H . . 3.420 2.747 2.371 2.958 . 0 0 "[ . 1 . 2]" 1
1167 1 43 TYR HB2 1 74 TYR QD . . 4.460 3.168 2.828 3.480 . 0 0 "[ . 1 . 2]" 1
1168 1 43 TYR HB2 1 75 ALA MB . . 5.280 5.027 4.679 5.292 0.012 18 0 "[ . 1 . 2]" 1
1169 1 43 TYR HB2 1 76 PHE HA . . 4.230 3.602 3.256 3.800 . 0 0 "[ . 1 . 2]" 1
1170 1 43 TYR HB2 1 76 PHE QD . . 3.840 3.364 2.743 3.575 . 0 0 "[ . 1 . 2]" 1
1171 1 43 TYR HB2 1 76 PHE QE . . 4.080 3.440 2.986 3.601 . 0 0 "[ . 1 . 2]" 1
1172 1 43 TYR HB2 1 77 ARG H . . 5.500 5.423 5.109 5.504 0.004 14 0 "[ . 1 . 2]" 1
1173 1 43 TYR HB3 1 44 ARG H . . 4.190 3.920 3.647 4.084 . 0 0 "[ . 1 . 2]" 1
1174 1 43 TYR HB3 1 65 ILE MD . . 4.920 4.265 3.999 4.623 . 0 0 "[ . 1 . 2]" 1
1175 1 43 TYR HB3 1 76 PHE HA . . 4.120 2.640 2.407 2.780 . 0 0 "[ . 1 . 2]" 1
1176 1 43 TYR HB3 1 76 PHE QD . . 3.580 2.311 2.003 2.531 . 0 0 "[ . 1 . 2]" 1
1177 1 43 TYR HB3 1 76 PHE QE . . 4.210 3.461 3.283 3.716 . 0 0 "[ . 1 . 2]" 1
1178 1 43 TYR HB3 1 77 ARG H . . 4.530 3.968 3.790 4.095 . 0 0 "[ . 1 . 2]" 1
1179 1 43 TYR QD 1 44 ARG H . . 3.990 3.849 3.572 3.993 0.003 2 0 "[ . 1 . 2]" 1
1180 1 43 TYR QD 1 53 GLN H . . 5.020 4.643 4.387 4.816 . 0 0 "[ . 1 . 2]" 1
1181 1 43 TYR QD 1 53 GLN QB . . 3.700 3.175 2.986 3.359 . 0 0 "[ . 1 . 2]" 1
1182 1 43 TYR QD 1 54 GLU HA . . 5.500 5.254 5.002 5.483 . 0 0 "[ . 1 . 2]" 1
1183 1 43 TYR QD 1 55 VAL MG2 . . 3.970 3.600 3.295 3.894 . 0 0 "[ . 1 . 2]" 1
1184 1 43 TYR QD 1 65 ILE MD . . 4.900 4.338 4.096 4.625 . 0 0 "[ . 1 . 2]" 1
1185 1 43 TYR QD 1 65 ILE HG13 . . 5.050 4.472 4.087 4.796 . 0 0 "[ . 1 . 2]" 1
1186 1 43 TYR QD 1 65 ILE MG . . 3.870 3.006 2.651 3.383 . 0 0 "[ . 1 . 2]" 1
1187 1 43 TYR QD 1 68 LEU MD2 . . 3.590 2.429 2.099 2.812 . 0 0 "[ . 1 . 2]" 1
1188 1 43 TYR QD 1 74 TYR HB3 . . 4.460 3.803 3.487 4.139 . 0 0 "[ . 1 . 2]" 1
1189 1 43 TYR QD 1 74 TYR QD . . 3.550 2.828 2.423 3.251 . 0 0 "[ . 1 . 2]" 1
1190 1 43 TYR QD 1 74 TYR QE . . 4.490 3.706 3.054 4.383 . 0 0 "[ . 1 . 2]" 1
1191 1 43 TYR QD 1 75 ALA H . . 5.500 5.442 5.350 5.505 0.005 6 0 "[ . 1 . 2]" 1
1192 1 43 TYR QD 1 76 PHE HA . . 4.600 4.525 4.302 4.607 0.007 18 0 "[ . 1 . 2]" 1
1193 1 43 TYR QD 1 76 PHE QD . . 4.070 3.578 3.140 3.804 . 0 0 "[ . 1 . 2]" 1
1194 1 43 TYR QE 1 53 GLN HA . . 5.500 5.430 5.262 5.510 0.010 18 0 "[ . 1 . 2]" 1
1195 1 43 TYR QE 1 53 GLN HB2 . . 4.160 3.310 2.982 3.486 . 0 0 "[ . 1 . 2]" 1
1196 1 43 TYR QE 1 53 GLN QB . . 3.470 2.940 2.759 3.088 . 0 0 "[ . 1 . 2]" 1
1197 1 43 TYR QE 1 53 GLN HB3 . . 4.160 3.315 2.992 3.517 . 0 0 "[ . 1 . 2]" 1
1198 1 43 TYR QE 1 53 GLN QG . . 4.270 3.040 2.344 3.999 . 0 0 "[ . 1 . 2]" 1
1199 1 43 TYR QE 1 54 GLU H . . 5.360 4.763 4.432 5.054 . 0 0 "[ . 1 . 2]" 1
1200 1 43 TYR QE 1 54 GLU HA . . 5.480 5.195 4.903 5.467 . 0 0 "[ . 1 . 2]" 1
1201 1 43 TYR QE 1 55 VAL H . . 5.440 4.953 4.611 5.344 . 0 0 "[ . 1 . 2]" 1
1202 1 43 TYR QE 1 55 VAL HA . . 5.500 5.439 5.288 5.502 0.002 12 0 "[ . 1 . 2]" 1
1203 1 43 TYR QE 1 55 VAL HB . . 4.780 4.135 3.738 4.378 . 0 0 "[ . 1 . 2]" 1
1204 1 43 TYR QE 1 55 VAL MG1 . . 4.750 4.452 4.287 4.598 . 0 0 "[ . 1 . 2]" 1
1205 1 43 TYR QE 1 55 VAL MG2 . . 3.180 2.129 1.978 2.243 . 0 0 "[ . 1 . 2]" 1
1206 1 43 TYR QE 1 65 ILE MD . . 4.960 4.904 4.790 4.968 0.008 18 0 "[ . 1 . 2]" 1
1207 1 43 TYR QE 1 65 ILE MG . . 3.660 2.637 2.297 2.934 . 0 0 "[ . 1 . 2]" 1
1208 1 43 TYR QE 1 68 LEU HA . . 5.500 4.995 4.532 5.402 . 0 0 "[ . 1 . 2]" 1
1209 1 43 TYR QE 1 68 LEU MD2 . . 3.300 2.198 1.868 2.534 . 0 0 "[ . 1 . 2]" 1
1210 1 44 ARG H 1 44 ARG QB . . 3.640 2.847 2.719 3.277 . 0 0 "[ . 1 . 2]" 1
1211 1 44 ARG H 1 44 ARG QD . . 5.340 4.892 4.119 5.327 . 0 0 "[ . 1 . 2]" 1
1212 1 44 ARG H 1 44 ARG HG2 . . 4.960 4.620 3.038 4.994 0.034 16 0 "[ . 1 . 2]" 1
1213 1 44 ARG H 1 44 ARG QG . . 4.210 3.971 2.708 4.171 . 0 0 "[ . 1 . 2]" 1
1214 1 44 ARG H 1 44 ARG HG3 . . 4.960 4.429 2.746 4.948 . 0 0 "[ . 1 . 2]" 1
1215 1 44 ARG H 1 45 ALA H . . 4.540 4.289 4.220 4.379 . 0 0 "[ . 1 . 2]" 1
1216 1 44 ARG H 1 45 ALA HA . . 5.180 4.881 4.715 5.078 . 0 0 "[ . 1 . 2]" 1
1217 1 44 ARG H 1 52 PHE QD . . 3.800 3.483 2.669 3.807 0.007 18 0 "[ . 1 . 2]" 1
1218 1 44 ARG H 1 52 PHE QE . . 5.290 3.727 3.022 4.774 . 0 0 "[ . 1 . 2]" 1
1219 1 44 ARG H 1 53 GLN H . . 5.500 4.943 4.606 5.245 . 0 0 "[ . 1 . 2]" 1
1220 1 44 ARG H 1 74 TYR HB2 . . 5.500 5.277 4.901 5.504 0.004 3 0 "[ . 1 . 2]" 1
1221 1 44 ARG H 1 74 TYR QD . . 3.950 2.830 2.514 3.281 . 0 0 "[ . 1 . 2]" 1
1222 1 44 ARG H 1 75 ALA MB . . 4.010 3.607 3.427 3.922 . 0 0 "[ . 1 . 2]" 1
1223 1 44 ARG H 1 76 PHE HA . . 4.980 4.682 4.304 4.980 . 0 0 "[ . 1 . 2]" 1
1224 1 44 ARG HA 1 45 ALA H . . 2.950 2.286 2.199 2.547 . 0 0 "[ . 1 . 2]" 1
1225 1 44 ARG HA 1 45 ALA MB . . 4.360 4.084 3.982 4.328 . 0 0 "[ . 1 . 2]" 1
1226 1 44 ARG HA 1 53 GLN H . . 4.340 3.888 3.626 4.321 . 0 0 "[ . 1 . 2]" 1
1227 1 44 ARG HA 1 75 ALA H . . 5.500 5.015 4.731 5.206 . 0 0 "[ . 1 . 2]" 1
1228 1 44 ARG QB 1 44 ARG QD . . 3.220 2.179 2.001 2.382 . 0 0 "[ . 1 . 2]" 1
1229 1 44 ARG QB 1 45 ALA H . . 3.620 3.388 2.205 3.626 0.006 10 0 "[ . 1 . 2]" 1
1230 1 44 ARG QB 1 52 PHE H . . 4.740 4.312 4.007 4.637 . 0 0 "[ . 1 . 2]" 1
1231 1 44 ARG QB 1 52 PHE HA . . 3.360 2.017 1.944 2.233 . 0 0 "[ . 1 . 2]" 1
1232 1 44 ARG QB 1 52 PHE HB3 . . 4.360 3.207 2.108 3.531 . 0 0 "[ . 1 . 2]" 1
1233 1 44 ARG QB 1 52 PHE QD . . 4.110 2.646 2.278 3.389 . 0 0 "[ . 1 . 2]" 1
1234 1 44 ARG QB 1 53 GLN H . . 3.860 2.897 2.138 3.458 . 0 0 "[ . 1 . 2]" 1
1235 1 44 ARG HB2 1 45 ALA H . . 4.160 3.737 2.222 4.068 . 0 0 "[ . 1 . 2]" 1
1236 1 44 ARG HB2 1 52 PHE HA . . 3.970 2.138 1.998 2.972 . 0 0 "[ . 1 . 2]" 1
1237 1 44 ARG HB2 1 52 PHE HB3 . . 5.090 3.573 2.481 5.052 . 0 0 "[ . 1 . 2]" 1
1238 1 44 ARG HB2 1 52 PHE QD . . 4.840 3.281 2.747 4.593 . 0 0 "[ . 1 . 2]" 1
1239 1 44 ARG HB3 1 45 ALA H . . 4.160 3.972 3.700 4.122 . 0 0 "[ . 1 . 2]" 1
1240 1 44 ARG HB3 1 52 PHE HA . . 3.970 3.172 1.995 3.723 . 0 0 "[ . 1 . 2]" 1
1241 1 44 ARG HB3 1 52 PHE HB3 . . 5.090 3.908 2.280 4.474 . 0 0 "[ . 1 . 2]" 1
1242 1 44 ARG HB3 1 52 PHE QD . . 4.840 2.863 2.293 3.490 . 0 0 "[ . 1 . 2]" 1
1243 1 44 ARG QD 1 45 ALA H . . 4.440 3.495 2.290 4.345 . 0 0 "[ . 1 . 2]" 1
1244 1 44 ARG QD 1 50 GLY H . . 4.190 3.533 2.441 4.145 . 0 0 "[ . 1 . 2]" 1
1245 1 44 ARG QD 1 51 PRO HA . . 5.340 4.481 3.750 5.270 . 0 0 "[ . 1 . 2]" 1
1246 1 44 ARG QD 1 52 PHE H . . 4.900 4.105 3.262 4.907 0.007 19 0 "[ . 1 . 2]" 1
1247 1 44 ARG QD 1 52 PHE QD . . 4.460 3.271 2.079 4.093 . 0 0 "[ . 1 . 2]" 1
1248 1 44 ARG HD2 1 45 ALA H . . 5.090 3.806 2.307 4.872 . 0 0 "[ . 1 . 2]" 1
1249 1 44 ARG HD2 1 52 PHE HA . . 4.540 3.011 2.012 4.555 0.015 19 0 "[ . 1 . 2]" 1
1250 1 44 ARG HD2 1 52 PHE QD . . 5.160 4.019 2.564 5.132 . 0 0 "[ . 1 . 2]" 1
1251 1 44 ARG HD3 1 45 ALA H . . 5.090 4.400 3.291 5.036 . 0 0 "[ . 1 . 2]" 1
1252 1 44 ARG HD3 1 52 PHE HA . . 4.540 3.374 2.410 4.463 . 0 0 "[ . 1 . 2]" 1
1253 1 44 ARG HD3 1 52 PHE QD . . 5.160 3.739 2.185 5.072 . 0 0 "[ . 1 . 2]" 1
1254 1 44 ARG QG 1 45 ALA H . . 3.610 2.277 1.888 3.658 0.048 19 0 "[ . 1 . 2]" 1
1255 1 44 ARG QG 1 52 PHE QD . . 4.700 3.600 2.335 4.237 . 0 0 "[ . 1 . 2]" 1
1256 1 44 ARG QG 1 52 PHE QE . . 4.670 3.327 2.248 4.400 . 0 0 "[ . 1 . 2]" 1
1257 1 44 ARG QG 1 53 GLN H . . 5.340 4.765 3.590 5.292 . 0 0 "[ . 1 . 2]" 1
1258 1 44 ARG QG 1 75 ALA MB . . 5.340 5.069 3.626 5.344 0.004 18 0 "[ . 1 . 2]" 1
1259 1 44 ARG HG2 1 52 PHE HA . . 4.930 3.985 1.993 4.855 . 0 0 "[ . 1 . 2]" 1
1260 1 44 ARG HG3 1 52 PHE HA . . 4.930 4.337 3.380 4.724 . 0 0 "[ . 1 . 2]" 1
1261 1 45 ALA H 1 45 ALA MB . . 2.760 2.153 2.035 2.247 . 0 0 "[ . 1 . 2]" 1
1262 1 45 ALA H 1 46 ALA H . . 4.560 4.445 4.344 4.555 . 0 0 "[ . 1 . 2]" 1
1263 1 45 ALA H 1 74 TYR QD . . 4.640 3.293 2.716 3.911 . 0 0 "[ . 1 . 2]" 1
1264 1 45 ALA H 1 74 TYR QE . . 4.250 2.339 1.923 3.151 . 0 0 "[ . 1 . 2]" 1
1265 1 45 ALA HA 1 46 ALA H . . 2.720 2.150 2.141 2.169 . 0 0 "[ . 1 . 2]" 1
1266 1 45 ALA HA 1 74 TYR HB3 . . 4.950 4.398 3.970 4.952 0.002 19 0 "[ . 1 . 2]" 1
1267 1 45 ALA HA 1 74 TYR QD . . 3.750 3.062 2.782 3.541 . 0 0 "[ . 1 . 2]" 1
1268 1 45 ALA HA 1 74 TYR QE . . 4.400 3.063 2.842 3.524 . 0 0 "[ . 1 . 2]" 1
1269 1 45 ALA HA 1 75 ALA H . . 5.120 4.490 4.194 5.120 . 0 0 "[ . 1 . 2]" 1
1270 1 45 ALA MB 1 46 ALA H . . 3.390 3.282 3.044 3.414 0.024 19 0 "[ . 1 . 2]" 1
1271 1 45 ALA MB 1 48 THR H . . 4.300 3.560 2.614 4.306 0.006 18 0 "[ . 1 . 2]" 1
1272 1 45 ALA MB 1 48 THR HB . . 4.290 3.353 1.932 4.272 . 0 0 "[ . 1 . 2]" 1
1273 1 45 ALA MB 1 74 TYR QE . . 3.580 2.841 2.457 3.577 . 0 0 "[ . 1 . 2]" 1
1274 1 46 ALA H 1 46 ALA MB . . 2.920 2.173 2.038 2.249 . 0 0 "[ . 1 . 2]" 1
1275 1 46 ALA H 1 47 GLY QA . . 5.340 5.092 4.844 5.321 . 0 0 "[ . 1 . 2]" 1
1276 1 46 ALA H 1 73 GLU HB2 . . 5.500 5.299 5.053 5.469 . 0 0 "[ . 1 . 2]" 1
1277 1 46 ALA H 1 73 GLU HB3 . . 4.910 3.720 3.448 3.952 . 0 0 "[ . 1 . 2]" 1
1278 1 46 ALA H 1 73 GLU HG2 . . 5.500 4.751 4.438 5.227 . 0 0 "[ . 1 . 2]" 1
1279 1 46 ALA H 1 74 TYR H . . 4.980 4.379 4.130 4.635 . 0 0 "[ . 1 . 2]" 1
1280 1 46 ALA H 1 74 TYR HB3 . . 5.120 4.648 4.285 5.006 . 0 0 "[ . 1 . 2]" 1
1281 1 46 ALA H 1 74 TYR QD . . 4.200 3.917 3.709 4.201 0.001 4 0 "[ . 1 . 2]" 1
1282 1 46 ALA H 1 75 ALA MB . . 5.160 4.670 4.348 5.117 . 0 0 "[ . 1 . 2]" 1
1283 1 46 ALA HA 1 75 ALA H . . 5.430 4.177 3.481 4.630 . 0 0 "[ . 1 . 2]" 1
1284 1 46 ALA HA 1 75 ALA MB . . 4.190 3.702 2.856 4.188 . 0 0 "[ . 1 . 2]" 1
1285 1 46 ALA MB 1 47 GLY QA . . 4.950 3.758 3.362 3.907 . 0 0 "[ . 1 . 2]" 1
1286 1 46 ALA MB 1 73 GLU H . . 4.240 4.004 3.778 4.243 0.003 18 0 "[ . 1 . 2]" 1
1287 1 46 ALA MB 1 73 GLU HB2 . . 3.690 3.599 3.489 3.688 . 0 0 "[ . 1 . 2]" 1
1288 1 46 ALA MB 1 73 GLU HB3 . . 3.530 2.053 1.960 2.202 . 0 0 "[ . 1 . 2]" 1
1289 1 46 ALA MB 1 73 GLU HG2 . . 3.640 2.692 2.360 2.912 . 0 0 "[ . 1 . 2]" 1
1290 1 46 ALA MB 1 73 GLU HG3 . . 4.210 3.762 2.666 4.191 . 0 0 "[ . 1 . 2]" 1
1291 1 46 ALA MB 1 74 TYR H . . 4.680 3.732 3.025 4.110 . 0 0 "[ . 1 . 2]" 1
1292 1 46 ALA MB 1 75 ALA H . . 4.210 3.615 2.657 4.218 0.008 18 0 "[ . 1 . 2]" 1
1293 1 46 ALA MB 1 75 ALA HA . . 5.060 4.511 3.680 4.913 . 0 0 "[ . 1 . 2]" 1
1294 1 46 ALA MB 1 75 ALA MB . . 3.710 3.308 2.730 3.566 . 0 0 "[ . 1 . 2]" 1
1295 1 46 ALA MB 1 94 ARG HB2 . . 5.500 5.332 4.947 5.502 0.002 7 0 "[ . 1 . 2]" 1
1296 1 46 ALA MB 1 94 ARG QD . . 3.650 2.671 2.352 3.161 . 0 0 "[ . 1 . 2]" 1
1297 1 46 ALA MB 1 94 ARG HG2 . . 4.170 3.398 2.959 3.776 . 0 0 "[ . 1 . 2]" 1
1298 1 48 THR H 1 48 THR HB . . 3.800 2.703 2.367 3.214 . 0 0 "[ . 1 . 2]" 1
1299 1 48 THR H 1 48 THR MG . . 4.020 3.236 1.860 3.954 . 0 0 "[ . 1 . 2]" 1
1300 1 48 THR H 1 49 GLU H . . 4.810 4.415 3.023 4.640 . 0 0 "[ . 1 . 2]" 1
1301 1 48 THR HA 1 48 THR MG . . 3.630 2.628 2.149 3.199 . 0 0 "[ . 1 . 2]" 1
1302 1 48 THR HA 1 50 GLY H . . 4.790 4.521 3.880 4.790 . 0 0 "[ . 1 . 2]" 1
1303 1 48 THR HB 1 49 GLU H . . 4.040 3.781 2.549 4.046 0.006 4 0 "[ . 1 . 2]" 1
1304 1 48 THR HB 1 50 GLY H . . 4.740 3.844 2.835 4.742 0.002 2 0 "[ . 1 . 2]" 1
1305 1 48 THR MG 1 49 GLU H . . 5.170 2.478 1.940 3.465 . 0 0 "[ . 1 . 2]" 1
1306 1 48 THR MG 1 49 GLU QB . . 4.540 4.101 3.604 4.539 . 0 0 "[ . 1 . 2]" 1
1307 1 48 THR MG 1 50 GLY H . . 4.430 2.496 1.864 3.381 . 0 0 "[ . 1 . 2]" 1
1308 1 49 GLU H 1 50 GLY H . . 4.230 3.147 2.053 3.770 . 0 0 "[ . 1 . 2]" 1
1309 1 49 GLU HA 1 49 GLU HG2 . . 4.000 2.807 2.212 3.721 . 0 0 "[ . 1 . 2]" 1
1310 1 49 GLU HA 1 49 GLU QG . . 3.430 2.544 2.163 3.335 . 0 0 "[ . 1 . 2]" 1
1311 1 49 GLU HA 1 49 GLU HG3 . . 4.000 3.112 2.279 3.932 . 0 0 "[ . 1 . 2]" 1
1312 1 49 GLU HA 1 50 GLY H . . 3.330 2.702 2.425 3.454 0.124 18 0 "[ . 1 . 2]" 1
1313 1 49 GLU HB2 1 50 GLY H . . 4.670 4.340 3.026 4.655 . 0 0 "[ . 1 . 2]" 1
1314 1 49 GLU HB3 1 50 GLY H . . 4.670 4.351 3.945 4.650 . 0 0 "[ . 1 . 2]" 1
1315 1 49 GLU QG 1 50 GLY H . . 5.090 4.330 3.937 4.646 . 0 0 "[ . 1 . 2]" 1
1316 1 49 GLU QG 1 50 GLY QA . . 5.340 4.807 3.766 5.377 0.037 10 0 "[ . 1 . 2]" 1
1317 1 50 GLY H 1 51 PRO QD . . 4.500 4.116 2.926 4.362 . 0 0 "[ . 1 . 2]" 1
1318 1 50 GLY QA 1 51 PRO HB3 . . 4.880 4.591 4.579 4.631 . 0 0 "[ . 1 . 2]" 1
1319 1 50 GLY QA 1 51 PRO QD . . 2.740 1.980 1.898 2.085 . 0 0 "[ . 1 . 2]" 1
1320 1 50 GLY QA 1 51 PRO HG2 . . 4.490 4.040 3.989 4.369 . 0 0 "[ . 1 . 2]" 1
1321 1 50 GLY QA 1 51 PRO QG . . 3.890 3.690 3.656 3.889 . 0 0 "[ . 1 . 2]" 1
1322 1 50 GLY QA 1 51 PRO HG3 . . 4.490 4.268 4.246 4.363 . 0 0 "[ . 1 . 2]" 1
1323 1 51 PRO HA 1 52 PHE H . . 2.750 2.194 2.150 2.400 . 0 0 "[ . 1 . 2]" 1
1324 1 51 PRO HA 1 52 PHE HA . . 5.500 4.396 4.343 4.446 . 0 0 "[ . 1 . 2]" 1
1325 1 51 PRO HA 1 52 PHE HB2 . . 4.820 4.459 4.293 4.766 . 0 0 "[ . 1 . 2]" 1
1326 1 51 PRO HA 1 52 PHE QD . . 4.740 3.342 2.846 3.759 . 0 0 "[ . 1 . 2]" 1
1327 1 51 PRO HB2 1 52 PHE H . . 3.900 3.476 2.614 3.885 . 0 0 "[ . 1 . 2]" 1
1328 1 51 PRO HB2 1 52 PHE HA . . 5.060 4.746 4.434 4.939 . 0 0 "[ . 1 . 2]" 1
1329 1 51 PRO HB3 1 52 PHE H . . 4.290 3.974 3.453 4.250 . 0 0 "[ . 1 . 2]" 1
1330 1 51 PRO QD 1 52 PHE H . . 5.010 4.942 4.844 5.007 . 0 0 "[ . 1 . 2]" 1
1331 1 52 PHE H 1 52 PHE HB2 . . 3.160 2.331 2.223 2.678 . 0 0 "[ . 1 . 2]" 1
1332 1 52 PHE H 1 52 PHE HB3 . . 3.760 3.575 3.520 3.736 . 0 0 "[ . 1 . 2]" 1
1333 1 52 PHE H 1 52 PHE QD . . 3.310 2.231 1.898 3.014 . 0 0 "[ . 1 . 2]" 1
1334 1 52 PHE H 1 52 PHE QE . . 5.500 4.503 4.203 5.136 . 0 0 "[ . 1 . 2]" 1
1335 1 52 PHE H 1 53 GLN H . . 4.700 4.579 4.482 4.616 . 0 0 "[ . 1 . 2]" 1
1336 1 52 PHE HA 1 52 PHE QD . . 3.970 2.894 2.126 3.130 . 0 0 "[ . 1 . 2]" 1
1337 1 52 PHE HA 1 53 GLN H . . 2.820 2.254 2.153 2.543 . 0 0 "[ . 1 . 2]" 1
1338 1 52 PHE HA 1 53 GLN QB . . 4.560 4.463 4.342 4.591 0.031 18 0 "[ . 1 . 2]" 1
1339 1 52 PHE HB2 1 53 GLN H . . 4.320 4.051 3.171 4.307 . 0 0 "[ . 1 . 2]" 1
1340 1 52 PHE HB3 1 53 GLN H . . 3.560 2.904 2.238 3.296 . 0 0 "[ . 1 . 2]" 1
1341 1 52 PHE HB3 1 53 GLN QB . . 5.260 4.370 3.762 4.732 . 0 0 "[ . 1 . 2]" 1
1342 1 52 PHE QD 1 53 GLN H . . 4.300 4.104 3.663 4.270 . 0 0 "[ . 1 . 2]" 1
1343 1 52 PHE QE 1 75 ALA H . . 4.880 4.355 3.527 4.811 . 0 0 "[ . 1 . 2]" 1
1344 1 52 PHE QE 1 75 ALA MB . . 3.780 2.740 2.088 3.319 . 0 0 "[ . 1 . 2]" 1
1345 1 52 PHE HZ 1 75 ALA MB . . 4.860 4.083 3.045 4.861 0.001 13 0 "[ . 1 . 2]" 1
1346 1 53 GLN H 1 53 GLN HB2 . . 3.790 2.437 2.218 2.614 . 0 0 "[ . 1 . 2]" 1
1347 1 53 GLN H 1 53 GLN QB . . 3.090 2.398 2.196 2.556 . 0 0 "[ . 1 . 2]" 1
1348 1 53 GLN H 1 53 GLN HB3 . . 3.790 3.581 3.512 3.638 . 0 0 "[ . 1 . 2]" 1
1349 1 53 GLN H 1 53 GLN HG2 . . 3.980 2.522 2.040 3.346 . 0 0 "[ . 1 . 2]" 1
1350 1 53 GLN H 1 53 GLN QG . . 3.430 2.346 2.020 2.928 . 0 0 "[ . 1 . 2]" 1
1351 1 53 GLN H 1 53 GLN HG3 . . 3.980 3.385 2.390 3.926 . 0 0 "[ . 1 . 2]" 1
1352 1 53 GLN H 1 54 GLU H . . 5.270 4.619 4.554 4.650 . 0 0 "[ . 1 . 2]" 1
1353 1 53 GLN HA 1 53 GLN HG2 . . 3.860 2.758 2.307 3.123 . 0 0 "[ . 1 . 2]" 1
1354 1 53 GLN HA 1 53 GLN QG . . 3.290 2.674 2.267 2.980 . 0 0 "[ . 1 . 2]" 1
1355 1 53 GLN HA 1 53 GLN HG3 . . 3.860 3.636 3.210 3.796 . 0 0 "[ . 1 . 2]" 1
1356 1 53 GLN HA 1 54 GLU H . . 2.730 2.453 2.343 2.593 . 0 0 "[ . 1 . 2]" 1
1357 1 53 GLN HA 1 54 GLU HA . . 4.930 4.500 4.458 4.551 . 0 0 "[ . 1 . 2]" 1
1358 1 53 GLN HA 1 54 GLU QB . . 4.320 3.883 3.818 3.929 . 0 0 "[ . 1 . 2]" 1
1359 1 53 GLN QB 1 54 GLU H . . 3.090 2.303 2.014 2.532 . 0 0 "[ . 1 . 2]" 1
1360 1 53 GLN QB 1 68 LEU MD2 . . 5.340 5.177 4.891 5.344 0.004 18 0 "[ . 1 . 2]" 1
1361 1 53 GLN HB2 1 54 GLU H . . 3.780 3.612 3.371 3.779 . 0 0 "[ . 1 . 2]" 1
1362 1 53 GLN HB3 1 54 GLU H . . 3.780 2.330 2.030 2.574 . 0 0 "[ . 1 . 2]" 1
1363 1 53 GLN QG 1 54 GLU H . . 4.470 4.067 3.796 4.292 . 0 0 "[ . 1 . 2]" 1
1364 1 54 GLU H 1 54 GLU HB2 . . 3.720 3.186 2.999 3.420 . 0 0 "[ . 1 . 2]" 1
1365 1 54 GLU H 1 54 GLU QB . . 3.020 2.687 2.584 2.776 . 0 0 "[ . 1 . 2]" 1
1366 1 54 GLU H 1 54 GLU HB3 . . 3.720 2.914 2.687 3.120 . 0 0 "[ . 1 . 2]" 1
1367 1 54 GLU H 1 54 GLU HG2 . . 5.400 4.643 4.449 4.979 . 0 0 "[ . 1 . 2]" 1
1368 1 54 GLU H 1 54 GLU QG . . 4.540 4.185 4.100 4.316 . 0 0 "[ . 1 . 2]" 1
1369 1 54 GLU H 1 54 GLU HG3 . . 5.400 4.776 4.517 5.097 . 0 0 "[ . 1 . 2]" 1
1370 1 54 GLU H 1 55 VAL H . . 4.340 4.189 4.037 4.348 0.008 10 0 "[ . 1 . 2]" 1
1371 1 54 GLU HA 1 54 GLU HG2 . . 3.930 2.956 2.468 3.769 . 0 0 "[ . 1 . 2]" 1
1372 1 54 GLU HA 1 54 GLU QG . . 3.300 2.385 2.207 2.670 . 0 0 "[ . 1 . 2]" 1
1373 1 54 GLU HA 1 54 GLU HG3 . . 3.930 2.687 2.262 3.663 . 0 0 "[ . 1 . 2]" 1
1374 1 54 GLU HA 1 55 VAL H . . 2.770 2.158 2.139 2.214 . 0 0 "[ . 1 . 2]" 1
1375 1 54 GLU HA 1 55 VAL HA . . 4.880 4.406 4.392 4.438 . 0 0 "[ . 1 . 2]" 1
1376 1 54 GLU HA 1 55 VAL MG1 . . 5.500 5.458 5.433 5.483 . 0 0 "[ . 1 . 2]" 1
1377 1 54 GLU HA 1 55 VAL MG2 . . 4.270 3.666 3.543 3.864 . 0 0 "[ . 1 . 2]" 1
1378 1 54 GLU QG 1 55 VAL H . . 3.380 2.752 2.304 3.133 . 0 0 "[ . 1 . 2]" 1
1379 1 54 GLU HG2 1 55 VAL H . . 4.080 3.111 2.318 4.079 . 0 0 "[ . 1 . 2]" 1
1380 1 54 GLU HG3 1 55 VAL H . . 4.080 3.442 2.365 4.082 0.002 10 0 "[ . 1 . 2]" 1
1381 1 55 VAL H 1 55 VAL HB . . 3.030 2.724 2.579 2.833 . 0 0 "[ . 1 . 2]" 1
1382 1 55 VAL H 1 55 VAL MG1 . . 4.040 3.878 3.824 3.915 . 0 0 "[ . 1 . 2]" 1
1383 1 55 VAL H 1 55 VAL MG2 . . 3.380 2.874 2.693 3.069 . 0 0 "[ . 1 . 2]" 1
1384 1 55 VAL H 1 56 ASP H . . 4.540 4.259 4.165 4.359 . 0 0 "[ . 1 . 2]" 1
1385 1 55 VAL H 1 56 ASP HA . . 5.070 4.837 4.740 4.977 . 0 0 "[ . 1 . 2]" 1
1386 1 55 VAL HA 1 55 VAL MG1 . . 3.160 2.380 2.250 2.460 . 0 0 "[ . 1 . 2]" 1
1387 1 55 VAL HA 1 55 VAL MG2 . . 3.110 2.359 2.280 2.447 . 0 0 "[ . 1 . 2]" 1
1388 1 55 VAL HA 1 56 ASP H . . 2.760 2.145 2.141 2.169 . 0 0 "[ . 1 . 2]" 1
1389 1 55 VAL HA 1 56 ASP HA . . 4.720 4.396 4.394 4.411 . 0 0 "[ . 1 . 2]" 1
1390 1 55 VAL HA 1 56 ASP QB . . 4.470 4.365 4.240 4.465 . 0 0 "[ . 1 . 2]" 1
1391 1 55 VAL HB 1 56 ASP H . . 4.260 4.221 4.111 4.260 . 18 0 "[ . 1 . 2]" 1
1392 1 55 VAL HB 1 58 VAL QG . . 4.100 3.801 3.615 3.986 . 0 0 "[ . 1 . 2]" 1
1393 1 55 VAL HB 1 63 TYR QE . . 4.990 4.520 4.226 4.685 . 0 0 "[ . 1 . 2]" 1
1394 1 55 VAL MG1 1 56 ASP H . . 3.560 2.644 2.455 2.785 . 0 0 "[ . 1 . 2]" 1
1395 1 55 VAL MG1 1 56 ASP HA . . 4.540 3.607 3.403 3.834 . 0 0 "[ . 1 . 2]" 1
1396 1 55 VAL MG1 1 56 ASP QB . . 4.750 4.520 4.389 4.664 . 0 0 "[ . 1 . 2]" 1
1397 1 55 VAL MG1 1 58 VAL H . . 5.120 4.764 4.389 4.999 . 0 0 "[ . 1 . 2]" 1
1398 1 55 VAL MG1 1 58 VAL QG . . 5.010 2.609 2.419 2.784 . 0 0 "[ . 1 . 2]" 1
1399 1 55 VAL MG1 1 63 TYR QD . . 4.540 4.234 3.969 4.456 . 0 0 "[ . 1 . 2]" 1
1400 1 55 VAL MG1 1 63 TYR QE . . 3.370 3.143 2.770 3.370 0.000 11 0 "[ . 1 . 2]" 1
1401 1 55 VAL MG2 1 56 ASP H . . 4.150 4.048 3.952 4.125 . 0 0 "[ . 1 . 2]" 1
1402 1 55 VAL MG2 1 63 TYR QD . . 5.490 5.039 4.884 5.261 . 0 0 "[ . 1 . 2]" 1
1403 1 55 VAL MG2 1 63 TYR QE . . 3.760 3.540 3.274 3.751 . 0 0 "[ . 1 . 2]" 1
1404 1 55 VAL MG2 1 65 ILE MG . . 4.330 3.964 3.646 4.293 . 0 0 "[ . 1 . 2]" 1
1405 1 56 ASP H 1 56 ASP QB . . 3.130 2.924 2.615 3.050 . 0 0 "[ . 1 . 2]" 1
1406 1 56 ASP H 1 57 GLY H . . 4.860 4.433 4.362 4.486 . 0 0 "[ . 1 . 2]" 1
1407 1 56 ASP H 1 58 VAL QG . . 5.050 4.678 4.485 4.873 . 0 0 "[ . 1 . 2]" 1
1408 1 56 ASP HA 1 57 GLY H . . 3.130 2.218 2.172 2.341 . 0 0 "[ . 1 . 2]" 1
1409 1 56 ASP HA 1 57 GLY HA2 . . 4.780 4.494 4.452 4.590 . 0 0 "[ . 1 . 2]" 1
1410 1 56 ASP HA 1 57 GLY HA3 . . 4.850 4.406 4.386 4.441 . 0 0 "[ . 1 . 2]" 1
1411 1 56 ASP HA 1 58 VAL H . . 4.240 3.748 3.498 3.915 . 0 0 "[ . 1 . 2]" 1
1412 1 56 ASP HA 1 58 VAL QG . . 4.340 3.628 3.429 3.888 . 0 0 "[ . 1 . 2]" 1
1413 1 56 ASP QB 1 57 GLY H . . 3.490 2.923 2.557 3.085 . 0 0 "[ . 1 . 2]" 1
1414 1 56 ASP QB 1 58 VAL H . . 4.840 4.750 4.406 4.833 . 0 0 "[ . 1 . 2]" 1
1415 1 56 ASP QB 1 81 VAL MG2 . . 5.500 4.750 4.426 5.101 . 0 0 "[ . 1 . 2]" 1
1416 1 57 GLY H 1 58 VAL H . . 3.490 2.019 1.815 2.166 . 0 0 "[ . 1 . 2]" 1
1417 1 57 GLY H 1 58 VAL QG . . 4.580 3.345 3.157 3.620 . 0 0 "[ . 1 . 2]" 1
1418 1 57 GLY HA2 1 58 VAL QG . . 4.910 4.246 4.140 4.473 . 0 0 "[ . 1 . 2]" 1
1419 1 58 VAL H 1 58 VAL HB . . 3.100 2.678 2.521 2.732 . 0 0 "[ . 1 . 2]" 1
1420 1 58 VAL H 1 58 VAL MG1 . . 3.880 3.860 3.796 3.885 0.005 19 0 "[ . 1 . 2]" 1
1421 1 58 VAL H 1 58 VAL QG . . 2.900 2.535 2.270 2.719 . 0 0 "[ . 1 . 2]" 1
1422 1 58 VAL H 1 58 VAL MG2 . . 3.880 2.572 2.286 2.778 . 0 0 "[ . 1 . 2]" 1
1423 1 58 VAL H 1 59 ALA H . . 4.620 3.906 3.772 4.100 . 0 0 "[ . 1 . 2]" 1
1424 1 58 VAL HA 1 58 VAL MG1 . . 3.280 2.318 2.227 2.440 . 0 0 "[ . 1 . 2]" 1
1425 1 58 VAL HA 1 58 VAL MG2 . . 3.280 2.427 2.245 2.516 . 0 0 "[ . 1 . 2]" 1
1426 1 58 VAL HA 1 59 ALA H . . 2.790 2.262 2.209 2.310 . 0 0 "[ . 1 . 2]" 1
1427 1 58 VAL HA 1 59 ALA MB . . 4.140 4.115 4.080 4.145 0.005 3 0 "[ . 1 . 2]" 1
1428 1 58 VAL HA 1 60 THR H . . 3.930 3.414 3.117 3.547 . 0 0 "[ . 1 . 2]" 1
1429 1 58 VAL HB 1 59 ALA H . . 4.500 4.421 4.366 4.480 . 0 0 "[ . 1 . 2]" 1
1430 1 58 VAL HB 1 60 THR H . . 4.520 3.902 3.749 4.091 . 0 0 "[ . 1 . 2]" 1
1431 1 58 VAL QG 1 59 ALA H . . 3.420 3.253 3.089 3.415 . 0 0 "[ . 1 . 2]" 1
1432 1 58 VAL QG 1 59 ALA MB . . 4.360 4.297 4.197 4.339 . 0 0 "[ . 1 . 2]" 1
1433 1 58 VAL QG 1 60 THR H . . 2.780 2.078 1.885 2.233 . 0 0 "[ . 1 . 2]" 1
1434 1 58 VAL QG 1 61 THR HA . . 4.490 4.394 4.150 4.489 . 0 0 "[ . 1 . 2]" 1
1435 1 58 VAL QG 1 63 TYR HA . . 4.660 3.788 3.616 4.015 . 0 0 "[ . 1 . 2]" 1
1436 1 58 VAL QG 1 63 TYR HB2 . . 3.380 2.051 1.906 2.251 . 0 0 "[ . 1 . 2]" 1
1437 1 58 VAL QG 1 63 TYR HB3 . . 3.570 3.025 2.601 3.301 . 0 0 "[ . 1 . 2]" 1
1438 1 58 VAL QG 1 63 TYR QD . . 3.030 2.302 1.863 2.902 . 0 0 "[ . 1 . 2]" 1
1439 1 58 VAL QG 1 63 TYR QE . . 3.770 3.104 2.613 3.628 . 0 0 "[ . 1 . 2]" 1
1440 1 58 VAL QG 1 64 SER H . . 5.440 4.773 4.466 5.124 . 0 0 "[ . 1 . 2]" 1
1441 1 58 VAL MG1 1 59 ALA H . . 4.320 3.368 3.166 3.578 . 0 0 "[ . 1 . 2]" 1
1442 1 58 VAL MG1 1 63 TYR HB2 . . 4.510 2.080 1.924 2.303 . 0 0 "[ . 1 . 2]" 1
1443 1 58 VAL MG1 1 63 TYR HB3 . . 4.550 3.180 2.675 3.464 . 0 0 "[ . 1 . 2]" 1
1444 1 58 VAL MG1 1 63 TYR QD . . 3.710 2.497 1.985 3.248 . 0 0 "[ . 1 . 2]" 1
1445 1 58 VAL MG2 1 59 ALA H . . 4.320 4.303 4.194 4.330 0.010 6 0 "[ . 1 . 2]" 1
1446 1 58 VAL MG2 1 63 TYR HB2 . . 4.510 3.193 2.763 3.568 . 0 0 "[ . 1 . 2]" 1
1447 1 58 VAL MG2 1 63 TYR HB3 . . 4.550 3.809 3.288 4.197 . 0 0 "[ . 1 . 2]" 1
1448 1 58 VAL MG2 1 63 TYR QD . . 3.710 2.770 2.256 3.289 . 0 0 "[ . 1 . 2]" 1
1449 1 59 ALA H 1 59 ALA MB . . 2.950 2.174 2.094 2.284 . 0 0 "[ . 1 . 2]" 1
1450 1 59 ALA H 1 60 THR H . . 3.150 2.928 2.701 3.060 . 0 0 "[ . 1 . 2]" 1
1451 1 59 ALA MB 1 60 THR H . . 3.650 3.620 3.458 3.657 0.007 10 0 "[ . 1 . 2]" 1
1452 1 59 ALA MB 1 60 THR MG . . 3.760 3.368 3.177 3.570 . 0 0 "[ . 1 . 2]" 1
1453 1 60 THR H 1 60 THR HB . . 3.850 3.768 3.657 3.825 . 0 0 "[ . 1 . 2]" 1
1454 1 60 THR H 1 60 THR MG . . 3.430 3.274 3.101 3.405 . 0 0 "[ . 1 . 2]" 1
1455 1 60 THR H 1 61 THR MG . . 5.500 5.278 5.032 5.482 . 0 0 "[ . 1 . 2]" 1
1456 1 60 THR H 1 62 ARG H . . 5.130 4.719 4.288 5.086 . 0 0 "[ . 1 . 2]" 1
1457 1 60 THR HB 1 61 THR H . . 3.030 2.303 2.059 2.513 . 0 0 "[ . 1 . 2]" 1
1458 1 60 THR HB 1 62 ARG H . . 3.330 2.277 2.172 2.346 . 0 0 "[ . 1 . 2]" 1
1459 1 60 THR MG 1 61 THR H . . 3.610 3.374 3.276 3.481 . 0 0 "[ . 1 . 2]" 1
1460 1 60 THR MG 1 61 THR HA . . 5.500 5.454 5.410 5.504 0.004 12 0 "[ . 1 . 2]" 1
1461 1 60 THR MG 1 62 ARG H . . 4.020 3.958 3.862 4.019 . 0 0 "[ . 1 . 2]" 1
1462 1 61 THR H 1 61 THR HB . . 4.030 3.633 3.568 3.705 . 0 0 "[ . 1 . 2]" 1
1463 1 61 THR H 1 61 THR MG . . 3.150 2.756 2.466 3.097 . 0 0 "[ . 1 . 2]" 1
1464 1 61 THR H 1 62 ARG H . . 3.050 2.412 2.159 2.691 . 0 0 "[ . 1 . 2]" 1
1465 1 61 THR HA 1 61 THR MG . . 3.080 2.194 2.054 2.377 . 0 0 "[ . 1 . 2]" 1
1466 1 61 THR HA 1 62 ARG H . . 3.430 3.277 3.070 3.437 0.007 6 0 "[ . 1 . 2]" 1
1467 1 61 THR HB 1 62 ARG H . . 4.410 4.149 3.893 4.411 0.001 15 0 "[ . 1 . 2]" 1
1468 1 61 THR MG 1 62 ARG H . . 4.440 4.247 3.973 4.400 . 0 0 "[ . 1 . 2]" 1
1469 1 62 ARG H 1 62 ARG HB2 . . 3.730 3.034 2.473 3.573 . 0 0 "[ . 1 . 2]" 1
1470 1 62 ARG H 1 62 ARG QB . . 3.190 2.592 2.409 2.799 . 0 0 "[ . 1 . 2]" 1
1471 1 62 ARG H 1 62 ARG HB3 . . 3.730 2.908 2.497 3.710 . 0 0 "[ . 1 . 2]" 1
1472 1 62 ARG H 1 62 ARG HG2 . . 5.500 4.570 4.254 4.829 . 0 0 "[ . 1 . 2]" 1
1473 1 62 ARG H 1 62 ARG QG . . 4.650 4.049 3.419 4.223 . 0 0 "[ . 1 . 2]" 1
1474 1 62 ARG H 1 62 ARG HG3 . . 5.500 4.559 3.574 4.803 . 0 0 "[ . 1 . 2]" 1
1475 1 62 ARG H 1 63 TYR H . . 4.530 4.289 3.979 4.450 . 0 0 "[ . 1 . 2]" 1
1476 1 62 ARG H 1 63 TYR HB2 . . 5.110 4.663 4.304 4.931 . 0 0 "[ . 1 . 2]" 1
1477 1 62 ARG QB 1 63 TYR H . . 3.960 3.618 2.869 3.855 . 0 0 "[ . 1 . 2]" 1
1478 1 62 ARG HB2 1 62 ARG QD . . 3.280 2.445 2.077 2.936 . 0 0 "[ . 1 . 2]" 1
1479 1 62 ARG HB2 1 63 TYR H . . 4.640 4.250 4.040 4.461 . 0 0 "[ . 1 . 2]" 1
1480 1 62 ARG HB3 1 62 ARG QD . . 3.280 2.748 2.301 3.185 . 0 0 "[ . 1 . 2]" 1
1481 1 62 ARG HB3 1 63 TYR H . . 4.640 3.965 2.925 4.316 . 0 0 "[ . 1 . 2]" 1
1482 1 62 ARG QD 1 63 TYR H . . 4.940 4.676 4.447 4.936 . 0 0 "[ . 1 . 2]" 1
1483 1 62 ARG QG 1 63 TYR H . . 3.500 2.819 2.446 3.494 . 0 0 "[ . 1 . 2]" 1
1484 1 63 TYR H 1 63 TYR HB2 . . 3.860 3.338 3.211 3.479 . 0 0 "[ . 1 . 2]" 1
1485 1 63 TYR H 1 63 TYR HB3 . . 3.780 2.857 2.762 2.972 . 0 0 "[ . 1 . 2]" 1
1486 1 63 TYR H 1 63 TYR QD . . 4.570 4.342 4.303 4.404 . 0 0 "[ . 1 . 2]" 1
1487 1 63 TYR H 1 64 SER H . . 4.430 4.344 4.193 4.413 . 0 0 "[ . 1 . 2]" 1
1488 1 63 TYR H 1 64 SER HA . . 4.960 4.687 4.565 4.761 . 0 0 "[ . 1 . 2]" 1
1489 1 63 TYR HA 1 63 TYR QD . . 3.440 2.941 2.684 3.110 . 0 0 "[ . 1 . 2]" 1
1490 1 63 TYR HA 1 63 TYR QE . . 4.930 4.700 4.597 4.762 . 0 0 "[ . 1 . 2]" 1
1491 1 63 TYR HA 1 64 SER H . . 2.660 2.258 2.171 2.347 . 0 0 "[ . 1 . 2]" 1
1492 1 63 TYR HA 1 64 SER QB . . 4.430 4.183 3.964 4.431 0.001 6 0 "[ . 1 . 2]" 1
1493 1 63 TYR HB2 1 64 SER H . . 4.990 3.975 3.822 4.136 . 0 0 "[ . 1 . 2]" 1
1494 1 63 TYR HB3 1 64 SER H . . 4.290 3.906 3.696 4.134 . 0 0 "[ . 1 . 2]" 1
1495 1 63 TYR QD 1 64 SER H . . 3.580 3.156 2.966 3.469 . 0 0 "[ . 1 . 2]" 1
1496 1 63 TYR QD 1 65 ILE H . . 4.620 4.215 3.895 4.568 . 0 0 "[ . 1 . 2]" 1
1497 1 63 TYR QD 1 65 ILE HA . . 4.410 4.075 3.847 4.247 . 0 0 "[ . 1 . 2]" 1
1498 1 63 TYR QD 1 65 ILE HB . . 5.380 5.166 4.934 5.353 . 0 0 "[ . 1 . 2]" 1
1499 1 63 TYR QD 1 65 ILE MD . . 3.490 2.505 2.166 2.795 . 0 0 "[ . 1 . 2]" 1
1500 1 63 TYR QD 1 65 ILE HG12 . . 4.260 4.160 4.016 4.259 . 0 0 "[ . 1 . 2]" 1
1501 1 63 TYR QD 1 65 ILE HG13 . . 3.600 2.773 2.586 2.888 . 0 0 "[ . 1 . 2]" 1
1502 1 63 TYR QE 1 64 SER H . . 4.590 3.986 3.742 4.365 . 0 0 "[ . 1 . 2]" 1
1503 1 63 TYR QE 1 65 ILE HA . . 3.600 2.630 2.434 2.748 . 0 0 "[ . 1 . 2]" 1
1504 1 63 TYR QE 1 65 ILE HB . . 4.900 4.768 4.647 4.895 . 0 0 "[ . 1 . 2]" 1
1505 1 63 TYR QE 1 65 ILE MD . . 3.810 3.424 3.207 3.553 . 0 0 "[ . 1 . 2]" 1
1506 1 63 TYR QE 1 65 ILE HG12 . . 3.850 3.707 3.582 3.846 . 0 0 "[ . 1 . 2]" 1
1507 1 63 TYR QE 1 65 ILE HG13 . . 3.530 2.104 2.001 2.245 . 0 0 "[ . 1 . 2]" 1
1508 1 63 TYR QE 1 65 ILE MG . . 4.170 3.683 3.433 3.842 . 0 0 "[ . 1 . 2]" 1
1509 1 63 TYR QE 1 66 GLY H . . 4.500 4.378 4.197 4.494 . 0 0 "[ . 1 . 2]" 1
1510 1 64 SER H 1 64 SER QB . . 2.870 2.759 2.456 2.873 0.003 14 0 "[ . 1 . 2]" 1
1511 1 64 SER H 1 65 ILE H . . 4.670 4.452 4.347 4.533 . 0 0 "[ . 1 . 2]" 1
1512 1 64 SER H 1 65 ILE HG13 . . 5.500 5.227 5.020 5.426 . 0 0 "[ . 1 . 2]" 1
1513 1 64 SER HA 1 65 ILE H . . 2.920 2.199 2.152 2.232 . 0 0 "[ . 1 . 2]" 1
1514 1 64 SER HA 1 65 ILE HB . . 4.920 4.607 4.552 4.676 . 0 0 "[ . 1 . 2]" 1
1515 1 64 SER HA 1 65 ILE MD . . 4.730 2.818 2.625 3.059 . 0 0 "[ . 1 . 2]" 1
1516 1 64 SER QB 1 65 ILE H . . 3.700 3.082 2.852 3.684 . 0 0 "[ . 1 . 2]" 1
1517 1 64 SER HB2 1 65 ILE H . . 4.360 3.254 2.914 4.184 . 0 0 "[ . 1 . 2]" 1
1518 1 64 SER HB3 1 65 ILE H . . 4.360 4.096 3.290 4.312 . 0 0 "[ . 1 . 2]" 1
1519 1 65 ILE H 1 65 ILE HB . . 3.370 2.534 2.461 2.604 . 0 0 "[ . 1 . 2]" 1
1520 1 65 ILE H 1 65 ILE MD . . 3.710 2.154 1.956 2.351 . 0 0 "[ . 1 . 2]" 1
1521 1 65 ILE H 1 65 ILE HG12 . . 4.230 4.170 4.075 4.233 0.003 16 0 "[ . 1 . 2]" 1
1522 1 65 ILE H 1 65 ILE HG13 . . 4.130 3.382 3.233 3.471 . 0 0 "[ . 1 . 2]" 1
1523 1 65 ILE H 1 65 ILE MG . . 4.330 3.803 3.770 3.835 . 0 0 "[ . 1 . 2]" 1
1524 1 65 ILE H 1 66 GLY H . . 4.580 4.522 4.472 4.564 . 0 0 "[ . 1 . 2]" 1
1525 1 65 ILE HA 1 65 ILE MD . . 3.780 3.328 3.267 3.411 . 0 0 "[ . 1 . 2]" 1
1526 1 65 ILE HA 1 65 ILE HG12 . . 3.790 3.519 3.491 3.551 . 0 0 "[ . 1 . 2]" 1
1527 1 65 ILE HA 1 65 ILE HG13 . . 3.940 2.333 2.287 2.393 . 0 0 "[ . 1 . 2]" 1
1528 1 65 ILE HA 1 65 ILE MG . . 3.310 2.380 2.266 2.459 . 0 0 "[ . 1 . 2]" 1
1529 1 65 ILE HA 1 66 GLY H . . 2.640 2.216 2.182 2.265 . 0 0 "[ . 1 . 2]" 1
1530 1 65 ILE HA 1 66 GLY QA . . 4.520 3.896 3.893 3.900 . 0 0 "[ . 1 . 2]" 1
1531 1 65 ILE HB 1 65 ILE MD . . 3.690 2.185 2.094 2.297 . 0 0 "[ . 1 . 2]" 1
1532 1 65 ILE HB 1 66 GLY H . . 4.680 3.996 3.889 4.082 . 0 0 "[ . 1 . 2]" 1
1533 1 65 ILE HB 1 68 LEU MD1 . . 4.020 3.058 2.801 3.319 . 0 0 "[ . 1 . 2]" 1
1534 1 65 ILE HB 1 68 LEU MD2 . . 4.790 4.420 4.019 4.691 . 0 0 "[ . 1 . 2]" 1
1535 1 65 ILE HB 1 76 PHE QD . . 4.480 4.084 3.783 4.430 . 0 0 "[ . 1 . 2]" 1
1536 1 65 ILE HB 1 76 PHE QE . . 3.960 2.410 2.002 2.855 . 0 0 "[ . 1 . 2]" 1
1537 1 65 ILE HB 1 76 PHE HZ . . 4.850 3.625 3.283 4.055 . 0 0 "[ . 1 . 2]" 1
1538 1 65 ILE MD 1 65 ILE MG . . 3.250 3.146 3.127 3.176 . 0 0 "[ . 1 . 2]" 1
1539 1 65 ILE MD 1 66 GLY H . . 5.070 4.937 4.864 4.989 . 0 0 "[ . 1 . 2]" 1
1540 1 65 ILE MD 1 68 LEU MD1 . . 4.380 4.187 3.987 4.375 . 0 0 "[ . 1 . 2]" 1
1541 1 65 ILE MD 1 68 LEU MD2 . . 5.500 5.251 5.004 5.484 . 0 0 "[ . 1 . 2]" 1
1542 1 65 ILE MD 1 76 PHE QB . . 4.950 3.284 3.119 3.505 . 0 0 "[ . 1 . 2]" 1
1543 1 65 ILE MD 1 76 PHE QD . . 3.740 2.445 2.086 2.821 . 0 0 "[ . 1 . 2]" 1
1544 1 65 ILE MD 1 76 PHE QE . . 3.930 2.658 2.164 3.002 . 0 0 "[ . 1 . 2]" 1
1545 1 65 ILE MD 1 76 PHE HZ . . 5.210 3.924 3.560 4.383 . 0 0 "[ . 1 . 2]" 1
1546 1 65 ILE MD 1 78 VAL MG2 . . 4.890 4.416 4.126 4.656 . 0 0 "[ . 1 . 2]" 1
1547 1 65 ILE HG12 1 65 ILE MG . . 3.310 2.115 2.003 2.238 . 0 0 "[ . 1 . 2]" 1
1548 1 65 ILE HG12 1 66 GLY H . . 5.000 4.899 4.750 5.001 0.001 19 0 "[ . 1 . 2]" 1
1549 1 65 ILE HG12 1 76 PHE QD . . 3.640 2.689 2.365 2.945 . 0 0 "[ . 1 . 2]" 1
1550 1 65 ILE HG12 1 76 PHE QE . . 3.940 2.602 2.187 2.943 . 0 0 "[ . 1 . 2]" 1
1551 1 65 ILE HG13 1 65 ILE MG . . 3.160 2.672 2.602 2.726 . 0 0 "[ . 1 . 2]" 1
1552 1 65 ILE HG13 1 66 GLY H . . 4.690 4.245 4.140 4.337 . 0 0 "[ . 1 . 2]" 1
1553 1 65 ILE HG13 1 76 PHE QE . . 4.390 4.039 3.569 4.382 . 0 0 "[ . 1 . 2]" 1
1554 1 65 ILE MG 1 66 GLY H . . 3.440 2.166 1.967 2.331 . 0 0 "[ . 1 . 2]" 1
1555 1 65 ILE MG 1 68 LEU H . . 4.840 4.675 4.392 4.811 . 0 0 "[ . 1 . 2]" 1
1556 1 65 ILE MG 1 68 LEU HA . . 5.500 5.288 5.142 5.463 . 0 0 "[ . 1 . 2]" 1
1557 1 65 ILE MG 1 68 LEU MD1 . . 3.260 2.490 2.054 2.834 . 0 0 "[ . 1 . 2]" 1
1558 1 65 ILE MG 1 68 LEU MD2 . . 3.030 2.671 2.415 2.983 . 0 0 "[ . 1 . 2]" 1
1559 1 65 ILE MG 1 68 LEU HG . . 3.350 2.857 2.712 3.113 . 0 0 "[ . 1 . 2]" 1
1560 1 65 ILE MG 1 76 PHE QD . . 4.130 3.695 3.476 3.925 . 0 0 "[ . 1 . 2]" 1
1561 1 65 ILE MG 1 76 PHE QE . . 3.450 2.243 2.031 2.531 . 0 0 "[ . 1 . 2]" 1
1562 1 65 ILE MG 1 76 PHE HZ . . 4.750 3.791 3.459 4.047 . 0 0 "[ . 1 . 2]" 1
1563 1 66 GLY H 1 67 GLY H . . 4.600 4.456 4.424 4.478 . 0 0 "[ . 1 . 2]" 1
1564 1 66 GLY H 1 68 LEU HG . . 4.690 4.572 4.473 4.682 . 0 0 "[ . 1 . 2]" 1
1565 1 66 GLY QA 1 67 GLY H . . 2.860 2.255 2.206 2.282 . 0 0 "[ . 1 . 2]" 1
1566 1 66 GLY QA 1 68 LEU H . . 3.940 3.345 3.159 3.645 . 0 0 "[ . 1 . 2]" 1
1567 1 67 GLY H 1 68 LEU H . . 3.240 2.269 2.063 2.393 . 0 0 "[ . 1 . 2]" 1
1568 1 67 GLY H 1 68 LEU HA . . 5.190 4.968 4.805 5.075 . 0 0 "[ . 1 . 2]" 1
1569 1 67 GLY H 1 68 LEU QB . . 5.340 4.484 4.302 4.616 . 0 0 "[ . 1 . 2]" 1
1570 1 67 GLY QA 1 68 LEU HA . . 4.800 4.027 4.007 4.049 . 0 0 "[ . 1 . 2]" 1
1571 1 67 GLY QA 1 68 LEU HG . . 5.340 4.068 3.982 4.155 . 0 0 "[ . 1 . 2]" 1
1572 1 68 LEU H 1 68 LEU HB2 . . 3.890 2.626 2.538 2.712 . 0 0 "[ . 1 . 2]" 1
1573 1 68 LEU H 1 68 LEU QB . . 3.400 2.575 2.496 2.650 . 0 0 "[ . 1 . 2]" 1
1574 1 68 LEU H 1 68 LEU HB3 . . 3.890 3.708 3.655 3.754 . 0 0 "[ . 1 . 2]" 1
1575 1 68 LEU H 1 68 LEU MD1 . . 3.950 3.725 3.559 3.890 . 0 0 "[ . 1 . 2]" 1
1576 1 68 LEU H 1 68 LEU MD2 . . 3.820 3.597 3.302 3.739 . 0 0 "[ . 1 . 2]" 1
1577 1 68 LEU H 1 68 LEU HG . . 2.930 2.510 2.306 2.745 . 0 0 "[ . 1 . 2]" 1
1578 1 68 LEU HA 1 68 LEU MD1 . . 4.170 3.935 3.911 3.979 . 0 0 "[ . 1 . 2]" 1
1579 1 68 LEU HA 1 68 LEU MD2 . . 2.920 2.242 2.033 2.434 . 0 0 "[ . 1 . 2]" 1
1580 1 68 LEU HA 1 68 LEU HG . . 3.870 3.178 3.086 3.338 . 0 0 "[ . 1 . 2]" 1
1581 1 68 LEU HA 1 69 SER H . . 3.000 2.524 2.421 2.639 . 0 0 "[ . 1 . 2]" 1
1582 1 68 LEU HA 1 69 SER QB . . 4.740 4.229 4.038 4.420 . 0 0 "[ . 1 . 2]" 1
1583 1 68 LEU HA 1 74 TYR QE . . 4.660 4.161 3.511 4.516 . 0 0 "[ . 1 . 2]" 1
1584 1 68 LEU QB 1 68 LEU MD1 . . 3.040 2.075 2.036 2.100 . 0 0 "[ . 1 . 2]" 1
1585 1 68 LEU QB 1 68 LEU MD2 . . 3.160 2.195 2.110 2.306 . 0 0 "[ . 1 . 2]" 1
1586 1 68 LEU QB 1 69 SER H . . 3.040 2.191 1.999 2.353 . 0 0 "[ . 1 . 2]" 1
1587 1 68 LEU QB 1 72 SER QB . . 4.730 4.620 4.491 4.729 . 0 0 "[ . 1 . 2]" 1
1588 1 68 LEU QB 1 74 TYR QE . . 4.190 3.213 2.633 3.574 . 0 0 "[ . 1 . 2]" 1
1589 1 68 LEU QB 1 97 THR MG . . 3.570 2.553 2.412 2.680 . 0 0 "[ . 1 . 2]" 1
1590 1 68 LEU HB2 1 68 LEU MD1 . . 3.590 2.272 2.143 2.389 . 0 0 "[ . 1 . 2]" 1
1591 1 68 LEU HB2 1 69 SER H . . 3.630 3.224 2.993 3.484 . 0 0 "[ . 1 . 2]" 1
1592 1 68 LEU HB3 1 68 LEU MD1 . . 3.590 2.406 2.299 2.545 . 0 0 "[ . 1 . 2]" 1
1593 1 68 LEU HB3 1 69 SER H . . 3.630 2.230 2.028 2.393 . 0 0 "[ . 1 . 2]" 1
1594 1 68 LEU MD1 1 69 SER H . . 4.650 4.286 4.112 4.483 . 0 0 "[ . 1 . 2]" 1
1595 1 68 LEU MD1 1 74 TYR QD . . 4.380 3.480 2.986 3.683 . 0 0 "[ . 1 . 2]" 1
1596 1 68 LEU MD1 1 74 TYR QE . . 4.450 4.212 3.982 4.399 . 0 0 "[ . 1 . 2]" 1
1597 1 68 LEU MD1 1 76 PHE QD . . 4.960 4.607 4.422 4.860 . 0 0 "[ . 1 . 2]" 1
1598 1 68 LEU MD1 1 76 PHE QE . . 3.670 2.729 2.484 3.061 . 0 0 "[ . 1 . 2]" 1
1599 1 68 LEU MD1 1 76 PHE HZ . . 3.560 2.162 1.939 2.400 . 0 0 "[ . 1 . 2]" 1
1600 1 68 LEU MD1 1 95 ALA MB . . 5.340 4.960 4.798 5.231 . 0 0 "[ . 1 . 2]" 1
1601 1 68 LEU MD1 1 97 THR MG . . 3.120 2.230 2.053 2.601 . 0 0 "[ . 1 . 2]" 1
1602 1 68 LEU MD2 1 69 SER H . . 3.670 3.510 3.329 3.671 0.001 20 0 "[ . 1 . 2]" 1
1603 1 68 LEU MD2 1 74 TYR QD . . 3.890 3.086 2.571 3.452 . 0 0 "[ . 1 . 2]" 1
1604 1 68 LEU MD2 1 74 TYR QE . . 3.810 2.985 2.460 3.343 . 0 0 "[ . 1 . 2]" 1
1605 1 68 LEU MD2 1 76 PHE QE . . 4.630 3.589 3.333 3.816 . 0 0 "[ . 1 . 2]" 1
1606 1 68 LEU MD2 1 97 THR MG . . 4.210 3.964 3.717 4.143 . 0 0 "[ . 1 . 2]" 1
1607 1 69 SER H 1 69 SER HB2 . . 3.710 2.667 2.310 3.140 . 0 0 "[ . 1 . 2]" 1
1608 1 69 SER H 1 69 SER QB . . 3.010 2.319 2.245 2.429 . 0 0 "[ . 1 . 2]" 1
1609 1 69 SER H 1 69 SER HB3 . . 3.710 2.980 2.307 3.621 . 0 0 "[ . 1 . 2]" 1
1610 1 69 SER H 1 72 SER QB . . 4.110 3.857 3.692 3.988 . 0 0 "[ . 1 . 2]" 1
1611 1 69 SER H 1 74 TYR QE . . 3.560 2.911 2.219 3.301 . 0 0 "[ . 1 . 2]" 1
1612 1 69 SER H 1 97 THR MG . . 4.260 3.974 3.600 4.247 . 0 0 "[ . 1 . 2]" 1
1613 1 69 SER QB 1 74 TYR QE . . 4.390 3.269 2.774 3.467 . 0 0 "[ . 1 . 2]" 1
1614 1 69 SER HB2 1 74 TYR QE . . 5.070 4.007 3.065 5.038 . 0 0 "[ . 1 . 2]" 1
1615 1 69 SER HB3 1 74 TYR QE . . 5.070 4.050 2.838 5.069 . 0 0 "[ . 1 . 2]" 1
1616 1 70 PRO HA 1 71 PHE H . . 2.970 2.175 2.154 2.216 . 0 0 "[ . 1 . 2]" 1
1617 1 70 PRO HA 1 71 PHE HA . . 4.490 4.391 4.379 4.403 . 0 0 "[ . 1 . 2]" 1
1618 1 70 PRO HA 1 72 SER H . . 4.120 3.810 3.476 4.025 . 0 0 "[ . 1 . 2]" 1
1619 1 70 PRO HA 1 72 SER HG . . 4.130 4.084 3.947 4.131 0.001 12 0 "[ . 1 . 2]" 1
1620 1 70 PRO HA 1 97 THR MG . . 4.530 4.295 3.834 4.532 0.002 20 0 "[ . 1 . 2]" 1
1621 1 70 PRO HA 1 98 GLY H . . 4.830 4.752 4.580 4.834 0.004 11 0 "[ . 1 . 2]" 1
1622 1 70 PRO HA 1 99 GLU HA . . 5.370 3.665 3.335 4.317 . 0 0 "[ . 1 . 2]" 1
1623 1 70 PRO HB2 1 71 PHE H . . 3.730 3.376 3.169 3.533 . 0 0 "[ . 1 . 2]" 1
1624 1 70 PRO HB2 1 71 PHE QB . . 4.120 3.272 3.231 3.355 . 0 0 "[ . 1 . 2]" 1
1625 1 70 PRO HB2 1 71 PHE QD . . 5.490 5.264 5.115 5.446 . 0 0 "[ . 1 . 2]" 1
1626 1 70 PRO HB2 1 99 GLU HA . . 3.780 2.415 2.035 2.997 . 0 0 "[ . 1 . 2]" 1
1627 1 70 PRO HB3 1 71 PHE H . . 4.000 3.897 3.766 4.000 . 0 0 "[ . 1 . 2]" 1
1628 1 70 PRO HG2 1 103 PRO QD . . 3.150 2.793 2.196 3.154 0.004 13 0 "[ . 1 . 2]" 1
1629 1 70 PRO HG3 1 99 GLU HA . . 5.500 4.967 4.560 5.502 0.002 6 0 "[ . 1 . 2]" 1
1630 1 71 PHE H 1 71 PHE HA . . 2.900 2.277 2.273 2.283 . 0 0 "[ . 1 . 2]" 1
1631 1 71 PHE H 1 71 PHE HB2 . . 4.020 3.109 2.992 3.186 . 0 0 "[ . 1 . 2]" 1
1632 1 71 PHE H 1 71 PHE QB . . 3.450 2.978 2.883 3.034 . 0 0 "[ . 1 . 2]" 1
1633 1 71 PHE H 1 71 PHE HB3 . . 4.020 3.812 3.729 3.857 . 0 0 "[ . 1 . 2]" 1
1634 1 71 PHE H 1 71 PHE QD . . 4.330 3.824 3.705 3.955 . 0 0 "[ . 1 . 2]" 1
1635 1 71 PHE H 1 72 SER QB . . 5.040 4.757 4.647 4.878 . 0 0 "[ . 1 . 2]" 1
1636 1 71 PHE H 1 72 SER HG . . 4.230 4.060 3.868 4.256 0.026 14 0 "[ . 1 . 2]" 1
1637 1 71 PHE H 1 97 THR H . . 4.930 4.649 4.375 4.903 . 0 0 "[ . 1 . 2]" 1
1638 1 71 PHE H 1 97 THR HB . . 4.900 3.804 3.402 4.294 . 0 0 "[ . 1 . 2]" 1
1639 1 71 PHE H 1 97 THR MG . . 4.750 4.461 4.158 4.662 . 0 0 "[ . 1 . 2]" 1
1640 1 71 PHE H 1 98 GLY H . . 4.700 4.218 3.982 4.359 . 0 0 "[ . 1 . 2]" 1
1641 1 71 PHE H 1 98 GLY HA2 . . 4.960 4.025 3.849 4.234 . 0 0 "[ . 1 . 2]" 1
1642 1 71 PHE H 1 98 GLY HA3 . . 4.880 4.593 4.430 4.899 0.019 14 0 "[ . 1 . 2]" 1
1643 1 71 PHE H 1 99 GLU HA . . 4.050 3.058 2.659 3.538 . 0 0 "[ . 1 . 2]" 1
1644 1 71 PHE HA 1 71 PHE QD . . 3.480 2.200 2.003 2.538 . 0 0 "[ . 1 . 2]" 1
1645 1 71 PHE HA 1 71 PHE QE . . 4.820 4.237 4.149 4.352 . 0 0 "[ . 1 . 2]" 1
1646 1 71 PHE HA 1 72 SER H . . 3.190 2.765 2.636 2.955 . 0 0 "[ . 1 . 2]" 1
1647 1 71 PHE HA 1 96 ARG QD . . 4.720 4.171 3.457 4.682 . 0 0 "[ . 1 . 2]" 1
1648 1 71 PHE HA 1 96 ARG HG2 . . 4.290 3.412 3.303 3.519 . 0 0 "[ . 1 . 2]" 1
1649 1 71 PHE HA 1 96 ARG HG3 . . 4.960 4.855 4.693 4.963 0.003 8 0 "[ . 1 . 2]" 1
1650 1 71 PHE QB 1 99 GLU HA . . 3.700 2.726 2.270 3.265 . 0 0 "[ . 1 . 2]" 1
1651 1 71 PHE QB 1 99 GLU QB . . 4.730 2.441 1.967 4.068 . 0 0 "[ . 1 . 2]" 1
1652 1 71 PHE QB 1 99 GLU QG . . 4.240 3.726 1.974 4.228 . 0 0 "[ . 1 . 2]" 1
1653 1 71 PHE QB 1 100 GLN H . . 5.320 4.536 3.655 5.332 0.012 14 0 "[ . 1 . 2]" 1
1654 1 71 PHE QD 1 72 SER H . . 5.050 4.704 4.502 4.857 . 0 0 "[ . 1 . 2]" 1
1655 1 71 PHE QD 1 96 ARG QD . . 4.880 4.281 3.888 4.737 . 0 0 "[ . 1 . 2]" 1
1656 1 71 PHE QD 1 98 GLY HA3 . . 5.500 5.354 4.949 5.502 0.002 6 0 "[ . 1 . 2]" 1
1657 1 71 PHE QD 1 99 GLU H . . 4.440 3.740 3.113 3.986 . 0 0 "[ . 1 . 2]" 1
1658 1 71 PHE QD 1 99 GLU HA . . 4.570 3.892 3.633 4.205 . 0 0 "[ . 1 . 2]" 1
1659 1 71 PHE QD 1 99 GLU QB . . 4.240 2.511 2.008 3.985 . 0 0 "[ . 1 . 2]" 1
1660 1 71 PHE QD 1 99 GLU HG2 . . 4.820 3.484 2.061 4.821 0.001 6 0 "[ . 1 . 2]" 1
1661 1 71 PHE QD 1 99 GLU QG . . 4.200 3.153 1.957 4.081 . 0 0 "[ . 1 . 2]" 1
1662 1 71 PHE QD 1 99 GLU HG3 . . 4.820 3.906 2.036 4.749 . 0 0 "[ . 1 . 2]" 1
1663 1 71 PHE QE 1 96 ARG QD . . 5.050 4.165 3.523 4.771 . 0 0 "[ . 1 . 2]" 1
1664 1 71 PHE QE 1 99 GLU H . . 5.500 5.232 4.668 5.500 0.000 13 0 "[ . 1 . 2]" 1
1665 1 71 PHE HZ 1 96 ARG QD . . 5.460 4.972 4.303 5.395 . 0 0 "[ . 1 . 2]" 1
1666 1 72 SER H 1 72 SER HB2 . . 3.830 3.820 3.749 3.851 0.021 2 0 "[ . 1 . 2]" 1
1667 1 72 SER H 1 72 SER QB . . 3.170 2.954 2.749 3.069 . 0 0 "[ . 1 . 2]" 1
1668 1 72 SER H 1 72 SER HB3 . . 3.830 3.076 2.827 3.228 . 0 0 "[ . 1 . 2]" 1
1669 1 72 SER H 1 72 SER HG . . 3.070 2.181 2.063 2.427 . 0 0 "[ . 1 . 2]" 1
1670 1 72 SER H 1 74 TYR QE . . 5.250 5.101 4.931 5.236 . 0 0 "[ . 1 . 2]" 1
1671 1 72 SER H 1 96 ARG HA . . 4.730 4.468 4.269 4.720 . 0 0 "[ . 1 . 2]" 1
1672 1 72 SER H 1 96 ARG QD . . 5.500 4.899 4.300 5.455 . 0 0 "[ . 1 . 2]" 1
1673 1 72 SER H 1 96 ARG HG2 . . 4.590 3.427 3.104 3.795 . 0 0 "[ . 1 . 2]" 1
1674 1 72 SER H 1 96 ARG HG3 . . 4.460 4.217 3.958 4.399 . 0 0 "[ . 1 . 2]" 1
1675 1 72 SER H 1 97 THR H . . 3.270 3.109 2.878 3.296 0.026 14 0 "[ . 1 . 2]" 1
1676 1 72 SER H 1 97 THR MG . . 3.990 3.565 3.351 3.724 . 0 0 "[ . 1 . 2]" 1
1677 1 72 SER QB 1 73 GLU H . . 3.240 2.426 2.152 2.629 . 0 0 "[ . 1 . 2]" 1
1678 1 72 SER QB 1 74 TYR QD . . 4.660 3.419 3.217 3.723 . 0 0 "[ . 1 . 2]" 1
1679 1 72 SER QB 1 74 TYR QE . . 3.210 2.490 2.038 2.958 . 0 0 "[ . 1 . 2]" 1
1680 1 72 SER HB2 1 73 GLU H . . 3.970 2.454 2.167 2.668 . 0 0 "[ . 1 . 2]" 1
1681 1 72 SER HB2 1 74 TYR QE . . 3.790 2.562 2.062 3.116 . 0 0 "[ . 1 . 2]" 1
1682 1 72 SER HB2 1 97 THR H . . 5.500 5.303 5.107 5.469 . 0 0 "[ . 1 . 2]" 1
1683 1 72 SER HB2 1 97 THR MG . . 4.900 4.742 4.458 4.891 . 0 0 "[ . 1 . 2]" 1
1684 1 72 SER HB3 1 73 GLU H . . 3.970 3.823 3.667 3.966 . 0 0 "[ . 1 . 2]" 1
1685 1 72 SER HB3 1 74 TYR QE . . 3.790 3.448 3.192 3.683 . 0 0 "[ . 1 . 2]" 1
1686 1 72 SER HB3 1 97 THR H . . 5.500 5.453 5.354 5.504 0.004 15 0 "[ . 1 . 2]" 1
1687 1 72 SER HB3 1 97 THR MG . . 4.900 4.748 4.570 4.897 . 0 0 "[ . 1 . 2]" 1
1688 1 72 SER HG 1 74 TYR QE . . 4.410 3.169 2.993 3.472 . 0 0 "[ . 1 . 2]" 1
1689 1 72 SER HG 1 97 THR H . . 3.850 3.607 3.358 3.851 0.001 2 0 "[ . 1 . 2]" 1
1690 1 72 SER HG 1 97 THR MG . . 3.440 2.672 2.477 2.856 . 0 0 "[ . 1 . 2]" 1
1691 1 73 GLU H 1 73 GLU HB2 . . 3.240 2.709 2.586 2.951 . 0 0 "[ . 1 . 2]" 1
1692 1 73 GLU H 1 73 GLU HB3 . . 3.260 2.851 2.756 2.899 . 0 0 "[ . 1 . 2]" 1
1693 1 73 GLU H 1 73 GLU HG2 . . 5.500 4.702 4.595 4.937 . 0 0 "[ . 1 . 2]" 1
1694 1 73 GLU H 1 73 GLU HG3 . . 4.620 4.514 4.439 4.622 0.002 19 0 "[ . 1 . 2]" 1
1695 1 73 GLU H 1 74 TYR H . . 4.470 4.423 4.337 4.479 0.009 6 0 "[ . 1 . 2]" 1
1696 1 73 GLU H 1 74 TYR QE . . 4.800 4.222 3.586 4.640 . 0 0 "[ . 1 . 2]" 1
1697 1 73 GLU H 1 96 ARG HA . . 4.850 4.598 4.483 4.670 . 0 0 "[ . 1 . 2]" 1
1698 1 73 GLU H 1 96 ARG HG3 . . 4.510 3.749 3.452 4.148 . 0 0 "[ . 1 . 2]" 1
1699 1 73 GLU H 1 97 THR MG . . 5.500 5.294 5.074 5.481 . 0 0 "[ . 1 . 2]" 1
1700 1 73 GLU HA 1 73 GLU HG3 . . 4.000 2.376 2.199 2.583 . 0 0 "[ . 1 . 2]" 1
1701 1 73 GLU HA 1 74 TYR H . . 3.040 2.171 2.143 2.198 . 0 0 "[ . 1 . 2]" 1
1702 1 73 GLU HA 1 74 TYR QD . . 4.770 3.582 3.265 3.905 . 0 0 "[ . 1 . 2]" 1
1703 1 73 GLU HA 1 95 ALA H . . 4.870 4.722 4.538 4.858 . 0 0 "[ . 1 . 2]" 1
1704 1 73 GLU HA 1 96 ARG H . . 4.760 4.500 4.418 4.591 . 0 0 "[ . 1 . 2]" 1
1705 1 73 GLU HA 1 96 ARG HA . . 3.310 2.147 2.039 2.206 . 0 0 "[ . 1 . 2]" 1
1706 1 73 GLU HA 1 96 ARG HB2 . . 4.860 3.733 3.463 4.010 . 0 0 "[ . 1 . 2]" 1
1707 1 73 GLU HA 1 96 ARG HB3 . . 5.170 4.717 4.503 4.916 . 0 0 "[ . 1 . 2]" 1
1708 1 73 GLU HA 1 96 ARG HG2 . . 4.660 3.933 3.603 4.221 . 0 0 "[ . 1 . 2]" 1
1709 1 73 GLU HA 1 96 ARG HG3 . . 4.540 2.680 2.348 2.933 . 0 0 "[ . 1 . 2]" 1
1710 1 73 GLU HA 1 97 THR H . . 3.730 3.463 3.293 3.646 . 0 0 "[ . 1 . 2]" 1
1711 1 73 GLU HB2 1 74 TYR H . . 4.730 4.330 4.269 4.438 . 0 0 "[ . 1 . 2]" 1
1712 1 73 GLU HB2 1 96 ARG HA . . 4.960 4.077 3.816 4.248 . 0 0 "[ . 1 . 2]" 1
1713 1 73 GLU HB2 1 96 ARG HB2 . . 4.510 4.127 3.754 4.351 . 0 0 "[ . 1 . 2]" 1
1714 1 73 GLU HB3 1 74 TYR H . . 4.220 3.880 3.786 4.010 . 0 0 "[ . 1 . 2]" 1
1715 1 73 GLU HB3 1 96 ARG HA . . 5.050 4.968 4.851 5.054 0.004 11 0 "[ . 1 . 2]" 1
1716 1 73 GLU HB3 1 96 ARG HG3 . . 4.550 4.231 3.900 4.468 . 0 0 "[ . 1 . 2]" 1
1717 1 73 GLU HG2 1 74 TYR H . . 4.300 3.214 2.683 4.302 0.002 2 0 "[ . 1 . 2]" 1
1718 1 73 GLU HG2 1 94 ARG HA . . 5.500 4.582 4.106 5.504 0.004 14 0 "[ . 1 . 2]" 1
1719 1 73 GLU HG2 1 94 ARG QD . . 4.790 2.910 2.667 3.383 . 0 0 "[ . 1 . 2]" 1
1720 1 73 GLU HG2 1 94 ARG HG2 . . 5.060 3.997 3.340 4.656 . 0 0 "[ . 1 . 2]" 1
1721 1 73 GLU HG2 1 96 ARG HA . . 5.460 4.543 4.170 5.246 . 0 0 "[ . 1 . 2]" 1
1722 1 73 GLU HG2 1 96 ARG HB2 . . 4.930 4.613 4.418 4.885 . 0 0 "[ . 1 . 2]" 1
1723 1 73 GLU HG2 1 96 ARG HG3 . . 4.650 4.541 4.337 4.650 . 0 0 "[ . 1 . 2]" 1
1724 1 73 GLU HG3 1 74 TYR H . . 3.890 3.115 2.481 3.619 . 0 0 "[ . 1 . 2]" 1
1725 1 73 GLU HG3 1 94 ARG HA . . 5.500 4.992 4.140 5.448 . 0 0 "[ . 1 . 2]" 1
1726 1 73 GLU HG3 1 94 ARG QD . . 4.490 3.965 3.288 4.336 . 0 0 "[ . 1 . 2]" 1
1727 1 73 GLU HG3 1 95 ALA H . . 4.640 4.315 3.813 4.624 . 0 0 "[ . 1 . 2]" 1
1728 1 73 GLU HG3 1 96 ARG H . . 4.980 4.102 3.726 4.914 . 0 0 "[ . 1 . 2]" 1
1729 1 73 GLU HG3 1 96 ARG HA . . 4.850 3.280 2.923 4.040 . 0 0 "[ . 1 . 2]" 1
1730 1 73 GLU HG3 1 96 ARG HB2 . . 4.380 3.147 2.720 4.375 . 0 0 "[ . 1 . 2]" 1
1731 1 73 GLU HG3 1 96 ARG HG3 . . 4.360 3.306 2.897 4.326 . 0 0 "[ . 1 . 2]" 1
1732 1 74 TYR H 1 74 TYR HB2 . . 3.530 2.655 2.546 2.762 . 0 0 "[ . 1 . 2]" 1
1733 1 74 TYR H 1 74 TYR HB3 . . 3.920 3.736 3.661 3.809 . 0 0 "[ . 1 . 2]" 1
1734 1 74 TYR H 1 74 TYR QD . . 3.540 3.277 3.108 3.450 . 0 0 "[ . 1 . 2]" 1
1735 1 74 TYR H 1 76 PHE QE . . 4.790 4.174 3.789 4.566 . 0 0 "[ . 1 . 2]" 1
1736 1 74 TYR H 1 94 ARG HA . . 4.950 4.357 4.127 4.655 . 0 0 "[ . 1 . 2]" 1
1737 1 74 TYR H 1 95 ALA H . . 3.590 3.179 3.012 3.333 . 0 0 "[ . 1 . 2]" 1
1738 1 74 TYR H 1 95 ALA MB . . 4.560 4.328 4.170 4.473 . 0 0 "[ . 1 . 2]" 1
1739 1 74 TYR H 1 96 ARG HA . . 3.580 3.353 3.203 3.536 . 0 0 "[ . 1 . 2]" 1
1740 1 74 TYR H 1 97 THR H . . 4.500 4.432 4.268 4.503 0.003 14 0 "[ . 1 . 2]" 1
1741 1 74 TYR H 1 97 THR MG . . 5.150 4.384 4.206 4.621 . 0 0 "[ . 1 . 2]" 1
1742 1 74 TYR HB2 1 75 ALA H . . 4.150 4.054 3.884 4.143 . 0 0 "[ . 1 . 2]" 1
1743 1 74 TYR HB2 1 76 PHE QD . . 5.080 4.701 4.402 5.057 . 0 0 "[ . 1 . 2]" 1
1744 1 74 TYR HB2 1 76 PHE QE . . 3.810 3.267 2.695 3.731 . 0 0 "[ . 1 . 2]" 1
1745 1 74 TYR HB2 1 76 PHE HZ . . 4.140 3.242 2.981 3.456 . 0 0 "[ . 1 . 2]" 1
1746 1 74 TYR HB2 1 95 ALA H . . 4.880 4.403 4.169 4.621 . 0 0 "[ . 1 . 2]" 1
1747 1 74 TYR HB3 1 75 ALA H . . 3.460 2.809 2.552 2.953 . 0 0 "[ . 1 . 2]" 1
1748 1 74 TYR HB3 1 75 ALA MB . . 5.500 4.595 4.468 4.665 . 0 0 "[ . 1 . 2]" 1
1749 1 74 TYR HB3 1 76 PHE H . . 5.500 5.007 4.623 5.501 0.001 1 0 "[ . 1 . 2]" 1
1750 1 74 TYR HB3 1 76 PHE QD . . 5.050 4.431 4.048 4.646 . 0 0 "[ . 1 . 2]" 1
1751 1 74 TYR HB3 1 76 PHE QE . . 4.500 3.720 3.216 3.979 . 0 0 "[ . 1 . 2]" 1
1752 1 74 TYR HB3 1 76 PHE HZ . . 4.730 3.791 3.368 4.133 . 0 0 "[ . 1 . 2]" 1
1753 1 74 TYR HB3 1 95 ALA H . . 5.500 5.011 4.721 5.284 . 0 0 "[ . 1 . 2]" 1
1754 1 74 TYR QD 1 75 ALA H . . 3.910 3.546 3.226 3.799 . 0 0 "[ . 1 . 2]" 1
1755 1 74 TYR QD 1 96 ARG HA . . 4.830 4.643 4.443 4.816 . 0 0 "[ . 1 . 2]" 1
1756 1 74 TYR QD 1 97 THR H . . 4.290 4.219 4.096 4.287 . 0 0 "[ . 1 . 2]" 1
1757 1 74 TYR QD 1 97 THR MG . . 3.500 3.220 2.906 3.444 . 0 0 "[ . 1 . 2]" 1
1758 1 74 TYR QE 1 97 THR MG . . 4.160 4.054 3.937 4.163 0.003 19 0 "[ . 1 . 2]" 1
1759 1 75 ALA H 1 75 ALA MB . . 3.060 2.309 2.212 2.433 . 0 0 "[ . 1 . 2]" 1
1760 1 75 ALA H 1 76 PHE H . . 4.870 4.320 4.148 4.512 . 0 0 "[ . 1 . 2]" 1
1761 1 75 ALA H 1 94 ARG HG2 . . 4.740 4.309 3.989 4.633 . 0 0 "[ . 1 . 2]" 1
1762 1 75 ALA HA 1 76 PHE H . . 2.790 2.151 2.141 2.185 . 0 0 "[ . 1 . 2]" 1
1763 1 75 ALA HA 1 76 PHE QB . . 4.670 4.453 4.371 4.529 . 0 0 "[ . 1 . 2]" 1
1764 1 75 ALA HA 1 76 PHE QD . . 4.110 3.802 3.466 4.090 . 0 0 "[ . 1 . 2]" 1
1765 1 75 ALA HA 1 93 VAL H . . 4.720 4.504 4.247 4.651 . 0 0 "[ . 1 . 2]" 1
1766 1 75 ALA HA 1 93 VAL QG . . 4.800 4.028 3.839 4.237 . 0 0 "[ . 1 . 2]" 1
1767 1 75 ALA HA 1 94 ARG H . . 4.900 4.610 4.382 4.887 . 0 0 "[ . 1 . 2]" 1
1768 1 75 ALA HA 1 94 ARG HA . . 3.260 2.290 2.062 2.470 . 0 0 "[ . 1 . 2]" 1
1769 1 75 ALA HA 1 94 ARG HB2 . . 5.150 4.860 4.641 5.108 . 0 0 "[ . 1 . 2]" 1
1770 1 75 ALA HA 1 94 ARG HB3 . . 5.040 4.467 4.164 4.710 . 0 0 "[ . 1 . 2]" 1
1771 1 75 ALA HA 1 94 ARG QD . . 4.820 4.525 4.180 4.755 . 0 0 "[ . 1 . 2]" 1
1772 1 75 ALA HA 1 94 ARG HG2 . . 4.080 2.697 2.396 2.912 . 0 0 "[ . 1 . 2]" 1
1773 1 75 ALA HA 1 94 ARG HG3 . . 4.530 3.765 3.468 4.078 . 0 0 "[ . 1 . 2]" 1
1774 1 75 ALA HA 1 95 ALA H . . 3.790 3.564 3.355 3.741 . 0 0 "[ . 1 . 2]" 1
1775 1 75 ALA MB 1 76 PHE H . . 3.390 3.269 2.945 3.409 0.019 18 0 "[ . 1 . 2]" 1
1776 1 75 ALA MB 1 76 PHE HA . . 4.680 4.218 4.074 4.285 . 0 0 "[ . 1 . 2]" 1
1777 1 75 ALA MB 1 76 PHE QD . . 5.090 4.910 4.723 5.060 . 0 0 "[ . 1 . 2]" 1
1778 1 75 ALA MB 1 93 VAL QG . . 5.440 4.460 4.232 4.666 . 0 0 "[ . 1 . 2]" 1
1779 1 75 ALA MB 1 94 ARG HA . . 4.090 3.464 3.177 3.657 . 0 0 "[ . 1 . 2]" 1
1780 1 75 ALA MB 1 94 ARG QD . . 3.780 3.467 2.939 3.760 . 0 0 "[ . 1 . 2]" 1
1781 1 75 ALA MB 1 95 ALA H . . 5.010 4.848 4.619 5.011 0.001 13 0 "[ . 1 . 2]" 1
1782 1 76 PHE H 1 76 PHE QB . . 3.400 2.510 2.462 2.607 . 0 0 "[ . 1 . 2]" 1
1783 1 76 PHE H 1 76 PHE QD . . 3.380 2.557 2.142 3.127 . 0 0 "[ . 1 . 2]" 1
1784 1 76 PHE H 1 76 PHE QE . . 5.200 4.472 4.170 4.902 . 0 0 "[ . 1 . 2]" 1
1785 1 76 PHE H 1 92 ALA HA . . 4.960 4.851 4.533 4.962 0.002 20 0 "[ . 1 . 2]" 1
1786 1 76 PHE H 1 93 VAL QG . . 3.550 2.639 2.354 3.016 . 0 0 "[ . 1 . 2]" 1
1787 1 76 PHE H 1 94 ARG HA . . 3.880 3.368 3.173 3.561 . 0 0 "[ . 1 . 2]" 1
1788 1 76 PHE H 1 94 ARG HG2 . . 5.290 4.606 4.162 4.811 . 0 0 "[ . 1 . 2]" 1
1789 1 76 PHE H 1 94 ARG HG3 . . 5.500 5.237 4.901 5.502 0.002 15 0 "[ . 1 . 2]" 1
1790 1 76 PHE H 1 95 ALA MB . . 5.500 4.714 4.449 5.130 . 0 0 "[ . 1 . 2]" 1
1791 1 76 PHE HA 1 76 PHE QD . . 3.750 2.859 2.582 3.077 . 0 0 "[ . 1 . 2]" 1
1792 1 76 PHE HA 1 77 ARG H . . 2.770 2.276 2.181 2.337 . 0 0 "[ . 1 . 2]" 1
1793 1 76 PHE HA 1 77 ARG HG2 . . 4.720 3.688 3.230 4.092 . 0 0 "[ . 1 . 2]" 1
1794 1 76 PHE HA 1 93 VAL QG . . 4.890 4.196 4.039 4.541 . 0 0 "[ . 1 . 2]" 1
1795 1 76 PHE QB 1 77 ARG H . . 3.550 2.717 2.560 3.022 . 0 0 "[ . 1 . 2]" 1
1796 1 76 PHE QB 1 77 ARG HA . . 4.950 3.948 3.909 4.044 . 0 0 "[ . 1 . 2]" 1
1797 1 76 PHE QB 1 78 VAL MG2 . . 4.380 3.892 3.734 4.061 . 0 0 "[ . 1 . 2]" 1
1798 1 76 PHE QB 1 93 VAL H . . 4.370 3.741 3.409 3.977 . 0 0 "[ . 1 . 2]" 1
1799 1 76 PHE QB 1 93 VAL MG1 . . 4.460 4.384 4.274 4.464 0.004 14 0 "[ . 1 . 2]" 1
1800 1 76 PHE QB 1 93 VAL QG . . 3.320 2.160 1.941 2.376 . 0 0 "[ . 1 . 2]" 1
1801 1 76 PHE QB 1 93 VAL MG2 . . 4.460 2.165 1.944 2.385 . 0 0 "[ . 1 . 2]" 1
1802 1 76 PHE QD 1 77 ARG H . . 4.280 3.941 3.752 4.105 . 0 0 "[ . 1 . 2]" 1
1803 1 76 PHE QD 1 93 VAL QG . . 3.260 2.734 2.608 2.916 . 0 0 "[ . 1 . 2]" 1
1804 1 76 PHE QD 1 94 ARG HA . . 4.520 3.913 3.576 4.101 . 0 0 "[ . 1 . 2]" 1
1805 1 76 PHE QD 1 95 ALA H . . 4.140 3.286 2.954 3.639 . 0 0 "[ . 1 . 2]" 1
1806 1 76 PHE QD 1 95 ALA MB . . 3.710 2.894 2.646 3.222 . 0 0 "[ . 1 . 2]" 1
1807 1 76 PHE QE 1 93 VAL QG . . 5.270 4.587 4.329 4.763 . 0 0 "[ . 1 . 2]" 1
1808 1 76 PHE QE 1 94 ARG HA . . 5.040 4.854 4.340 5.045 0.005 14 0 "[ . 1 . 2]" 1
1809 1 76 PHE QE 1 95 ALA H . . 3.880 3.233 2.813 3.605 . 0 0 "[ . 1 . 2]" 1
1810 1 76 PHE QE 1 95 ALA MB . . 3.150 2.106 1.981 2.358 . 0 0 "[ . 1 . 2]" 1
1811 1 76 PHE HZ 1 95 ALA MB . . 4.210 4.111 3.902 4.193 . 0 0 "[ . 1 . 2]" 1
1812 1 77 ARG H 1 77 ARG HB3 . . 4.110 3.436 3.273 3.652 . 0 0 "[ . 1 . 2]" 1
1813 1 77 ARG H 1 77 ARG HG2 . . 3.340 2.644 2.468 2.809 . 0 0 "[ . 1 . 2]" 1
1814 1 77 ARG H 1 77 ARG HG3 . . 4.090 3.411 2.900 4.057 . 0 0 "[ . 1 . 2]" 1
1815 1 77 ARG H 1 78 VAL H . . 4.810 4.047 3.911 4.197 . 0 0 "[ . 1 . 2]" 1
1816 1 77 ARG HA 1 78 VAL H . . 2.970 2.149 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
1817 1 77 ARG HA 1 78 VAL HB . . 5.100 4.723 4.664 4.762 . 0 0 "[ . 1 . 2]" 1
1818 1 77 ARG HA 1 78 VAL MG2 . . 4.360 3.505 3.358 3.701 . 0 0 "[ . 1 . 2]" 1
1819 1 77 ARG HA 1 90 SER H . . 4.720 4.336 4.012 4.683 . 0 0 "[ . 1 . 2]" 1
1820 1 77 ARG HA 1 90 SER HB3 . . 4.340 3.959 3.744 4.209 . 0 0 "[ . 1 . 2]" 1
1821 1 77 ARG HA 1 92 ALA HA . . 4.410 3.152 2.639 3.491 . 0 0 "[ . 1 . 2]" 1
1822 1 77 ARG HA 1 93 VAL H . . 4.470 3.748 3.600 3.886 . 0 0 "[ . 1 . 2]" 1
1823 1 77 ARG HA 1 93 VAL MG1 . . 4.970 4.589 4.184 4.938 . 0 0 "[ . 1 . 2]" 1
1824 1 77 ARG HA 1 93 VAL QG . . 4.220 3.647 3.445 4.023 . 0 0 "[ . 1 . 2]" 1
1825 1 77 ARG HA 1 93 VAL MG2 . . 4.970 3.838 3.562 4.277 . 0 0 "[ . 1 . 2]" 1
1826 1 77 ARG HB2 1 77 ARG HD2 . . 4.200 3.067 2.352 3.775 . 0 0 "[ . 1 . 2]" 1
1827 1 77 ARG HB2 1 77 ARG QD . . 3.570 2.478 2.190 3.090 . 0 0 "[ . 1 . 2]" 1
1828 1 77 ARG HB2 1 77 ARG HD3 . . 4.200 2.887 2.215 3.964 . 0 0 "[ . 1 . 2]" 1
1829 1 77 ARG HB2 1 78 VAL H . . 3.710 3.376 3.146 3.546 . 0 0 "[ . 1 . 2]" 1
1830 1 77 ARG HB2 1 78 VAL MG2 . . 5.500 5.036 4.887 5.214 . 0 0 "[ . 1 . 2]" 1
1831 1 77 ARG HB2 1 89 PRO QB . . 4.700 2.580 2.143 2.959 . 0 0 "[ . 1 . 2]" 1
1832 1 77 ARG HB2 1 90 SER H . . 4.340 3.327 3.028 3.767 . 0 0 "[ . 1 . 2]" 1
1833 1 77 ARG HB2 1 92 ALA HA . . 4.030 3.493 3.150 3.966 . 0 0 "[ . 1 . 2]" 1
1834 1 77 ARG HB3 1 77 ARG HD2 . . 4.050 3.218 2.103 3.826 . 0 0 "[ . 1 . 2]" 1
1835 1 77 ARG HB3 1 77 ARG HD3 . . 4.050 2.730 2.259 3.522 . 0 0 "[ . 1 . 2]" 1
1836 1 77 ARG HB3 1 77 ARG HE . . 4.680 3.640 1.973 4.725 0.045 13 0 "[ . 1 . 2]" 1
1837 1 77 ARG HB3 1 92 ALA H . . 4.980 4.299 3.888 4.705 . 0 0 "[ . 1 . 2]" 1
1838 1 77 ARG HB3 1 92 ALA HA . . 4.940 2.465 2.083 2.895 . 0 0 "[ . 1 . 2]" 1
1839 1 77 ARG HB3 1 92 ALA MB . . 4.290 2.593 2.200 3.173 . 0 0 "[ . 1 . 2]" 1
1840 1 77 ARG HB3 1 93 VAL H . . 4.730 3.829 3.565 4.457 . 0 0 "[ . 1 . 2]" 1
1841 1 77 ARG QD 1 89 PRO QB . . 3.430 2.390 1.856 3.425 . 0 0 "[ . 1 . 2]" 1
1842 1 77 ARG QD 1 89 PRO QG . . 5.110 3.251 2.740 4.235 . 0 0 "[ . 1 . 2]" 1
1843 1 77 ARG QD 1 92 ALA MB . . 4.000 3.079 2.169 3.996 . 0 0 "[ . 1 . 2]" 1
1844 1 77 ARG HD2 1 89 PRO HB2 . . 4.610 3.282 2.308 4.559 . 0 0 "[ . 1 . 2]" 1
1845 1 77 ARG HD2 1 89 PRO HB3 . . 4.610 3.202 2.005 4.648 0.038 12 0 "[ . 1 . 2]" 1
1846 1 77 ARG HD3 1 89 PRO HB2 . . 4.610 3.307 2.105 4.563 . 0 0 "[ . 1 . 2]" 1
1847 1 77 ARG HD3 1 89 PRO HB3 . . 4.610 3.642 2.014 4.610 . 0 0 "[ . 1 . 2]" 1
1848 1 77 ARG HE 1 77 ARG HG2 . . 4.000 2.693 2.194 3.557 . 0 0 "[ . 1 . 2]" 1
1849 1 77 ARG HE 1 89 PRO QB . . 4.920 4.028 1.806 4.921 0.001 14 0 "[ . 1 . 2]" 1
1850 1 77 ARG HG2 1 92 ALA HA . . 5.010 4.805 4.162 5.026 0.016 12 0 "[ . 1 . 2]" 1
1851 1 77 ARG HG3 1 89 PRO HB2 . . 4.320 3.818 2.439 4.321 0.001 9 0 "[ . 1 . 2]" 1
1852 1 77 ARG HG3 1 89 PRO HB3 . . 4.320 3.450 2.162 4.023 . 0 0 "[ . 1 . 2]" 1
1853 1 78 VAL H 1 78 VAL HB . . 3.630 2.636 2.578 2.680 . 0 0 "[ . 1 . 2]" 1
1854 1 78 VAL H 1 78 VAL MG1 . . 3.990 3.839 3.809 3.864 . 0 0 "[ . 1 . 2]" 1
1855 1 78 VAL H 1 78 VAL MG2 . . 3.740 2.389 2.182 2.621 . 0 0 "[ . 1 . 2]" 1
1856 1 78 VAL H 1 79 LEU H . . 4.800 4.547 4.514 4.583 . 0 0 "[ . 1 . 2]" 1
1857 1 78 VAL H 1 89 PRO HA . . 5.500 5.020 4.698 5.270 . 0 0 "[ . 1 . 2]" 1
1858 1 78 VAL H 1 89 PRO QB . . 5.330 4.884 4.512 5.143 . 0 0 "[ . 1 . 2]" 1
1859 1 78 VAL H 1 90 SER H . . 3.730 3.483 3.121 3.728 . 0 0 "[ . 1 . 2]" 1
1860 1 78 VAL H 1 90 SER HB3 . . 3.200 2.843 2.695 3.070 . 0 0 "[ . 1 . 2]" 1
1861 1 78 VAL H 1 92 ALA HA . . 5.500 4.983 4.398 5.330 . 0 0 "[ . 1 . 2]" 1
1862 1 78 VAL HA 1 78 VAL MG2 . . 3.730 2.458 2.344 2.529 . 0 0 "[ . 1 . 2]" 1
1863 1 78 VAL HA 1 79 LEU H . . 2.920 2.303 2.234 2.388 . 0 0 "[ . 1 . 2]" 1
1864 1 78 VAL HB 1 79 LEU H . . 4.130 3.683 3.494 3.889 . 0 0 "[ . 1 . 2]" 1
1865 1 78 VAL HB 1 90 SER H . . 5.200 4.646 4.199 4.916 . 0 0 "[ . 1 . 2]" 1
1866 1 78 VAL HB 1 90 SER HB2 . . 4.810 4.334 4.177 4.497 . 0 0 "[ . 1 . 2]" 1
1867 1 78 VAL HB 1 90 SER HB3 . . 5.500 3.637 3.183 3.828 . 0 0 "[ . 1 . 2]" 1
1868 1 78 VAL MG1 1 79 LEU H . . 3.500 1.963 1.834 2.154 . 0 0 "[ . 1 . 2]" 1
1869 1 78 VAL MG1 1 90 SER HB2 . . 5.310 5.108 4.854 5.293 . 0 0 "[ . 1 . 2]" 1
1870 1 78 VAL MG2 1 79 LEU H . . 3.970 3.922 3.839 3.984 0.014 14 0 "[ . 1 . 2]" 1
1871 1 78 VAL MG2 1 90 SER HB2 . . 5.500 5.374 5.190 5.499 . 0 0 "[ . 1 . 2]" 1
1872 1 79 LEU H 1 79 LEU MD1 . . 4.260 3.725 3.117 4.260 . 0 0 "[ . 1 . 2]" 1
1873 1 79 LEU H 1 79 LEU QD . . 3.670 2.670 1.885 3.199 . 0 0 "[ . 1 . 2]" 1
1874 1 79 LEU H 1 79 LEU MD2 . . 4.260 3.063 1.887 3.968 . 0 0 "[ . 1 . 2]" 1
1875 1 79 LEU H 1 79 LEU HG . . 3.250 2.582 2.120 3.103 . 0 0 "[ . 1 . 2]" 1
1876 1 79 LEU HA 1 80 ALA H . . 3.260 2.216 2.144 2.325 . 0 0 "[ . 1 . 2]" 1
1877 1 79 LEU HB2 1 80 ALA H . . 3.570 2.972 2.604 3.370 . 0 0 "[ . 1 . 2]" 1
1878 1 79 LEU HB2 1 87 GLY H . . 5.500 3.915 3.496 4.351 . 0 0 "[ . 1 . 2]" 1
1879 1 79 LEU HB2 1 87 GLY HA3 . . 5.500 4.420 3.961 4.693 . 0 0 "[ . 1 . 2]" 1
1880 1 79 LEU HB2 1 89 PRO HA . . 4.260 3.462 2.971 3.690 . 0 0 "[ . 1 . 2]" 1
1881 1 79 LEU HB3 1 80 ALA H . . 4.450 3.969 3.771 4.131 . 0 0 "[ . 1 . 2]" 1
1882 1 79 LEU HB3 1 89 PRO HA . . 4.020 2.025 1.996 2.101 . 0 0 "[ . 1 . 2]" 1
1883 1 79 LEU HB3 1 89 PRO HB2 . . 4.610 4.454 4.163 4.613 0.003 12 0 "[ . 1 . 2]" 1
1884 1 79 LEU HB3 1 89 PRO HB3 . . 4.610 3.407 2.982 3.772 . 0 0 "[ . 1 . 2]" 1
1885 1 79 LEU HB3 1 90 SER H . . 4.370 3.592 3.218 3.834 . 0 0 "[ . 1 . 2]" 1
1886 1 79 LEU QD 1 80 ALA H . . 4.130 3.871 3.494 4.130 0.000 9 0 "[ . 1 . 2]" 1
1887 1 79 LEU QD 1 86 ARG H . . 5.250 4.922 4.703 5.175 . 0 0 "[ . 1 . 2]" 1
1888 1 79 LEU QD 1 86 ARG HA . . 4.250 3.497 3.094 3.963 . 0 0 "[ . 1 . 2]" 1
1889 1 79 LEU QD 1 86 ARG QB . . 3.260 1.992 1.832 2.213 . 0 0 "[ . 1 . 2]" 1
1890 1 79 LEU QD 1 86 ARG QD . . 3.760 2.748 2.167 3.758 . 0 0 "[ . 1 . 2]" 1
1891 1 79 LEU QD 1 86 ARG QG . . 4.040 3.315 2.921 3.750 . 0 0 "[ . 1 . 2]" 1
1892 1 79 LEU QD 1 87 GLY H . . 4.170 3.584 3.075 4.058 . 0 0 "[ . 1 . 2]" 1
1893 1 79 LEU QD 1 89 PRO HA . . 5.340 2.933 2.467 3.325 . 0 0 "[ . 1 . 2]" 1
1894 1 79 LEU QD 1 89 PRO QB . . 3.690 2.796 2.400 3.147 . 0 0 "[ . 1 . 2]" 1
1895 1 79 LEU QD 1 89 PRO QD . . 4.360 3.380 2.955 3.670 . 0 0 "[ . 1 . 2]" 1
1896 1 79 LEU QD 1 89 PRO QG . . 4.240 4.008 3.675 4.246 0.006 14 0 "[ . 1 . 2]" 1
1897 1 79 LEU QD 1 90 SER H . . 5.030 4.203 3.535 4.784 . 0 0 "[ . 1 . 2]" 1
1898 1 80 ALA H 1 80 ALA MB . . 3.240 2.173 2.054 2.299 . 0 0 "[ . 1 . 2]" 1
1899 1 80 ALA H 1 81 VAL H . . 4.920 4.602 4.580 4.623 . 0 0 "[ . 1 . 2]" 1
1900 1 80 ALA H 1 87 GLY H . . 4.850 4.217 3.990 4.465 . 0 0 "[ . 1 . 2]" 1
1901 1 80 ALA H 1 87 GLY HA3 . . 5.070 4.466 4.236 4.745 . 0 0 "[ . 1 . 2]" 1
1902 1 80 ALA MB 1 81 VAL H . . 3.420 2.805 2.688 2.937 . 0 0 "[ . 1 . 2]" 1
1903 1 80 ALA MB 1 81 VAL HA . . 4.870 3.923 3.798 4.012 . 0 0 "[ . 1 . 2]" 1
1904 1 80 ALA MB 1 81 VAL MG2 . . 4.690 4.008 3.917 4.123 . 0 0 "[ . 1 . 2]" 1
1905 1 80 ALA MB 1 86 ARG HA . . 5.500 4.885 4.625 5.104 . 0 0 "[ . 1 . 2]" 1
1906 1 80 ALA MB 1 87 GLY H . . 4.580 3.875 3.667 4.079 . 0 0 "[ . 1 . 2]" 1
1907 1 80 ALA MB 1 88 PRO HD2 . . 5.500 5.144 4.819 5.495 . 0 0 "[ . 1 . 2]" 1
1908 1 81 VAL H 1 81 VAL HB . . 3.320 2.929 2.824 3.034 . 0 0 "[ . 1 . 2]" 1
1909 1 81 VAL H 1 81 VAL MG2 . . 3.150 2.814 2.571 2.959 . 0 0 "[ . 1 . 2]" 1
1910 1 81 VAL H 1 82 ASN H . . 4.480 4.293 4.140 4.422 . 0 0 "[ . 1 . 2]" 1
1911 1 81 VAL H 1 82 ASN HB3 . . 4.980 4.551 4.343 4.774 . 0 0 "[ . 1 . 2]" 1
1912 1 81 VAL H 1 86 ARG HA . . 4.870 4.666 4.522 4.868 . 0 0 "[ . 1 . 2]" 1
1913 1 81 VAL HA 1 81 VAL MG1 . . 3.240 2.217 2.146 2.305 . 0 0 "[ . 1 . 2]" 1
1914 1 81 VAL HA 1 81 VAL MG2 . . 3.730 2.450 2.363 2.559 . 0 0 "[ . 1 . 2]" 1
1915 1 81 VAL HA 1 82 ASN H . . 2.730 2.192 2.144 2.250 . 0 0 "[ . 1 . 2]" 1
1916 1 81 VAL HA 1 82 ASN HB3 . . 4.940 4.289 4.187 4.415 . 0 0 "[ . 1 . 2]" 1
1917 1 81 VAL HA 1 82 ASN HD21 . . 5.460 4.403 3.860 5.467 0.007 7 0 "[ . 1 . 2]" 1
1918 1 81 VAL HA 1 85 GLY H . . 4.690 4.318 4.079 4.620 . 0 0 "[ . 1 . 2]" 1
1919 1 81 VAL HA 1 86 ARG HA . . 4.350 2.192 2.000 2.448 . 0 0 "[ . 1 . 2]" 1
1920 1 81 VAL HA 1 87 GLY H . . 4.510 3.165 2.963 3.290 . 0 0 "[ . 1 . 2]" 1
1921 1 81 VAL HB 1 82 ASN H . . 4.160 3.938 3.744 4.112 . 0 0 "[ . 1 . 2]" 1
1922 1 81 VAL HB 1 86 ARG HA . . 5.500 4.236 3.965 4.605 . 0 0 "[ . 1 . 2]" 1
1923 1 81 VAL MG1 1 82 ASN H . . 3.000 2.246 1.927 2.708 . 0 0 "[ . 1 . 2]" 1
1924 1 81 VAL MG1 1 84 ILE H . . 5.500 5.458 5.300 5.506 0.006 14 0 "[ . 1 . 2]" 1
1925 1 81 VAL MG1 1 85 GLY H . . 4.050 3.750 3.572 4.032 . 0 0 "[ . 1 . 2]" 1
1926 1 81 VAL MG1 1 85 GLY HA2 . . 4.810 3.100 2.822 3.493 . 0 0 "[ . 1 . 2]" 1
1927 1 81 VAL MG1 1 85 GLY QA . . 3.980 3.019 2.755 3.387 . 0 0 "[ . 1 . 2]" 1
1928 1 81 VAL MG1 1 85 GLY HA3 . . 4.810 4.157 3.849 4.553 . 0 0 "[ . 1 . 2]" 1
1929 1 81 VAL MG1 1 86 ARG H . . 4.140 3.146 2.830 3.524 . 0 0 "[ . 1 . 2]" 1
1930 1 81 VAL MG1 1 86 ARG QB . . 4.670 2.210 1.952 3.320 . 0 0 "[ . 1 . 2]" 1
1931 1 81 VAL MG1 1 86 ARG QD . . 5.090 3.732 2.301 4.472 . 0 0 "[ . 1 . 2]" 1
1932 1 81 VAL MG1 1 86 ARG HG2 . . 4.880 3.547 1.922 4.238 . 0 0 "[ . 1 . 2]" 1
1933 1 81 VAL MG1 1 86 ARG HG3 . . 4.880 4.245 1.952 4.861 . 0 0 "[ . 1 . 2]" 1
1934 1 81 VAL MG2 1 86 ARG HA . . 3.450 2.121 1.954 2.652 . 0 0 "[ . 1 . 2]" 1
1935 1 81 VAL MG2 1 86 ARG HB2 . . 4.010 2.511 2.017 3.764 . 0 0 "[ . 1 . 2]" 1
1936 1 81 VAL MG2 1 86 ARG QB . . 3.290 1.987 1.798 2.526 . 0 0 "[ . 1 . 2]" 1
1937 1 81 VAL MG2 1 86 ARG HB3 . . 4.010 2.125 1.863 2.567 . 0 0 "[ . 1 . 2]" 1
1938 1 81 VAL MG2 1 86 ARG HD2 . . 4.790 4.203 3.416 4.788 . 0 0 "[ . 1 . 2]" 1
1939 1 81 VAL MG2 1 86 ARG HD3 . . 4.790 3.893 3.167 4.790 0.000 1 0 "[ . 1 . 2]" 1
1940 1 81 VAL MG2 1 86 ARG QG . . 3.960 3.553 1.901 3.963 0.003 3 0 "[ . 1 . 2]" 1
1941 1 81 VAL MG2 1 87 GLY H . . 3.760 3.231 2.701 3.703 . 0 0 "[ . 1 . 2]" 1
1942 1 82 ASN H 1 83 SER HA . . 5.460 5.309 5.145 5.464 0.004 4 0 "[ . 1 . 2]" 1
1943 1 82 ASN H 1 84 ILE H . . 4.480 4.231 4.052 4.438 . 0 0 "[ . 1 . 2]" 1
1944 1 82 ASN H 1 84 ILE HB . . 5.500 4.376 4.068 4.778 . 0 0 "[ . 1 . 2]" 1
1945 1 82 ASN H 1 85 GLY H . . 3.270 2.695 2.522 2.922 . 0 0 "[ . 1 . 2]" 1
1946 1 82 ASN H 1 85 GLY QA . . 4.620 3.657 3.382 3.812 . 0 0 "[ . 1 . 2]" 1
1947 1 82 ASN H 1 86 ARG HA . . 3.920 3.686 3.378 3.936 0.016 15 0 "[ . 1 . 2]" 1
1948 1 82 ASN H 1 87 GLY H . . 4.850 4.786 4.631 4.857 0.007 12 0 "[ . 1 . 2]" 1
1949 1 82 ASN HA 1 82 ASN HD21 . . 4.610 4.327 4.147 4.590 . 0 0 "[ . 1 . 2]" 1
1950 1 82 ASN HA 1 84 ILE H . . 4.760 4.491 4.282 4.690 . 0 0 "[ . 1 . 2]" 1
1951 1 82 ASN HA 1 85 GLY H . . 4.850 4.709 4.563 4.847 . 0 0 "[ . 1 . 2]" 1
1952 1 82 ASN HB2 1 84 ILE H . . 4.390 3.721 3.167 4.052 . 0 0 "[ . 1 . 2]" 1
1953 1 82 ASN HB3 1 82 ASN HD21 . . 3.500 2.230 2.179 2.270 . 0 0 "[ . 1 . 2]" 1
1954 1 82 ASN HB3 1 82 ASN HD22 . . 3.840 3.479 3.459 3.495 . 0 0 "[ . 1 . 2]" 1
1955 1 82 ASN HB3 1 84 ILE H . . 4.810 4.446 4.251 4.678 . 0 0 "[ . 1 . 2]" 1
1956 1 82 ASN HD21 1 84 ILE MD . . 5.500 5.352 4.866 5.502 0.002 12 0 "[ . 1 . 2]" 1
1957 1 82 ASN HD21 1 84 ILE QG . . 4.920 3.819 3.434 4.092 . 0 0 "[ . 1 . 2]" 1
1958 1 82 ASN HD22 1 84 ILE H . . 4.590 3.333 2.903 3.741 . 0 0 "[ . 1 . 2]" 1
1959 1 82 ASN HD22 1 84 ILE HA . . 5.410 5.037 4.587 5.419 0.009 7 0 "[ . 1 . 2]" 1
1960 1 82 ASN HD22 1 84 ILE HB . . 4.280 2.361 1.977 2.773 . 0 0 "[ . 1 . 2]" 1
1961 1 82 ASN HD22 1 84 ILE MD . . 4.580 4.190 3.934 4.495 . 0 0 "[ . 1 . 2]" 1
1962 1 82 ASN HD22 1 84 ILE QG . . 3.970 2.527 2.281 2.837 . 0 0 "[ . 1 . 2]" 1
1963 1 82 ASN HD22 1 84 ILE MG . . 5.080 3.738 3.485 3.968 . 0 0 "[ . 1 . 2]" 1
1964 1 82 ASN HD22 1 85 GLY H . . 4.860 3.482 3.110 3.967 . 0 0 "[ . 1 . 2]" 1
1965 1 83 SER HA 1 85 GLY H . . 4.990 4.877 4.583 4.986 . 0 0 "[ . 1 . 2]" 1
1966 1 83 SER QB 1 84 ILE H . . 3.770 2.645 2.358 3.165 . 0 0 "[ . 1 . 2]" 1
1967 1 83 SER QB 1 84 ILE MD . . 3.720 3.139 2.363 3.676 . 0 0 "[ . 1 . 2]" 1
1968 1 83 SER QB 1 84 ILE QG . . 4.510 3.381 3.029 4.250 . 0 0 "[ . 1 . 2]" 1
1969 1 84 ILE H 1 84 ILE HB . . 2.970 2.653 2.557 2.772 . 0 0 "[ . 1 . 2]" 1
1970 1 84 ILE H 1 84 ILE MD . . 3.840 2.875 2.034 3.419 . 0 0 "[ . 1 . 2]" 1
1971 1 84 ILE H 1 84 ILE QG . . 3.020 1.986 1.888 2.183 . 0 0 "[ . 1 . 2]" 1
1972 1 84 ILE H 1 84 ILE MG . . 3.820 3.761 3.740 3.770 . 0 0 "[ . 1 . 2]" 1
1973 1 84 ILE H 1 85 GLY H . . 3.010 2.827 2.612 2.968 . 0 0 "[ . 1 . 2]" 1
1974 1 84 ILE H 1 85 GLY QA . . 5.340 4.604 4.502 4.696 . 0 0 "[ . 1 . 2]" 1
1975 1 84 ILE HA 1 84 ILE MD . . 2.990 2.103 1.966 2.387 . 0 0 "[ . 1 . 2]" 1
1976 1 84 ILE HA 1 84 ILE QG . . 3.410 3.008 2.807 3.209 . 0 0 "[ . 1 . 2]" 1
1977 1 84 ILE HA 1 84 ILE MG . . 3.050 2.270 2.157 2.371 . 0 0 "[ . 1 . 2]" 1
1978 1 84 ILE HB 1 84 ILE MD . . 3.640 3.208 3.177 3.226 . 0 0 "[ . 1 . 2]" 1
1979 1 84 ILE HB 1 85 GLY H . . 3.140 2.249 2.165 2.493 . 0 0 "[ . 1 . 2]" 1
1980 1 84 ILE MD 1 85 GLY H . . 4.710 4.465 4.138 4.645 . 0 0 "[ . 1 . 2]" 1
1981 1 84 ILE QG 1 84 ILE MG . . 2.990 2.250 2.027 2.420 . 0 0 "[ . 1 . 2]" 1
1982 1 84 ILE QG 1 85 GLY H . . 3.840 3.730 3.581 3.840 . 0 0 "[ . 1 . 2]" 1
1983 1 84 ILE MG 1 85 GLY H . . 3.700 3.319 3.059 3.678 . 0 0 "[ . 1 . 2]" 1
1984 1 84 ILE MG 1 85 GLY QA . . 4.120 3.489 3.246 3.766 . 0 0 "[ . 1 . 2]" 1
1985 1 85 GLY H 1 86 ARG H . . 4.620 4.382 4.333 4.416 . 0 0 "[ . 1 . 2]" 1
1986 1 85 GLY QA 1 86 ARG H . . 2.570 2.264 2.222 2.284 . 0 0 "[ . 1 . 2]" 1
1987 1 85 GLY QA 1 86 ARG QB . . 4.940 4.152 3.984 4.324 . 0 0 "[ . 1 . 2]" 1
1988 1 85 GLY QA 1 86 ARG QG . . 4.200 3.635 3.156 4.015 . 0 0 "[ . 1 . 2]" 1
1989 1 85 GLY HA2 1 86 ARG H . . 2.980 2.633 2.406 2.838 . 0 0 "[ . 1 . 2]" 1
1990 1 85 GLY HA3 1 86 ARG H . . 2.980 2.503 2.322 2.733 . 0 0 "[ . 1 . 2]" 1
1991 1 86 ARG H 1 86 ARG HB2 . . 3.650 3.518 2.543 3.661 0.011 16 0 "[ . 1 . 2]" 1
1992 1 86 ARG H 1 86 ARG QB . . 3.120 2.730 2.498 2.990 . 0 0 "[ . 1 . 2]" 1
1993 1 86 ARG H 1 86 ARG HB3 . . 3.650 2.938 2.562 3.653 0.003 15 0 "[ . 1 . 2]" 1
1994 1 86 ARG H 1 86 ARG HD2 . . 4.820 4.420 3.394 4.708 . 0 0 "[ . 1 . 2]" 1
1995 1 86 ARG H 1 86 ARG QD . . 4.180 3.787 2.795 4.037 . 0 0 "[ . 1 . 2]" 1
1996 1 86 ARG H 1 86 ARG HD3 . . 4.820 4.184 2.975 4.725 . 0 0 "[ . 1 . 2]" 1
1997 1 86 ARG H 1 86 ARG QG . . 2.830 2.003 1.871 2.398 . 0 0 "[ . 1 . 2]" 1
1998 1 86 ARG H 1 87 GLY H . . 4.570 4.422 4.277 4.559 . 0 0 "[ . 1 . 2]" 1
1999 1 86 ARG HA 1 87 GLY H . . 2.890 2.149 2.143 2.171 . 0 0 "[ . 1 . 2]" 1
2000 1 86 ARG QB 1 86 ARG QD . . 2.950 2.133 2.009 2.354 . 0 0 "[ . 1 . 2]" 1
2001 1 86 ARG QB 1 87 GLY H . . 4.210 3.324 3.097 3.473 . 0 0 "[ . 1 . 2]" 1
2002 1 86 ARG HB2 1 86 ARG HD2 . . 4.160 2.843 2.109 4.056 . 0 0 "[ . 1 . 2]" 1
2003 1 86 ARG HB2 1 86 ARG HD3 . . 4.160 3.018 2.077 3.706 . 0 0 "[ . 1 . 2]" 1
2004 1 86 ARG HB3 1 86 ARG HD2 . . 4.160 3.148 2.409 3.962 . 0 0 "[ . 1 . 2]" 1
2005 1 86 ARG HB3 1 86 ARG HD3 . . 4.160 2.831 2.074 3.820 . 0 0 "[ . 1 . 2]" 1
2006 1 87 GLY H 1 88 PRO HD2 . . 4.450 4.438 4.363 4.486 0.036 12 0 "[ . 1 . 2]" 1
2007 1 87 GLY HA2 1 88 PRO HD2 . . 3.650 2.904 2.852 2.981 . 0 0 "[ . 1 . 2]" 1
2008 1 87 GLY HA2 1 88 PRO HD3 . . 3.670 2.623 2.578 2.692 . 0 0 "[ . 1 . 2]" 1
2009 1 87 GLY HA2 1 88 PRO QG . . 5.110 4.358 4.317 4.420 . 0 0 "[ . 1 . 2]" 1
2010 1 87 GLY HA3 1 88 PRO HD2 . . 3.100 2.161 2.103 2.203 . 0 0 "[ . 1 . 2]" 1
2011 1 89 PRO HA 1 90 SER H . . 2.940 2.245 2.150 2.341 . 0 0 "[ . 1 . 2]" 1
2012 1 89 PRO QB 1 90 SER H . . 3.670 2.943 2.674 3.383 . 0 0 "[ . 1 . 2]" 1
2013 1 89 PRO HB2 1 90 SER H . . 4.330 3.087 2.768 3.621 . 0 0 "[ . 1 . 2]" 1
2014 1 89 PRO HB3 1 90 SER H . . 4.330 3.719 3.534 4.060 . 0 0 "[ . 1 . 2]" 1
2015 1 90 SER H 1 90 SER HB2 . . 3.340 2.836 2.673 3.070 . 0 0 "[ . 1 . 2]" 1
2016 1 90 SER H 1 90 SER HB3 . . 3.750 2.367 2.275 2.456 . 0 0 "[ . 1 . 2]" 1
2017 1 90 SER H 1 91 GLU H . . 4.800 4.579 4.538 4.615 . 0 0 "[ . 1 . 2]" 1
2018 1 90 SER HA 1 91 GLU H . . 2.660 2.464 2.369 2.553 . 0 0 "[ . 1 . 2]" 1
2019 1 90 SER HB2 1 91 GLU H . . 3.850 3.604 3.431 3.808 . 0 0 "[ . 1 . 2]" 1
2020 1 90 SER HB3 1 91 GLU H . . 3.700 3.611 3.492 3.700 . 0 0 "[ . 1 . 2]" 1
2021 1 91 GLU H 1 91 GLU HB2 . . 3.640 2.979 2.325 3.616 . 0 0 "[ . 1 . 2]" 1
2022 1 91 GLU H 1 91 GLU QB . . 2.900 2.426 2.296 2.581 . 0 0 "[ . 1 . 2]" 1
2023 1 91 GLU H 1 91 GLU HB3 . . 3.640 3.077 2.499 3.580 . 0 0 "[ . 1 . 2]" 1
2024 1 91 GLU H 1 91 GLU HG2 . . 3.840 2.849 1.925 3.823 . 0 0 "[ . 1 . 2]" 1
2025 1 91 GLU H 1 91 GLU QG . . 3.320 2.268 1.914 2.566 . 0 0 "[ . 1 . 2]" 1
2026 1 91 GLU H 1 91 GLU HG3 . . 3.840 3.005 2.424 3.668 . 0 0 "[ . 1 . 2]" 1
2027 1 91 GLU H 1 92 ALA H . . 4.650 4.259 4.191 4.460 . 0 0 "[ . 1 . 2]" 1
2028 1 91 GLU HA 1 91 GLU HG2 . . 3.910 3.020 2.240 3.712 . 0 0 "[ . 1 . 2]" 1
2029 1 91 GLU HA 1 91 GLU HG3 . . 3.910 3.382 2.686 3.919 0.009 14 0 "[ . 1 . 2]" 1
2030 1 91 GLU HA 1 92 ALA H . . 2.590 2.198 2.139 2.230 . 0 0 "[ . 1 . 2]" 1
2031 1 91 GLU HA 1 92 ALA HA . . 4.570 4.474 4.394 4.505 . 0 0 "[ . 1 . 2]" 1
2032 1 91 GLU HA 1 92 ALA MB . . 4.080 3.980 3.942 4.023 . 0 0 "[ . 1 . 2]" 1
2033 1 91 GLU QB 1 92 ALA H . . 3.700 3.659 3.379 3.715 0.015 12 0 "[ . 1 . 2]" 1
2034 1 91 GLU QB 1 92 ALA MB . . 5.030 4.693 4.592 4.751 . 0 0 "[ . 1 . 2]" 1
2035 1 91 GLU QG 1 92 ALA H . . 4.450 4.269 4.099 4.432 . 0 0 "[ . 1 . 2]" 1
2036 1 91 GLU QG 1 92 ALA MB . . 5.340 5.251 5.045 5.339 . 0 0 "[ . 1 . 2]" 1
2037 1 91 GLU HG2 1 92 ALA H . . 5.230 4.722 4.283 5.086 . 0 0 "[ . 1 . 2]" 1
2038 1 91 GLU HG3 1 92 ALA H . . 5.230 4.949 4.517 5.230 0.000 5 0 "[ . 1 . 2]" 1
2039 1 92 ALA H 1 92 ALA MB . . 2.830 2.165 2.096 2.243 . 0 0 "[ . 1 . 2]" 1
2040 1 92 ALA H 1 93 VAL H . . 4.710 4.545 4.499 4.627 . 0 0 "[ . 1 . 2]" 1
2041 1 92 ALA HA 1 93 VAL H . . 2.740 2.158 2.143 2.235 . 0 0 "[ . 1 . 2]" 1
2042 1 92 ALA HA 1 93 VAL MG1 . . 4.650 3.763 3.566 3.939 . 0 0 "[ . 1 . 2]" 1
2043 1 92 ALA HA 1 93 VAL QG . . 3.990 3.351 3.267 3.423 . 0 0 "[ . 1 . 2]" 1
2044 1 92 ALA HA 1 93 VAL MG2 . . 4.650 3.776 3.580 3.968 . 0 0 "[ . 1 . 2]" 1
2045 1 92 ALA MB 1 93 VAL H . . 3.210 3.104 2.792 3.214 0.004 7 0 "[ . 1 . 2]" 1
2046 1 92 ALA MB 1 93 VAL MG1 . . 5.500 4.405 4.288 4.484 . 0 0 "[ . 1 . 2]" 1
2047 1 92 ALA MB 1 93 VAL MG2 . . 5.500 4.433 4.131 4.543 . 0 0 "[ . 1 . 2]" 1
2048 1 93 VAL H 1 93 VAL HB . . 3.890 3.745 3.695 3.793 . 0 0 "[ . 1 . 2]" 1
2049 1 93 VAL H 1 93 VAL MG1 . . 3.530 2.786 2.496 3.087 . 0 0 "[ . 1 . 2]" 1
2050 1 93 VAL H 1 93 VAL QG . . 2.980 2.052 1.929 2.218 . 0 0 "[ . 1 . 2]" 1
2051 1 93 VAL H 1 93 VAL MG2 . . 3.530 2.118 1.973 2.331 . 0 0 "[ . 1 . 2]" 1
2052 1 93 VAL H 1 94 ARG H . . 4.800 4.481 4.394 4.529 . 0 0 "[ . 1 . 2]" 1
2053 1 93 VAL H 1 94 ARG HG3 . . 5.500 5.452 5.131 5.501 0.001 18 0 "[ . 1 . 2]" 1
2054 1 93 VAL HB 1 94 ARG H . . 3.490 2.869 2.338 3.185 . 0 0 "[ . 1 . 2]" 1
2055 1 93 VAL HB 1 94 ARG HA . . 5.500 4.646 4.389 4.881 . 0 0 "[ . 1 . 2]" 1
2056 1 93 VAL QG 1 94 ARG H . . 3.490 3.362 3.144 3.499 0.009 7 0 "[ . 1 . 2]" 1
2057 1 93 VAL QG 1 94 ARG HA . . 4.480 3.833 3.617 4.073 . 0 0 "[ . 1 . 2]" 1
2058 1 93 VAL QG 1 94 ARG HB2 . . 5.400 5.006 4.849 5.143 . 0 0 "[ . 1 . 2]" 1
2059 1 93 VAL QG 1 95 ALA H . . 4.920 4.259 3.929 4.503 . 0 0 "[ . 1 . 2]" 1
2060 1 93 VAL MG1 1 94 ARG H . . 4.050 3.853 3.642 4.032 . 0 0 "[ . 1 . 2]" 1
2061 1 93 VAL MG2 1 94 ARG H . . 4.050 3.715 3.437 3.984 . 0 0 "[ . 1 . 2]" 1
2062 1 94 ARG H 1 94 ARG HB2 . . 3.160 2.401 2.265 2.578 . 0 0 "[ . 1 . 2]" 1
2063 1 94 ARG H 1 94 ARG HB3 . . 3.880 3.613 3.532 3.709 . 0 0 "[ . 1 . 2]" 1
2064 1 94 ARG H 1 94 ARG QD . . 5.100 4.662 4.322 5.061 . 0 0 "[ . 1 . 2]" 1
2065 1 94 ARG H 1 94 ARG HG2 . . 4.220 4.044 3.771 4.202 . 0 0 "[ . 1 . 2]" 1
2066 1 94 ARG H 1 94 ARG HG3 . . 4.170 3.289 2.956 3.608 . 0 0 "[ . 1 . 2]" 1
2067 1 94 ARG H 1 95 ALA H . . 4.430 4.349 4.206 4.433 0.003 8 0 "[ . 1 . 2]" 1
2068 1 94 ARG HA 1 94 ARG QD . . 4.140 3.824 3.693 3.948 . 0 0 "[ . 1 . 2]" 1
2069 1 94 ARG HA 1 94 ARG HG2 . . 3.590 2.298 2.247 2.420 . 0 0 "[ . 1 . 2]" 1
2070 1 94 ARG HA 1 94 ARG HG3 . . 3.980 3.071 2.944 3.220 . 0 0 "[ . 1 . 2]" 1
2071 1 94 ARG HA 1 95 ALA H . . 2.670 2.144 2.139 2.178 . 0 0 "[ . 1 . 2]" 1
2072 1 94 ARG HA 1 95 ALA MB . . 4.330 3.985 3.931 4.029 . 0 0 "[ . 1 . 2]" 1
2073 1 94 ARG HB2 1 94 ARG QD . . 3.730 2.743 2.434 3.126 . 0 0 "[ . 1 . 2]" 1
2074 1 94 ARG HB2 1 95 ALA H . . 4.500 4.399 4.230 4.460 . 0 0 "[ . 1 . 2]" 1
2075 1 94 ARG HB3 1 94 ARG QD . . 3.350 2.234 2.078 2.431 . 0 0 "[ . 1 . 2]" 1
2076 1 94 ARG HB3 1 94 ARG HG3 . . 2.990 2.994 2.973 3.010 0.020 5 0 "[ . 1 . 2]" 1
2077 1 94 ARG HB3 1 95 ALA H . . 3.810 3.456 3.153 3.629 . 0 0 "[ . 1 . 2]" 1
2078 1 94 ARG QD 1 95 ALA H . . 4.990 4.957 4.838 4.993 0.003 15 0 "[ . 1 . 2]" 1
2079 1 94 ARG HG2 1 95 ALA H . . 4.330 4.045 3.912 4.218 . 0 0 "[ . 1 . 2]" 1
2080 1 94 ARG HG3 1 95 ALA H . . 5.500 5.096 4.948 5.286 . 0 0 "[ . 1 . 2]" 1
2081 1 95 ALA H 1 95 ALA MB . . 3.210 2.554 2.467 2.617 . 0 0 "[ . 1 . 2]" 1
2082 1 95 ALA H 1 96 ARG H . . 4.370 4.270 4.187 4.351 . 0 0 "[ . 1 . 2]" 1
2083 1 95 ALA H 1 96 ARG HA . . 4.910 4.750 4.655 4.865 . 0 0 "[ . 1 . 2]" 1
2084 1 95 ALA MB 1 96 ARG H . . 3.230 3.140 3.076 3.193 . 0 0 "[ . 1 . 2]" 1
2085 1 95 ALA MB 1 96 ARG HA . . 4.830 4.314 4.269 4.339 . 0 0 "[ . 1 . 2]" 1
2086 1 96 ARG H 1 96 ARG HB2 . . 2.860 2.443 2.397 2.485 . 0 0 "[ . 1 . 2]" 1
2087 1 96 ARG H 1 96 ARG HB3 . . 3.200 2.788 2.728 2.839 . 0 0 "[ . 1 . 2]" 1
2088 1 96 ARG H 1 96 ARG QD . . 4.860 4.601 4.385 4.841 . 0 0 "[ . 1 . 2]" 1
2089 1 96 ARG H 1 96 ARG HG2 . . 4.670 4.578 4.522 4.633 . 0 0 "[ . 1 . 2]" 1
2090 1 96 ARG H 1 96 ARG HG3 . . 4.420 4.377 4.330 4.426 0.006 19 0 "[ . 1 . 2]" 1
2091 1 96 ARG HA 1 96 ARG QD . . 4.750 4.025 3.910 4.121 . 0 0 "[ . 1 . 2]" 1
2092 1 96 ARG HA 1 96 ARG HG2 . . 4.000 2.830 2.680 2.984 . 0 0 "[ . 1 . 2]" 1
2093 1 96 ARG HA 1 96 ARG HG3 . . 3.740 2.441 2.281 2.609 . 0 0 "[ . 1 . 2]" 1
2094 1 96 ARG HA 1 97 THR H . . 2.760 2.144 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
2095 1 96 ARG HA 1 97 THR MG . . 4.510 3.576 3.392 3.726 . 0 0 "[ . 1 . 2]" 1
2096 1 96 ARG HB2 1 96 ARG QD . . 3.730 2.524 2.208 3.040 . 0 0 "[ . 1 . 2]" 1
2097 1 96 ARG HB2 1 97 THR H . . 4.530 4.442 4.357 4.510 . 0 0 "[ . 1 . 2]" 1
2098 1 96 ARG HB3 1 96 ARG QD . . 3.760 2.534 2.256 2.959 . 0 0 "[ . 1 . 2]" 1
2099 1 96 ARG HB3 1 97 THR H . . 4.340 4.042 3.961 4.124 . 0 0 "[ . 1 . 2]" 1
2100 1 96 ARG HB3 1 97 THR MG . . 5.500 5.416 5.294 5.503 0.003 20 0 "[ . 1 . 2]" 1
2101 1 96 ARG QD 1 97 THR H . . 5.270 4.933 4.656 5.132 . 0 0 "[ . 1 . 2]" 1
2102 1 96 ARG HG2 1 97 THR H . . 3.760 3.161 2.892 3.558 . 0 0 "[ . 1 . 2]" 1
2103 1 96 ARG HG3 1 97 THR H . . 3.820 3.661 3.443 3.798 . 0 0 "[ . 1 . 2]" 1
2104 1 97 THR H 1 97 THR MG . . 3.250 2.075 1.891 2.255 . 0 0 "[ . 1 . 2]" 1
2105 1 97 THR H 1 98 GLY H . . 4.880 4.637 4.622 4.644 . 0 0 "[ . 1 . 2]" 1
2106 1 97 THR HA 1 97 THR MG . . 3.230 2.457 2.385 2.541 . 0 0 "[ . 1 . 2]" 1
2107 1 97 THR HA 1 98 GLY H . . 2.930 2.319 2.269 2.351 . 0 0 "[ . 1 . 2]" 1
2108 1 97 THR HA 1 98 GLY HA2 . . 4.460 4.318 4.309 4.336 . 0 0 "[ . 1 . 2]" 1
2109 1 97 THR HA 1 98 GLY HA3 . . 4.690 4.453 4.431 4.477 . 0 0 "[ . 1 . 2]" 1
2110 1 97 THR HB 1 98 GLY H . . 3.270 2.644 2.551 2.765 . 0 0 "[ . 1 . 2]" 1
2111 1 97 THR MG 1 98 GLY H . . 4.070 3.893 3.751 4.030 . 0 0 "[ . 1 . 2]" 1
2112 1 98 GLY H 1 99 GLU H . . 4.710 4.597 4.535 4.635 . 0 0 "[ . 1 . 2]" 1
2113 1 98 GLY HA2 1 99 GLU H . . 2.910 2.442 2.308 2.568 . 0 0 "[ . 1 . 2]" 1
2114 1 98 GLY HA2 1 99 GLU QB . . 5.100 4.313 4.115 4.537 . 0 0 "[ . 1 . 2]" 1
2115 1 98 GLY HA3 1 99 GLU H . . 2.990 2.696 2.559 2.858 . 0 0 "[ . 1 . 2]" 1
2116 1 99 GLU H 1 99 GLU HB2 . . 3.750 3.462 2.197 3.755 0.005 17 0 "[ . 1 . 2]" 1
2117 1 99 GLU H 1 99 GLU QB . . 3.130 2.722 2.175 3.093 . 0 0 "[ . 1 . 2]" 1
2118 1 99 GLU H 1 99 GLU HB3 . . 3.750 3.017 2.581 3.550 . 0 0 "[ . 1 . 2]" 1
2119 1 99 GLU H 1 99 GLU HG2 . . 3.940 3.125 2.073 3.825 . 0 0 "[ . 1 . 2]" 1
2120 1 99 GLU H 1 99 GLU QG . . 3.400 2.264 1.907 3.211 . 0 0 "[ . 1 . 2]" 1
2121 1 99 GLU H 1 99 GLU HG3 . . 3.940 2.577 1.917 3.897 . 0 0 "[ . 1 . 2]" 1
2122 1 99 GLU H 1 100 GLN H . . 4.750 4.018 2.699 4.591 . 0 0 "[ . 1 . 2]" 1
2123 1 99 GLU HA 1 99 GLU QG . . 3.730 3.249 2.226 3.500 . 0 0 "[ . 1 . 2]" 1
2124 1 99 GLU HA 1 100 GLN H . . 3.020 2.464 2.176 2.943 . 0 0 "[ . 1 . 2]" 1
2125 1 99 GLU QB 1 100 GLN H . . 4.140 3.144 2.138 4.042 . 0 0 "[ . 1 . 2]" 1
2126 1 99 GLU QG 1 100 GLN H . . 5.340 4.026 3.547 4.649 . 0 0 "[ . 1 . 2]" 1
2127 1 100 GLN H 1 100 GLN QB . . 3.390 2.585 2.151 2.917 . 0 0 "[ . 1 . 2]" 1
2128 1 100 GLN HA 1 100 GLN QG . . 3.870 2.456 2.172 3.034 . 0 0 "[ . 1 . 2]" 1
2129 1 100 GLN QB 1 101 SER H . . 4.370 3.279 2.007 3.884 . 0 0 "[ . 1 . 2]" 1
2130 1 100 GLN QG 1 101 SER H . . 5.150 3.065 1.893 4.696 . 0 0 "[ . 1 . 2]" 1
2131 1 102 GLY H 1 103 PRO QD . . 5.090 3.224 1.956 4.373 . 0 0 "[ . 1 . 2]" 1
2132 1 102 GLY QA 1 103 PRO QD . . 2.910 2.011 1.896 2.331 . 0 0 "[ . 1 . 2]" 1
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