NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420000 |
2ee3   |
10271 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee3
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 2019
_Distance_constraint_stats_list.Viol_count 503
_Distance_constraint_stats_list.Viol_total 129.684
_Distance_constraint_stats_list.Viol_max 0.181
_Distance_constraint_stats_list.Viol_rms 0.0031
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0129
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.087 0.042 8 0 "[ . 1 . 2]"
1 9 ALA 0.012 0.012 16 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.007 0.004 16 0 "[ . 1 . 2]"
1 12 ARG 0.079 0.057 11 0 "[ . 1 . 2]"
1 13 HIS 0.003 0.003 10 0 "[ . 1 . 2]"
1 14 LEU 0.028 0.012 7 0 "[ . 1 . 2]"
1 15 GLY 0.017 0.012 7 0 "[ . 1 . 2]"
1 16 PHE 0.043 0.019 15 0 "[ . 1 . 2]"
1 17 SER 0.021 0.019 15 0 "[ . 1 . 2]"
1 18 ASP 0.005 0.005 15 0 "[ . 1 . 2]"
1 19 VAL 0.407 0.158 10 0 "[ . 1 . 2]"
1 20 SER 0.013 0.008 10 0 "[ . 1 . 2]"
1 21 HIS 0.075 0.018 10 0 "[ . 1 . 2]"
1 22 ASP 0.008 0.007 12 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 17 0 "[ . 1 . 2]"
1 24 ALA 0.114 0.046 18 0 "[ . 1 . 2]"
1 25 ARG 0.202 0.061 18 0 "[ . 1 . 2]"
1 26 VAL 0.084 0.031 18 0 "[ . 1 . 2]"
1 27 PHE 0.003 0.001 15 0 "[ . 1 . 2]"
1 28 TRP 0.047 0.013 11 0 "[ . 1 . 2]"
1 29 GLU 0.165 0.082 16 0 "[ . 1 . 2]"
1 30 GLY 0.158 0.082 16 0 "[ . 1 . 2]"
1 31 ALA 0.152 0.036 4 0 "[ . 1 . 2]"
1 32 PRO 0.086 0.025 13 0 "[ . 1 . 2]"
1 33 ARG 0.091 0.027 4 0 "[ . 1 . 2]"
1 34 PRO 0.156 0.043 13 0 "[ . 1 . 2]"
1 35 VAL 0.246 0.043 13 0 "[ . 1 . 2]"
1 36 ARG 0.033 0.014 4 0 "[ . 1 . 2]"
1 37 LEU 0.093 0.011 16 0 "[ . 1 . 2]"
1 38 VAL 0.046 0.010 20 0 "[ . 1 . 2]"
1 39 ARG 0.673 0.141 17 0 "[ . 1 . 2]"
1 40 VAL 0.641 0.141 17 0 "[ . 1 . 2]"
1 41 THR 0.074 0.011 17 0 "[ . 1 . 2]"
1 42 TYR 0.024 0.004 14 0 "[ . 1 . 2]"
1 43 VAL 0.034 0.018 12 0 "[ . 1 . 2]"
1 44 SER 0.058 0.018 12 0 "[ . 1 . 2]"
1 45 SER 0.003 0.002 20 0 "[ . 1 . 2]"
1 46 GLU 0.063 0.032 19 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 10 0 "[ . 1 . 2]"
1 48 GLY 0.001 0.001 20 0 "[ . 1 . 2]"
1 49 HIS 0.007 0.006 20 0 "[ . 1 . 2]"
1 50 SER 0.014 0.013 4 0 "[ . 1 . 2]"
1 51 GLY 0.014 0.009 19 0 "[ . 1 . 2]"
1 52 GLN 0.045 0.010 20 0 "[ . 1 . 2]"
1 53 THR 0.251 0.096 20 0 "[ . 1 . 2]"
1 54 GLU 0.816 0.142 20 0 "[ . 1 . 2]"
1 55 ALA 0.200 0.038 20 0 "[ . 1 . 2]"
1 56 PRO 0.026 0.009 20 0 "[ . 1 . 2]"
1 57 GLY 0.013 0.004 12 0 "[ . 1 . 2]"
1 58 ASN 0.001 0.001 4 0 "[ . 1 . 2]"
1 59 ALA 0.023 0.007 9 0 "[ . 1 . 2]"
1 60 THR 0.012 0.006 11 0 "[ . 1 . 2]"
1 61 SER 0.112 0.040 11 0 "[ . 1 . 2]"
1 62 ALA 0.236 0.078 18 0 "[ . 1 . 2]"
1 63 MET 0.390 0.169 18 0 "[ . 1 . 2]"
1 64 LEU 0.226 0.078 18 0 "[ . 1 . 2]"
1 65 GLY 0.030 0.026 18 0 "[ . 1 . 2]"
1 66 PRO 0.011 0.005 16 0 "[ . 1 . 2]"
1 67 LEU 0.032 0.007 12 0 "[ . 1 . 2]"
1 68 SER 0.077 0.020 11 0 "[ . 1 . 2]"
1 69 SER 0.194 0.020 11 0 "[ . 1 . 2]"
1 70 SER 0.086 0.019 12 0 "[ . 1 . 2]"
1 71 THR 0.058 0.011 13 0 "[ . 1 . 2]"
1 72 THR 0.036 0.028 6 0 "[ . 1 . 2]"
1 73 TYR 0.036 0.011 13 0 "[ . 1 . 2]"
1 74 THR 0.069 0.018 13 0 "[ . 1 . 2]"
1 75 VAL 0.040 0.016 13 0 "[ . 1 . 2]"
1 76 ARG 0.192 0.046 13 0 "[ . 1 . 2]"
1 77 VAL 0.045 0.020 4 0 "[ . 1 . 2]"
1 78 THR 0.166 0.041 16 0 "[ . 1 . 2]"
1 79 CYS 0.312 0.056 8 0 "[ . 1 . 2]"
1 80 LEU 0.295 0.043 8 0 "[ . 1 . 2]"
1 81 TYR 0.219 0.043 8 0 "[ . 1 . 2]"
1 82 PRO 0.032 0.014 4 0 "[ . 1 . 2]"
1 84 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.294 0.181 17 0 "[ . 1 . 2]"
1 86 SER 0.395 0.181 17 0 "[ . 1 . 2]"
1 87 SER 0.160 0.046 17 0 "[ . 1 . 2]"
1 88 THR 0.130 0.047 13 0 "[ . 1 . 2]"
1 89 LEU 0.145 0.047 13 0 "[ . 1 . 2]"
1 90 THR 0.298 0.136 19 0 "[ . 1 . 2]"
1 91 GLY 0.202 0.045 19 0 "[ . 1 . 2]"
1 92 ARG 0.228 0.045 19 0 "[ . 1 . 2]"
1 93 VAL 0.122 0.020 15 0 "[ . 1 . 2]"
1 94 THR 0.049 0.020 15 0 "[ . 1 . 2]"
1 95 THR 0.038 0.015 8 0 "[ . 1 . 2]"
1 96 LYS 0.584 0.158 10 0 "[ . 1 . 2]"
1 97 LYS 0.487 0.156 11 0 "[ . 1 . 2]"
1 98 ALA 0.208 0.156 11 0 "[ . 1 . 2]"
1 99 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 LEU QB . . 4.830 4.107 3.584 4.429 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 LEU QD . . 4.720 3.867 2.671 4.720 . 0 0 "[ . 1 . 2]" 1
3 1 8 LEU H 1 8 LEU QB . . 3.330 2.508 2.180 3.204 . 0 0 "[ . 1 . 2]" 1
4 1 8 LEU H 1 8 LEU QD . . 5.030 2.947 1.932 4.007 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU HG . . 4.890 3.622 1.978 4.775 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU HA 1 8 LEU QD . . 3.380 2.687 2.008 3.422 0.042 8 0 "[ . 1 . 2]" 1
7 1 8 LEU HA 1 9 ALA H . . 3.160 2.322 2.141 3.037 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU HA 1 9 ALA MB . . 4.620 4.017 3.820 4.632 0.012 16 0 "[ . 1 . 2]" 1
9 1 8 LEU QB 1 9 ALA H . . 4.450 3.236 2.247 3.981 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU QD 1 9 ALA H . . 4.730 3.476 1.967 4.480 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HG 1 9 ALA H . . 5.190 4.289 2.752 5.120 . 0 0 "[ . 1 . 2]" 1
12 1 9 ALA H 1 9 ALA MB . . 3.140 2.470 2.099 2.852 . 0 0 "[ . 1 . 2]" 1
13 1 9 ALA H 1 10 PRO QD . . 4.820 4.260 3.830 4.375 . 0 0 "[ . 1 . 2]" 1
14 1 9 ALA HA 1 10 PRO HD2 . . 3.030 2.233 1.996 2.538 . 0 0 "[ . 1 . 2]" 1
15 1 9 ALA HA 1 10 PRO HD3 . . 3.030 2.269 2.253 2.362 . 0 0 "[ . 1 . 2]" 1
16 1 9 ALA HA 1 10 PRO QG . . 4.430 3.906 3.787 4.092 . 0 0 "[ . 1 . 2]" 1
17 1 9 ALA MB 1 10 PRO HD2 . . 3.890 2.375 2.012 2.909 . 0 0 "[ . 1 . 2]" 1
18 1 9 ALA MB 1 10 PRO QD . . 3.170 2.336 1.987 2.827 . 0 0 "[ . 1 . 2]" 1
19 1 9 ALA MB 1 10 PRO HD3 . . 3.890 3.484 3.083 3.843 . 0 0 "[ . 1 . 2]" 1
20 1 9 ALA MB 1 10 PRO QG . . 4.540 3.795 3.461 4.231 . 0 0 "[ . 1 . 2]" 1
21 1 10 PRO QB 1 11 PRO QD . . 3.800 2.760 2.259 3.254 . 0 0 "[ . 1 . 2]" 1
22 1 11 PRO HA 1 12 ARG QG . . 4.410 4.168 3.839 4.401 . 0 0 "[ . 1 . 2]" 1
23 1 11 PRO HA 1 32 PRO HD3 . . 4.610 4.469 4.165 4.614 0.004 16 0 "[ . 1 . 2]" 1
24 1 11 PRO HA 1 32 PRO HG3 . . 4.500 4.278 3.929 4.497 . 0 0 "[ . 1 . 2]" 1
25 1 11 PRO QB 1 12 ARG H . . 3.780 2.934 2.801 3.247 . 0 0 "[ . 1 . 2]" 1
26 1 11 PRO QB 1 32 PRO HD3 . . 3.780 2.766 2.108 3.436 . 0 0 "[ . 1 . 2]" 1
27 1 11 PRO QD 1 89 LEU HG . . 5.030 3.184 2.606 3.706 . 0 0 "[ . 1 . 2]" 1
28 1 11 PRO QG 1 12 ARG H . . 4.400 2.027 1.891 2.412 . 0 0 "[ . 1 . 2]" 1
29 1 11 PRO QG 1 12 ARG HB2 . . 3.540 3.403 3.261 3.541 0.001 1 0 "[ . 1 . 2]" 1
30 1 11 PRO QG 1 12 ARG QG . . 4.650 3.943 3.062 4.612 . 0 0 "[ . 1 . 2]" 1
31 1 11 PRO QG 1 89 LEU MD1 . . 4.570 2.815 2.301 3.352 . 0 0 "[ . 1 . 2]" 1
32 1 11 PRO QG 1 89 LEU MD2 . . 4.660 2.755 2.303 3.438 . 0 0 "[ . 1 . 2]" 1
33 1 12 ARG H 1 12 ARG HB2 . . 3.560 2.774 2.608 2.899 . 0 0 "[ . 1 . 2]" 1
34 1 12 ARG H 1 12 ARG HB3 . . 4.100 3.805 3.693 3.921 . 0 0 "[ . 1 . 2]" 1
35 1 12 ARG H 1 12 ARG QD . . 4.560 4.397 4.197 4.617 0.057 11 0 "[ . 1 . 2]" 1
36 1 12 ARG H 1 12 ARG QG . . 4.090 3.427 2.764 3.852 . 0 0 "[ . 1 . 2]" 1
37 1 12 ARG H 1 89 LEU MD1 . . 4.680 3.366 3.173 3.601 . 0 0 "[ . 1 . 2]" 1
38 1 12 ARG H 1 89 LEU MD2 . . 4.700 2.491 2.145 2.954 . 0 0 "[ . 1 . 2]" 1
39 1 12 ARG HA 1 12 ARG QD . . 4.400 2.340 1.967 3.987 . 0 0 "[ . 1 . 2]" 1
40 1 12 ARG HA 1 12 ARG HG2 . . 3.990 2.798 2.579 2.938 . 0 0 "[ . 1 . 2]" 1
41 1 12 ARG HA 1 12 ARG QG . . 3.480 2.678 2.257 2.849 . 0 0 "[ . 1 . 2]" 1
42 1 12 ARG HA 1 12 ARG HG3 . . 3.990 3.574 2.380 3.839 . 0 0 "[ . 1 . 2]" 1
43 1 12 ARG HA 1 13 HIS H . . 3.320 2.614 2.558 2.652 . 0 0 "[ . 1 . 2]" 1
44 1 12 ARG HA 1 89 LEU MD2 . . 4.460 4.337 4.153 4.450 . 0 0 "[ . 1 . 2]" 1
45 1 12 ARG HB2 1 12 ARG QD . . 3.650 3.185 2.119 3.399 . 0 0 "[ . 1 . 2]" 1
46 1 12 ARG HB2 1 13 HIS H . . 4.270 3.397 3.059 3.563 . 0 0 "[ . 1 . 2]" 1
47 1 12 ARG HB2 1 89 LEU MD1 . . 3.990 2.919 2.365 3.328 . 0 0 "[ . 1 . 2]" 1
48 1 12 ARG HB2 1 89 LEU MD2 . . 4.100 3.492 2.933 3.850 . 0 0 "[ . 1 . 2]" 1
49 1 12 ARG HB3 1 12 ARG QD . . 3.400 2.353 2.130 2.718 . 0 0 "[ . 1 . 2]" 1
50 1 12 ARG HB3 1 13 HIS H . . 4.510 2.013 1.942 2.099 . 0 0 "[ . 1 . 2]" 1
51 1 12 ARG HB3 1 29 GLU QB . . 4.540 2.388 1.995 4.008 . 0 0 "[ . 1 . 2]" 1
52 1 12 ARG HB3 1 89 LEU MD1 . . 4.100 3.984 3.572 4.106 0.006 13 0 "[ . 1 . 2]" 1
53 1 12 ARG HB3 1 89 LEU MD2 . . 4.360 4.183 3.838 4.351 . 0 0 "[ . 1 . 2]" 1
54 1 12 ARG QD 1 13 HIS H . . 4.740 3.089 2.381 4.332 . 0 0 "[ . 1 . 2]" 1
55 1 12 ARG QD 1 29 GLU HB2 . . 4.580 2.577 2.002 4.184 . 0 0 "[ . 1 . 2]" 1
56 1 12 ARG QD 1 29 GLU HB3 . . 4.580 2.985 2.068 4.528 . 0 0 "[ . 1 . 2]" 1
57 1 12 ARG QD 1 29 GLU QG . . 4.630 3.418 2.033 4.622 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG QD 1 89 LEU MD1 . . 5.500 5.255 4.398 5.502 0.002 10 0 "[ . 1 . 2]" 1
59 1 12 ARG QD 1 89 LEU MD2 . . 5.500 5.343 5.065 5.471 . 0 0 "[ . 1 . 2]" 1
60 1 12 ARG QG 1 29 GLU H . . 5.280 4.187 3.765 4.944 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG QG 1 29 GLU QB . . 4.950 2.848 2.049 4.952 0.002 16 0 "[ . 1 . 2]" 1
62 1 13 HIS QB 1 14 LEU H . . 3.580 2.795 2.170 3.583 0.003 10 0 "[ . 1 . 2]" 1
63 1 13 HIS HB2 1 14 LEU H . . 4.130 3.738 2.747 4.103 . 0 0 "[ . 1 . 2]" 1
64 1 13 HIS HB3 1 14 LEU H . . 4.130 3.026 2.193 4.130 . 11 0 "[ . 1 . 2]" 1
65 1 13 HIS HD2 1 14 LEU H . . 4.890 3.936 2.084 4.857 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU H 1 14 LEU HB2 . . 3.740 2.253 2.179 2.355 . 0 0 "[ . 1 . 2]" 1
67 1 14 LEU H 1 14 LEU HB3 . . 3.740 3.513 3.475 3.578 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU H 1 14 LEU MD1 . . 4.500 3.901 3.696 4.132 . 0 0 "[ . 1 . 2]" 1
69 1 14 LEU H 1 14 LEU MD2 . . 4.560 4.121 3.997 4.294 . 0 0 "[ . 1 . 2]" 1
70 1 14 LEU H 1 14 LEU HG . . 3.540 3.301 3.094 3.489 . 0 0 "[ . 1 . 2]" 1
71 1 14 LEU H 1 15 GLY H . . 4.580 4.547 4.461 4.592 0.012 7 0 "[ . 1 . 2]" 1
72 1 14 LEU H 1 89 LEU MD2 . . 4.720 3.837 3.395 4.300 . 0 0 "[ . 1 . 2]" 1
73 1 14 LEU HA 1 14 LEU MD2 . . 3.380 2.086 1.972 2.456 . 0 0 "[ . 1 . 2]" 1
74 1 14 LEU HA 1 15 GLY H . . 2.970 2.432 2.288 2.589 . 0 0 "[ . 1 . 2]" 1
75 1 14 LEU HA 1 15 GLY QA . . 4.750 3.925 3.897 3.966 . 0 0 "[ . 1 . 2]" 1
76 1 14 LEU HA 1 26 VAL QG . . 4.510 4.353 3.973 4.513 0.003 18 0 "[ . 1 . 2]" 1
77 1 14 LEU HA 1 29 GLU H . . 4.560 4.228 3.771 4.539 . 0 0 "[ . 1 . 2]" 1
78 1 14 LEU HA 1 89 LEU MD1 . . 4.680 4.129 3.662 4.663 . 0 0 "[ . 1 . 2]" 1
79 1 14 LEU QB 1 14 LEU MD1 . . 2.920 2.066 1.980 2.097 . 0 0 "[ . 1 . 2]" 1
80 1 14 LEU QB 1 14 LEU MD2 . . 2.930 2.233 2.059 2.300 . 0 0 "[ . 1 . 2]" 1
81 1 14 LEU QB 1 16 PHE QE . . 4.600 3.464 2.773 3.923 . 0 0 "[ . 1 . 2]" 1
82 1 14 LEU QB 1 26 VAL QG . . 3.790 3.294 2.970 3.595 . 0 0 "[ . 1 . 2]" 1
83 1 14 LEU QB 1 91 GLY QA . . 4.480 3.065 2.636 3.514 . 0 0 "[ . 1 . 2]" 1
84 1 14 LEU HB2 1 14 LEU MD1 . . 3.480 2.253 2.060 2.371 . 0 0 "[ . 1 . 2]" 1
85 1 14 LEU HB2 1 14 LEU MD2 . . 3.570 3.184 3.148 3.193 . 0 0 "[ . 1 . 2]" 1
86 1 14 LEU HB2 1 15 GLY H . . 4.110 3.825 3.526 4.083 . 0 0 "[ . 1 . 2]" 1
87 1 14 LEU HB3 1 14 LEU MD1 . . 3.480 2.430 2.305 2.575 . 0 0 "[ . 1 . 2]" 1
88 1 14 LEU HB3 1 14 LEU MD2 . . 3.570 2.281 2.087 2.360 . 0 0 "[ . 1 . 2]" 1
89 1 14 LEU HB3 1 15 GLY H . . 4.110 2.431 2.050 2.810 . 0 0 "[ . 1 . 2]" 1
90 1 14 LEU MD1 1 16 PHE QE . . 3.950 3.648 3.015 3.941 . 0 0 "[ . 1 . 2]" 1
91 1 14 LEU MD1 1 16 PHE HZ . . 3.730 3.153 2.734 3.560 . 0 0 "[ . 1 . 2]" 1
92 1 14 LEU MD1 1 75 VAL H . . 5.150 5.006 4.693 5.148 . 0 0 "[ . 1 . 2]" 1
93 1 14 LEU MD1 1 75 VAL HB . . 3.920 3.638 3.035 3.877 . 0 0 "[ . 1 . 2]" 1
94 1 14 LEU MD1 1 75 VAL QG . . 3.550 3.348 3.063 3.542 . 0 0 "[ . 1 . 2]" 1
95 1 14 LEU MD1 1 76 ARG HA . . 4.530 3.907 3.546 4.377 . 0 0 "[ . 1 . 2]" 1
96 1 14 LEU MD1 1 90 THR H . . 4.090 3.527 3.121 3.923 . 0 0 "[ . 1 . 2]" 1
97 1 14 LEU MD1 1 90 THR HA . . 3.810 3.290 2.689 3.504 . 0 0 "[ . 1 . 2]" 1
98 1 14 LEU MD1 1 90 THR HB . . 5.070 4.729 4.395 5.039 . 0 0 "[ . 1 . 2]" 1
99 1 14 LEU MD1 1 91 GLY H . . 3.610 3.094 2.755 3.350 . 0 0 "[ . 1 . 2]" 1
100 1 14 LEU MD1 1 91 GLY QA . . 3.900 1.997 1.787 2.508 . 0 0 "[ . 1 . 2]" 1
101 1 14 LEU MD1 1 92 ARG H . . 4.870 4.518 3.838 4.855 . 0 0 "[ . 1 . 2]" 1
102 1 14 LEU MD2 1 15 GLY H . . 3.640 2.624 2.422 2.770 . 0 0 "[ . 1 . 2]" 1
103 1 14 LEU MD2 1 16 PHE QD . . 5.500 5.117 4.803 5.339 . 0 0 "[ . 1 . 2]" 1
104 1 14 LEU MD2 1 26 VAL QG . . 2.910 2.083 1.852 2.367 . 0 0 "[ . 1 . 2]" 1
105 1 14 LEU MD2 1 28 TRP H . . 4.580 4.160 3.847 4.469 . 0 0 "[ . 1 . 2]" 1
106 1 14 LEU MD2 1 28 TRP HA . . 4.200 2.900 2.615 3.262 . 0 0 "[ . 1 . 2]" 1
107 1 14 LEU MD2 1 28 TRP HB2 . . 3.940 3.531 3.304 3.792 . 0 0 "[ . 1 . 2]" 1
108 1 14 LEU MD2 1 28 TRP HB3 . . 3.700 2.108 1.934 2.381 . 0 0 "[ . 1 . 2]" 1
109 1 14 LEU MD2 1 28 TRP HD1 . . 5.500 5.294 5.014 5.501 0.001 16 0 "[ . 1 . 2]" 1
110 1 14 LEU MD2 1 28 TRP HE3 . . 3.860 2.574 2.223 2.914 . 0 0 "[ . 1 . 2]" 1
111 1 14 LEU MD2 1 29 GLU H . . 4.950 4.505 4.236 4.891 . 0 0 "[ . 1 . 2]" 1
112 1 14 LEU MD2 1 77 VAL MG1 . . 4.080 3.600 3.214 3.960 . 0 0 "[ . 1 . 2]" 1
113 1 14 LEU MD2 1 89 LEU MD2 . . 4.100 3.667 3.215 4.106 0.006 13 0 "[ . 1 . 2]" 1
114 1 14 LEU HG 1 15 GLY H . . 4.560 4.456 4.293 4.553 . 0 0 "[ . 1 . 2]" 1
115 1 14 LEU HG 1 26 VAL QG . . 5.160 4.465 4.221 4.725 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLY H 1 26 VAL QG . . 4.570 3.281 2.982 3.583 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLY H 1 27 PHE H . . 3.630 3.188 2.929 3.382 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLY H 1 27 PHE QB . . 5.340 5.049 4.778 5.341 0.001 15 0 "[ . 1 . 2]" 1
119 1 15 GLY H 1 27 PHE QD . . 4.750 4.334 4.065 4.609 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLY H 1 27 PHE QE . . 4.740 4.611 4.392 4.730 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLY H 1 28 TRP HA . . 4.030 3.601 3.302 3.918 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLY H 1 28 TRP HB3 . . 4.870 4.644 4.413 4.847 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLY QA 1 16 PHE H . . 2.730 2.139 2.109 2.226 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLY QA 1 16 PHE QD . . 4.580 3.734 3.128 4.022 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLY QA 1 27 PHE QE . . 3.960 2.958 2.682 3.312 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLY QA 1 27 PHE HZ . . 4.100 2.885 2.613 3.285 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLY HA2 1 16 PHE H . . 3.270 2.185 2.138 2.329 . 0 0 "[ . 1 . 2]" 1
128 1 15 GLY HA2 1 27 PHE HZ . . 4.770 4.201 3.872 4.771 0.001 16 0 "[ . 1 . 2]" 1
129 1 15 GLY HA3 1 16 PHE H . . 3.270 3.091 2.829 3.228 . 0 0 "[ . 1 . 2]" 1
130 1 15 GLY HA3 1 27 PHE HZ . . 4.770 2.940 2.655 3.347 . 0 0 "[ . 1 . 2]" 1
131 1 16 PHE H 1 16 PHE HB2 . . 3.330 2.604 2.518 2.783 . 0 0 "[ . 1 . 2]" 1
132 1 16 PHE H 1 16 PHE HB3 . . 4.200 3.750 3.693 3.861 . 0 0 "[ . 1 . 2]" 1
133 1 16 PHE H 1 16 PHE QD . . 3.290 2.977 2.248 3.269 . 0 0 "[ . 1 . 2]" 1
134 1 16 PHE H 1 17 SER H . . 4.570 4.313 4.138 4.511 . 0 0 "[ . 1 . 2]" 1
135 1 16 PHE H 1 19 VAL QG . . 5.440 4.856 4.678 5.459 0.019 15 0 "[ . 1 . 2]" 1
136 1 16 PHE H 1 27 PHE H . . 5.170 4.995 4.769 5.146 . 0 0 "[ . 1 . 2]" 1
137 1 16 PHE H 1 27 PHE QD . . 5.260 5.028 4.531 5.242 . 0 0 "[ . 1 . 2]" 1
138 1 16 PHE H 1 27 PHE HZ . . 4.670 4.488 3.966 4.670 0.000 1 0 "[ . 1 . 2]" 1
139 1 16 PHE HA 1 16 PHE QD . . 3.680 2.725 2.489 3.111 . 0 0 "[ . 1 . 2]" 1
140 1 16 PHE HA 1 17 SER H . . 2.910 2.149 2.139 2.235 . 0 0 "[ . 1 . 2]" 1
141 1 16 PHE HA 1 19 VAL QG . . 5.030 3.808 3.591 4.853 . 0 0 "[ . 1 . 2]" 1
142 1 16 PHE HA 1 24 ALA MB . . 5.460 5.108 4.991 5.248 . 0 0 "[ . 1 . 2]" 1
143 1 16 PHE HA 1 25 ARG H . . 5.070 4.937 4.726 5.073 0.003 12 0 "[ . 1 . 2]" 1
144 1 16 PHE HA 1 25 ARG HG2 . . 5.500 5.256 4.808 5.468 . 0 0 "[ . 1 . 2]" 1
145 1 16 PHE HA 1 26 VAL HA . . 3.620 2.778 2.503 2.958 . 0 0 "[ . 1 . 2]" 1
146 1 16 PHE HA 1 26 VAL HB . . 5.140 4.570 4.307 4.946 . 0 0 "[ . 1 . 2]" 1
147 1 16 PHE HA 1 26 VAL QG . . 4.530 4.081 3.851 4.269 . 0 0 "[ . 1 . 2]" 1
148 1 16 PHE HA 1 27 PHE H . . 3.770 3.487 3.157 3.639 . 0 0 "[ . 1 . 2]" 1
149 1 16 PHE HA 1 27 PHE QD . . 4.310 3.645 2.847 4.170 . 0 0 "[ . 1 . 2]" 1
150 1 16 PHE HB2 1 17 SER H . . 4.470 4.253 3.879 4.356 . 0 0 "[ . 1 . 2]" 1
151 1 16 PHE HB2 1 19 VAL MG1 . . 5.260 4.935 3.831 5.254 . 0 0 "[ . 1 . 2]" 1
152 1 16 PHE HB2 1 19 VAL QG . . 3.740 3.193 2.950 3.731 . 0 0 "[ . 1 . 2]" 1
153 1 16 PHE HB2 1 19 VAL MG2 . . 5.260 3.311 2.973 5.144 . 0 0 "[ . 1 . 2]" 1
154 1 16 PHE HB2 1 93 VAL MG2 . . 4.050 3.118 2.415 3.821 . 0 0 "[ . 1 . 2]" 1
155 1 16 PHE HB3 1 17 SER H . . 3.560 3.390 2.901 3.561 0.001 20 0 "[ . 1 . 2]" 1
156 1 16 PHE HB3 1 19 VAL QG . . 3.580 2.331 2.127 3.243 . 0 0 "[ . 1 . 2]" 1
157 1 16 PHE HB3 1 24 ALA MB . . 4.130 3.911 3.479 4.111 . 0 0 "[ . 1 . 2]" 1
158 1 16 PHE HB3 1 26 VAL HA . . 5.000 4.493 3.818 4.830 . 0 0 "[ . 1 . 2]" 1
159 1 16 PHE HB3 1 93 VAL MG1 . . 4.660 4.274 3.979 4.661 0.001 19 0 "[ . 1 . 2]" 1
160 1 16 PHE HB3 1 93 VAL MG2 . . 3.720 2.462 2.184 2.705 . 0 0 "[ . 1 . 2]" 1
161 1 16 PHE QD 1 17 SER H . . 4.710 4.123 3.873 4.377 . 0 0 "[ . 1 . 2]" 1
162 1 16 PHE QD 1 19 VAL QG . . 4.780 3.542 3.281 4.477 . 0 0 "[ . 1 . 2]" 1
163 1 16 PHE QD 1 24 ALA MB . . 3.590 3.350 2.760 3.548 . 0 0 "[ . 1 . 2]" 1
164 1 16 PHE QD 1 25 ARG H . . 4.820 4.570 4.240 4.749 . 0 0 "[ . 1 . 2]" 1
165 1 16 PHE QD 1 26 VAL HA . . 4.050 2.827 2.503 3.086 . 0 0 "[ . 1 . 2]" 1
166 1 16 PHE QD 1 26 VAL HB . . 3.860 2.850 2.683 3.039 . 0 0 "[ . 1 . 2]" 1
167 1 16 PHE QD 1 26 VAL MG1 . . 4.710 4.274 4.069 4.447 . 0 0 "[ . 1 . 2]" 1
168 1 16 PHE QD 1 26 VAL QG . . 3.760 3.386 3.106 3.642 . 0 0 "[ . 1 . 2]" 1
169 1 16 PHE QD 1 26 VAL MG2 . . 4.710 3.562 3.189 3.918 . 0 0 "[ . 1 . 2]" 1
170 1 16 PHE QD 1 27 PHE H . . 5.120 4.555 4.238 4.765 . 0 0 "[ . 1 . 2]" 1
171 1 16 PHE QD 1 64 LEU MD1 . . 4.390 4.167 3.634 4.393 0.003 18 0 "[ . 1 . 2]" 1
172 1 16 PHE QD 1 75 VAL QG . . 5.120 3.774 3.568 4.185 . 0 0 "[ . 1 . 2]" 1
173 1 16 PHE QD 1 92 ARG H . . 5.500 5.273 4.506 5.495 . 0 0 "[ . 1 . 2]" 1
174 1 16 PHE QD 1 93 VAL HA . . 4.810 4.134 3.825 4.429 . 0 0 "[ . 1 . 2]" 1
175 1 16 PHE QD 1 93 VAL HB . . 4.590 2.965 2.529 3.233 . 0 0 "[ . 1 . 2]" 1
176 1 16 PHE QD 1 93 VAL MG1 . . 3.940 3.268 2.995 3.624 . 0 0 "[ . 1 . 2]" 1
177 1 16 PHE QD 1 93 VAL MG2 . . 3.690 3.015 2.678 3.301 . 0 0 "[ . 1 . 2]" 1
178 1 16 PHE QE 1 24 ALA MB . . 4.350 4.214 3.854 4.345 . 0 0 "[ . 1 . 2]" 1
179 1 16 PHE QE 1 26 VAL HA . . 4.700 3.728 3.280 3.988 . 0 0 "[ . 1 . 2]" 1
180 1 16 PHE QE 1 26 VAL HB . . 3.510 2.214 1.999 2.465 . 0 0 "[ . 1 . 2]" 1
181 1 16 PHE QE 1 26 VAL MG1 . . 4.020 3.647 3.332 3.801 . 0 0 "[ . 1 . 2]" 1
182 1 16 PHE QE 1 26 VAL QG . . 3.340 2.557 2.053 3.044 . 0 0 "[ . 1 . 2]" 1
183 1 16 PHE QE 1 26 VAL MG2 . . 4.020 2.625 2.068 3.210 . 0 0 "[ . 1 . 2]" 1
184 1 16 PHE QE 1 27 PHE H . . 5.490 5.219 4.911 5.447 . 0 0 "[ . 1 . 2]" 1
185 1 16 PHE QE 1 64 LEU MD1 . . 3.790 3.343 2.841 3.595 . 0 0 "[ . 1 . 2]" 1
186 1 16 PHE QE 1 75 VAL MG1 . . 3.550 3.086 2.674 3.430 . 0 0 "[ . 1 . 2]" 1
187 1 16 PHE QE 1 75 VAL QG . . 3.040 2.146 1.910 2.597 . 0 0 "[ . 1 . 2]" 1
188 1 16 PHE QE 1 75 VAL MG2 . . 3.550 2.198 1.924 2.689 . 0 0 "[ . 1 . 2]" 1
189 1 16 PHE QE 1 91 GLY H . . 5.350 5.013 4.459 5.340 . 0 0 "[ . 1 . 2]" 1
190 1 16 PHE QE 1 91 GLY HA2 . . 4.560 3.610 3.227 4.495 . 0 0 "[ . 1 . 2]" 1
191 1 16 PHE QE 1 91 GLY QA . . 3.920 2.833 2.268 3.277 . 0 0 "[ . 1 . 2]" 1
192 1 16 PHE QE 1 91 GLY HA3 . . 4.560 2.971 2.317 3.400 . 0 0 "[ . 1 . 2]" 1
193 1 16 PHE QE 1 92 ARG H . . 3.510 3.232 2.565 3.521 0.011 13 0 "[ . 1 . 2]" 1
194 1 16 PHE QE 1 93 VAL HB . . 4.520 3.096 2.781 3.344 . 0 0 "[ . 1 . 2]" 1
195 1 16 PHE QE 1 93 VAL MG1 . . 3.610 2.711 2.165 3.037 . 0 0 "[ . 1 . 2]" 1
196 1 16 PHE QE 1 93 VAL MG2 . . 4.250 3.988 3.717 4.236 . 0 0 "[ . 1 . 2]" 1
197 1 16 PHE HZ 1 26 VAL MG1 . . 5.500 5.242 4.707 5.452 . 0 0 "[ . 1 . 2]" 1
198 1 16 PHE HZ 1 26 VAL QG . . 4.060 3.333 2.603 3.849 . 0 0 "[ . 1 . 2]" 1
199 1 16 PHE HZ 1 26 VAL MG2 . . 5.500 3.376 2.612 3.939 . 0 0 "[ . 1 . 2]" 1
200 1 16 PHE HZ 1 75 VAL H . . 4.520 3.814 3.485 4.230 . 0 0 "[ . 1 . 2]" 1
201 1 16 PHE HZ 1 75 VAL HB . . 3.500 2.584 2.280 2.852 . 0 0 "[ . 1 . 2]" 1
202 1 16 PHE HZ 1 75 VAL MG1 . . 4.130 3.799 3.490 4.011 . 0 0 "[ . 1 . 2]" 1
203 1 16 PHE HZ 1 75 VAL QG . . 3.350 2.995 2.441 3.251 . 0 0 "[ . 1 . 2]" 1
204 1 16 PHE HZ 1 75 VAL MG2 . . 4.130 3.150 2.466 3.551 . 0 0 "[ . 1 . 2]" 1
205 1 16 PHE HZ 1 91 GLY H . . 4.750 4.052 3.334 4.489 . 0 0 "[ . 1 . 2]" 1
206 1 16 PHE HZ 1 91 GLY HA2 . . 4.640 3.815 3.478 4.640 0.000 20 0 "[ . 1 . 2]" 1
207 1 16 PHE HZ 1 91 GLY QA . . 3.970 2.378 1.985 3.049 . 0 0 "[ . 1 . 2]" 1
208 1 16 PHE HZ 1 91 GLY HA3 . . 4.640 2.404 1.995 3.117 . 0 0 "[ . 1 . 2]" 1
209 1 16 PHE HZ 1 92 ARG H . . 4.160 3.859 2.957 4.164 0.004 13 0 "[ . 1 . 2]" 1
210 1 16 PHE HZ 1 93 VAL HB . . 4.800 3.635 3.197 3.943 . 0 0 "[ . 1 . 2]" 1
211 1 16 PHE HZ 1 93 VAL MG1 . . 4.260 3.542 2.928 3.939 . 0 0 "[ . 1 . 2]" 1
212 1 17 SER H 1 18 ASP H . . 4.760 4.435 4.401 4.474 . 0 0 "[ . 1 . 2]" 1
213 1 17 SER H 1 19 VAL QG . . 4.330 3.375 3.059 4.349 0.019 15 0 "[ . 1 . 2]" 1
214 1 17 SER H 1 25 ARG H . . 4.310 3.954 3.622 4.262 . 0 0 "[ . 1 . 2]" 1
215 1 17 SER H 1 25 ARG HB2 . . 5.050 4.679 4.049 5.031 . 0 0 "[ . 1 . 2]" 1
216 1 17 SER H 1 25 ARG HB3 . . 3.980 3.002 2.449 3.302 . 0 0 "[ . 1 . 2]" 1
217 1 17 SER H 1 25 ARG HG2 . . 4.530 4.271 3.889 4.525 . 0 0 "[ . 1 . 2]" 1
218 1 17 SER H 1 26 VAL HA . . 4.270 3.957 3.701 4.271 0.001 13 0 "[ . 1 . 2]" 1
219 1 17 SER H 1 27 PHE H . . 4.670 4.541 4.348 4.655 . 0 0 "[ . 1 . 2]" 1
220 1 17 SER H 1 27 PHE QD . . 4.150 3.293 2.958 3.529 . 0 0 "[ . 1 . 2]" 1
221 1 17 SER H 1 27 PHE QE . . 3.770 3.280 2.485 3.659 . 0 0 "[ . 1 . 2]" 1
222 1 17 SER QB 1 18 ASP H . . 3.560 2.969 2.111 3.494 . 0 0 "[ . 1 . 2]" 1
223 1 17 SER QB 1 19 VAL H . . 5.340 4.707 4.352 5.159 . 0 0 "[ . 1 . 2]" 1
224 1 17 SER QB 1 27 PHE QD . . 4.140 3.218 2.497 3.782 . 0 0 "[ . 1 . 2]" 1
225 1 17 SER QB 1 27 PHE QE . . 3.370 2.158 1.938 2.660 . 0 0 "[ . 1 . 2]" 1
226 1 17 SER QB 1 27 PHE HZ . . 5.340 3.917 3.170 4.662 . 0 0 "[ . 1 . 2]" 1
227 1 17 SER HB2 1 18 ASP H . . 4.190 3.622 2.166 3.990 . 0 0 "[ . 1 . 2]" 1
228 1 17 SER HB2 1 27 PHE QD . . 4.870 3.814 2.517 4.831 . 0 0 "[ . 1 . 2]" 1
229 1 17 SER HB2 1 27 PHE QE . . 4.000 2.450 2.004 3.891 . 0 0 "[ . 1 . 2]" 1
230 1 17 SER HB3 1 18 ASP H . . 4.190 3.365 2.126 3.860 . 0 0 "[ . 1 . 2]" 1
231 1 17 SER HB3 1 27 PHE QD . . 4.870 3.716 2.988 4.576 . 0 0 "[ . 1 . 2]" 1
232 1 17 SER HB3 1 27 PHE QE . . 4.000 3.009 2.169 3.930 . 0 0 "[ . 1 . 2]" 1
233 1 18 ASP H 1 19 VAL H . . 3.290 2.797 2.557 2.975 . 0 0 "[ . 1 . 2]" 1
234 1 18 ASP H 1 19 VAL QG . . 4.710 3.945 3.652 4.424 . 0 0 "[ . 1 . 2]" 1
235 1 18 ASP HA 1 19 VAL H . . 3.250 2.895 2.750 2.983 . 0 0 "[ . 1 . 2]" 1
236 1 18 ASP HA 1 19 VAL QG . . 4.610 4.416 3.924 4.523 . 0 0 "[ . 1 . 2]" 1
237 1 18 ASP QB 1 19 VAL H . . 3.880 3.806 3.748 3.876 . 0 0 "[ . 1 . 2]" 1
238 1 18 ASP QB 1 25 ARG H . . 4.330 3.942 3.599 4.335 0.005 15 0 "[ . 1 . 2]" 1
239 1 18 ASP QB 1 25 ARG HB2 . . 3.990 3.078 2.514 3.499 . 0 0 "[ . 1 . 2]" 1
240 1 18 ASP QB 1 25 ARG HB3 . . 4.000 3.123 2.894 3.290 . 0 0 "[ . 1 . 2]" 1
241 1 18 ASP QB 1 25 ARG QD . . 4.360 3.196 2.411 3.900 . 0 0 "[ . 1 . 2]" 1
242 1 18 ASP QB 1 63 MET ME . . 4.200 3.587 3.001 4.047 . 0 0 "[ . 1 . 2]" 1
243 1 19 VAL H 1 19 VAL HB . . 3.000 2.553 2.372 2.938 . 0 0 "[ . 1 . 2]" 1
244 1 19 VAL H 1 19 VAL MG1 . . 3.820 3.600 1.798 3.774 . 0 0 "[ . 1 . 2]" 1
245 1 19 VAL H 1 19 VAL QG . . 2.690 2.209 1.794 2.385 . 0 0 "[ . 1 . 2]" 1
246 1 19 VAL H 1 19 VAL MG2 . . 3.820 2.385 2.056 3.727 . 0 0 "[ . 1 . 2]" 1
247 1 19 VAL H 1 20 SER H . . 4.790 4.588 4.504 4.631 . 0 0 "[ . 1 . 2]" 1
248 1 19 VAL H 1 24 ALA HA . . 4.850 4.757 4.563 4.850 . 0 0 "[ . 1 . 2]" 1
249 1 19 VAL H 1 24 ALA MB . . 5.270 5.128 4.885 5.269 . 0 0 "[ . 1 . 2]" 1
250 1 19 VAL H 1 25 ARG H . . 4.860 4.407 3.995 4.645 . 0 0 "[ . 1 . 2]" 1
251 1 19 VAL H 1 93 VAL MG2 . . 5.480 5.226 4.952 5.437 . 0 0 "[ . 1 . 2]" 1
252 1 19 VAL H 1 96 LYS QE . . 4.740 3.810 3.115 4.200 . 0 0 "[ . 1 . 2]" 1
253 1 19 VAL HA 1 19 VAL MG1 . . 3.190 2.399 2.262 3.180 . 0 0 "[ . 1 . 2]" 1
254 1 19 VAL HA 1 19 VAL MG2 . . 3.190 2.333 2.188 2.606 . 0 0 "[ . 1 . 2]" 1
255 1 19 VAL HA 1 20 SER H . . 2.670 2.195 2.143 2.262 . 0 0 "[ . 1 . 2]" 1
256 1 19 VAL HA 1 23 ALA H . . 5.500 5.450 5.316 5.500 . 17 0 "[ . 1 . 2]" 1
257 1 19 VAL HA 1 24 ALA H . . 5.260 4.861 4.561 5.019 . 0 0 "[ . 1 . 2]" 1
258 1 19 VAL HA 1 24 ALA HA . . 3.440 2.136 1.996 2.229 . 0 0 "[ . 1 . 2]" 1
259 1 19 VAL HA 1 24 ALA MB . . 3.510 3.142 2.734 3.482 . 0 0 "[ . 1 . 2]" 1
260 1 19 VAL HA 1 25 ARG H . . 3.710 2.903 2.495 3.121 . 0 0 "[ . 1 . 2]" 1
261 1 19 VAL HA 1 63 MET ME . . 5.050 4.872 4.353 5.053 0.003 18 0 "[ . 1 . 2]" 1
262 1 19 VAL HA 1 93 VAL MG2 . . 4.950 4.366 4.151 4.603 . 0 0 "[ . 1 . 2]" 1
263 1 19 VAL HB 1 20 SER H . . 4.690 4.034 3.825 4.241 . 0 0 "[ . 1 . 2]" 1
264 1 19 VAL HB 1 24 ALA HA . . 5.310 4.713 3.027 5.057 . 0 0 "[ . 1 . 2]" 1
265 1 19 VAL HB 1 24 ALA MB . . 4.560 4.363 2.880 4.558 . 0 0 "[ . 1 . 2]" 1
266 1 19 VAL HB 1 93 VAL MG2 . . 4.640 3.930 2.600 4.218 . 0 0 "[ . 1 . 2]" 1
267 1 19 VAL HB 1 96 LYS QE . . 3.600 2.761 2.266 3.758 0.158 10 0 "[ . 1 . 2]" 1
268 1 19 VAL QG 1 20 SER H . . 3.160 2.259 1.870 2.563 . 0 0 "[ . 1 . 2]" 1
269 1 19 VAL QG 1 20 SER HA . . 4.140 3.565 3.164 3.768 . 0 0 "[ . 1 . 2]" 1
270 1 19 VAL QG 1 24 ALA HA . . 3.770 2.649 1.932 3.020 . 0 0 "[ . 1 . 2]" 1
271 1 19 VAL QG 1 25 ARG H . . 4.100 3.009 2.492 3.994 . 0 0 "[ . 1 . 2]" 1
272 1 19 VAL QG 1 67 LEU QD . . 4.610 3.905 3.436 4.244 . 0 0 "[ . 1 . 2]" 1
273 1 19 VAL QG 1 93 VAL HA . . 4.820 4.374 4.083 4.595 . 0 0 "[ . 1 . 2]" 1
274 1 19 VAL QG 1 93 VAL HB . . 4.960 3.894 3.663 4.422 . 0 0 "[ . 1 . 2]" 1
275 1 19 VAL QG 1 93 VAL MG1 . . 4.360 3.430 3.148 3.859 . 0 0 "[ . 1 . 2]" 1
276 1 19 VAL QG 1 93 VAL MG2 . . 2.790 1.930 1.729 2.270 . 0 0 "[ . 1 . 2]" 1
277 1 19 VAL QG 1 94 THR H . . 5.300 4.102 3.597 4.633 . 0 0 "[ . 1 . 2]" 1
278 1 19 VAL QG 1 95 THR HA . . 3.290 2.408 2.080 2.663 . 0 0 "[ . 1 . 2]" 1
279 1 19 VAL QG 1 96 LYS H . . 3.260 2.740 2.441 2.962 . 0 0 "[ . 1 . 2]" 1
280 1 19 VAL QG 1 96 LYS HA . . 4.410 4.254 3.919 4.392 . 0 0 "[ . 1 . 2]" 1
281 1 19 VAL QG 1 96 LYS QB . . 4.180 3.936 3.534 4.102 . 0 0 "[ . 1 . 2]" 1
282 1 19 VAL QG 1 96 LYS QD . . 4.070 3.815 2.756 4.068 . 0 0 "[ . 1 . 2]" 1
283 1 19 VAL QG 1 96 LYS QE . . 3.300 2.966 1.644 3.302 0.002 6 0 "[ . 1 . 2]" 1
284 1 19 VAL QG 1 96 LYS QG . . 3.350 2.300 1.820 2.531 . 0 0 "[ . 1 . 2]" 1
285 1 19 VAL MG1 1 20 SER H . . 4.400 2.436 1.874 4.177 . 0 0 "[ . 1 . 2]" 1
286 1 19 VAL MG1 1 24 ALA HA . . 4.380 3.028 2.593 4.399 0.019 10 0 "[ . 1 . 2]" 1
287 1 19 VAL MG1 1 25 ARG H . . 4.670 4.278 3.922 4.679 0.009 15 0 "[ . 1 . 2]" 1
288 1 19 VAL MG1 1 93 VAL HA . . 5.500 4.996 4.658 5.516 0.016 10 0 "[ . 1 . 2]" 1
289 1 19 VAL MG1 1 93 VAL MG2 . . 3.280 2.316 2.047 3.131 . 0 0 "[ . 1 . 2]" 1
290 1 19 VAL MG1 1 96 LYS QE . . 4.210 3.080 1.646 3.460 . 0 0 "[ . 1 . 2]" 1
291 1 19 VAL MG2 1 20 SER H . . 4.400 3.776 1.882 4.071 . 0 0 "[ . 1 . 2]" 1
292 1 19 VAL MG2 1 24 ALA HA . . 4.380 3.092 1.935 3.343 . 0 0 "[ . 1 . 2]" 1
293 1 19 VAL MG2 1 25 ARG H . . 4.670 3.090 2.519 4.458 . 0 0 "[ . 1 . 2]" 1
294 1 19 VAL MG2 1 93 VAL HA . . 5.500 4.840 4.494 5.052 . 0 0 "[ . 1 . 2]" 1
295 1 19 VAL MG2 1 93 VAL MG2 . . 3.280 2.090 1.821 2.330 . 0 0 "[ . 1 . 2]" 1
296 1 19 VAL MG2 1 96 LYS QE . . 4.210 3.956 1.929 4.192 . 0 0 "[ . 1 . 2]" 1
297 1 20 SER H 1 20 SER QB . . 3.410 2.546 2.419 2.708 . 0 0 "[ . 1 . 2]" 1
298 1 20 SER H 1 21 HIS H . . 4.810 4.415 4.378 4.448 . 0 0 "[ . 1 . 2]" 1
299 1 20 SER H 1 22 ASP H . . 4.860 4.421 4.133 4.725 . 0 0 "[ . 1 . 2]" 1
300 1 20 SER H 1 23 ALA H . . 3.550 3.456 3.303 3.535 . 0 0 "[ . 1 . 2]" 1
301 1 20 SER H 1 23 ALA MB . . 4.340 3.790 3.515 4.145 . 0 0 "[ . 1 . 2]" 1
302 1 20 SER H 1 24 ALA HA . . 3.510 2.781 2.633 2.857 . 0 0 "[ . 1 . 2]" 1
303 1 20 SER H 1 24 ALA MB . . 3.680 3.426 3.183 3.565 . 0 0 "[ . 1 . 2]" 1
304 1 20 SER H 1 25 ARG H . . 4.560 4.492 4.320 4.568 0.008 10 0 "[ . 1 . 2]" 1
305 1 20 SER H 1 93 VAL MG2 . . 5.500 5.043 4.733 5.326 . 0 0 "[ . 1 . 2]" 1
306 1 20 SER HA 1 22 ASP H . . 4.570 4.161 3.979 4.362 . 0 0 "[ . 1 . 2]" 1
307 1 20 SER HA 1 23 ALA H . . 4.730 4.626 4.406 4.725 . 0 0 "[ . 1 . 2]" 1
308 1 20 SER HA 1 96 LYS H . . 4.160 3.836 3.589 4.048 . 0 0 "[ . 1 . 2]" 1
309 1 20 SER HA 1 96 LYS QB . . 4.670 3.038 2.718 3.335 . 0 0 "[ . 1 . 2]" 1
310 1 20 SER HA 1 96 LYS QD . . 3.720 2.501 2.235 2.883 . 0 0 "[ . 1 . 2]" 1
311 1 20 SER HA 1 96 LYS QE . . 4.070 3.774 3.566 4.071 0.001 11 0 "[ . 1 . 2]" 1
312 1 20 SER HA 1 96 LYS HG2 . . 4.150 4.003 3.706 4.152 0.002 6 0 "[ . 1 . 2]" 1
313 1 20 SER HA 1 96 LYS HG3 . . 4.150 2.305 2.025 2.493 . 0 0 "[ . 1 . 2]" 1
314 1 20 SER QB 1 21 HIS H . . 3.070 2.235 1.918 2.818 . 0 0 "[ . 1 . 2]" 1
315 1 20 SER QB 1 22 ASP H . . 3.580 2.312 2.157 2.476 . 0 0 "[ . 1 . 2]" 1
316 1 20 SER QB 1 23 ALA H . . 3.540 2.597 2.322 2.845 . 0 0 "[ . 1 . 2]" 1
317 1 20 SER HB2 1 21 HIS H . . 3.750 3.456 3.114 3.749 . 0 0 "[ . 1 . 2]" 1
318 1 20 SER HB2 1 22 ASP H . . 4.110 3.202 2.610 4.005 . 0 0 "[ . 1 . 2]" 1
319 1 20 SER HB2 1 23 ALA H . . 4.050 3.141 2.509 4.047 . 0 0 "[ . 1 . 2]" 1
320 1 20 SER HB2 1 23 ALA MB . . 4.350 2.773 2.112 3.356 . 0 0 "[ . 1 . 2]" 1
321 1 20 SER HB3 1 21 HIS H . . 3.750 2.271 1.929 2.925 . 0 0 "[ . 1 . 2]" 1
322 1 20 SER HB3 1 22 ASP H . . 4.110 2.436 2.195 2.737 . 0 0 "[ . 1 . 2]" 1
323 1 20 SER HB3 1 23 ALA H . . 4.050 3.234 2.341 3.881 . 0 0 "[ . 1 . 2]" 1
324 1 20 SER HB3 1 23 ALA MB . . 4.350 3.469 2.601 4.349 . 0 0 "[ . 1 . 2]" 1
325 1 21 HIS H 1 21 HIS HB2 . . 4.200 3.590 3.509 3.643 . 0 0 "[ . 1 . 2]" 1
326 1 21 HIS H 1 21 HIS HB3 . . 3.970 2.871 2.677 3.089 . 0 0 "[ . 1 . 2]" 1
327 1 21 HIS H 1 22 ASP H . . 3.350 2.392 2.311 2.528 . 0 0 "[ . 1 . 2]" 1
328 1 21 HIS H 1 23 ALA H . . 4.020 3.898 3.752 4.013 . 0 0 "[ . 1 . 2]" 1
329 1 21 HIS H 1 96 LYS QB . . 5.130 2.841 2.488 3.251 . 0 0 "[ . 1 . 2]" 1
330 1 21 HIS H 1 96 LYS QG . . 5.340 3.715 3.403 3.893 . 0 0 "[ . 1 . 2]" 1
331 1 21 HIS HA 1 69 SER H . . 5.500 5.426 5.191 5.518 0.018 10 0 "[ . 1 . 2]" 1
332 1 21 HIS HA 1 69 SER HB2 . . 4.770 4.231 3.856 4.773 0.003 12 0 "[ . 1 . 2]" 1
333 1 21 HIS HA 1 69 SER QB . . 4.140 3.386 3.157 3.655 . 0 0 "[ . 1 . 2]" 1
334 1 21 HIS HA 1 69 SER HB3 . . 4.770 3.592 3.204 3.926 . 0 0 "[ . 1 . 2]" 1
335 1 21 HIS HA 1 95 THR HA . . 4.140 3.943 3.702 4.062 . 0 0 "[ . 1 . 2]" 1
336 1 21 HIS HA 1 96 LYS H . . 3.360 2.436 2.114 2.896 . 0 0 "[ . 1 . 2]" 1
337 1 21 HIS HA 1 96 LYS HB2 . . 4.900 2.876 2.531 3.443 . 0 0 "[ . 1 . 2]" 1
338 1 21 HIS HA 1 96 LYS QB . . 4.270 2.838 2.504 3.379 . 0 0 "[ . 1 . 2]" 1
339 1 21 HIS HA 1 96 LYS HB3 . . 4.900 4.360 3.997 4.909 0.009 11 0 "[ . 1 . 2]" 1
340 1 21 HIS HA 1 96 LYS HG2 . . 5.110 4.844 4.513 5.079 . 0 0 "[ . 1 . 2]" 1
341 1 21 HIS HA 1 96 LYS QG . . 4.460 3.787 3.485 4.082 . 0 0 "[ . 1 . 2]" 1
342 1 21 HIS HA 1 96 LYS HG3 . . 5.110 3.955 3.610 4.302 . 0 0 "[ . 1 . 2]" 1
343 1 21 HIS HA 1 98 ALA HA . . 5.450 5.079 4.921 5.309 . 0 0 "[ . 1 . 2]" 1
344 1 21 HIS HB2 1 21 HIS HD2 . . 3.750 2.810 2.729 2.908 . 0 0 "[ . 1 . 2]" 1
345 1 21 HIS HB2 1 22 ASP H . . 4.790 4.073 3.817 4.301 . 0 0 "[ . 1 . 2]" 1
346 1 21 HIS HB2 1 69 SER H . . 4.940 4.856 4.609 4.946 0.006 12 0 "[ . 1 . 2]" 1
347 1 21 HIS HB2 1 69 SER HA . . 4.490 3.199 2.789 3.461 . 0 0 "[ . 1 . 2]" 1
348 1 21 HIS HB2 1 69 SER HB2 . . 3.950 3.023 2.640 3.579 . 0 0 "[ . 1 . 2]" 1
349 1 21 HIS HB2 1 69 SER HB3 . . 3.950 2.033 1.995 2.153 . 0 0 "[ . 1 . 2]" 1
350 1 21 HIS HB2 1 70 SER H . . 4.670 4.429 4.026 4.673 0.003 13 0 "[ . 1 . 2]" 1
351 1 21 HIS HB2 1 96 LYS H . . 5.140 4.785 4.528 5.107 . 0 0 "[ . 1 . 2]" 1
352 1 21 HIS HB2 1 97 LYS H . . 5.500 5.024 4.692 5.477 . 0 0 "[ . 1 . 2]" 1
353 1 21 HIS HB2 1 97 LYS HA . . 4.970 4.018 3.735 4.449 . 0 0 "[ . 1 . 2]" 1
354 1 21 HIS HB2 1 98 ALA H . . 4.010 3.450 3.073 4.017 0.007 11 0 "[ . 1 . 2]" 1
355 1 21 HIS HB2 1 98 ALA HA . . 3.650 2.773 2.505 3.264 . 0 0 "[ . 1 . 2]" 1
356 1 21 HIS HB2 1 98 ALA MB . . 3.710 2.678 2.144 3.093 . 0 0 "[ . 1 . 2]" 1
357 1 21 HIS HB2 1 99 PRO QD . . 4.410 3.998 3.592 4.397 . 0 0 "[ . 1 . 2]" 1
358 1 21 HIS HB3 1 22 ASP H . . 4.840 4.339 4.171 4.462 . 0 0 "[ . 1 . 2]" 1
359 1 21 HIS HB3 1 69 SER HA . . 4.970 4.008 3.587 4.284 . 0 0 "[ . 1 . 2]" 1
360 1 21 HIS HB3 1 69 SER HB2 . . 4.350 3.861 3.532 4.352 0.002 12 0 "[ . 1 . 2]" 1
361 1 21 HIS HB3 1 69 SER HB3 . . 4.350 3.406 2.461 3.715 . 0 0 "[ . 1 . 2]" 1
362 1 21 HIS HB3 1 70 SER H . . 4.870 4.510 4.017 4.839 . 0 0 "[ . 1 . 2]" 1
363 1 21 HIS HB3 1 96 LYS H . . 4.230 3.952 3.754 4.216 . 0 0 "[ . 1 . 2]" 1
364 1 21 HIS HB3 1 96 LYS HB2 . . 4.750 2.471 2.217 2.847 . 0 0 "[ . 1 . 2]" 1
365 1 21 HIS HB3 1 96 LYS QB . . 4.010 2.427 2.183 2.802 . 0 0 "[ . 1 . 2]" 1
366 1 21 HIS HB3 1 96 LYS HB3 . . 4.750 3.567 3.177 4.178 . 0 0 "[ . 1 . 2]" 1
367 1 21 HIS HB3 1 97 LYS H . . 5.090 3.749 3.412 4.180 . 0 0 "[ . 1 . 2]" 1
368 1 21 HIS HB3 1 98 ALA H . . 4.380 3.891 3.395 4.390 0.010 11 0 "[ . 1 . 2]" 1
369 1 21 HIS HB3 1 98 ALA HA . . 3.640 3.081 2.881 3.284 . 0 0 "[ . 1 . 2]" 1
370 1 21 HIS HB3 1 98 ALA MB . . 4.200 3.815 3.385 4.172 . 0 0 "[ . 1 . 2]" 1
371 1 21 HIS HB3 1 99 PRO QD . . 4.470 4.111 3.830 4.361 . 0 0 "[ . 1 . 2]" 1
372 1 21 HIS HD2 1 22 ASP H . . 4.710 3.869 3.357 4.635 . 0 0 "[ . 1 . 2]" 1
373 1 21 HIS HD2 1 22 ASP QB . . 3.780 2.800 2.066 3.597 . 0 0 "[ . 1 . 2]" 1
374 1 21 HIS HD2 1 69 SER QB . . 4.460 3.828 3.210 4.455 . 0 0 "[ . 1 . 2]" 1
375 1 21 HIS HD2 1 98 ALA HA . . 4.280 3.290 2.698 3.922 . 0 0 "[ . 1 . 2]" 1
376 1 21 HIS HD2 1 98 ALA MB . . 3.770 2.807 2.191 3.611 . 0 0 "[ . 1 . 2]" 1
377 1 21 HIS HD2 1 99 PRO QD . . 4.030 3.141 2.427 3.999 . 0 0 "[ . 1 . 2]" 1
378 1 21 HIS HE1 1 99 PRO QD . . 4.520 3.167 2.700 3.495 . 0 0 "[ . 1 . 2]" 1
379 1 21 HIS HE1 1 99 PRO QG . . 4.170 3.691 2.953 4.073 . 0 0 "[ . 1 . 2]" 1
380 1 22 ASP H 1 22 ASP HB2 . . 4.060 3.443 2.558 3.885 . 0 0 "[ . 1 . 2]" 1
381 1 22 ASP H 1 22 ASP HB3 . . 4.060 3.222 2.832 3.732 . 0 0 "[ . 1 . 2]" 1
382 1 22 ASP H 1 23 ALA MB . . 4.040 3.662 3.563 3.775 . 0 0 "[ . 1 . 2]" 1
383 1 22 ASP H 1 67 LEU QD . . 5.440 5.254 5.045 5.441 0.001 10 0 "[ . 1 . 2]" 1
384 1 22 ASP H 1 95 THR MG . . 4.830 4.319 3.968 4.660 . 0 0 "[ . 1 . 2]" 1
385 1 22 ASP QB 1 23 ALA H . . 4.020 3.843 3.490 4.004 . 0 0 "[ . 1 . 2]" 1
386 1 22 ASP QB 1 66 PRO HA . . 4.670 3.842 3.283 4.384 . 0 0 "[ . 1 . 2]" 1
387 1 22 ASP QB 1 66 PRO QB . . 4.220 3.522 3.010 4.177 . 0 0 "[ . 1 . 2]" 1
388 1 22 ASP QB 1 67 LEU H . . 4.060 3.573 3.123 4.067 0.007 12 0 "[ . 1 . 2]" 1
389 1 22 ASP HB2 1 23 ALA H . . 4.610 4.324 3.762 4.580 . 0 0 "[ . 1 . 2]" 1
390 1 22 ASP HB3 1 23 ALA H . . 4.610 4.335 3.771 4.576 . 0 0 "[ . 1 . 2]" 1
391 1 23 ALA H 1 23 ALA MB . . 3.160 2.837 2.753 2.869 . 0 0 "[ . 1 . 2]" 1
392 1 23 ALA H 1 24 ALA H . . 4.600 4.346 4.317 4.378 . 0 0 "[ . 1 . 2]" 1
393 1 23 ALA H 1 24 ALA HA . . 5.080 4.821 4.714 4.869 . 0 0 "[ . 1 . 2]" 1
394 1 23 ALA H 1 24 ALA MB . . 4.850 4.271 4.155 4.429 . 0 0 "[ . 1 . 2]" 1
395 1 23 ALA H 1 67 LEU H . . 4.670 3.995 3.858 4.201 . 0 0 "[ . 1 . 2]" 1
396 1 23 ALA H 1 67 LEU QB . . 4.620 3.268 3.025 3.594 . 0 0 "[ . 1 . 2]" 1
397 1 23 ALA H 1 67 LEU QD . . 3.910 3.639 3.360 3.905 . 0 0 "[ . 1 . 2]" 1
398 1 23 ALA H 1 95 THR MG . . 3.630 3.182 2.900 3.502 . 0 0 "[ . 1 . 2]" 1
399 1 23 ALA MB 1 24 ALA H . . 2.920 2.384 2.266 2.597 . 0 0 "[ . 1 . 2]" 1
400 1 23 ALA MB 1 24 ALA HA . . 4.200 3.780 3.695 3.838 . 0 0 "[ . 1 . 2]" 1
401 1 23 ALA MB 1 63 MET QB . . 4.080 3.904 3.558 4.072 . 0 0 "[ . 1 . 2]" 1
402 1 23 ALA MB 1 63 MET ME . . 2.930 2.618 2.105 2.861 . 0 0 "[ . 1 . 2]" 1
403 1 23 ALA MB 1 63 MET QG . . 5.340 4.941 3.864 5.174 . 0 0 "[ . 1 . 2]" 1
404 1 23 ALA MB 1 64 LEU H . . 4.310 3.733 3.391 3.952 . 0 0 "[ . 1 . 2]" 1
405 1 23 ALA MB 1 65 GLY HA2 . . 4.440 4.100 3.581 4.415 . 0 0 "[ . 1 . 2]" 1
406 1 23 ALA MB 1 65 GLY QA . . 3.820 2.853 2.319 3.215 . 0 0 "[ . 1 . 2]" 1
407 1 23 ALA MB 1 65 GLY HA3 . . 4.440 2.912 2.349 3.303 . 0 0 "[ . 1 . 2]" 1
408 1 23 ALA MB 1 66 PRO HA . . 4.400 3.585 3.304 3.852 . 0 0 "[ . 1 . 2]" 1
409 1 23 ALA MB 1 66 PRO QB . . 5.340 4.761 4.486 4.964 . 0 0 "[ . 1 . 2]" 1
410 1 23 ALA MB 1 67 LEU H . . 4.410 3.663 3.182 4.023 . 0 0 "[ . 1 . 2]" 1
411 1 23 ALA MB 1 67 LEU QD . . 3.950 3.535 3.369 3.708 . 0 0 "[ . 1 . 2]" 1
412 1 23 ALA MB 1 95 THR MG . . 5.130 4.721 4.474 4.963 . 0 0 "[ . 1 . 2]" 1
413 1 24 ALA H 1 24 ALA MB . . 3.590 2.763 2.648 2.831 . 0 0 "[ . 1 . 2]" 1
414 1 24 ALA H 1 25 ARG H . . 4.390 4.089 3.986 4.183 . 0 0 "[ . 1 . 2]" 1
415 1 24 ALA H 1 63 MET HA . . 4.880 4.602 4.265 4.861 . 0 0 "[ . 1 . 2]" 1
416 1 24 ALA H 1 63 MET ME . . 3.830 3.553 2.824 3.825 . 0 0 "[ . 1 . 2]" 1
417 1 24 ALA H 1 64 LEU H . . 3.500 2.750 2.470 3.006 . 0 0 "[ . 1 . 2]" 1
418 1 24 ALA H 1 64 LEU HB2 . . 3.660 3.131 2.380 3.309 . 0 0 "[ . 1 . 2]" 1
419 1 24 ALA H 1 64 LEU HB3 . . 4.810 4.670 3.971 4.844 0.034 18 0 "[ . 1 . 2]" 1
420 1 24 ALA H 1 64 LEU MD1 . . 4.680 4.405 4.131 4.622 . 0 0 "[ . 1 . 2]" 1
421 1 24 ALA H 1 64 LEU HG . . 4.830 4.620 3.993 4.828 . 0 0 "[ . 1 . 2]" 1
422 1 24 ALA H 1 65 GLY QA . . 4.820 4.055 3.866 4.173 . 0 0 "[ . 1 . 2]" 1
423 1 24 ALA H 1 67 LEU MD1 . . 4.600 2.555 2.194 2.895 . 0 0 "[ . 1 . 2]" 1
424 1 24 ALA H 1 67 LEU QD . . 3.400 2.539 2.188 2.866 . 0 0 "[ . 1 . 2]" 1
425 1 24 ALA H 1 67 LEU MD2 . . 4.600 4.449 4.264 4.601 0.001 13 0 "[ . 1 . 2]" 1
426 1 24 ALA H 1 67 LEU HG . . 3.830 3.603 3.384 3.833 0.003 15 0 "[ . 1 . 2]" 1
427 1 24 ALA HA 1 25 ARG H . . 2.860 2.153 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
428 1 24 ALA HA 1 63 MET ME . . 4.480 4.093 3.371 4.453 . 0 0 "[ . 1 . 2]" 1
429 1 24 ALA HA 1 67 LEU QD . . 4.370 3.802 3.624 4.041 . 0 0 "[ . 1 . 2]" 1
430 1 24 ALA MB 1 25 ARG H . . 3.170 3.138 3.053 3.216 0.046 18 0 "[ . 1 . 2]" 1
431 1 24 ALA MB 1 63 MET ME . . 5.370 4.763 3.968 5.083 . 0 0 "[ . 1 . 2]" 1
432 1 24 ALA MB 1 64 LEU H . . 4.710 4.212 3.711 4.520 . 0 0 "[ . 1 . 2]" 1
433 1 24 ALA MB 1 64 LEU HB2 . . 4.380 3.191 2.536 3.716 . 0 0 "[ . 1 . 2]" 1
434 1 24 ALA MB 1 64 LEU HB3 . . 5.250 4.583 3.987 5.184 . 0 0 "[ . 1 . 2]" 1
435 1 24 ALA MB 1 67 LEU MD1 . . 4.730 1.953 1.837 2.199 . 0 0 "[ . 1 . 2]" 1
436 1 24 ALA MB 1 67 LEU QD . . 3.220 1.949 1.834 2.192 . 0 0 "[ . 1 . 2]" 1
437 1 24 ALA MB 1 67 LEU MD2 . . 4.730 4.124 3.923 4.357 . 0 0 "[ . 1 . 2]" 1
438 1 24 ALA MB 1 93 VAL MG1 . . 3.520 2.461 2.163 2.785 . 0 0 "[ . 1 . 2]" 1
439 1 24 ALA MB 1 93 VAL MG2 . . 3.340 2.314 1.772 2.608 . 0 0 "[ . 1 . 2]" 1
440 1 25 ARG H 1 25 ARG HB2 . . 3.450 2.621 2.358 2.702 . 0 0 "[ . 1 . 2]" 1
441 1 25 ARG H 1 25 ARG HB3 . . 3.340 2.624 2.523 2.793 . 0 0 "[ . 1 . 2]" 1
442 1 25 ARG H 1 25 ARG QD . . 4.960 4.605 4.293 4.819 . 0 0 "[ . 1 . 2]" 1
443 1 25 ARG H 1 25 ARG HG3 . . 4.730 4.494 4.319 4.593 . 0 0 "[ . 1 . 2]" 1
444 1 25 ARG H 1 26 VAL H . . 4.620 4.438 4.223 4.565 . 0 0 "[ . 1 . 2]" 1
445 1 25 ARG H 1 63 MET HA . . 4.950 4.690 4.558 4.946 . 0 0 "[ . 1 . 2]" 1
446 1 25 ARG H 1 63 MET ME . . 4.070 3.636 2.744 4.131 0.061 18 0 "[ . 1 . 2]" 1
447 1 25 ARG HA 1 25 ARG QD . . 5.000 3.923 3.644 4.191 . 0 0 "[ . 1 . 2]" 1
448 1 25 ARG HA 1 25 ARG HG2 . . 3.940 3.112 2.848 3.396 . 0 0 "[ . 1 . 2]" 1
449 1 25 ARG HA 1 25 ARG HG3 . . 3.820 2.423 2.201 2.688 . 0 0 "[ . 1 . 2]" 1
450 1 25 ARG HA 1 26 VAL H . . 2.970 2.152 2.140 2.208 . 0 0 "[ . 1 . 2]" 1
451 1 25 ARG HA 1 62 ALA H . . 4.900 4.735 4.464 4.909 0.009 18 0 "[ . 1 . 2]" 1
452 1 25 ARG HA 1 62 ALA MB . . 5.500 5.164 5.028 5.409 . 0 0 "[ . 1 . 2]" 1
453 1 25 ARG HA 1 63 MET H . . 4.990 4.747 4.540 4.988 . 0 0 "[ . 1 . 2]" 1
454 1 25 ARG HA 1 63 MET HA . . 3.670 2.125 1.957 2.571 . 0 0 "[ . 1 . 2]" 1
455 1 25 ARG HA 1 63 MET ME . . 3.930 3.327 1.936 3.691 . 0 0 "[ . 1 . 2]" 1
456 1 25 ARG HA 1 63 MET QG . . 4.690 3.078 2.612 4.513 . 0 0 "[ . 1 . 2]" 1
457 1 25 ARG HA 1 64 LEU H . . 3.620 3.387 2.941 3.597 . 0 0 "[ . 1 . 2]" 1
458 1 25 ARG HA 1 64 LEU MD2 . . 5.500 5.117 4.678 5.549 0.049 18 0 "[ . 1 . 2]" 1
459 1 25 ARG HB2 1 25 ARG QD . . 3.620 2.375 2.085 2.907 . 0 0 "[ . 1 . 2]" 1
460 1 25 ARG HB2 1 26 VAL H . . 4.660 4.356 4.133 4.525 . 0 0 "[ . 1 . 2]" 1
461 1 25 ARG HB2 1 63 MET ME . . 3.600 2.444 1.857 3.389 . 0 0 "[ . 1 . 2]" 1
462 1 25 ARG HB3 1 25 ARG HD2 . . 4.010 3.419 2.328 3.952 . 0 0 "[ . 1 . 2]" 1
463 1 25 ARG HB3 1 25 ARG QD . . 3.520 2.720 2.179 3.173 . 0 0 "[ . 1 . 2]" 1
464 1 25 ARG HB3 1 25 ARG HD3 . . 4.010 3.061 2.228 3.719 . 0 0 "[ . 1 . 2]" 1
465 1 25 ARG HB3 1 26 VAL H . . 4.420 4.144 3.952 4.308 . 0 0 "[ . 1 . 2]" 1
466 1 25 ARG QD 1 61 SER QB . . 4.270 3.550 2.859 4.120 . 0 0 "[ . 1 . 2]" 1
467 1 25 ARG QD 1 62 ALA H . . 5.340 5.013 4.684 5.316 . 0 0 "[ . 1 . 2]" 1
468 1 25 ARG HD2 1 63 MET ME . . 4.880 4.162 3.144 4.874 . 0 0 "[ . 1 . 2]" 1
469 1 25 ARG HD3 1 63 MET ME . . 4.880 3.760 2.700 4.813 . 0 0 "[ . 1 . 2]" 1
470 1 25 ARG HG2 1 26 VAL H . . 4.450 3.321 2.716 3.744 . 0 0 "[ . 1 . 2]" 1
471 1 25 ARG HG2 1 27 PHE QD . . 4.500 3.571 2.737 3.974 . 0 0 "[ . 1 . 2]" 1
472 1 25 ARG HG2 1 61 SER HB2 . . 4.760 3.508 3.150 4.281 . 0 0 "[ . 1 . 2]" 1
473 1 25 ARG HG2 1 61 SER QB . . 4.030 3.356 3.086 3.828 . 0 0 "[ . 1 . 2]" 1
474 1 25 ARG HG2 1 61 SER HB3 . . 4.760 4.540 3.436 4.756 . 0 0 "[ . 1 . 2]" 1
475 1 25 ARG HG2 1 63 MET ME . . 5.500 4.697 3.545 5.069 . 0 0 "[ . 1 . 2]" 1
476 1 25 ARG HG3 1 26 VAL H . . 3.830 3.266 2.442 3.830 0.000 15 0 "[ . 1 . 2]" 1
477 1 25 ARG HG3 1 61 SER QB . . 4.420 3.893 3.465 4.388 . 0 0 "[ . 1 . 2]" 1
478 1 25 ARG HG3 1 62 ALA H . . 4.360 3.962 3.543 4.292 . 0 0 "[ . 1 . 2]" 1
479 1 25 ARG HG3 1 63 MET HA . . 4.510 2.998 2.655 3.289 . 0 0 "[ . 1 . 2]" 1
480 1 25 ARG HG3 1 63 MET ME . . 4.440 3.592 2.232 4.061 . 0 0 "[ . 1 . 2]" 1
481 1 25 ARG HG3 1 64 LEU H . . 5.410 5.088 4.718 5.316 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL H 1 26 VAL HB . . 3.980 3.096 2.895 3.274 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL H 1 26 VAL MG1 . . 4.320 1.947 1.861 2.062 . 0 0 "[ . 1 . 2]" 1
484 1 26 VAL H 1 26 VAL QG . . 3.030 1.941 1.856 2.053 . 0 0 "[ . 1 . 2]" 1
485 1 26 VAL H 1 26 VAL MG2 . . 4.320 3.810 3.738 3.860 . 0 0 "[ . 1 . 2]" 1
486 1 26 VAL H 1 27 PHE H . . 5.040 4.353 4.159 4.520 . 0 0 "[ . 1 . 2]" 1
487 1 26 VAL H 1 61 SER HA . . 5.500 5.063 4.830 5.531 0.031 18 0 "[ . 1 . 2]" 1
488 1 26 VAL H 1 62 ALA HA . . 5.500 5.009 4.887 5.169 . 0 0 "[ . 1 . 2]" 1
489 1 26 VAL H 1 62 ALA MB . . 4.390 4.149 3.950 4.336 . 0 0 "[ . 1 . 2]" 1
490 1 26 VAL H 1 63 MET HA . . 3.860 3.137 2.443 3.699 . 0 0 "[ . 1 . 2]" 1
491 1 26 VAL H 1 63 MET ME . . 5.330 5.129 3.679 5.350 0.020 18 0 "[ . 1 . 2]" 1
492 1 26 VAL H 1 64 LEU H . . 4.960 4.554 4.086 4.814 . 0 0 "[ . 1 . 2]" 1
493 1 26 VAL H 1 64 LEU MD2 . . 4.790 4.509 4.135 4.708 . 0 0 "[ . 1 . 2]" 1
494 1 26 VAL H 1 64 LEU HG . . 4.880 3.555 3.294 3.791 . 0 0 "[ . 1 . 2]" 1
495 1 26 VAL HA 1 26 VAL QG . . 3.150 2.323 2.201 2.425 . 0 0 "[ . 1 . 2]" 1
496 1 26 VAL HA 1 27 PHE H . . 2.790 2.149 2.140 2.170 . 0 0 "[ . 1 . 2]" 1
497 1 26 VAL HA 1 64 LEU MD1 . . 4.820 4.642 4.255 4.838 0.018 18 0 "[ . 1 . 2]" 1
498 1 26 VAL HB 1 27 PHE H . . 4.350 4.185 4.021 4.350 . 7 0 "[ . 1 . 2]" 1
499 1 26 VAL HB 1 64 LEU MD1 . . 3.590 2.737 2.192 3.021 . 0 0 "[ . 1 . 2]" 1
500 1 26 VAL HB 1 77 VAL MG2 . . 5.030 4.520 4.311 4.775 . 0 0 "[ . 1 . 2]" 1
501 1 26 VAL HB 1 93 VAL MG1 . . 4.670 4.250 3.861 4.570 . 0 0 "[ . 1 . 2]" 1
502 1 26 VAL QG 1 27 PHE H . . 3.030 2.560 2.224 2.867 . 0 0 "[ . 1 . 2]" 1
503 1 26 VAL QG 1 28 TRP HE3 . . 3.430 2.554 2.201 2.875 . 0 0 "[ . 1 . 2]" 1
504 1 26 VAL QG 1 28 TRP HH2 . . 4.150 3.768 3.437 4.050 . 0 0 "[ . 1 . 2]" 1
505 1 26 VAL QG 1 28 TRP HZ3 . . 3.090 2.200 1.961 2.513 . 0 0 "[ . 1 . 2]" 1
506 1 26 VAL QG 1 40 VAL QG . . 3.220 2.451 2.190 2.604 . 0 0 "[ . 1 . 2]" 1
507 1 26 VAL QG 1 61 SER HA . . 4.920 3.925 3.489 4.515 . 0 0 "[ . 1 . 2]" 1
508 1 26 VAL QG 1 62 ALA H . . 3.360 2.841 2.378 3.317 . 0 0 "[ . 1 . 2]" 1
509 1 26 VAL QG 1 62 ALA HA . . 5.340 4.437 4.145 4.617 . 0 0 "[ . 1 . 2]" 1
510 1 26 VAL QG 1 62 ALA MB . . 3.130 2.777 2.508 3.087 . 0 0 "[ . 1 . 2]" 1
511 1 26 VAL QG 1 63 MET H . . 5.260 4.614 4.316 4.833 . 0 0 "[ . 1 . 2]" 1
512 1 26 VAL QG 1 64 LEU H . . 5.440 4.502 4.088 4.739 . 0 0 "[ . 1 . 2]" 1
513 1 26 VAL QG 1 64 LEU HB2 . . 4.570 4.371 4.115 4.524 . 0 0 "[ . 1 . 2]" 1
514 1 26 VAL QG 1 64 LEU HB3 . . 4.830 4.735 4.485 4.829 . 0 0 "[ . 1 . 2]" 1
515 1 26 VAL QG 1 64 LEU MD1 . . 3.190 2.038 1.855 2.304 . 0 0 "[ . 1 . 2]" 1
516 1 26 VAL QG 1 64 LEU MD2 . . 2.880 2.691 2.415 2.876 . 0 0 "[ . 1 . 2]" 1
517 1 26 VAL QG 1 64 LEU HG . . 3.560 2.507 2.151 2.770 . 0 0 "[ . 1 . 2]" 1
518 1 26 VAL QG 1 75 VAL QG . . 3.090 2.026 1.795 2.363 . 0 0 "[ . 1 . 2]" 1
519 1 26 VAL QG 1 77 VAL MG1 . . 4.100 3.787 3.603 4.004 . 0 0 "[ . 1 . 2]" 1
520 1 26 VAL QG 1 77 VAL MG2 . . 3.540 2.271 2.047 2.466 . 0 0 "[ . 1 . 2]" 1
521 1 26 VAL MG1 1 27 PHE H . . 4.320 4.101 3.985 4.213 . 0 0 "[ . 1 . 2]" 1
522 1 26 VAL MG1 1 28 TRP HE3 . . 4.140 3.894 3.547 4.136 . 0 0 "[ . 1 . 2]" 1
523 1 26 VAL MG1 1 28 TRP HZ3 . . 4.190 2.395 2.083 2.634 . 0 0 "[ . 1 . 2]" 1
524 1 26 VAL MG1 1 62 ALA H . . 4.760 2.881 2.393 3.385 . 0 0 "[ . 1 . 2]" 1
525 1 26 VAL MG1 1 77 VAL MG1 . . 4.710 4.404 4.025 4.711 0.001 1 0 "[ . 1 . 2]" 1
526 1 26 VAL MG2 1 27 PHE H . . 4.320 2.589 2.234 2.928 . 0 0 "[ . 1 . 2]" 1
527 1 26 VAL MG2 1 28 TRP HE3 . . 4.140 2.596 2.212 3.011 . 0 0 "[ . 1 . 2]" 1
528 1 26 VAL MG2 1 28 TRP HZ3 . . 4.190 2.638 2.098 3.173 . 0 0 "[ . 1 . 2]" 1
529 1 26 VAL MG2 1 62 ALA H . . 4.760 4.370 3.994 4.765 0.005 18 0 "[ . 1 . 2]" 1
530 1 26 VAL MG2 1 77 VAL MG1 . . 4.710 4.143 3.816 4.437 . 0 0 "[ . 1 . 2]" 1
531 1 27 PHE H 1 27 PHE QB . . 3.590 2.966 2.856 3.061 . 0 0 "[ . 1 . 2]" 1
532 1 27 PHE H 1 27 PHE QD . . 3.560 2.773 2.221 3.080 . 0 0 "[ . 1 . 2]" 1
533 1 27 PHE H 1 27 PHE QE . . 5.420 4.248 3.881 4.448 . 0 0 "[ . 1 . 2]" 1
534 1 27 PHE H 1 28 TRP H . . 4.750 4.432 4.342 4.495 . 0 0 "[ . 1 . 2]" 1
535 1 27 PHE HA 1 27 PHE QD . . 4.260 3.703 3.652 3.727 . 0 0 "[ . 1 . 2]" 1
536 1 27 PHE HA 1 28 TRP H . . 2.920 2.317 2.170 2.503 . 0 0 "[ . 1 . 2]" 1
537 1 27 PHE HA 1 28 TRP HE3 . . 4.180 2.717 2.368 3.003 . 0 0 "[ . 1 . 2]" 1
538 1 27 PHE HA 1 61 SER H . . 4.990 4.594 4.414 4.885 . 0 0 "[ . 1 . 2]" 1
539 1 27 PHE HA 1 61 SER HA . . 3.990 2.095 1.998 2.289 . 0 0 "[ . 1 . 2]" 1
540 1 27 PHE HA 1 61 SER HB2 . . 4.880 3.821 2.309 4.603 . 0 0 "[ . 1 . 2]" 1
541 1 27 PHE HA 1 61 SER QB . . 4.050 3.040 2.292 3.710 . 0 0 "[ . 1 . 2]" 1
542 1 27 PHE HA 1 61 SER HB3 . . 4.880 3.271 2.312 3.914 . 0 0 "[ . 1 . 2]" 1
543 1 27 PHE HA 1 62 ALA H . . 3.880 3.401 3.029 3.778 . 0 0 "[ . 1 . 2]" 1
544 1 27 PHE QB 1 28 TRP H . . 3.140 2.661 2.258 3.087 . 0 0 "[ . 1 . 2]" 1
545 1 27 PHE QB 1 61 SER QB . . 3.430 2.035 1.823 2.257 . 0 0 "[ . 1 . 2]" 1
546 1 27 PHE QB 1 62 ALA H . . 4.480 3.884 3.246 4.405 . 0 0 "[ . 1 . 2]" 1
547 1 27 PHE HB2 1 61 SER HA . . 4.670 3.274 2.672 3.934 . 0 0 "[ . 1 . 2]" 1
548 1 27 PHE HB2 1 61 SER HB2 . . 4.760 3.661 2.225 4.035 . 0 0 "[ . 1 . 2]" 1
549 1 27 PHE HB2 1 61 SER HB3 . . 4.760 2.471 2.050 3.871 . 0 0 "[ . 1 . 2]" 1
550 1 27 PHE HB3 1 61 SER HA . . 4.670 3.118 2.354 3.836 . 0 0 "[ . 1 . 2]" 1
551 1 27 PHE HB3 1 61 SER HB2 . . 4.760 2.852 2.015 3.399 . 0 0 "[ . 1 . 2]" 1
552 1 27 PHE HB3 1 61 SER HB3 . . 4.760 2.419 2.007 3.414 . 0 0 "[ . 1 . 2]" 1
553 1 27 PHE QD 1 28 TRP H . . 3.720 3.303 2.705 3.715 . 0 0 "[ . 1 . 2]" 1
554 1 27 PHE QD 1 28 TRP HA . . 4.480 3.489 3.002 3.893 . 0 0 "[ . 1 . 2]" 1
555 1 27 PHE QD 1 61 SER HB2 . . 5.130 4.600 3.985 5.125 . 0 0 "[ . 1 . 2]" 1
556 1 27 PHE QD 1 61 SER QB . . 4.430 3.858 3.592 4.064 . 0 0 "[ . 1 . 2]" 1
557 1 27 PHE QD 1 61 SER HB3 . . 5.130 4.188 3.853 5.127 . 0 0 "[ . 1 . 2]" 1
558 1 28 TRP H 1 28 TRP HB3 . . 4.200 3.375 3.171 3.512 . 0 0 "[ . 1 . 2]" 1
559 1 28 TRP H 1 28 TRP HD1 . . 4.680 4.140 3.977 4.391 . 0 0 "[ . 1 . 2]" 1
560 1 28 TRP H 1 28 TRP HE3 . . 4.600 2.918 2.285 3.239 . 0 0 "[ . 1 . 2]" 1
561 1 28 TRP H 1 28 TRP HZ3 . . 4.840 4.492 3.927 4.799 . 0 0 "[ . 1 . 2]" 1
562 1 28 TRP H 1 29 GLU H . . 4.510 4.461 4.386 4.523 0.013 11 0 "[ . 1 . 2]" 1
563 1 28 TRP H 1 60 THR HA . . 4.310 3.918 3.586 4.264 . 0 0 "[ . 1 . 2]" 1
564 1 28 TRP H 1 60 THR HB . . 3.920 3.546 3.234 3.844 . 0 0 "[ . 1 . 2]" 1
565 1 28 TRP H 1 60 THR MG . . 5.050 4.656 4.389 4.940 . 0 0 "[ . 1 . 2]" 1
566 1 28 TRP H 1 61 SER HA . . 3.690 3.547 3.235 3.658 . 0 0 "[ . 1 . 2]" 1
567 1 28 TRP H 1 61 SER QB . . 4.270 4.019 3.734 4.274 0.004 18 0 "[ . 1 . 2]" 1
568 1 28 TRP H 1 62 ALA H . . 5.500 5.426 5.219 5.501 0.001 16 0 "[ . 1 . 2]" 1
569 1 28 TRP HA 1 28 TRP HD1 . . 4.780 4.698 4.663 4.737 . 0 0 "[ . 1 . 2]" 1
570 1 28 TRP HA 1 29 GLU H . . 2.990 2.462 2.346 2.633 . 0 0 "[ . 1 . 2]" 1
571 1 28 TRP HA 1 29 GLU HA . . 4.850 4.335 4.319 4.360 . 0 0 "[ . 1 . 2]" 1
572 1 28 TRP HA 1 29 GLU QB . . 5.330 4.472 4.283 4.613 . 0 0 "[ . 1 . 2]" 1
573 1 28 TRP HA 1 29 GLU QG . . 4.760 4.006 3.516 4.426 . 0 0 "[ . 1 . 2]" 1
574 1 28 TRP HA 1 89 LEU MD1 . . 4.590 4.289 3.887 4.598 0.008 13 0 "[ . 1 . 2]" 1
575 1 28 TRP HB2 1 28 TRP HE1 . . 4.800 4.765 4.755 4.771 . 0 0 "[ . 1 . 2]" 1
576 1 28 TRP HB2 1 29 GLU H . . 3.370 2.326 1.974 2.604 . 0 0 "[ . 1 . 2]" 1
577 1 28 TRP HB2 1 29 GLU HA . . 5.500 4.541 4.389 4.646 . 0 0 "[ . 1 . 2]" 1
578 1 28 TRP HB2 1 89 LEU MD1 . . 3.900 2.903 2.551 3.184 . 0 0 "[ . 1 . 2]" 1
579 1 28 TRP HB2 1 89 LEU MD2 . . 4.930 4.631 4.304 4.893 . 0 0 "[ . 1 . 2]" 1
580 1 28 TRP HB3 1 28 TRP HE3 . . 4.090 2.722 2.674 2.832 . 0 0 "[ . 1 . 2]" 1
581 1 28 TRP HB3 1 29 GLU H . . 3.690 3.500 3.281 3.640 . 0 0 "[ . 1 . 2]" 1
582 1 28 TRP HB3 1 89 LEU MD1 . . 3.780 2.713 2.222 3.028 . 0 0 "[ . 1 . 2]" 1
583 1 28 TRP HB3 1 89 LEU MD2 . . 4.650 4.486 4.025 4.654 0.004 8 0 "[ . 1 . 2]" 1
584 1 28 TRP HD1 1 29 GLU H . . 4.510 4.157 3.830 4.482 . 0 0 "[ . 1 . 2]" 1
585 1 28 TRP HD1 1 29 GLU HA . . 5.180 5.022 4.836 5.184 0.004 13 0 "[ . 1 . 2]" 1
586 1 28 TRP HD1 1 30 GLY H . . 4.730 2.018 1.901 2.235 . 0 0 "[ . 1 . 2]" 1
587 1 28 TRP HD1 1 30 GLY HA2 . . 4.430 2.015 1.996 2.060 . 0 0 "[ . 1 . 2]" 1
588 1 28 TRP HD1 1 30 GLY HA3 . . 4.790 3.561 3.421 3.600 . 0 0 "[ . 1 . 2]" 1
589 1 28 TRP HD1 1 31 ALA H . . 4.700 4.133 3.299 4.496 . 0 0 "[ . 1 . 2]" 1
590 1 28 TRP HD1 1 31 ALA MB . . 5.220 4.548 4.259 5.004 . 0 0 "[ . 1 . 2]" 1
591 1 28 TRP HD1 1 60 THR HA . . 4.640 3.778 3.482 4.200 . 0 0 "[ . 1 . 2]" 1
592 1 28 TRP HD1 1 60 THR MG . . 4.250 3.517 3.035 3.958 . 0 0 "[ . 1 . 2]" 1
593 1 28 TRP HD1 1 89 LEU MD1 . . 4.780 4.075 3.460 4.436 . 0 0 "[ . 1 . 2]" 1
594 1 28 TRP HE1 1 30 GLY H . . 4.910 4.387 4.197 4.687 . 0 0 "[ . 1 . 2]" 1
595 1 28 TRP HE1 1 30 GLY HA2 . . 4.410 3.494 3.256 3.784 . 0 0 "[ . 1 . 2]" 1
596 1 28 TRP HE1 1 30 GLY HA3 . . 5.470 5.082 4.870 5.305 . 0 0 "[ . 1 . 2]" 1
597 1 28 TRP HE1 1 31 ALA H . . 5.500 5.185 4.188 5.479 . 0 0 "[ . 1 . 2]" 1
598 1 28 TRP HE1 1 38 VAL MG1 . . 4.630 4.078 3.648 4.548 . 0 0 "[ . 1 . 2]" 1
599 1 28 TRP HE1 1 38 VAL QG . . 3.770 3.448 3.057 3.741 . 0 0 "[ . 1 . 2]" 1
600 1 28 TRP HE1 1 38 VAL MG2 . . 4.630 3.730 3.281 4.011 . 0 0 "[ . 1 . 2]" 1
601 1 28 TRP HE1 1 59 ALA MB . . 5.200 4.930 4.436 5.182 . 0 0 "[ . 1 . 2]" 1
602 1 28 TRP HE1 1 60 THR HA . . 3.200 2.430 2.100 2.968 . 0 0 "[ . 1 . 2]" 1
603 1 28 TRP HE1 1 60 THR HB . . 4.650 4.379 3.873 4.639 . 0 0 "[ . 1 . 2]" 1
604 1 28 TRP HE1 1 60 THR MG . . 3.640 3.224 2.763 3.524 . 0 0 "[ . 1 . 2]" 1
605 1 28 TRP HE1 1 77 VAL MG1 . . 4.650 4.171 3.472 4.568 . 0 0 "[ . 1 . 2]" 1
606 1 28 TRP HE1 1 89 LEU MD1 . . 5.500 5.336 4.930 5.504 0.004 13 0 "[ . 1 . 2]" 1
607 1 28 TRP HE3 1 61 SER HA . . 4.880 4.060 3.420 4.447 . 0 0 "[ . 1 . 2]" 1
608 1 28 TRP HE3 1 62 ALA H . . 5.090 4.890 4.585 5.058 . 0 0 "[ . 1 . 2]" 1
609 1 28 TRP HE3 1 62 ALA MB . . 5.340 5.278 5.120 5.336 . 0 0 "[ . 1 . 2]" 1
610 1 28 TRP HE3 1 77 VAL MG1 . . 4.560 3.562 2.999 4.026 . 0 0 "[ . 1 . 2]" 1
611 1 28 TRP HE3 1 77 VAL MG2 . . 4.160 2.830 2.447 3.296 . 0 0 "[ . 1 . 2]" 1
612 1 28 TRP HH2 1 38 VAL MG1 . . 5.100 3.546 3.242 3.873 . 0 0 "[ . 1 . 2]" 1
613 1 28 TRP HH2 1 38 VAL QG . . 3.820 3.470 3.203 3.734 . 0 0 "[ . 1 . 2]" 1
614 1 28 TRP HH2 1 38 VAL MG2 . . 5.100 4.977 4.757 5.100 0.000 16 0 "[ . 1 . 2]" 1
615 1 28 TRP HH2 1 40 VAL QG . . 4.110 3.040 2.711 3.334 . 0 0 "[ . 1 . 2]" 1
616 1 28 TRP HH2 1 55 ALA MB . . 3.790 3.664 3.449 3.793 0.003 8 0 "[ . 1 . 2]" 1
617 1 28 TRP HH2 1 59 ALA MB . . 4.380 4.020 3.700 4.271 . 0 0 "[ . 1 . 2]" 1
618 1 28 TRP HH2 1 61 SER H . . 4.480 3.956 3.310 4.434 . 0 0 "[ . 1 . 2]" 1
619 1 28 TRP HH2 1 61 SER HA . . 4.950 3.711 2.920 4.215 . 0 0 "[ . 1 . 2]" 1
620 1 28 TRP HH2 1 62 ALA H . . 4.510 3.711 3.283 3.958 . 0 0 "[ . 1 . 2]" 1
621 1 28 TRP HH2 1 62 ALA MB . . 3.280 2.353 2.077 2.592 . 0 0 "[ . 1 . 2]" 1
622 1 28 TRP HH2 1 77 VAL MG1 . . 4.830 3.470 3.018 3.797 . 0 0 "[ . 1 . 2]" 1
623 1 28 TRP HZ2 1 38 VAL HB . . 4.700 4.076 3.672 4.452 . 0 0 "[ . 1 . 2]" 1
624 1 28 TRP HZ2 1 38 VAL MG1 . . 3.730 2.884 2.359 3.407 . 0 0 "[ . 1 . 2]" 1
625 1 28 TRP HZ2 1 38 VAL QG . . 3.210 2.715 2.311 3.014 . 0 0 "[ . 1 . 2]" 1
626 1 28 TRP HZ2 1 38 VAL MG2 . . 3.730 3.387 3.087 3.583 . 0 0 "[ . 1 . 2]" 1
627 1 28 TRP HZ2 1 55 ALA MB . . 4.100 3.687 3.418 3.883 . 0 0 "[ . 1 . 2]" 1
628 1 28 TRP HZ2 1 59 ALA H . . 5.410 5.065 4.552 5.387 . 0 0 "[ . 1 . 2]" 1
629 1 28 TRP HZ2 1 59 ALA MB . . 3.660 3.297 2.767 3.545 . 0 0 "[ . 1 . 2]" 1
630 1 28 TRP HZ2 1 60 THR HA . . 4.060 3.192 3.018 3.559 . 0 0 "[ . 1 . 2]" 1
631 1 28 TRP HZ2 1 60 THR MG . . 5.150 4.728 4.532 4.931 . 0 0 "[ . 1 . 2]" 1
632 1 28 TRP HZ2 1 61 SER H . . 4.740 3.644 3.360 3.967 . 0 0 "[ . 1 . 2]" 1
633 1 28 TRP HZ2 1 62 ALA MB . . 4.500 4.217 4.004 4.448 . 0 0 "[ . 1 . 2]" 1
634 1 28 TRP HZ2 1 77 VAL MG1 . . 4.750 3.635 3.382 3.976 . 0 0 "[ . 1 . 2]" 1
635 1 28 TRP HZ3 1 40 VAL QG . . 4.360 3.310 2.964 3.558 . 0 0 "[ . 1 . 2]" 1
636 1 28 TRP HZ3 1 61 SER HA . . 4.700 3.363 2.586 3.944 . 0 0 "[ . 1 . 2]" 1
637 1 28 TRP HZ3 1 62 ALA H . . 4.000 3.202 2.687 3.473 . 0 0 "[ . 1 . 2]" 1
638 1 28 TRP HZ3 1 62 ALA MB . . 3.640 3.209 3.005 3.344 . 0 0 "[ . 1 . 2]" 1
639 1 28 TRP HZ3 1 77 VAL MG1 . . 4.790 3.485 3.143 4.089 . 0 0 "[ . 1 . 2]" 1
640 1 28 TRP HZ3 1 77 VAL MG2 . . 4.410 2.663 2.163 3.299 . 0 0 "[ . 1 . 2]" 1
641 1 29 GLU H 1 29 GLU HB2 . . 3.700 2.409 2.190 3.618 . 0 0 "[ . 1 . 2]" 1
642 1 29 GLU H 1 29 GLU QB . . 3.220 2.324 2.168 2.490 . 0 0 "[ . 1 . 2]" 1
643 1 29 GLU H 1 29 GLU HB3 . . 3.700 3.525 2.537 3.644 . 0 0 "[ . 1 . 2]" 1
644 1 29 GLU H 1 29 GLU QG . . 3.720 2.810 2.217 3.168 . 0 0 "[ . 1 . 2]" 1
645 1 29 GLU H 1 30 GLY H . . 4.420 2.660 2.487 2.754 . 0 0 "[ . 1 . 2]" 1
646 1 29 GLU H 1 89 LEU MD1 . . 5.200 4.138 3.754 4.593 . 0 0 "[ . 1 . 2]" 1
647 1 29 GLU HA 1 29 GLU QG . . 3.540 2.597 2.142 3.330 . 0 0 "[ . 1 . 2]" 1
648 1 29 GLU HA 1 30 GLY H . . 3.180 3.114 3.081 3.207 0.027 16 0 "[ . 1 . 2]" 1
649 1 29 GLU HA 1 30 GLY HA3 . . 4.510 4.407 4.397 4.434 . 0 0 "[ . 1 . 2]" 1
650 1 29 GLU QB 1 30 GLY H . . 3.830 3.623 3.518 3.912 0.082 16 0 "[ . 1 . 2]" 1
651 1 29 GLU HB2 1 30 GLY H . . 4.660 3.900 3.764 4.430 . 0 0 "[ . 1 . 2]" 1
652 1 29 GLU HB3 1 30 GLY H . . 4.660 4.314 4.135 4.426 . 0 0 "[ . 1 . 2]" 1
653 1 29 GLU QG 1 30 GLY H . . 4.690 4.544 3.094 4.717 0.027 20 0 "[ . 1 . 2]" 1
654 1 30 GLY H 1 60 THR MG . . 3.970 3.721 3.297 3.973 0.003 16 0 "[ . 1 . 2]" 1
655 1 30 GLY HA2 1 31 ALA H . . 2.880 2.516 2.175 2.820 . 0 0 "[ . 1 . 2]" 1
656 1 30 GLY HA2 1 31 ALA MB . . 4.140 3.887 3.776 3.987 . 0 0 "[ . 1 . 2]" 1
657 1 30 GLY HA2 1 60 THR MG . . 3.690 2.980 2.422 3.323 . 0 0 "[ . 1 . 2]" 1
658 1 30 GLY HA3 1 31 ALA H . . 3.080 2.644 2.334 3.088 0.008 16 0 "[ . 1 . 2]" 1
659 1 30 GLY HA3 1 31 ALA MB . . 4.920 4.466 4.254 4.719 . 0 0 "[ . 1 . 2]" 1
660 1 30 GLY HA3 1 60 THR MG . . 3.690 3.224 2.938 3.592 . 0 0 "[ . 1 . 2]" 1
661 1 31 ALA H 1 31 ALA MB . . 2.940 2.370 2.059 2.647 . 0 0 "[ . 1 . 2]" 1
662 1 31 ALA H 1 35 VAL QG . . 5.010 4.406 3.879 4.881 . 0 0 "[ . 1 . 2]" 1
663 1 31 ALA H 1 60 THR MG . . 4.920 4.608 4.095 4.911 . 0 0 "[ . 1 . 2]" 1
664 1 31 ALA HA 1 32 PRO HD2 . . 3.160 2.411 2.328 2.523 . 0 0 "[ . 1 . 2]" 1
665 1 31 ALA HA 1 32 PRO HD3 . . 3.260 2.305 2.275 2.354 . 0 0 "[ . 1 . 2]" 1
666 1 31 ALA MB 1 32 PRO HD3 . . 3.320 3.263 3.143 3.331 0.011 4 0 "[ . 1 . 2]" 1
667 1 31 ALA MB 1 32 PRO HG2 . . 4.200 3.714 3.571 3.886 . 0 0 "[ . 1 . 2]" 1
668 1 31 ALA MB 1 32 PRO HG3 . . 4.540 4.439 4.302 4.539 . 0 0 "[ . 1 . 2]" 1
669 1 31 ALA MB 1 33 ARG H . . 3.080 2.207 2.097 2.384 . 0 0 "[ . 1 . 2]" 1
670 1 31 ALA MB 1 33 ARG QD . . 4.560 3.912 2.193 4.568 0.008 4 0 "[ . 1 . 2]" 1
671 1 31 ALA MB 1 33 ARG HG2 . . 3.920 2.786 2.243 3.409 . 0 0 "[ . 1 . 2]" 1
672 1 31 ALA MB 1 35 VAL HB . . 5.150 4.752 4.079 5.164 0.014 4 0 "[ . 1 . 2]" 1
673 1 31 ALA MB 1 35 VAL QG . . 3.310 3.033 2.683 3.324 0.014 16 0 "[ . 1 . 2]" 1
674 1 31 ALA MB 1 79 CYS HB2 . . 5.500 4.151 3.835 4.762 . 0 0 "[ . 1 . 2]" 1
675 1 31 ALA MB 1 79 CYS HB3 . . 4.540 4.189 3.710 4.444 . 0 0 "[ . 1 . 2]" 1
676 1 31 ALA MB 1 81 TYR QD . . 4.920 4.579 4.173 4.956 0.036 4 0 "[ . 1 . 2]" 1
677 1 31 ALA MB 1 81 TYR QE . . 3.570 2.802 2.352 3.260 . 0 0 "[ . 1 . 2]" 1
678 1 32 PRO HA 1 33 ARG H . . 3.390 3.341 3.288 3.395 0.005 14 0 "[ . 1 . 2]" 1
679 1 32 PRO HD2 1 33 ARG H . . 3.640 2.936 2.823 3.050 . 0 0 "[ . 1 . 2]" 1
680 1 32 PRO HD3 1 33 ARG H . . 4.410 3.995 3.936 4.055 . 0 0 "[ . 1 . 2]" 1
681 1 32 PRO HD3 1 33 ARG HG2 . . 5.480 4.985 4.458 5.505 0.025 13 0 "[ . 1 . 2]" 1
682 1 32 PRO HG2 1 33 ARG H . . 4.100 3.202 3.012 3.378 . 0 0 "[ . 1 . 2]" 1
683 1 32 PRO HG2 1 33 ARG QB . . 5.170 3.758 3.362 4.505 . 0 0 "[ . 1 . 2]" 1
684 1 32 PRO HG3 1 33 ARG H . . 4.740 4.507 4.363 4.642 . 0 0 "[ . 1 . 2]" 1
685 1 33 ARG H 1 33 ARG HG2 . . 3.500 2.323 1.904 2.730 . 0 0 "[ . 1 . 2]" 1
686 1 33 ARG H 1 33 ARG HG3 . . 3.790 3.255 2.452 3.759 . 0 0 "[ . 1 . 2]" 1
687 1 33 ARG H 1 34 PRO QD . . 4.910 4.340 4.296 4.367 . 0 0 "[ . 1 . 2]" 1
688 1 33 ARG H 1 81 TYR QE . . 4.760 4.264 3.773 4.751 . 0 0 "[ . 1 . 2]" 1
689 1 33 ARG QB 1 33 ARG HD2 . . 3.800 2.847 2.120 3.293 . 0 0 "[ . 1 . 2]" 1
690 1 33 ARG QB 1 33 ARG QD . . 3.320 2.296 2.061 2.714 . 0 0 "[ . 1 . 2]" 1
691 1 33 ARG QB 1 33 ARG HD3 . . 3.800 2.702 2.151 3.386 . 0 0 "[ . 1 . 2]" 1
692 1 33 ARG QB 1 34 PRO HD2 . . 3.620 1.985 1.953 2.093 . 0 0 "[ . 1 . 2]" 1
693 1 33 ARG QB 1 34 PRO QD . . 3.170 1.970 1.936 2.074 . 0 0 "[ . 1 . 2]" 1
694 1 33 ARG QB 1 34 PRO HD3 . . 3.620 3.290 3.192 3.366 . 0 0 "[ . 1 . 2]" 1
695 1 33 ARG QB 1 34 PRO HG2 . . 5.500 3.725 3.569 3.891 . 0 0 "[ . 1 . 2]" 1
696 1 33 ARG QB 1 34 PRO HG3 . . 4.820 4.488 4.356 4.576 . 0 0 "[ . 1 . 2]" 1
697 1 33 ARG QD 1 81 TYR QD . . 4.700 3.427 2.808 4.701 0.001 17 0 "[ . 1 . 2]" 1
698 1 33 ARG QD 1 81 TYR QE . . 3.820 2.980 2.619 3.571 . 0 0 "[ . 1 . 2]" 1
699 1 33 ARG HD2 1 81 TYR QE . . 4.620 3.495 2.650 4.624 0.004 13 0 "[ . 1 . 2]" 1
700 1 33 ARG HD3 1 81 TYR QE . . 4.620 3.757 2.668 4.647 0.027 4 0 "[ . 1 . 2]" 1
701 1 33 ARG HG2 1 34 PRO QD . . 5.350 4.421 4.138 4.567 . 0 0 "[ . 1 . 2]" 1
702 1 33 ARG HG2 1 81 TYR QE . . 4.390 3.242 2.357 4.219 . 0 0 "[ . 1 . 2]" 1
703 1 33 ARG HG3 1 34 PRO QD . . 4.820 3.905 3.358 4.395 . 0 0 "[ . 1 . 2]" 1
704 1 33 ARG HG3 1 81 TYR QD . . 4.840 3.190 2.376 4.060 . 0 0 "[ . 1 . 2]" 1
705 1 33 ARG HG3 1 81 TYR QE . . 4.490 2.567 1.982 3.187 . 0 0 "[ . 1 . 2]" 1
706 1 34 PRO HA 1 35 VAL H . . 2.750 2.205 2.184 2.251 . 0 0 "[ . 1 . 2]" 1
707 1 34 PRO HA 1 35 VAL QG . . 4.120 3.484 3.226 3.746 . 0 0 "[ . 1 . 2]" 1
708 1 34 PRO QB 1 35 VAL H . . 3.360 3.053 2.906 3.132 . 0 0 "[ . 1 . 2]" 1
709 1 34 PRO HB2 1 35 VAL H . . 3.980 3.218 3.041 3.314 . 0 0 "[ . 1 . 2]" 1
710 1 34 PRO HB3 1 35 VAL H . . 3.980 3.797 3.689 3.857 . 0 0 "[ . 1 . 2]" 1
711 1 34 PRO HG2 1 35 VAL H . . 4.930 4.814 4.715 4.865 . 0 0 "[ . 1 . 2]" 1
712 1 34 PRO HG3 1 35 VAL H . . 5.500 5.488 5.381 5.543 0.043 13 0 "[ . 1 . 2]" 1
713 1 35 VAL H 1 35 VAL HB . . 3.440 2.928 2.538 3.445 0.005 17 0 "[ . 1 . 2]" 1
714 1 35 VAL H 1 35 VAL MG1 . . 3.960 3.222 1.905 3.934 . 0 0 "[ . 1 . 2]" 1
715 1 35 VAL H 1 35 VAL QG . . 3.250 2.489 1.900 2.896 . 0 0 "[ . 1 . 2]" 1
716 1 35 VAL H 1 35 VAL MG2 . . 3.960 3.148 2.533 3.839 . 0 0 "[ . 1 . 2]" 1
717 1 35 VAL H 1 36 ARG H . . 4.970 4.446 4.347 4.492 . 0 0 "[ . 1 . 2]" 1
718 1 35 VAL H 1 36 ARG HA . . 5.020 4.889 4.772 4.981 . 0 0 "[ . 1 . 2]" 1
719 1 35 VAL H 1 57 GLY QA . . 4.890 3.732 3.312 4.199 . 0 0 "[ . 1 . 2]" 1
720 1 35 VAL H 1 82 PRO HD3 . . 4.950 4.725 3.920 4.951 0.001 7 0 "[ . 1 . 2]" 1
721 1 35 VAL H 1 82 PRO HG3 . . 5.500 5.326 4.388 5.492 . 0 0 "[ . 1 . 2]" 1
722 1 35 VAL HA 1 35 VAL MG1 . . 3.660 2.639 2.234 3.183 . 0 0 "[ . 1 . 2]" 1
723 1 35 VAL HA 1 35 VAL MG2 . . 3.660 2.418 2.236 2.532 . 0 0 "[ . 1 . 2]" 1
724 1 35 VAL HA 1 36 ARG H . . 3.160 2.268 2.178 2.365 . 0 0 "[ . 1 . 2]" 1
725 1 35 VAL HA 1 36 ARG QB . . 4.410 4.295 4.150 4.412 0.002 20 0 "[ . 1 . 2]" 1
726 1 35 VAL HA 1 37 LEU H . . 4.400 4.089 3.790 4.400 0.000 16 0 "[ . 1 . 2]" 1
727 1 35 VAL HA 1 81 TYR HA . . 3.980 2.475 2.054 2.800 . 0 0 "[ . 1 . 2]" 1
728 1 35 VAL HA 1 81 TYR HB3 . . 4.960 3.944 3.300 4.398 . 0 0 "[ . 1 . 2]" 1
729 1 35 VAL HA 1 81 TYR QD . . 3.640 2.468 1.998 2.792 . 0 0 "[ . 1 . 2]" 1
730 1 35 VAL HA 1 81 TYR QE . . 4.580 4.262 3.892 4.476 . 0 0 "[ . 1 . 2]" 1
731 1 35 VAL HA 1 82 PRO HD2 . . 4.190 2.878 2.450 3.209 . 0 0 "[ . 1 . 2]" 1
732 1 35 VAL HA 1 82 PRO HD3 . . 4.050 2.351 2.097 2.557 . 0 0 "[ . 1 . 2]" 1
733 1 35 VAL HB 1 36 ARG H . . 4.460 3.824 3.628 4.076 . 0 0 "[ . 1 . 2]" 1
734 1 35 VAL HB 1 37 LEU H . . 4.930 4.421 3.997 4.764 . 0 0 "[ . 1 . 2]" 1
735 1 35 VAL HB 1 38 VAL QG . . 4.530 3.566 2.949 4.136 . 0 0 "[ . 1 . 2]" 1
736 1 35 VAL HB 1 57 GLY HA2 . . 4.700 3.382 2.352 4.699 . 0 0 "[ . 1 . 2]" 1
737 1 35 VAL HB 1 57 GLY HA3 . . 4.700 3.480 2.283 4.701 0.001 9 0 "[ . 1 . 2]" 1
738 1 35 VAL QG 1 36 ARG H . . 3.330 1.968 1.803 2.234 . 0 0 "[ . 1 . 2]" 1
739 1 35 VAL QG 1 36 ARG HA . . 5.140 3.649 3.390 3.917 . 0 0 "[ . 1 . 2]" 1
740 1 35 VAL QG 1 36 ARG QB . . 4.610 3.942 3.690 4.126 . 0 0 "[ . 1 . 2]" 1
741 1 35 VAL QG 1 37 LEU H . . 3.020 1.954 1.800 2.286 . 0 0 "[ . 1 . 2]" 1
742 1 35 VAL QG 1 38 VAL HB . . 4.750 4.379 4.105 4.708 . 0 0 "[ . 1 . 2]" 1
743 1 35 VAL QG 1 38 VAL QG . . 2.830 2.080 1.874 2.369 . 0 0 "[ . 1 . 2]" 1
744 1 35 VAL QG 1 57 GLY H . . 4.200 3.832 3.279 4.200 . 0 0 "[ . 1 . 2]" 1
745 1 35 VAL QG 1 57 GLY QA . . 3.220 2.188 1.759 2.804 . 0 0 "[ . 1 . 2]" 1
746 1 35 VAL QG 1 58 ASN H . . 5.440 4.802 4.089 5.347 . 0 0 "[ . 1 . 2]" 1
747 1 35 VAL QG 1 79 CYS HA . . 3.940 2.916 2.562 3.285 . 0 0 "[ . 1 . 2]" 1
748 1 35 VAL QG 1 79 CYS HB2 . . 3.780 3.326 2.531 3.786 0.006 16 0 "[ . 1 . 2]" 1
749 1 35 VAL QG 1 80 LEU H . . 3.390 2.975 2.763 3.305 . 0 0 "[ . 1 . 2]" 1
750 1 35 VAL QG 1 80 LEU QB . . 4.720 3.605 3.457 3.863 . 0 0 "[ . 1 . 2]" 1
751 1 35 VAL QG 1 81 TYR HA . . 4.520 2.692 2.194 3.176 . 0 0 "[ . 1 . 2]" 1
752 1 35 VAL QG 1 81 TYR QD . . 3.390 2.351 1.908 3.221 . 0 0 "[ . 1 . 2]" 1
753 1 35 VAL QG 1 81 TYR QE . . 3.250 2.377 1.791 3.231 . 0 0 "[ . 1 . 2]" 1
754 1 35 VAL QG 1 82 PRO HD3 . . 4.220 3.330 2.997 3.748 . 0 0 "[ . 1 . 2]" 1
755 1 35 VAL MG1 1 36 ARG H . . 4.240 2.663 1.871 4.086 . 0 0 "[ . 1 . 2]" 1
756 1 35 VAL MG1 1 57 GLY HA2 . . 5.010 2.414 1.956 3.269 . 0 0 "[ . 1 . 2]" 1
757 1 35 VAL MG1 1 57 GLY HA3 . . 5.010 2.746 2.101 3.436 . 0 0 "[ . 1 . 2]" 1
758 1 35 VAL MG1 1 79 CYS HA . . 5.380 3.481 2.769 4.678 . 0 0 "[ . 1 . 2]" 1
759 1 35 VAL MG1 1 79 CYS HB2 . . 4.440 4.068 3.078 4.443 0.003 17 0 "[ . 1 . 2]" 1
760 1 35 VAL MG1 1 79 CYS HB3 . . 3.620 2.724 2.079 3.338 . 0 0 "[ . 1 . 2]" 1
761 1 35 VAL MG1 1 81 TYR QD . . 4.170 3.385 2.641 3.723 . 0 0 "[ . 1 . 2]" 1
762 1 35 VAL MG1 1 81 TYR QE . . 4.380 3.676 2.960 4.367 . 0 0 "[ . 1 . 2]" 1
763 1 35 VAL MG1 1 82 PRO HD3 . . 5.500 3.996 3.275 5.059 . 0 0 "[ . 1 . 2]" 1
764 1 35 VAL MG2 1 36 ARG H . . 4.240 3.196 1.807 4.040 . 0 0 "[ . 1 . 2]" 1
765 1 35 VAL MG2 1 57 GLY HA2 . . 5.010 3.566 2.270 4.477 . 0 0 "[ . 1 . 2]" 1
766 1 35 VAL MG2 1 57 GLY HA3 . . 5.010 3.802 2.215 5.000 . 0 0 "[ . 1 . 2]" 1
767 1 35 VAL MG2 1 79 CYS HA . . 5.380 3.626 2.603 4.247 . 0 0 "[ . 1 . 2]" 1
768 1 35 VAL MG2 1 79 CYS HB2 . . 4.440 3.539 2.692 4.118 . 0 0 "[ . 1 . 2]" 1
769 1 35 VAL MG2 1 79 CYS HB3 . . 3.620 2.299 1.958 3.270 . 0 0 "[ . 1 . 2]" 1
770 1 35 VAL MG2 1 81 TYR QD . . 4.170 2.437 1.935 3.565 . 0 0 "[ . 1 . 2]" 1
771 1 35 VAL MG2 1 81 TYR QE . . 4.380 2.663 1.795 4.193 . 0 0 "[ . 1 . 2]" 1
772 1 35 VAL MG2 1 82 PRO HD3 . . 5.500 3.943 3.029 4.554 . 0 0 "[ . 1 . 2]" 1
773 1 36 ARG H 1 36 ARG QB . . 3.470 2.720 2.532 2.880 . 0 0 "[ . 1 . 2]" 1
774 1 36 ARG H 1 36 ARG QD . . 4.800 3.961 3.774 4.205 . 0 0 "[ . 1 . 2]" 1
775 1 36 ARG H 1 36 ARG HG2 . . 4.160 2.184 1.981 2.392 . 0 0 "[ . 1 . 2]" 1
776 1 36 ARG H 1 36 ARG QG . . 3.500 2.115 1.939 2.313 . 0 0 "[ . 1 . 2]" 1
777 1 36 ARG H 1 36 ARG HG3 . . 4.160 2.954 2.331 3.451 . 0 0 "[ . 1 . 2]" 1
778 1 36 ARG H 1 37 LEU H . . 3.080 2.205 2.057 2.365 . 0 0 "[ . 1 . 2]" 1
779 1 36 ARG H 1 81 TYR HA . . 3.690 2.843 2.449 3.149 . 0 0 "[ . 1 . 2]" 1
780 1 36 ARG H 1 81 TYR QD . . 4.530 4.201 3.724 4.531 0.001 6 0 "[ . 1 . 2]" 1
781 1 36 ARG H 1 82 PRO HD2 . . 4.100 3.707 3.463 4.019 . 0 0 "[ . 1 . 2]" 1
782 1 36 ARG H 1 82 PRO HD3 . . 3.680 2.137 1.912 2.412 . 0 0 "[ . 1 . 2]" 1
783 1 36 ARG H 1 82 PRO HG3 . . 4.700 4.002 3.715 4.238 . 0 0 "[ . 1 . 2]" 1
784 1 36 ARG HA 1 36 ARG QG . . 3.640 3.339 3.324 3.344 . 0 0 "[ . 1 . 2]" 1
785 1 36 ARG HA 1 57 GLY QA . . 5.110 3.579 3.087 3.967 . 0 0 "[ . 1 . 2]" 1
786 1 36 ARG HA 1 82 PRO HD3 . . 4.980 4.025 3.574 4.324 . 0 0 "[ . 1 . 2]" 1
787 1 36 ARG HA 1 82 PRO HG3 . . 4.800 4.432 4.127 4.741 . 0 0 "[ . 1 . 2]" 1
788 1 36 ARG QB 1 36 ARG QD . . 3.410 2.207 2.090 2.463 . 0 0 "[ . 1 . 2]" 1
789 1 36 ARG QB 1 37 LEU H . . 3.920 3.461 3.321 3.588 . 0 0 "[ . 1 . 2]" 1
790 1 36 ARG QB 1 37 LEU QD . . 5.440 4.649 4.448 4.826 . 0 0 "[ . 1 . 2]" 1
791 1 36 ARG QB 1 82 PRO HA . . 3.990 3.585 3.223 3.967 . 0 0 "[ . 1 . 2]" 1
792 1 36 ARG QB 1 82 PRO HB2 . . 4.120 3.846 3.610 4.126 0.006 17 0 "[ . 1 . 2]" 1
793 1 36 ARG QB 1 82 PRO HB3 . . 4.540 2.207 1.982 2.536 . 0 0 "[ . 1 . 2]" 1
794 1 36 ARG QB 1 82 PRO HD2 . . 4.570 4.353 4.121 4.584 0.014 4 0 "[ . 1 . 2]" 1
795 1 36 ARG QB 1 82 PRO HD3 . . 4.540 2.806 2.553 3.100 . 0 0 "[ . 1 . 2]" 1
796 1 36 ARG QD 1 37 LEU QD . . 5.110 4.551 3.955 5.103 . 0 0 "[ . 1 . 2]" 1
797 1 36 ARG QD 1 82 PRO HA . . 3.460 2.178 1.948 2.646 . 0 0 "[ . 1 . 2]" 1
798 1 36 ARG QD 1 82 PRO HB2 . . 4.410 3.746 3.404 4.188 . 0 0 "[ . 1 . 2]" 1
799 1 36 ARG QD 1 82 PRO HB3 . . 4.020 2.457 2.002 2.974 . 0 0 "[ . 1 . 2]" 1
800 1 36 ARG QD 1 82 PRO HD3 . . 5.330 3.892 3.463 4.193 . 0 0 "[ . 1 . 2]" 1
801 1 36 ARG QD 1 82 PRO HG3 . . 4.790 4.395 3.904 4.765 . 0 0 "[ . 1 . 2]" 1
802 1 36 ARG HD2 1 82 PRO HA . . 4.030 3.179 2.043 4.012 . 0 0 "[ . 1 . 2]" 1
803 1 36 ARG HD3 1 82 PRO HA . . 4.030 2.484 1.997 3.928 . 0 0 "[ . 1 . 2]" 1
804 1 36 ARG QG 1 37 LEU H . . 2.980 2.117 1.893 2.423 . 0 0 "[ . 1 . 2]" 1
805 1 36 ARG QG 1 82 PRO HA . . 4.450 3.080 2.396 3.635 . 0 0 "[ . 1 . 2]" 1
806 1 36 ARG QG 1 82 PRO HD3 . . 5.340 2.672 2.042 3.177 . 0 0 "[ . 1 . 2]" 1
807 1 36 ARG QG 1 82 PRO HG3 . . 4.520 4.139 3.166 4.531 0.011 4 0 "[ . 1 . 2]" 1
808 1 37 LEU H 1 37 LEU QB . . 3.460 2.726 2.568 2.885 . 0 0 "[ . 1 . 2]" 1
809 1 37 LEU H 1 37 LEU QD . . 5.060 4.037 3.960 4.104 . 0 0 "[ . 1 . 2]" 1
810 1 37 LEU H 1 37 LEU HG . . 4.820 4.580 4.426 4.733 . 0 0 "[ . 1 . 2]" 1
811 1 37 LEU H 1 38 VAL H . . 4.680 4.366 4.219 4.418 . 0 0 "[ . 1 . 2]" 1
812 1 37 LEU H 1 38 VAL QG . . 4.320 3.845 3.682 3.991 . 0 0 "[ . 1 . 2]" 1
813 1 37 LEU H 1 57 GLY H . . 4.860 4.536 4.242 4.768 . 0 0 "[ . 1 . 2]" 1
814 1 37 LEU H 1 57 GLY HA2 . . 4.710 4.396 3.786 4.711 0.001 16 0 "[ . 1 . 2]" 1
815 1 37 LEU H 1 57 GLY HA3 . . 4.710 4.248 3.843 4.615 . 0 0 "[ . 1 . 2]" 1
816 1 37 LEU H 1 80 LEU H . . 4.250 4.133 3.911 4.257 0.007 1 0 "[ . 1 . 2]" 1
817 1 37 LEU H 1 80 LEU HB2 . . 4.640 3.840 3.594 4.132 . 0 0 "[ . 1 . 2]" 1
818 1 37 LEU H 1 80 LEU HB3 . . 4.640 4.468 4.253 4.651 0.011 16 0 "[ . 1 . 2]" 1
819 1 37 LEU H 1 80 LEU QD . . 5.440 4.920 4.686 5.153 . 0 0 "[ . 1 . 2]" 1
820 1 37 LEU H 1 81 TYR HA . . 4.580 4.330 4.095 4.586 0.006 13 0 "[ . 1 . 2]" 1
821 1 37 LEU H 1 82 PRO HD3 . . 4.960 4.238 3.921 4.456 . 0 0 "[ . 1 . 2]" 1
822 1 37 LEU HA 1 37 LEU QD . . 3.100 2.351 1.973 2.930 . 0 0 "[ . 1 . 2]" 1
823 1 37 LEU HA 1 37 LEU HG . . 3.990 2.837 2.271 3.162 . 0 0 "[ . 1 . 2]" 1
824 1 37 LEU HA 1 38 VAL H . . 2.880 2.324 2.225 2.410 . 0 0 "[ . 1 . 2]" 1
825 1 37 LEU HA 1 38 VAL HB . . 5.180 4.579 4.429 4.677 . 0 0 "[ . 1 . 2]" 1
826 1 37 LEU HA 1 55 ALA H . . 5.010 4.977 4.861 5.019 0.009 4 0 "[ . 1 . 2]" 1
827 1 37 LEU HA 1 56 PRO HA . . 4.310 3.115 2.716 3.426 . 0 0 "[ . 1 . 2]" 1
828 1 37 LEU HA 1 57 GLY H . . 3.900 2.960 2.733 3.196 . 0 0 "[ . 1 . 2]" 1
829 1 37 LEU HA 1 57 GLY QA . . 4.000 3.551 3.036 3.837 . 0 0 "[ . 1 . 2]" 1
830 1 37 LEU QB 1 37 LEU MD1 . . 3.110 2.187 2.045 2.316 . 0 0 "[ . 1 . 2]" 1
831 1 37 LEU QB 1 37 LEU QD . . 2.610 1.876 1.810 1.942 . 0 0 "[ . 1 . 2]" 1
832 1 37 LEU QB 1 37 LEU MD2 . . 3.110 2.046 1.970 2.118 . 0 0 "[ . 1 . 2]" 1
833 1 37 LEU QB 1 38 VAL H . . 4.280 3.359 3.085 3.487 . 0 0 "[ . 1 . 2]" 1
834 1 37 LEU QB 1 57 GLY H . . 4.890 4.702 4.331 4.894 0.004 12 0 "[ . 1 . 2]" 1
835 1 37 LEU QD 1 38 VAL H . . 3.330 2.216 1.816 2.617 . 0 0 "[ . 1 . 2]" 1
836 1 37 LEU QD 1 54 GLU HA . . 4.500 3.676 2.983 4.335 . 0 0 "[ . 1 . 2]" 1
837 1 37 LEU QD 1 54 GLU QB . . 3.060 2.556 2.231 3.070 0.010 20 0 "[ . 1 . 2]" 1
838 1 37 LEU QD 1 54 GLU QG . . 3.330 2.553 1.772 3.246 . 0 0 "[ . 1 . 2]" 1
839 1 37 LEU QD 1 55 ALA H . . 3.810 2.933 2.367 3.504 . 0 0 "[ . 1 . 2]" 1
840 1 37 LEU QD 1 55 ALA MB . . 4.500 4.247 4.010 4.457 . 0 0 "[ . 1 . 2]" 1
841 1 37 LEU QD 1 56 PRO HA . . 4.490 3.215 2.284 4.093 . 0 0 "[ . 1 . 2]" 1
842 1 37 LEU QD 1 57 GLY H . . 4.750 4.175 3.573 4.752 0.002 9 0 "[ . 1 . 2]" 1
843 1 37 LEU MD1 1 54 GLU QB . . 3.810 2.900 2.310 3.789 . 0 0 "[ . 1 . 2]" 1
844 1 37 LEU MD1 1 54 GLU HG2 . . 4.980 3.392 2.175 4.455 . 0 0 "[ . 1 . 2]" 1
845 1 37 LEU MD1 1 54 GLU HG3 . . 4.980 4.221 1.980 4.971 . 0 0 "[ . 1 . 2]" 1
846 1 37 LEU MD1 1 55 ALA H . . 5.050 3.557 2.829 4.880 . 0 0 "[ . 1 . 2]" 1
847 1 37 LEU MD2 1 54 GLU QB . . 3.810 3.311 2.278 3.798 . 0 0 "[ . 1 . 2]" 1
848 1 37 LEU MD2 1 54 GLU HG2 . . 4.980 2.994 2.062 4.460 . 0 0 "[ . 1 . 2]" 1
849 1 37 LEU MD2 1 54 GLU HG3 . . 4.980 3.658 2.144 4.752 . 0 0 "[ . 1 . 2]" 1
850 1 37 LEU MD2 1 55 ALA H . . 5.050 4.127 2.373 4.876 . 0 0 "[ . 1 . 2]" 1
851 1 37 LEU HG 1 38 VAL H . . 3.290 2.278 1.896 2.938 . 0 0 "[ . 1 . 2]" 1
852 1 37 LEU HG 1 54 GLU QB . . 4.490 4.095 3.773 4.442 . 0 0 "[ . 1 . 2]" 1
853 1 38 VAL H 1 38 VAL HB . . 3.300 2.757 2.693 2.860 . 0 0 "[ . 1 . 2]" 1
854 1 38 VAL H 1 38 VAL MG1 . . 4.130 3.896 3.865 3.944 . 0 0 "[ . 1 . 2]" 1
855 1 38 VAL H 1 38 VAL QG . . 3.310 2.813 2.505 3.000 . 0 0 "[ . 1 . 2]" 1
856 1 38 VAL H 1 38 VAL MG2 . . 4.130 2.888 2.537 3.126 . 0 0 "[ . 1 . 2]" 1
857 1 38 VAL H 1 39 ARG H . . 4.520 4.232 4.007 4.451 . 0 0 "[ . 1 . 2]" 1
858 1 38 VAL H 1 54 GLU HA . . 4.840 4.647 4.498 4.824 . 0 0 "[ . 1 . 2]" 1
859 1 38 VAL H 1 55 ALA H . . 3.540 2.959 2.885 3.135 . 0 0 "[ . 1 . 2]" 1
860 1 38 VAL H 1 55 ALA MB . . 4.300 4.024 3.778 4.213 . 0 0 "[ . 1 . 2]" 1
861 1 38 VAL H 1 56 PRO HA . . 4.250 3.921 3.731 4.147 . 0 0 "[ . 1 . 2]" 1
862 1 38 VAL H 1 57 GLY H . . 4.770 4.473 4.219 4.756 . 0 0 "[ . 1 . 2]" 1
863 1 38 VAL H 1 57 GLY QA . . 4.630 4.300 3.998 4.628 . 0 0 "[ . 1 . 2]" 1
864 1 38 VAL HB 1 40 VAL QG . . 4.780 4.045 3.758 4.322 . 0 0 "[ . 1 . 2]" 1
865 1 38 VAL HB 1 54 GLU HA . . 5.230 4.881 4.594 5.202 . 0 0 "[ . 1 . 2]" 1
866 1 38 VAL HB 1 55 ALA H . . 3.680 3.151 2.853 3.394 . 0 0 "[ . 1 . 2]" 1
867 1 38 VAL HB 1 55 ALA MB . . 3.040 2.565 2.307 2.896 . 0 0 "[ . 1 . 2]" 1
868 1 38 VAL HB 1 79 CYS HA . . 5.500 4.789 4.475 5.332 . 0 0 "[ . 1 . 2]" 1
869 1 38 VAL QG 1 39 ARG H . . 3.440 2.608 1.937 2.979 . 0 0 "[ . 1 . 2]" 1
870 1 38 VAL QG 1 39 ARG QB . . 5.120 4.141 3.866 4.324 . 0 0 "[ . 1 . 2]" 1
871 1 38 VAL QG 1 40 VAL H . . 4.700 3.905 3.284 4.508 . 0 0 "[ . 1 . 2]" 1
872 1 38 VAL QG 1 40 VAL HB . . 4.780 4.667 4.400 4.790 0.010 20 0 "[ . 1 . 2]" 1
873 1 38 VAL QG 1 40 VAL QG . . 3.090 2.354 2.212 2.547 . 0 0 "[ . 1 . 2]" 1
874 1 38 VAL QG 1 53 THR MG . . 5.070 4.634 4.369 4.878 . 0 0 "[ . 1 . 2]" 1
875 1 38 VAL QG 1 55 ALA H . . 3.920 3.683 3.414 3.896 . 0 0 "[ . 1 . 2]" 1
876 1 38 VAL QG 1 55 ALA MB . . 3.260 2.954 2.635 3.209 . 0 0 "[ . 1 . 2]" 1
877 1 38 VAL QG 1 57 GLY H . . 4.750 3.776 3.357 4.453 . 0 0 "[ . 1 . 2]" 1
878 1 38 VAL QG 1 57 GLY QA . . 3.540 2.123 1.801 2.599 . 0 0 "[ . 1 . 2]" 1
879 1 38 VAL QG 1 59 ALA H . . 4.410 3.985 3.178 4.377 . 0 0 "[ . 1 . 2]" 1
880 1 38 VAL QG 1 59 ALA MB . . 3.980 3.591 3.023 3.835 . 0 0 "[ . 1 . 2]" 1
881 1 38 VAL QG 1 62 ALA MB . . 4.610 4.317 4.044 4.548 . 0 0 "[ . 1 . 2]" 1
882 1 38 VAL QG 1 77 VAL HA . . 4.670 3.730 3.403 3.975 . 0 0 "[ . 1 . 2]" 1
883 1 38 VAL QG 1 77 VAL MG1 . . 2.990 2.140 1.872 2.313 . 0 0 "[ . 1 . 2]" 1
884 1 38 VAL QG 1 77 VAL MG2 . . 4.040 3.807 3.641 4.031 . 0 0 "[ . 1 . 2]" 1
885 1 38 VAL QG 1 78 THR H . . 4.200 3.597 3.232 3.982 . 0 0 "[ . 1 . 2]" 1
886 1 38 VAL QG 1 79 CYS HA . . 3.400 2.437 2.122 2.835 . 0 0 "[ . 1 . 2]" 1
887 1 38 VAL QG 1 79 CYS HB2 . . 4.920 4.000 3.570 4.565 . 0 0 "[ . 1 . 2]" 1
888 1 38 VAL QG 1 79 CYS HB3 . . 4.510 3.132 2.508 3.782 . 0 0 "[ . 1 . 2]" 1
889 1 38 VAL QG 1 80 LEU H . . 3.680 3.453 3.153 3.686 0.006 16 0 "[ . 1 . 2]" 1
890 1 38 VAL MG1 1 55 ALA H . . 4.620 3.927 3.573 4.214 . 0 0 "[ . 1 . 2]" 1
891 1 38 VAL MG1 1 55 ALA MB . . 3.760 3.205 2.751 3.625 . 0 0 "[ . 1 . 2]" 1
892 1 38 VAL MG1 1 59 ALA MB . . 4.980 4.447 3.563 4.734 . 0 0 "[ . 1 . 2]" 1
893 1 38 VAL MG1 1 77 VAL MG1 . . 4.140 2.154 1.879 2.332 . 0 0 "[ . 1 . 2]" 1
894 1 38 VAL MG1 1 79 CYS HA . . 4.110 2.719 2.326 3.211 . 0 0 "[ . 1 . 2]" 1
895 1 38 VAL MG1 1 80 LEU H . . 4.690 4.170 3.868 4.527 . 0 0 "[ . 1 . 2]" 1
896 1 38 VAL MG2 1 55 ALA H . . 4.620 4.472 4.294 4.627 0.007 6 0 "[ . 1 . 2]" 1
897 1 38 VAL MG2 1 55 ALA MB . . 3.760 3.491 3.102 3.766 0.006 20 0 "[ . 1 . 2]" 1
898 1 38 VAL MG2 1 59 ALA MB . . 4.980 3.799 3.214 4.061 . 0 0 "[ . 1 . 2]" 1
899 1 38 VAL MG2 1 77 VAL MG1 . . 4.140 3.712 3.361 4.001 . 0 0 "[ . 1 . 2]" 1
900 1 38 VAL MG2 1 79 CYS HA . . 4.110 2.782 2.396 3.228 . 0 0 "[ . 1 . 2]" 1
901 1 38 VAL MG2 1 80 LEU H . . 4.690 3.690 3.341 3.952 . 0 0 "[ . 1 . 2]" 1
902 1 39 ARG H 1 39 ARG HB2 . . 3.790 2.561 2.235 2.924 . 0 0 "[ . 1 . 2]" 1
903 1 39 ARG H 1 39 ARG QB . . 3.250 2.416 2.210 2.666 . 0 0 "[ . 1 . 2]" 1
904 1 39 ARG H 1 39 ARG HB3 . . 3.790 3.152 2.811 3.584 . 0 0 "[ . 1 . 2]" 1
905 1 39 ARG H 1 40 VAL QG . . 4.240 4.092 3.907 4.238 . 0 0 "[ . 1 . 2]" 1
906 1 39 ARG H 1 54 GLU HA . . 5.170 4.915 4.528 5.068 . 0 0 "[ . 1 . 2]" 1
907 1 39 ARG H 1 54 GLU QG . . 5.320 5.001 4.690 5.238 . 0 0 "[ . 1 . 2]" 1
908 1 39 ARG H 1 77 VAL MG1 . . 4.820 4.398 3.996 4.824 0.004 9 0 "[ . 1 . 2]" 1
909 1 39 ARG H 1 78 THR H . . 3.980 3.780 3.426 3.983 0.003 12 0 "[ . 1 . 2]" 1
910 1 39 ARG H 1 78 THR HB . . 4.270 3.287 2.607 3.729 . 0 0 "[ . 1 . 2]" 1
911 1 39 ARG H 1 79 CYS HA . . 3.920 3.440 2.930 3.932 0.012 8 0 "[ . 1 . 2]" 1
912 1 39 ARG H 1 80 LEU H . . 4.290 3.607 2.887 4.164 . 0 0 "[ . 1 . 2]" 1
913 1 39 ARG H 1 80 LEU QD . . 3.940 3.110 2.050 3.892 . 0 0 "[ . 1 . 2]" 1
914 1 39 ARG QB 1 39 ARG QD . . 3.450 2.235 2.073 2.409 . 0 0 "[ . 1 . 2]" 1
915 1 39 ARG QB 1 40 VAL H . . 4.190 3.588 3.034 3.937 . 0 0 "[ . 1 . 2]" 1
916 1 39 ARG QB 1 54 GLU QG . . 4.510 3.671 3.267 4.613 0.103 20 0 "[ . 1 . 2]" 1
917 1 39 ARG QB 1 78 THR H . . 4.710 3.989 3.794 4.299 . 0 0 "[ . 1 . 2]" 1
918 1 39 ARG QB 1 78 THR HB . . 3.520 2.660 2.120 3.109 . 0 0 "[ . 1 . 2]" 1
919 1 39 ARG QB 1 78 THR MG . . 4.330 3.578 2.916 3.957 . 0 0 "[ . 1 . 2]" 1
920 1 39 ARG QB 1 80 LEU QD . . 3.470 2.535 1.643 3.109 . 0 0 "[ . 1 . 2]" 1
921 1 39 ARG HB2 1 78 THR HB . . 4.110 3.499 2.409 4.110 . 1 0 "[ . 1 . 2]" 1
922 1 39 ARG HB3 1 78 THR HB . . 4.110 2.954 2.146 3.848 . 0 0 "[ . 1 . 2]" 1
923 1 39 ARG QD 1 52 GLN HB2 . . 5.500 5.282 4.156 5.510 0.010 20 0 "[ . 1 . 2]" 1
924 1 39 ARG QD 1 52 GLN HB3 . . 5.500 5.390 4.787 5.505 0.005 8 0 "[ . 1 . 2]" 1
925 1 39 ARG QD 1 52 GLN HE21 . . 4.770 3.229 2.450 4.399 . 0 0 "[ . 1 . 2]" 1
926 1 39 ARG QD 1 52 GLN QE . . 4.120 2.809 2.165 3.598 . 0 0 "[ . 1 . 2]" 1
927 1 39 ARG QD 1 52 GLN HE22 . . 4.770 3.165 2.411 4.025 . 0 0 "[ . 1 . 2]" 1
928 1 39 ARG QD 1 54 GLU QB . . 5.500 5.180 3.675 5.501 0.001 17 0 "[ . 1 . 2]" 1
929 1 39 ARG QD 1 80 LEU QD . . 3.720 3.409 2.736 3.731 0.011 14 0 "[ . 1 . 2]" 1
930 1 39 ARG QG 1 40 VAL H . . 4.110 3.402 3.074 3.688 . 0 0 "[ . 1 . 2]" 1
931 1 39 ARG QG 1 40 VAL HA . . 5.500 5.063 4.540 5.641 0.141 17 0 "[ . 1 . 2]" 1
932 1 39 ARG QG 1 52 GLN QE . . 4.810 3.566 2.564 4.231 . 0 0 "[ . 1 . 2]" 1
933 1 39 ARG QG 1 52 GLN HG2 . . 4.760 3.301 2.484 4.151 . 0 0 "[ . 1 . 2]" 1
934 1 39 ARG QG 1 52 GLN QG . . 4.140 2.838 1.978 3.567 . 0 0 "[ . 1 . 2]" 1
935 1 39 ARG QG 1 52 GLN HG3 . . 4.760 3.159 2.077 4.264 . 0 0 "[ . 1 . 2]" 1
936 1 39 ARG QG 1 54 GLU HA . . 4.320 3.229 2.919 3.499 . 0 0 "[ . 1 . 2]" 1
937 1 39 ARG QG 1 54 GLU QB . . 4.160 3.786 1.905 4.156 . 0 0 "[ . 1 . 2]" 1
938 1 39 ARG QG 1 54 GLU HG2 . . 4.140 2.754 2.019 4.128 . 0 0 "[ . 1 . 2]" 1
939 1 39 ARG QG 1 54 GLU QG . . 3.610 2.185 1.945 3.630 0.020 19 0 "[ . 1 . 2]" 1
940 1 39 ARG QG 1 54 GLU HG3 . . 4.140 2.536 1.964 4.025 . 0 0 "[ . 1 . 2]" 1
941 1 39 ARG QG 1 78 THR HB . . 5.300 4.667 4.067 5.222 . 0 0 "[ . 1 . 2]" 1
942 1 40 VAL H 1 40 VAL HB . . 3.250 2.647 2.492 2.769 . 0 0 "[ . 1 . 2]" 1
943 1 40 VAL H 1 40 VAL MG1 . . 4.640 3.840 3.775 3.901 . 0 0 "[ . 1 . 2]" 1
944 1 40 VAL H 1 40 VAL QG . . 3.330 2.470 2.089 2.865 . 0 0 "[ . 1 . 2]" 1
945 1 40 VAL H 1 40 VAL MG2 . . 4.640 2.505 2.099 2.950 . 0 0 "[ . 1 . 2]" 1
946 1 40 VAL H 1 52 GLN QG . . 4.930 3.879 3.312 4.470 . 0 0 "[ . 1 . 2]" 1
947 1 40 VAL H 1 53 THR H . . 3.480 3.303 2.952 3.495 0.015 19 0 "[ . 1 . 2]" 1
948 1 40 VAL H 1 53 THR MG . . 3.950 2.939 2.449 3.319 . 0 0 "[ . 1 . 2]" 1
949 1 40 VAL H 1 54 GLU HA . . 3.720 3.286 2.887 3.601 . 0 0 "[ . 1 . 2]" 1
950 1 40 VAL H 1 54 GLU QG . . 5.270 4.379 3.782 5.289 0.019 20 0 "[ . 1 . 2]" 1
951 1 40 VAL H 1 55 ALA H . . 4.830 4.611 4.271 4.842 0.012 6 0 "[ . 1 . 2]" 1
952 1 40 VAL H 1 77 VAL HA . . 5.480 4.802 4.497 5.055 . 0 0 "[ . 1 . 2]" 1
953 1 40 VAL H 1 77 VAL MG1 . . 5.500 5.032 4.500 5.483 . 0 0 "[ . 1 . 2]" 1
954 1 40 VAL HA 1 40 VAL MG1 . . 3.410 2.295 2.134 2.405 . 0 0 "[ . 1 . 2]" 1
955 1 40 VAL HA 1 40 VAL QG . . 2.960 2.095 2.018 2.156 . 0 0 "[ . 1 . 2]" 1
956 1 40 VAL HA 1 40 VAL MG2 . . 3.410 2.427 2.324 2.488 . 0 0 "[ . 1 . 2]" 1
957 1 40 VAL HA 1 41 THR H . . 2.840 2.211 2.142 2.302 . 0 0 "[ . 1 . 2]" 1
958 1 40 VAL HA 1 41 THR MG . . 4.640 3.878 3.469 4.056 . 0 0 "[ . 1 . 2]" 1
959 1 40 VAL HA 1 53 THR MG . . 5.130 4.274 4.139 4.602 . 0 0 "[ . 1 . 2]" 1
960 1 40 VAL HA 1 64 LEU MD2 . . 5.500 5.214 5.004 5.455 . 0 0 "[ . 1 . 2]" 1
961 1 40 VAL HA 1 76 ARG HB3 . . 5.500 4.617 4.317 5.282 . 0 0 "[ . 1 . 2]" 1
962 1 40 VAL HA 1 77 VAL HA . . 3.610 2.383 2.100 2.584 . 0 0 "[ . 1 . 2]" 1
963 1 40 VAL HA 1 77 VAL MG1 . . 4.520 3.915 3.612 4.190 . 0 0 "[ . 1 . 2]" 1
964 1 40 VAL HA 1 77 VAL MG2 . . 4.290 3.722 3.403 3.974 . 0 0 "[ . 1 . 2]" 1
965 1 40 VAL HA 1 78 THR H . . 3.760 2.735 2.333 3.028 . 0 0 "[ . 1 . 2]" 1
966 1 40 VAL HB 1 53 THR H . . 3.250 3.154 2.978 3.255 0.005 7 0 "[ . 1 . 2]" 1
967 1 40 VAL HB 1 53 THR HB . . 4.460 4.388 4.061 4.482 0.022 20 0 "[ . 1 . 2]" 1
968 1 40 VAL HB 1 53 THR MG . . 2.990 1.885 1.815 2.051 . 0 0 "[ . 1 . 2]" 1
969 1 40 VAL HB 1 64 LEU MD2 . . 3.770 3.326 3.116 3.709 . 0 0 "[ . 1 . 2]" 1
970 1 40 VAL QG 1 41 THR H . . 3.090 2.284 1.953 2.684 . 0 0 "[ . 1 . 2]" 1
971 1 40 VAL QG 1 42 TYR H . . 4.380 3.937 3.706 4.270 . 0 0 "[ . 1 . 2]" 1
972 1 40 VAL QG 1 42 TYR QD . . 3.530 2.831 2.362 3.116 . 0 0 "[ . 1 . 2]" 1
973 1 40 VAL QG 1 42 TYR QE . . 4.470 4.201 3.568 4.471 0.001 14 0 "[ . 1 . 2]" 1
974 1 40 VAL QG 1 53 THR H . . 4.870 3.702 3.510 3.840 . 0 0 "[ . 1 . 2]" 1
975 1 40 VAL QG 1 53 THR HB . . 5.380 4.596 4.420 4.700 . 0 0 "[ . 1 . 2]" 1
976 1 40 VAL QG 1 53 THR MG . . 2.960 2.461 2.329 2.661 . 0 0 "[ . 1 . 2]" 1
977 1 40 VAL QG 1 54 GLU H . . 5.440 5.329 4.925 5.443 0.003 9 0 "[ . 1 . 2]" 1
978 1 40 VAL QG 1 54 GLU HA . . 4.620 4.203 3.777 4.541 . 0 0 "[ . 1 . 2]" 1
979 1 40 VAL QG 1 55 ALA H . . 4.550 4.393 4.179 4.551 0.001 14 0 "[ . 1 . 2]" 1
980 1 40 VAL QG 1 55 ALA MB . . 3.910 3.361 3.158 3.618 . 0 0 "[ . 1 . 2]" 1
981 1 40 VAL QG 1 62 ALA H . . 5.440 4.787 4.229 5.308 . 0 0 "[ . 1 . 2]" 1
982 1 40 VAL QG 1 62 ALA MB . . 3.130 2.766 2.284 3.129 . 0 0 "[ . 1 . 2]" 1
983 1 40 VAL QG 1 64 LEU MD2 . . 2.860 2.258 1.910 2.517 . 0 0 "[ . 1 . 2]" 1
984 1 40 VAL QG 1 64 LEU HG . . 5.060 4.163 3.833 4.499 . 0 0 "[ . 1 . 2]" 1
985 1 40 VAL QG 1 76 ARG H . . 3.900 2.887 2.545 3.082 . 0 0 "[ . 1 . 2]" 1
986 1 40 VAL QG 1 76 ARG HB2 . . 5.440 4.742 4.359 5.005 . 0 0 "[ . 1 . 2]" 1
987 1 40 VAL QG 1 76 ARG HB3 . . 4.990 4.423 4.049 4.809 . 0 0 "[ . 1 . 2]" 1
988 1 40 VAL QG 1 77 VAL HA . . 3.750 2.196 1.983 2.420 . 0 0 "[ . 1 . 2]" 1
989 1 40 VAL QG 1 77 VAL HB . . 5.280 3.859 3.639 4.112 . 0 0 "[ . 1 . 2]" 1
990 1 40 VAL QG 1 77 VAL MG1 . . 3.200 2.244 1.897 2.532 . 0 0 "[ . 1 . 2]" 1
991 1 40 VAL QG 1 78 THR H . . 3.580 3.294 2.972 3.572 . 0 0 "[ . 1 . 2]" 1
992 1 40 VAL MG1 1 41 THR H . . 4.050 2.300 1.959 2.723 . 0 0 "[ . 1 . 2]" 1
993 1 40 VAL MG1 1 53 THR MG . . 3.520 2.902 2.637 3.325 . 0 0 "[ . 1 . 2]" 1
994 1 40 VAL MG1 1 62 ALA MB . . 4.120 3.713 3.138 4.118 . 0 0 "[ . 1 . 2]" 1
995 1 40 VAL MG1 1 77 VAL MG1 . . 4.040 3.687 3.246 4.015 . 0 0 "[ . 1 . 2]" 1
996 1 40 VAL MG1 1 77 VAL MG2 . . 3.230 2.283 1.948 2.740 . 0 0 "[ . 1 . 2]" 1
997 1 40 VAL MG1 1 78 THR H . . 4.410 4.191 3.695 4.409 . 0 0 "[ . 1 . 2]" 1
998 1 40 VAL MG2 1 41 THR H . . 4.050 3.993 3.840 4.061 0.011 17 0 "[ . 1 . 2]" 1
999 1 40 VAL MG2 1 53 THR MG . . 3.520 2.696 2.412 2.868 . 0 0 "[ . 1 . 2]" 1
1000 1 40 VAL MG2 1 62 ALA MB . . 4.120 2.858 2.347 3.287 . 0 0 "[ . 1 . 2]" 1
1001 1 40 VAL MG2 1 77 VAL MG1 . . 4.040 2.266 1.905 2.567 . 0 0 "[ . 1 . 2]" 1
1002 1 40 VAL MG2 1 77 VAL MG2 . . 3.230 2.286 1.945 2.979 . 0 0 "[ . 1 . 2]" 1
1003 1 40 VAL MG2 1 78 THR H . . 4.410 3.458 3.046 3.831 . 0 0 "[ . 1 . 2]" 1
1004 1 41 THR H 1 41 THR HB . . 4.060 3.804 3.730 3.927 . 0 0 "[ . 1 . 2]" 1
1005 1 41 THR H 1 41 THR MG . . 3.490 3.182 2.933 3.477 . 0 0 "[ . 1 . 2]" 1
1006 1 41 THR H 1 42 TYR H . . 4.330 4.182 3.989 4.320 . 0 0 "[ . 1 . 2]" 1
1007 1 41 THR H 1 76 ARG H . . 3.490 2.846 2.563 3.159 . 0 0 "[ . 1 . 2]" 1
1008 1 41 THR H 1 76 ARG HB2 . . 4.210 3.928 3.251 4.219 0.009 7 0 "[ . 1 . 2]" 1
1009 1 41 THR H 1 76 ARG HB3 . . 4.290 3.387 2.860 4.185 . 0 0 "[ . 1 . 2]" 1
1010 1 41 THR H 1 76 ARG QG . . 5.500 4.891 4.459 5.435 . 0 0 "[ . 1 . 2]" 1
1011 1 41 THR HA 1 41 THR MG . . 3.100 2.239 2.084 2.399 . 0 0 "[ . 1 . 2]" 1
1012 1 41 THR HA 1 42 TYR H . . 2.810 2.147 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
1013 1 41 THR HA 1 42 TYR QD . . 4.420 3.325 3.051 3.871 . 0 0 "[ . 1 . 2]" 1
1014 1 41 THR HA 1 52 GLN H . . 4.920 4.614 4.350 4.740 . 0 0 "[ . 1 . 2]" 1
1015 1 41 THR HA 1 52 GLN HA . . 3.360 2.271 2.156 2.339 . 0 0 "[ . 1 . 2]" 1
1016 1 41 THR HA 1 52 GLN HB2 . . 4.170 3.508 3.087 3.723 . 0 0 "[ . 1 . 2]" 1
1017 1 41 THR HA 1 52 GLN QG . . 4.220 3.636 3.283 3.917 . 0 0 "[ . 1 . 2]" 1
1018 1 41 THR HA 1 53 THR H . . 3.740 3.584 3.358 3.743 0.003 5 0 "[ . 1 . 2]" 1
1019 1 41 THR HB 1 42 TYR H . . 3.580 3.423 3.105 3.584 0.004 14 0 "[ . 1 . 2]" 1
1020 1 41 THR HB 1 51 GLY H . . 5.160 4.777 4.283 5.169 0.009 19 0 "[ . 1 . 2]" 1
1021 1 41 THR HB 1 52 GLN HA . . 4.560 4.242 3.686 4.487 . 0 0 "[ . 1 . 2]" 1
1022 1 41 THR HB 1 52 GLN HB2 . . 4.350 4.005 3.596 4.319 . 0 0 "[ . 1 . 2]" 1
1023 1 41 THR HB 1 76 ARG HB2 . . 5.010 4.624 4.134 5.009 . 0 0 "[ . 1 . 2]" 1
1024 1 41 THR HB 1 76 ARG HB3 . . 5.500 4.669 3.536 5.505 0.005 1 0 "[ . 1 . 2]" 1
1025 1 41 THR MG 1 42 TYR H . . 4.040 3.889 3.705 4.008 . 0 0 "[ . 1 . 2]" 1
1026 1 41 THR MG 1 50 SER QB . . 5.420 5.158 4.638 5.380 . 0 0 "[ . 1 . 2]" 1
1027 1 41 THR MG 1 51 GLY H . . 5.240 5.026 4.880 5.243 0.003 14 0 "[ . 1 . 2]" 1
1028 1 41 THR MG 1 52 GLN H . . 4.860 4.647 4.402 4.860 0.000 5 0 "[ . 1 . 2]" 1
1029 1 41 THR MG 1 52 GLN HA . . 3.620 2.545 2.167 2.883 . 0 0 "[ . 1 . 2]" 1
1030 1 41 THR MG 1 52 GLN HB2 . . 3.060 2.076 1.955 2.346 . 0 0 "[ . 1 . 2]" 1
1031 1 41 THR MG 1 52 GLN HG2 . . 4.040 3.374 2.488 3.757 . 0 0 "[ . 1 . 2]" 1
1032 1 41 THR MG 1 52 GLN QG . . 3.360 2.019 1.819 2.416 . 0 0 "[ . 1 . 2]" 1
1033 1 41 THR MG 1 52 GLN HG3 . . 4.040 2.042 1.831 2.446 . 0 0 "[ . 1 . 2]" 1
1034 1 41 THR MG 1 76 ARG H . . 5.500 5.212 5.002 5.442 . 0 0 "[ . 1 . 2]" 1
1035 1 41 THR MG 1 76 ARG HB3 . . 5.500 4.475 3.886 5.368 . 0 0 "[ . 1 . 2]" 1
1036 1 42 TYR H 1 42 TYR QD . . 3.590 2.351 1.934 2.701 . 0 0 "[ . 1 . 2]" 1
1037 1 42 TYR H 1 42 TYR QE . . 4.420 3.772 3.603 3.974 . 0 0 "[ . 1 . 2]" 1
1038 1 42 TYR H 1 43 VAL H . . 4.610 4.500 4.431 4.538 . 0 0 "[ . 1 . 2]" 1
1039 1 42 TYR H 1 43 VAL QG . . 5.440 5.056 4.938 5.179 . 0 0 "[ . 1 . 2]" 1
1040 1 42 TYR H 1 50 SER QB . . 4.800 4.551 4.187 4.780 . 0 0 "[ . 1 . 2]" 1
1041 1 42 TYR H 1 51 GLY QA . . 4.680 3.875 3.728 4.090 . 0 0 "[ . 1 . 2]" 1
1042 1 42 TYR H 1 52 GLN HA . . 3.670 3.559 3.212 3.672 0.002 13 0 "[ . 1 . 2]" 1
1043 1 42 TYR H 1 52 GLN HB2 . . 5.000 4.804 4.461 5.003 0.003 8 0 "[ . 1 . 2]" 1
1044 1 42 TYR H 1 53 THR H . . 5.000 4.838 4.526 5.002 0.002 13 0 "[ . 1 . 2]" 1
1045 1 42 TYR HA 1 42 TYR QD . . 4.150 3.677 3.617 3.729 . 0 0 "[ . 1 . 2]" 1
1046 1 42 TYR HA 1 43 VAL H . . 2.840 2.283 2.213 2.435 . 0 0 "[ . 1 . 2]" 1
1047 1 42 TYR HA 1 43 VAL MG1 . . 5.450 3.681 3.490 3.938 . 0 0 "[ . 1 . 2]" 1
1048 1 42 TYR HA 1 43 VAL QG . . 4.170 3.622 3.450 3.847 . 0 0 "[ . 1 . 2]" 1
1049 1 42 TYR HA 1 43 VAL MG2 . . 5.450 5.409 5.393 5.429 . 0 0 "[ . 1 . 2]" 1
1050 1 42 TYR HA 1 73 TYR QD . . 5.110 4.670 4.329 4.930 . 0 0 "[ . 1 . 2]" 1
1051 1 42 TYR HA 1 74 THR H . . 5.170 4.817 4.448 4.987 . 0 0 "[ . 1 . 2]" 1
1052 1 42 TYR HA 1 74 THR MG . . 4.860 4.770 4.656 4.864 0.004 13 0 "[ . 1 . 2]" 1
1053 1 42 TYR HA 1 75 VAL HA . . 3.650 2.205 2.002 2.389 . 0 0 "[ . 1 . 2]" 1
1054 1 42 TYR HA 1 75 VAL MG1 . . 4.810 3.696 3.431 3.942 . 0 0 "[ . 1 . 2]" 1
1055 1 42 TYR HA 1 75 VAL QG . . 3.760 3.135 2.826 3.313 . 0 0 "[ . 1 . 2]" 1
1056 1 42 TYR HA 1 75 VAL MG2 . . 4.810 3.395 3.004 3.683 . 0 0 "[ . 1 . 2]" 1
1057 1 42 TYR HA 1 76 ARG H . . 3.880 3.359 3.044 3.681 . 0 0 "[ . 1 . 2]" 1
1058 1 42 TYR HB2 1 43 VAL H . . 3.550 2.758 2.371 2.985 . 0 0 "[ . 1 . 2]" 1
1059 1 42 TYR HB2 1 64 LEU MD1 . . 4.490 3.388 2.976 3.624 . 0 0 "[ . 1 . 2]" 1
1060 1 42 TYR HB2 1 64 LEU MD2 . . 4.860 4.403 3.936 4.759 . 0 0 "[ . 1 . 2]" 1
1061 1 42 TYR HB2 1 73 TYR QD . . 4.360 2.811 2.550 3.024 . 0 0 "[ . 1 . 2]" 1
1062 1 42 TYR HB2 1 75 VAL HA . . 4.680 3.694 3.368 3.844 . 0 0 "[ . 1 . 2]" 1
1063 1 42 TYR HB2 1 75 VAL QG . . 3.900 2.953 2.585 3.386 . 0 0 "[ . 1 . 2]" 1
1064 1 42 TYR HB2 1 76 ARG H . . 5.500 5.362 5.068 5.502 0.002 12 0 "[ . 1 . 2]" 1
1065 1 42 TYR HB3 1 43 VAL H . . 3.920 3.805 3.516 3.917 . 0 0 "[ . 1 . 2]" 1
1066 1 42 TYR HB3 1 64 LEU MD1 . . 4.230 2.409 1.977 2.640 . 0 0 "[ . 1 . 2]" 1
1067 1 42 TYR HB3 1 64 LEU MD2 . . 4.770 3.232 2.735 3.648 . 0 0 "[ . 1 . 2]" 1
1068 1 42 TYR HB3 1 73 TYR QB . . 4.790 4.195 3.680 4.585 . 0 0 "[ . 1 . 2]" 1
1069 1 42 TYR HB3 1 73 TYR QD . . 4.790 4.516 4.222 4.706 . 0 0 "[ . 1 . 2]" 1
1070 1 42 TYR HB3 1 75 VAL HA . . 4.580 2.865 2.310 3.152 . 0 0 "[ . 1 . 2]" 1
1071 1 42 TYR HB3 1 75 VAL MG1 . . 4.370 3.054 2.775 3.328 . 0 0 "[ . 1 . 2]" 1
1072 1 42 TYR HB3 1 75 VAL QG . . 3.530 2.275 1.970 2.708 . 0 0 "[ . 1 . 2]" 1
1073 1 42 TYR HB3 1 75 VAL MG2 . . 4.370 2.360 2.012 2.960 . 0 0 "[ . 1 . 2]" 1
1074 1 42 TYR HB3 1 76 ARG H . . 4.590 4.126 3.792 4.268 . 0 0 "[ . 1 . 2]" 1
1075 1 42 TYR QD 1 43 VAL H . . 4.320 4.084 3.853 4.310 . 0 0 "[ . 1 . 2]" 1
1076 1 42 TYR QD 1 43 VAL HA . . 4.930 3.921 3.524 4.137 . 0 0 "[ . 1 . 2]" 1
1077 1 42 TYR QD 1 49 HIS HE1 . . 4.630 4.131 3.631 4.540 . 0 0 "[ . 1 . 2]" 1
1078 1 42 TYR QD 1 50 SER HA . . 4.600 3.698 3.012 4.138 . 0 0 "[ . 1 . 2]" 1
1079 1 42 TYR QD 1 51 GLY H . . 3.840 3.504 3.077 3.796 . 0 0 "[ . 1 . 2]" 1
1080 1 42 TYR QD 1 51 GLY QA . . 4.740 3.828 3.523 4.079 . 0 0 "[ . 1 . 2]" 1
1081 1 42 TYR QD 1 52 GLN H . . 5.430 4.893 4.480 5.304 . 0 0 "[ . 1 . 2]" 1
1082 1 42 TYR QD 1 52 GLN HA . . 4.550 4.015 3.355 4.420 . 0 0 "[ . 1 . 2]" 1
1083 1 42 TYR QD 1 53 THR H . . 4.720 4.223 3.661 4.523 . 0 0 "[ . 1 . 2]" 1
1084 1 42 TYR QD 1 53 THR MG . . 4.310 3.662 3.237 4.086 . 0 0 "[ . 1 . 2]" 1
1085 1 42 TYR QD 1 64 LEU MD1 . . 4.060 3.129 2.703 3.631 . 0 0 "[ . 1 . 2]" 1
1086 1 42 TYR QD 1 64 LEU MD2 . . 3.530 2.251 2.044 2.595 . 0 0 "[ . 1 . 2]" 1
1087 1 42 TYR QD 1 67 LEU QD . . 3.730 2.629 2.195 3.016 . 0 0 "[ . 1 . 2]" 1
1088 1 42 TYR QD 1 73 TYR QD . . 3.670 2.801 2.456 3.029 . 0 0 "[ . 1 . 2]" 1
1089 1 42 TYR QE 1 49 HIS HE1 . . 3.740 3.065 2.420 3.608 . 0 0 "[ . 1 . 2]" 1
1090 1 42 TYR QE 1 51 GLY H . . 4.130 3.843 3.344 4.121 . 0 0 "[ . 1 . 2]" 1
1091 1 42 TYR QE 1 51 GLY HA2 . . 4.510 4.262 3.997 4.499 . 0 0 "[ . 1 . 2]" 1
1092 1 42 TYR QE 1 51 GLY QA . . 3.830 2.878 2.571 3.108 . 0 0 "[ . 1 . 2]" 1
1093 1 42 TYR QE 1 51 GLY HA3 . . 4.510 2.926 2.603 3.168 . 0 0 "[ . 1 . 2]" 1
1094 1 42 TYR QE 1 52 GLN H . . 4.090 3.495 2.914 4.082 . 0 0 "[ . 1 . 2]" 1
1095 1 42 TYR QE 1 52 GLN HA . . 4.510 3.725 3.056 4.110 . 0 0 "[ . 1 . 2]" 1
1096 1 42 TYR QE 1 53 THR H . . 4.400 3.602 3.187 4.068 . 0 0 "[ . 1 . 2]" 1
1097 1 42 TYR QE 1 53 THR HB . . 4.500 3.186 2.803 3.459 . 0 0 "[ . 1 . 2]" 1
1098 1 42 TYR QE 1 53 THR MG . . 4.060 3.193 2.745 3.465 . 0 0 "[ . 1 . 2]" 1
1099 1 42 TYR QE 1 64 LEU HA . . 4.830 3.948 3.077 4.333 . 0 0 "[ . 1 . 2]" 1
1100 1 42 TYR QE 1 64 LEU HB3 . . 4.880 3.608 3.135 4.093 . 0 0 "[ . 1 . 2]" 1
1101 1 42 TYR QE 1 64 LEU MD2 . . 3.670 2.557 2.174 2.988 . 0 0 "[ . 1 . 2]" 1
1102 1 42 TYR QE 1 65 GLY H . . 4.080 3.584 2.852 3.921 . 0 0 "[ . 1 . 2]" 1
1103 1 42 TYR QE 1 65 GLY QA . . 5.200 4.065 3.348 4.595 . 0 0 "[ . 1 . 2]" 1
1104 1 42 TYR QE 1 67 LEU QD . . 3.600 2.663 2.082 3.121 . 0 0 "[ . 1 . 2]" 1
1105 1 42 TYR QE 1 73 TYR QD . . 5.060 4.870 4.538 5.057 . 0 0 "[ . 1 . 2]" 1
1106 1 43 VAL H 1 43 VAL HB . . 3.500 3.310 3.195 3.429 . 0 0 "[ . 1 . 2]" 1
1107 1 43 VAL H 1 43 VAL MG1 . . 4.030 2.435 2.211 2.627 . 0 0 "[ . 1 . 2]" 1
1108 1 43 VAL H 1 43 VAL QG . . 3.060 2.414 2.200 2.594 . 0 0 "[ . 1 . 2]" 1
1109 1 43 VAL H 1 43 VAL MG2 . . 4.030 3.978 3.925 4.027 . 0 0 "[ . 1 . 2]" 1
1110 1 43 VAL H 1 44 SER H . . 4.790 4.344 4.251 4.407 . 0 0 "[ . 1 . 2]" 1
1111 1 43 VAL H 1 50 SER HA . . 4.750 4.628 4.464 4.751 0.001 16 0 "[ . 1 . 2]" 1
1112 1 43 VAL H 1 51 GLY H . . 5.030 4.969 4.755 5.030 0.000 6 0 "[ . 1 . 2]" 1
1113 1 43 VAL H 1 73 TYR QB . . 4.980 3.555 3.248 3.909 . 0 0 "[ . 1 . 2]" 1
1114 1 43 VAL H 1 73 TYR QD . . 3.690 3.259 2.886 3.680 . 0 0 "[ . 1 . 2]" 1
1115 1 43 VAL H 1 74 THR H . . 3.430 3.000 2.700 3.135 . 0 0 "[ . 1 . 2]" 1
1116 1 43 VAL H 1 74 THR HB . . 4.010 3.491 3.245 3.749 . 0 0 "[ . 1 . 2]" 1
1117 1 43 VAL H 1 74 THR MG . . 4.640 4.498 4.327 4.634 . 0 0 "[ . 1 . 2]" 1
1118 1 43 VAL H 1 75 VAL H . . 5.430 4.778 4.519 4.892 . 0 0 "[ . 1 . 2]" 1
1119 1 43 VAL H 1 75 VAL HA . . 3.830 3.736 3.534 3.835 0.005 4 0 "[ . 1 . 2]" 1
1120 1 43 VAL H 1 75 VAL MG1 . . 5.500 5.333 5.119 5.490 . 0 0 "[ . 1 . 2]" 1
1121 1 43 VAL H 1 75 VAL QG . . 4.210 3.954 3.733 4.144 . 0 0 "[ . 1 . 2]" 1
1122 1 43 VAL H 1 75 VAL MG2 . . 5.500 4.077 3.827 4.302 . 0 0 "[ . 1 . 2]" 1
1123 1 43 VAL HA 1 43 VAL MG1 . . 3.490 3.197 3.180 3.203 . 0 0 "[ . 1 . 2]" 1
1124 1 43 VAL HA 1 43 VAL QG . . 3.010 2.215 2.123 2.328 . 0 0 "[ . 1 . 2]" 1
1125 1 43 VAL HA 1 43 VAL MG2 . . 3.490 2.260 2.155 2.391 . 0 0 "[ . 1 . 2]" 1
1126 1 43 VAL HA 1 44 SER H . . 2.850 2.259 2.218 2.357 . 0 0 "[ . 1 . 2]" 1
1127 1 43 VAL HA 1 44 SER QB . . 4.570 4.283 4.082 4.588 0.018 12 0 "[ . 1 . 2]" 1
1128 1 43 VAL HA 1 50 SER HA . . 3.420 2.180 2.002 2.349 . 0 0 "[ . 1 . 2]" 1
1129 1 43 VAL HA 1 50 SER QB . . 3.860 2.664 2.237 3.000 . 0 0 "[ . 1 . 2]" 1
1130 1 43 VAL HA 1 51 GLY H . . 3.860 3.713 3.374 3.862 0.002 8 0 "[ . 1 . 2]" 1
1131 1 43 VAL HA 1 74 THR H . . 4.960 4.826 4.662 4.945 . 0 0 "[ . 1 . 2]" 1
1132 1 43 VAL HB 1 44 SER H . . 4.100 4.003 3.818 4.100 . 0 0 "[ . 1 . 2]" 1
1133 1 43 VAL HB 1 50 SER HA . . 4.380 3.747 3.410 4.065 . 0 0 "[ . 1 . 2]" 1
1134 1 43 VAL HB 1 50 SER QB . . 3.930 2.515 2.003 2.836 . 0 0 "[ . 1 . 2]" 1
1135 1 43 VAL HB 1 51 GLY H . . 4.590 4.432 4.105 4.583 . 0 0 "[ . 1 . 2]" 1
1136 1 43 VAL HB 1 74 THR HB . . 4.650 4.564 4.382 4.654 0.004 13 0 "[ . 1 . 2]" 1
1137 1 43 VAL HB 1 74 THR MG . . 5.500 5.397 5.164 5.501 0.001 13 0 "[ . 1 . 2]" 1
1138 1 43 VAL QG 1 44 SER H . . 2.990 1.989 1.868 2.247 . 0 0 "[ . 1 . 2]" 1
1139 1 43 VAL QG 1 44 SER HA . . 4.430 3.708 3.562 3.790 . 0 0 "[ . 1 . 2]" 1
1140 1 43 VAL QG 1 44 SER QB . . 4.310 3.479 3.136 3.801 . 0 0 "[ . 1 . 2]" 1
1141 1 43 VAL QG 1 45 SER HA . . 4.430 4.045 3.191 4.356 . 0 0 "[ . 1 . 2]" 1
1142 1 43 VAL QG 1 47 GLY QA . . 3.380 2.614 1.962 3.380 . 10 0 "[ . 1 . 2]" 1
1143 1 43 VAL QG 1 48 GLY H . . 3.980 2.980 2.054 3.588 . 0 0 "[ . 1 . 2]" 1
1144 1 43 VAL QG 1 50 SER H . . 4.810 4.244 3.896 4.534 . 0 0 "[ . 1 . 2]" 1
1145 1 43 VAL QG 1 50 SER HA . . 3.740 3.225 2.955 3.427 . 0 0 "[ . 1 . 2]" 1
1146 1 43 VAL QG 1 50 SER QB . . 3.000 2.047 1.873 2.742 . 0 0 "[ . 1 . 2]" 1
1147 1 43 VAL QG 1 51 GLY H . . 5.440 4.494 4.313 4.662 . 0 0 "[ . 1 . 2]" 1
1148 1 43 VAL QG 1 73 TYR QD . . 4.860 4.158 3.975 4.455 . 0 0 "[ . 1 . 2]" 1
1149 1 43 VAL QG 1 74 THR H . . 4.110 2.711 2.385 3.036 . 0 0 "[ . 1 . 2]" 1
1150 1 43 VAL QG 1 74 THR HB . . 3.370 1.995 1.875 2.104 . 0 0 "[ . 1 . 2]" 1
1151 1 43 VAL MG1 1 44 SER H . . 3.690 3.631 3.520 3.691 0.001 7 0 "[ . 1 . 2]" 1
1152 1 43 VAL MG1 1 44 SER HA . . 5.170 4.297 4.109 4.408 . 0 0 "[ . 1 . 2]" 1
1153 1 43 VAL MG1 1 48 GLY H . . 5.500 5.167 4.007 5.501 0.001 20 0 "[ . 1 . 2]" 1
1154 1 43 VAL MG1 1 50 SER HA . . 5.070 4.814 4.644 4.952 . 0 0 "[ . 1 . 2]" 1
1155 1 43 VAL MG1 1 50 SER QB . . 4.090 3.847 3.553 4.089 . 0 0 "[ . 1 . 2]" 1
1156 1 43 VAL MG1 1 74 THR HB . . 4.830 1.998 1.877 2.108 . 0 0 "[ . 1 . 2]" 1
1157 1 43 VAL MG2 1 44 SER H . . 3.690 1.998 1.875 2.267 . 0 0 "[ . 1 . 2]" 1
1158 1 43 VAL MG2 1 44 SER HA . . 5.170 4.058 3.831 4.223 . 0 0 "[ . 1 . 2]" 1
1159 1 43 VAL MG2 1 48 GLY H . . 5.500 3.001 2.060 3.637 . 0 0 "[ . 1 . 2]" 1
1160 1 43 VAL MG2 1 50 SER HA . . 5.070 3.278 2.987 3.505 . 0 0 "[ . 1 . 2]" 1
1161 1 43 VAL MG2 1 50 SER QB . . 4.090 2.056 1.879 2.785 . 0 0 "[ . 1 . 2]" 1
1162 1 43 VAL MG2 1 74 THR HB . . 4.830 4.435 4.190 4.638 . 0 0 "[ . 1 . 2]" 1
1163 1 44 SER H 1 44 SER HB2 . . 3.750 3.123 2.454 3.653 . 0 0 "[ . 1 . 2]" 1
1164 1 44 SER H 1 44 SER QB . . 3.140 2.399 2.201 2.674 . 0 0 "[ . 1 . 2]" 1
1165 1 44 SER H 1 44 SER HB3 . . 3.750 2.610 2.242 3.593 . 0 0 "[ . 1 . 2]" 1
1166 1 44 SER H 1 45 SER H . . 5.240 4.417 3.015 4.638 . 0 0 "[ . 1 . 2]" 1
1167 1 44 SER H 1 49 HIS H . . 4.230 3.842 3.098 4.236 0.006 20 0 "[ . 1 . 2]" 1
1168 1 44 SER H 1 49 HIS HB3 . . 4.480 4.161 3.585 4.460 . 0 0 "[ . 1 . 2]" 1
1169 1 44 SER H 1 50 SER HA . . 3.940 3.608 3.250 3.810 . 0 0 "[ . 1 . 2]" 1
1170 1 44 SER H 1 50 SER QB . . 4.370 3.734 3.361 4.383 0.013 4 0 "[ . 1 . 2]" 1
1171 1 44 SER H 1 71 THR MG . . 5.500 5.329 4.978 5.506 0.006 13 0 "[ . 1 . 2]" 1
1172 1 44 SER H 1 73 TYR QD . . 4.210 3.824 3.439 4.125 . 0 0 "[ . 1 . 2]" 1
1173 1 44 SER H 1 74 THR H . . 5.200 4.904 4.812 4.984 . 0 0 "[ . 1 . 2]" 1
1174 1 44 SER HA 1 71 THR MG . . 3.930 3.294 2.930 3.484 . 0 0 "[ . 1 . 2]" 1
1175 1 44 SER HA 1 73 TYR QB . . 4.790 3.985 3.667 4.342 . 0 0 "[ . 1 . 2]" 1
1176 1 44 SER HA 1 73 TYR QD . . 4.520 3.161 2.898 3.474 . 0 0 "[ . 1 . 2]" 1
1177 1 44 SER HA 1 74 THR H . . 3.950 3.837 3.440 3.955 0.005 20 0 "[ . 1 . 2]" 1
1178 1 44 SER QB 1 49 HIS H . . 4.290 2.966 1.958 3.616 . 0 0 "[ . 1 . 2]" 1
1179 1 44 SER QB 1 49 HIS HB2 . . 5.060 4.483 3.948 4.915 . 0 0 "[ . 1 . 2]" 1
1180 1 44 SER QB 1 49 HIS HB3 . . 3.810 2.971 2.546 3.704 . 0 0 "[ . 1 . 2]" 1
1181 1 44 SER QB 1 71 THR HB . . 5.340 5.051 4.367 5.341 0.001 5 0 "[ . 1 . 2]" 1
1182 1 44 SER QB 1 71 THR MG . . 3.370 2.942 2.472 3.280 . 0 0 "[ . 1 . 2]" 1
1183 1 44 SER QB 1 73 TYR QD . . 4.340 3.967 3.569 4.341 0.001 6 0 "[ . 1 . 2]" 1
1184 1 44 SER HB2 1 49 HIS HB3 . . 4.420 3.836 3.028 4.420 . 0 0 "[ . 1 . 2]" 1
1185 1 44 SER HB2 1 71 THR MG . . 4.170 3.196 2.504 4.168 . 0 0 "[ . 1 . 2]" 1
1186 1 44 SER HB3 1 49 HIS HB3 . . 4.420 3.356 2.569 4.410 . 0 0 "[ . 1 . 2]" 1
1187 1 44 SER HB3 1 71 THR MG . . 4.170 3.812 2.642 4.173 0.003 18 0 "[ . 1 . 2]" 1
1188 1 45 SER HA 1 46 GLU HA . . 5.190 4.599 4.355 4.905 . 0 0 "[ . 1 . 2]" 1
1189 1 45 SER HA 1 72 THR MG . . 5.170 4.233 3.421 4.895 . 0 0 "[ . 1 . 2]" 1
1190 1 45 SER QB 1 71 THR MG . . 4.560 3.087 2.299 4.024 . 0 0 "[ . 1 . 2]" 1
1191 1 45 SER QB 1 72 THR H . . 4.650 3.330 2.572 4.652 0.002 20 0 "[ . 1 . 2]" 1
1192 1 45 SER QB 1 72 THR MG . . 3.920 3.682 3.373 3.921 0.001 18 0 "[ . 1 . 2]" 1
1193 1 45 SER HB2 1 46 GLU QG . . 4.880 4.482 3.226 4.880 . 0 0 "[ . 1 . 2]" 1
1194 1 45 SER HB3 1 46 GLU QG . . 4.880 3.798 2.602 4.878 . 0 0 "[ . 1 . 2]" 1
1195 1 46 GLU H 1 46 GLU QG . . 4.600 2.384 1.883 3.399 . 0 0 "[ . 1 . 2]" 1
1196 1 46 GLU HA 1 46 GLU QG . . 3.380 2.976 2.365 3.412 0.032 19 0 "[ . 1 . 2]" 1
1197 1 46 GLU HA 1 47 GLY QA . . 5.340 4.049 3.896 4.293 . 0 0 "[ . 1 . 2]" 1
1198 1 49 HIS H 1 49 HIS HB3 . . 3.500 2.367 2.215 2.608 . 0 0 "[ . 1 . 2]" 1
1199 1 49 HIS H 1 50 SER H . . 4.750 4.424 4.178 4.611 . 0 0 "[ . 1 . 2]" 1
1200 1 49 HIS HA 1 49 HIS HD2 . . 3.620 2.914 2.475 3.147 . 0 0 "[ . 1 . 2]" 1
1201 1 49 HIS HA 1 50 SER H . . 2.870 2.165 2.139 2.272 . 0 0 "[ . 1 . 2]" 1
1202 1 49 HIS HB2 1 50 SER H . . 4.620 4.121 3.824 4.454 . 0 0 "[ . 1 . 2]" 1
1203 1 49 HIS HB3 1 50 SER H . . 5.050 4.362 3.953 4.569 . 0 0 "[ . 1 . 2]" 1
1204 1 49 HIS HD2 1 50 SER H . . 3.480 2.948 2.092 3.480 0.000 12 0 "[ . 1 . 2]" 1
1205 1 49 HIS HE1 1 67 LEU HA . . 3.450 2.693 2.196 3.133 . 0 0 "[ . 1 . 2]" 1
1206 1 49 HIS HE1 1 67 LEU QD . . 3.580 2.527 1.995 3.232 . 0 0 "[ . 1 . 2]" 1
1207 1 49 HIS HE1 1 68 SER H . . 4.980 4.680 4.179 4.957 . 0 0 "[ . 1 . 2]" 1
1208 1 50 SER H 1 50 SER QB . . 3.610 3.043 2.526 3.272 . 0 0 "[ . 1 . 2]" 1
1209 1 50 SER H 1 51 GLY H . . 4.560 4.420 4.331 4.527 . 0 0 "[ . 1 . 2]" 1
1210 1 50 SER HA 1 51 GLY H . . 2.830 2.349 2.239 2.522 . 0 0 "[ . 1 . 2]" 1
1211 1 50 SER HA 1 51 GLY HA2 . . 4.930 4.466 4.385 4.549 . 0 0 "[ . 1 . 2]" 1
1212 1 50 SER HA 1 51 GLY HA3 . . 4.930 4.317 4.303 4.353 . 0 0 "[ . 1 . 2]" 1
1213 1 50 SER HA 1 73 TYR QD . . 4.860 4.560 4.007 4.852 . 0 0 "[ . 1 . 2]" 1
1214 1 50 SER QB 1 51 GLY H . . 3.410 2.618 2.170 3.347 . 0 0 "[ . 1 . 2]" 1
1215 1 50 SER QB 1 51 GLY QA . . 4.790 4.011 3.667 4.374 . 0 0 "[ . 1 . 2]" 1
1216 1 51 GLY H 1 52 GLN H . . 4.530 4.376 4.274 4.436 . 0 0 "[ . 1 . 2]" 1
1217 1 51 GLY H 1 52 GLN HA . . 5.070 4.848 4.762 5.023 . 0 0 "[ . 1 . 2]" 1
1218 1 51 GLY QA 1 52 GLN HB2 . . 4.830 4.100 3.993 4.188 . 0 0 "[ . 1 . 2]" 1
1219 1 51 GLY HA2 1 52 GLN H . . 2.910 2.616 2.378 2.807 . 0 0 "[ . 1 . 2]" 1
1220 1 51 GLY HA2 1 52 GLN HB2 . . 5.500 4.365 4.265 4.476 . 0 0 "[ . 1 . 2]" 1
1221 1 51 GLY HA2 1 52 GLN HB3 . . 5.500 4.316 4.191 4.511 . 0 0 "[ . 1 . 2]" 1
1222 1 51 GLY HA3 1 52 GLN H . . 2.910 2.518 2.347 2.765 . 0 0 "[ . 1 . 2]" 1
1223 1 51 GLY HA3 1 52 GLN HB2 . . 5.500 4.979 4.811 5.191 . 0 0 "[ . 1 . 2]" 1
1224 1 51 GLY HA3 1 52 GLN HB3 . . 5.500 5.055 4.895 5.337 . 0 0 "[ . 1 . 2]" 1
1225 1 52 GLN H 1 52 GLN HB3 . . 3.420 2.968 2.746 3.110 . 0 0 "[ . 1 . 2]" 1
1226 1 52 GLN H 1 52 GLN QG . . 4.590 4.131 4.050 4.355 . 0 0 "[ . 1 . 2]" 1
1227 1 52 GLN H 1 53 THR H . . 4.230 3.961 3.739 4.239 0.009 5 0 "[ . 1 . 2]" 1
1228 1 52 GLN HA 1 52 GLN HG2 . . 4.230 3.128 2.536 3.378 . 0 0 "[ . 1 . 2]" 1
1229 1 52 GLN HA 1 52 GLN HG3 . . 4.230 2.724 2.461 3.607 . 0 0 "[ . 1 . 2]" 1
1230 1 52 GLN HA 1 53 THR H . . 2.830 2.148 2.138 2.255 . 0 0 "[ . 1 . 2]" 1
1231 1 52 GLN HA 1 53 THR HB . . 4.830 4.558 4.418 4.678 . 0 0 "[ . 1 . 2]" 1
1232 1 52 GLN HA 1 53 THR MG . . 4.220 3.851 3.452 4.186 . 0 0 "[ . 1 . 2]" 1
1233 1 52 GLN HB2 1 52 GLN QE . . 4.430 3.262 2.015 4.133 . 0 0 "[ . 1 . 2]" 1
1234 1 52 GLN HB2 1 52 GLN HE22 . . 5.230 4.228 3.496 4.815 . 0 0 "[ . 1 . 2]" 1
1235 1 52 GLN HB2 1 52 GLN QG . . 2.610 2.314 2.141 2.430 . 0 0 "[ . 1 . 2]" 1
1236 1 52 GLN HB2 1 53 THR H . . 4.660 4.259 3.903 4.423 . 0 0 "[ . 1 . 2]" 1
1237 1 52 GLN HB3 1 52 GLN HE22 . . 5.500 4.188 3.554 4.822 . 0 0 "[ . 1 . 2]" 1
1238 1 52 GLN HB3 1 53 THR H . . 5.060 4.331 3.988 4.423 . 0 0 "[ . 1 . 2]" 1
1239 1 52 GLN QG 1 53 THR H . . 3.680 2.955 2.062 3.208 . 0 0 "[ . 1 . 2]" 1
1240 1 52 GLN HG2 1 53 THR H . . 4.300 3.317 2.071 3.947 . 0 0 "[ . 1 . 2]" 1
1241 1 52 GLN HG2 1 53 THR MG . . 5.500 4.871 3.998 5.270 . 0 0 "[ . 1 . 2]" 1
1242 1 52 GLN HG3 1 53 THR H . . 4.300 3.433 2.928 3.800 . 0 0 "[ . 1 . 2]" 1
1243 1 52 GLN HG3 1 53 THR MG . . 5.500 5.019 4.595 5.502 0.002 5 0 "[ . 1 . 2]" 1
1244 1 53 THR H 1 53 THR HB . . 3.740 3.018 2.799 3.359 . 0 0 "[ . 1 . 2]" 1
1245 1 53 THR H 1 53 THR MG . . 3.220 2.192 1.940 2.401 . 0 0 "[ . 1 . 2]" 1
1246 1 53 THR H 1 54 GLU H . . 4.600 4.473 4.390 4.536 . 0 0 "[ . 1 . 2]" 1
1247 1 53 THR H 1 64 LEU MD2 . . 5.240 4.312 3.850 4.678 . 0 0 "[ . 1 . 2]" 1
1248 1 53 THR HB 1 54 GLU H . . 4.160 3.965 3.713 4.256 0.096 20 0 "[ . 1 . 2]" 1
1249 1 53 THR HB 1 62 ALA MB . . 5.370 5.036 4.540 5.319 . 0 0 "[ . 1 . 2]" 1
1250 1 53 THR HB 1 64 LEU MD2 . . 4.050 3.684 3.116 4.015 . 0 0 "[ . 1 . 2]" 1
1251 1 53 THR MG 1 54 GLU H . . 3.730 3.514 3.002 3.732 0.002 16 0 "[ . 1 . 2]" 1
1252 1 53 THR MG 1 54 GLU HA . . 4.440 3.779 3.374 3.969 . 0 0 "[ . 1 . 2]" 1
1253 1 53 THR MG 1 55 ALA H . . 4.830 4.713 4.484 4.846 0.016 20 0 "[ . 1 . 2]" 1
1254 1 53 THR MG 1 55 ALA MB . . 4.050 3.699 3.286 3.936 . 0 0 "[ . 1 . 2]" 1
1255 1 53 THR MG 1 63 MET H . . 4.860 4.613 3.811 4.858 . 0 0 "[ . 1 . 2]" 1
1256 1 53 THR MG 1 64 LEU HA . . 4.480 4.267 3.961 4.478 . 0 0 "[ . 1 . 2]" 1
1257 1 53 THR MG 1 64 LEU HB3 . . 5.500 4.977 4.542 5.273 . 0 0 "[ . 1 . 2]" 1
1258 1 53 THR MG 1 64 LEU MD2 . . 3.310 2.422 2.122 2.626 . 0 0 "[ . 1 . 2]" 1
1259 1 54 GLU H 1 54 GLU QB . . 3.040 2.384 2.250 2.570 . 0 0 "[ . 1 . 2]" 1
1260 1 54 GLU H 1 54 GLU HG2 . . 4.610 4.345 3.808 4.549 . 0 0 "[ . 1 . 2]" 1
1261 1 54 GLU H 1 54 GLU QG . . 3.920 3.506 3.000 4.062 0.142 20 0 "[ . 1 . 2]" 1
1262 1 54 GLU H 1 54 GLU HG3 . . 4.610 3.761 3.084 4.690 0.080 20 0 "[ . 1 . 2]" 1
1263 1 54 GLU H 1 55 ALA H . . 4.720 4.474 4.400 4.545 . 0 0 "[ . 1 . 2]" 1
1264 1 54 GLU HA 1 54 GLU HG2 . . 4.040 2.828 2.263 3.646 . 0 0 "[ . 1 . 2]" 1
1265 1 54 GLU HA 1 54 GLU QG . . 3.490 2.338 2.195 2.794 . 0 0 "[ . 1 . 2]" 1
1266 1 54 GLU HA 1 54 GLU HG3 . . 4.040 2.787 2.217 3.864 . 0 0 "[ . 1 . 2]" 1
1267 1 54 GLU HA 1 55 ALA H . . 2.860 2.231 2.163 2.357 . 0 0 "[ . 1 . 2]" 1
1268 1 54 GLU HA 1 55 ALA MB . . 4.160 3.821 3.747 3.934 . 0 0 "[ . 1 . 2]" 1
1269 1 54 GLU QB 1 55 ALA H . . 3.290 2.980 2.594 3.328 0.038 20 0 "[ . 1 . 2]" 1
1270 1 54 GLU QG 1 55 ALA H . . 3.860 3.485 1.907 3.882 0.022 14 0 "[ . 1 . 2]" 1
1271 1 55 ALA H 1 55 ALA MB . . 3.180 2.610 2.489 2.703 . 0 0 "[ . 1 . 2]" 1
1272 1 55 ALA H 1 56 PRO HD2 . . 5.050 4.800 4.772 4.811 . 0 0 "[ . 1 . 2]" 1
1273 1 55 ALA H 1 56 PRO HD3 . . 5.050 4.921 4.844 4.992 . 0 0 "[ . 1 . 2]" 1
1274 1 55 ALA H 1 59 ALA MB . . 5.390 5.119 4.705 5.339 . 0 0 "[ . 1 . 2]" 1
1275 1 55 ALA HA 1 56 PRO HB3 . . 4.880 4.857 4.843 4.889 0.009 20 0 "[ . 1 . 2]" 1
1276 1 55 ALA HA 1 56 PRO HD2 . . 3.260 2.448 2.380 2.581 . 0 0 "[ . 1 . 2]" 1
1277 1 55 ALA HA 1 56 PRO QD . . 2.850 2.119 2.078 2.202 . 0 0 "[ . 1 . 2]" 1
1278 1 55 ALA HA 1 56 PRO HD3 . . 3.260 2.321 2.292 2.388 . 0 0 "[ . 1 . 2]" 1
1279 1 55 ALA HA 1 56 PRO HG2 . . 5.290 4.552 4.496 4.662 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ALA HA 1 56 PRO HG3 . . 4.910 4.502 4.459 4.591 . 0 0 "[ . 1 . 2]" 1
1281 1 55 ALA HA 1 59 ALA MB . . 4.250 3.873 3.644 4.189 . 0 0 "[ . 1 . 2]" 1
1282 1 55 ALA MB 1 56 PRO HA . . 4.610 4.391 4.330 4.442 . 0 0 "[ . 1 . 2]" 1
1283 1 55 ALA MB 1 56 PRO HD2 . . 3.290 2.086 1.922 2.214 . 0 0 "[ . 1 . 2]" 1
1284 1 55 ALA MB 1 56 PRO QD . . 2.830 2.060 1.901 2.180 . 0 0 "[ . 1 . 2]" 1
1285 1 55 ALA MB 1 56 PRO HD3 . . 3.290 3.204 3.009 3.271 . 0 0 "[ . 1 . 2]" 1
1286 1 55 ALA MB 1 56 PRO HG2 . . 3.920 3.715 3.562 3.841 . 0 0 "[ . 1 . 2]" 1
1287 1 55 ALA MB 1 56 PRO HG3 . . 4.910 4.400 4.233 4.490 . 0 0 "[ . 1 . 2]" 1
1288 1 55 ALA MB 1 59 ALA H . . 4.440 4.131 3.885 4.306 . 0 0 "[ . 1 . 2]" 1
1289 1 55 ALA MB 1 59 ALA HA . . 4.960 4.702 4.316 4.959 . 0 0 "[ . 1 . 2]" 1
1290 1 55 ALA MB 1 59 ALA MB . . 2.860 2.180 1.901 2.436 . 0 0 "[ . 1 . 2]" 1
1291 1 55 ALA MB 1 61 SER H . . 4.980 4.711 4.511 4.903 . 0 0 "[ . 1 . 2]" 1
1292 1 56 PRO HA 1 57 GLY H . . 2.950 2.245 2.206 2.311 . 0 0 "[ . 1 . 2]" 1
1293 1 56 PRO HA 1 57 GLY HA2 . . 4.680 4.330 4.318 4.340 . 0 0 "[ . 1 . 2]" 1
1294 1 56 PRO HA 1 57 GLY HA3 . . 4.680 4.450 4.430 4.485 . 0 0 "[ . 1 . 2]" 1
1295 1 56 PRO HA 1 58 ASN H . . 4.250 3.790 3.732 3.932 . 0 0 "[ . 1 . 2]" 1
1296 1 56 PRO HA 1 59 ALA H . . 4.860 4.574 4.382 4.867 0.007 9 0 "[ . 1 . 2]" 1
1297 1 56 PRO HA 1 59 ALA MB . . 4.550 4.351 4.154 4.472 . 0 0 "[ . 1 . 2]" 1
1298 1 56 PRO HB2 1 57 GLY H . . 3.550 3.087 2.869 3.232 . 0 0 "[ . 1 . 2]" 1
1299 1 56 PRO HB2 1 58 ASN H . . 3.370 2.238 2.173 2.299 . 0 0 "[ . 1 . 2]" 1
1300 1 56 PRO HB2 1 59 ALA H . . 4.420 3.241 2.791 3.830 . 0 0 "[ . 1 . 2]" 1
1301 1 56 PRO HB3 1 57 GLY H . . 3.900 3.720 3.592 3.807 . 0 0 "[ . 1 . 2]" 1
1302 1 56 PRO HB3 1 58 ASN H . . 3.960 3.916 3.866 3.961 0.001 4 0 "[ . 1 . 2]" 1
1303 1 56 PRO HB3 1 59 ALA H . . 5.310 4.683 4.273 5.265 . 0 0 "[ . 1 . 2]" 1
1304 1 56 PRO HB3 1 59 ALA MB . . 4.480 4.352 4.194 4.478 . 0 0 "[ . 1 . 2]" 1
1305 1 56 PRO QD 1 59 ALA H . . 4.450 3.899 3.614 4.333 . 0 0 "[ . 1 . 2]" 1
1306 1 56 PRO QD 1 59 ALA MB . . 3.250 2.099 1.981 2.302 . 0 0 "[ . 1 . 2]" 1
1307 1 56 PRO HD2 1 59 ALA MB . . 3.910 2.116 1.995 2.326 . 0 0 "[ . 1 . 2]" 1
1308 1 56 PRO HD3 1 59 ALA MB . . 3.910 3.496 3.326 3.671 . 0 0 "[ . 1 . 2]" 1
1309 1 56 PRO HG2 1 57 GLY H . . 4.950 4.741 4.606 4.824 . 0 0 "[ . 1 . 2]" 1
1310 1 56 PRO HG2 1 58 ASN H . . 4.970 3.409 3.243 3.553 . 0 0 "[ . 1 . 2]" 1
1311 1 56 PRO HG2 1 59 ALA H . . 3.690 2.570 2.126 3.271 . 0 0 "[ . 1 . 2]" 1
1312 1 56 PRO HG2 1 59 ALA MB . . 3.430 1.996 1.822 2.175 . 0 0 "[ . 1 . 2]" 1
1313 1 57 GLY H 1 58 ASN H . . 3.800 2.761 2.696 2.824 . 0 0 "[ . 1 . 2]" 1
1314 1 57 GLY QA 1 59 ALA H . . 4.040 3.739 3.397 4.041 0.001 16 0 "[ . 1 . 2]" 1
1315 1 57 GLY HA2 1 59 ALA H . . 4.890 3.953 3.543 4.324 . 0 0 "[ . 1 . 2]" 1
1316 1 57 GLY HA3 1 59 ALA H . . 4.890 4.627 4.335 4.866 . 0 0 "[ . 1 . 2]" 1
1317 1 58 ASN H 1 58 ASN HB2 . . 3.800 2.893 2.306 3.651 . 0 0 "[ . 1 . 2]" 1
1318 1 58 ASN H 1 58 ASN QB . . 3.190 2.511 2.195 3.022 . 0 0 "[ . 1 . 2]" 1
1319 1 58 ASN H 1 58 ASN HB3 . . 3.800 3.154 2.246 3.718 . 0 0 "[ . 1 . 2]" 1
1320 1 58 ASN H 1 58 ASN QD . . 4.590 3.287 2.166 4.539 . 0 0 "[ . 1 . 2]" 1
1321 1 58 ASN H 1 59 ALA H . . 3.100 2.340 2.238 2.562 . 0 0 "[ . 1 . 2]" 1
1322 1 58 ASN H 1 59 ALA HA . . 5.000 4.868 4.661 4.976 . 0 0 "[ . 1 . 2]" 1
1323 1 58 ASN H 1 59 ALA MB . . 3.940 3.854 3.657 3.929 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ASN QB 1 59 ALA H . . 3.990 3.252 2.751 3.952 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ASN HB2 1 59 ALA H . . 4.700 3.720 2.813 4.367 . 0 0 "[ . 1 . 2]" 1
1326 1 58 ASN HB3 1 59 ALA H . . 4.700 3.903 2.862 4.633 . 0 0 "[ . 1 . 2]" 1
1327 1 59 ALA H 1 59 ALA MB . . 2.640 2.134 2.042 2.312 . 0 0 "[ . 1 . 2]" 1
1328 1 59 ALA H 1 60 THR H . . 4.480 4.432 4.264 4.486 0.006 11 0 "[ . 1 . 2]" 1
1329 1 59 ALA H 1 60 THR MG . . 5.080 4.681 4.325 5.014 . 0 0 "[ . 1 . 2]" 1
1330 1 59 ALA H 1 61 SER H . . 5.500 5.413 5.244 5.499 . 0 0 "[ . 1 . 2]" 1
1331 1 59 ALA HA 1 60 THR H . . 2.890 2.143 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
1332 1 59 ALA HA 1 60 THR HA . . 4.760 4.397 4.386 4.405 . 0 0 "[ . 1 . 2]" 1
1333 1 59 ALA HA 1 60 THR MG . . 4.430 3.957 3.668 4.232 . 0 0 "[ . 1 . 2]" 1
1334 1 59 ALA HA 1 61 SER H . . 3.540 3.486 3.372 3.545 0.005 16 0 "[ . 1 . 2]" 1
1335 1 59 ALA MB 1 60 THR H . . 3.390 3.280 3.123 3.354 . 0 0 "[ . 1 . 2]" 1
1336 1 59 ALA MB 1 60 THR HA . . 4.610 4.190 4.139 4.247 . 0 0 "[ . 1 . 2]" 1
1337 1 59 ALA MB 1 60 THR MG . . 5.350 4.543 4.385 4.708 . 0 0 "[ . 1 . 2]" 1
1338 1 59 ALA MB 1 61 SER H . . 3.080 2.812 2.680 3.059 . 0 0 "[ . 1 . 2]" 1
1339 1 60 THR H 1 60 THR MG . . 3.730 2.811 2.582 3.057 . 0 0 "[ . 1 . 2]" 1
1340 1 60 THR H 1 61 SER H . . 2.760 2.486 2.317 2.681 . 0 0 "[ . 1 . 2]" 1
1341 1 60 THR H 1 61 SER HA . . 5.220 5.005 4.897 5.114 . 0 0 "[ . 1 . 2]" 1
1342 1 60 THR HA 1 60 THR MG . . 3.150 2.308 2.151 2.428 . 0 0 "[ . 1 . 2]" 1
1343 1 60 THR HA 1 61 SER H . . 3.520 3.092 2.989 3.246 . 0 0 "[ . 1 . 2]" 1
1344 1 60 THR MG 1 61 SER H . . 4.460 4.319 4.210 4.404 . 0 0 "[ . 1 . 2]" 1
1345 1 61 SER H 1 61 SER HB2 . . 4.180 3.891 3.199 4.023 . 0 0 "[ . 1 . 2]" 1
1346 1 61 SER H 1 61 SER QB . . 3.660 3.303 2.799 3.385 . 0 0 "[ . 1 . 2]" 1
1347 1 61 SER H 1 61 SER HB3 . . 4.180 3.597 2.955 4.014 . 0 0 "[ . 1 . 2]" 1
1348 1 61 SER H 1 62 ALA H . . 4.330 4.210 4.081 4.370 0.040 11 0 "[ . 1 . 2]" 1
1349 1 61 SER HA 1 62 ALA H . . 3.050 2.223 2.171 2.389 . 0 0 "[ . 1 . 2]" 1
1350 1 61 SER QB 1 62 ALA H . . 3.300 2.936 2.552 3.308 0.008 11 0 "[ . 1 . 2]" 1
1351 1 61 SER HB2 1 62 ALA H . . 4.050 3.080 2.595 3.762 . 0 0 "[ . 1 . 2]" 1
1352 1 61 SER HB3 1 62 ALA H . . 4.050 3.880 2.752 4.050 . 7 0 "[ . 1 . 2]" 1
1353 1 62 ALA H 1 62 ALA MB . . 3.470 2.669 2.551 2.778 . 0 0 "[ . 1 . 2]" 1
1354 1 62 ALA H 1 63 MET H . . 4.460 4.358 4.272 4.432 . 0 0 "[ . 1 . 2]" 1
1355 1 62 ALA HA 1 63 MET H . . 2.630 2.283 2.202 2.372 . 0 0 "[ . 1 . 2]" 1
1356 1 62 ALA HA 1 63 MET QB . . 4.590 4.334 4.043 4.422 . 0 0 "[ . 1 . 2]" 1
1357 1 62 ALA HA 1 63 MET QG . . 4.270 3.908 3.752 4.343 0.073 18 0 "[ . 1 . 2]" 1
1358 1 62 ALA MB 1 63 MET H . . 3.060 2.723 2.455 2.962 . 0 0 "[ . 1 . 2]" 1
1359 1 62 ALA MB 1 63 MET HA . . 4.440 4.190 4.014 4.336 . 0 0 "[ . 1 . 2]" 1
1360 1 62 ALA MB 1 64 LEU MD1 . . 4.850 4.663 4.484 4.928 0.078 18 0 "[ . 1 . 2]" 1
1361 1 62 ALA MB 1 64 LEU MD2 . . 3.480 3.215 2.938 3.433 . 0 0 "[ . 1 . 2]" 1
1362 1 62 ALA MB 1 77 VAL MG1 . . 4.930 4.636 4.252 4.918 . 0 0 "[ . 1 . 2]" 1
1363 1 63 MET H 1 63 MET HB2 . . 3.880 2.462 2.226 3.791 . 0 0 "[ . 1 . 2]" 1
1364 1 63 MET H 1 63 MET QB . . 3.410 2.379 2.203 2.722 . 0 0 "[ . 1 . 2]" 1
1365 1 63 MET H 1 63 MET HB3 . . 3.880 3.580 2.789 3.679 . 0 0 "[ . 1 . 2]" 1
1366 1 63 MET H 1 63 MET ME . . 5.040 4.898 4.095 5.042 0.002 16 0 "[ . 1 . 2]" 1
1367 1 63 MET H 1 63 MET HG2 . . 3.770 3.492 2.572 3.635 . 0 0 "[ . 1 . 2]" 1
1368 1 63 MET H 1 63 MET QG . . 2.940 2.813 2.505 2.928 . 0 0 "[ . 1 . 2]" 1
1369 1 63 MET H 1 63 MET HG3 . . 3.770 3.023 2.762 3.719 . 0 0 "[ . 1 . 2]" 1
1370 1 63 MET H 1 64 LEU H . . 4.600 4.559 4.497 4.607 0.007 11 0 "[ . 1 . 2]" 1
1371 1 63 MET H 1 64 LEU MD2 . . 4.840 4.435 4.066 4.797 . 0 0 "[ . 1 . 2]" 1
1372 1 63 MET HA 1 63 MET ME . . 3.550 3.191 1.866 3.719 0.169 18 0 "[ . 1 . 2]" 1
1373 1 63 MET HA 1 63 MET HG2 . . 3.820 2.388 2.261 3.864 0.044 18 0 "[ . 1 . 2]" 1
1374 1 63 MET HA 1 63 MET HG3 . . 3.820 3.346 3.224 3.638 . 0 0 "[ . 1 . 2]" 1
1375 1 63 MET HA 1 64 LEU H . . 2.850 2.350 2.239 2.450 . 0 0 "[ . 1 . 2]" 1
1376 1 63 MET HA 1 64 LEU MD1 . . 5.420 4.600 4.384 4.975 . 0 0 "[ . 1 . 2]" 1
1377 1 63 MET HA 1 64 LEU MD2 . . 4.590 4.185 3.912 4.369 . 0 0 "[ . 1 . 2]" 1
1378 1 63 MET HA 1 64 LEU HG . . 4.520 3.309 3.169 3.540 . 0 0 "[ . 1 . 2]" 1
1379 1 63 MET QB 1 64 LEU H . . 3.910 2.544 2.303 2.835 . 0 0 "[ . 1 . 2]" 1
1380 1 63 MET HB2 1 64 LEU H . . 4.560 3.764 2.735 4.071 . 0 0 "[ . 1 . 2]" 1
1381 1 63 MET HB3 1 64 LEU H . . 4.560 2.649 2.328 4.044 . 0 0 "[ . 1 . 2]" 1
1382 1 63 MET ME 1 64 LEU H . . 3.830 3.244 1.881 3.608 . 0 0 "[ . 1 . 2]" 1
1383 1 63 MET QG 1 64 LEU H . . 4.060 3.819 3.190 4.068 0.008 11 0 "[ . 1 . 2]" 1
1384 1 64 LEU H 1 64 LEU HB2 . . 3.470 2.836 2.730 2.947 . 0 0 "[ . 1 . 2]" 1
1385 1 64 LEU H 1 64 LEU HB3 . . 4.030 3.857 3.788 3.928 . 0 0 "[ . 1 . 2]" 1
1386 1 64 LEU H 1 64 LEU MD1 . . 4.220 3.951 3.600 4.154 . 0 0 "[ . 1 . 2]" 1
1387 1 64 LEU H 1 64 LEU MD2 . . 4.030 3.817 3.555 3.988 . 0 0 "[ . 1 . 2]" 1
1388 1 64 LEU H 1 64 LEU HG . . 3.210 2.827 2.528 3.016 . 0 0 "[ . 1 . 2]" 1
1389 1 64 LEU H 1 65 GLY H . . 4.540 4.420 4.337 4.490 . 0 0 "[ . 1 . 2]" 1
1390 1 64 LEU H 1 67 LEU QD . . 4.580 3.898 3.598 4.260 . 0 0 "[ . 1 . 2]" 1
1391 1 64 LEU HA 1 64 LEU MD1 . . 4.260 3.957 3.851 4.014 . 0 0 "[ . 1 . 2]" 1
1392 1 64 LEU HA 1 64 LEU MD2 . . 3.020 2.351 1.978 2.578 . 0 0 "[ . 1 . 2]" 1
1393 1 64 LEU HA 1 65 GLY H . . 2.690 2.287 2.207 2.452 . 0 0 "[ . 1 . 2]" 1
1394 1 64 LEU HA 1 67 LEU QD . . 4.800 3.698 3.381 3.955 . 0 0 "[ . 1 . 2]" 1
1395 1 64 LEU HB2 1 64 LEU MD1 . . 3.330 2.176 2.003 2.439 . 0 0 "[ . 1 . 2]" 1
1396 1 64 LEU HB2 1 64 LEU MD2 . . 3.550 3.166 3.130 3.182 . 0 0 "[ . 1 . 2]" 1
1397 1 64 LEU HB2 1 65 GLY H . . 3.970 3.691 3.284 3.916 . 0 0 "[ . 1 . 2]" 1
1398 1 64 LEU HB2 1 67 LEU MD1 . . 4.340 2.196 2.006 2.504 . 0 0 "[ . 1 . 2]" 1
1399 1 64 LEU HB2 1 67 LEU QD . . 3.720 2.143 1.979 2.450 . 0 0 "[ . 1 . 2]" 1
1400 1 64 LEU HB2 1 67 LEU MD2 . . 4.340 3.023 2.718 3.483 . 0 0 "[ . 1 . 2]" 1
1401 1 64 LEU HB2 1 75 VAL QG . . 4.440 4.097 3.906 4.263 . 0 0 "[ . 1 . 2]" 1
1402 1 64 LEU HB2 1 93 VAL MG1 . . 5.320 4.898 4.417 5.267 . 0 0 "[ . 1 . 2]" 1
1403 1 64 LEU HB3 1 64 LEU MD1 . . 3.380 2.490 2.222 2.661 . 0 0 "[ . 1 . 2]" 1
1404 1 64 LEU HB3 1 65 GLY H . . 3.640 2.777 2.416 3.009 . 0 0 "[ . 1 . 2]" 1
1405 1 64 LEU HB3 1 67 LEU MD1 . . 3.950 3.016 2.590 3.407 . 0 0 "[ . 1 . 2]" 1
1406 1 64 LEU HB3 1 67 LEU QD . . 3.460 2.422 2.108 2.700 . 0 0 "[ . 1 . 2]" 1
1407 1 64 LEU HB3 1 67 LEU MD2 . . 3.950 2.567 2.166 2.860 . 0 0 "[ . 1 . 2]" 1
1408 1 64 LEU MD1 1 67 LEU MD1 . . 4.160 2.885 2.621 3.227 . 0 0 "[ . 1 . 2]" 1
1409 1 64 LEU MD1 1 67 LEU QD . . 3.580 2.771 2.564 2.953 . 0 0 "[ . 1 . 2]" 1
1410 1 64 LEU MD1 1 67 LEU MD2 . . 4.160 3.631 3.333 3.931 . 0 0 "[ . 1 . 2]" 1
1411 1 64 LEU MD1 1 75 VAL HA . . 5.500 3.881 3.626 4.090 . 0 0 "[ . 1 . 2]" 1
1412 1 64 LEU MD1 1 75 VAL HB . . 4.220 3.927 3.659 4.149 . 0 0 "[ . 1 . 2]" 1
1413 1 64 LEU MD1 1 75 VAL MG1 . . 3.210 2.153 1.920 2.496 . 0 0 "[ . 1 . 2]" 1
1414 1 64 LEU MD1 1 75 VAL QG . . 2.730 1.780 1.663 1.991 . 0 0 "[ . 1 . 2]" 1
1415 1 64 LEU MD1 1 75 VAL MG2 . . 3.210 1.914 1.813 2.198 . 0 0 "[ . 1 . 2]" 1
1416 1 64 LEU MD1 1 93 VAL MG1 . . 3.910 3.359 2.991 3.610 . 0 0 "[ . 1 . 2]" 1
1417 1 64 LEU MD2 1 65 GLY H . . 3.790 3.691 3.400 3.816 0.026 18 0 "[ . 1 . 2]" 1
1418 1 64 LEU MD2 1 67 LEU MD1 . . 4.680 4.370 4.201 4.589 . 0 0 "[ . 1 . 2]" 1
1419 1 64 LEU MD2 1 67 LEU QD . . 4.000 3.744 3.515 3.941 . 0 0 "[ . 1 . 2]" 1
1420 1 64 LEU MD2 1 67 LEU MD2 . . 4.680 4.078 3.764 4.355 . 0 0 "[ . 1 . 2]" 1
1421 1 64 LEU HG 1 65 GLY H . . 5.330 5.033 4.920 5.133 . 0 0 "[ . 1 . 2]" 1
1422 1 64 LEU HG 1 75 VAL MG1 . . 5.500 4.216 3.978 4.562 . 0 0 "[ . 1 . 2]" 1
1423 1 64 LEU HG 1 75 VAL MG2 . . 5.500 4.241 4.014 4.553 . 0 0 "[ . 1 . 2]" 1
1424 1 65 GLY H 1 66 PRO HA . . 4.930 4.789 4.774 4.798 . 0 0 "[ . 1 . 2]" 1
1425 1 65 GLY H 1 67 LEU H . . 5.500 5.223 5.002 5.504 0.004 18 0 "[ . 1 . 2]" 1
1426 1 65 GLY H 1 67 LEU MD1 . . 4.540 4.147 3.819 4.412 . 0 0 "[ . 1 . 2]" 1
1427 1 65 GLY H 1 67 LEU QD . . 3.700 2.662 2.194 3.171 . 0 0 "[ . 1 . 2]" 1
1428 1 65 GLY H 1 67 LEU MD2 . . 4.540 2.698 2.207 3.265 . 0 0 "[ . 1 . 2]" 1
1429 1 65 GLY H 1 67 LEU HG . . 4.050 3.793 3.569 3.964 . 0 0 "[ . 1 . 2]" 1
1430 1 65 GLY QA 1 66 PRO QB . . 4.040 3.672 3.667 3.674 . 0 0 "[ . 1 . 2]" 1
1431 1 65 GLY QA 1 66 PRO QD . . 3.930 3.609 3.608 3.610 . 0 0 "[ . 1 . 2]" 1
1432 1 65 GLY QA 1 67 LEU H . . 3.370 2.505 2.345 2.742 . 0 0 "[ . 1 . 2]" 1
1433 1 65 GLY QA 1 67 LEU QD . . 3.250 2.006 1.904 2.372 . 0 0 "[ . 1 . 2]" 1
1434 1 65 GLY QA 1 67 LEU HG . . 3.400 1.976 1.943 2.033 . 0 0 "[ . 1 . 2]" 1
1435 1 65 GLY HA2 1 66 PRO HA . . 3.670 2.706 2.635 2.821 . 0 0 "[ . 1 . 2]" 1
1436 1 65 GLY HA2 1 67 LEU H . . 4.220 2.671 2.460 2.956 . 0 0 "[ . 1 . 2]" 1
1437 1 65 GLY HA2 1 67 LEU MD1 . . 4.910 3.577 3.508 3.669 . 0 0 "[ . 1 . 2]" 1
1438 1 65 GLY HA2 1 67 LEU MD2 . . 4.910 2.038 1.928 2.442 . 0 0 "[ . 1 . 2]" 1
1439 1 65 GLY HA2 1 67 LEU HG . . 4.000 2.025 1.991 2.090 . 0 0 "[ . 1 . 2]" 1
1440 1 65 GLY HA3 1 66 PRO HA . . 3.670 2.268 2.169 2.332 . 0 0 "[ . 1 . 2]" 1
1441 1 65 GLY HA3 1 67 LEU H . . 4.220 3.038 2.814 3.345 . 0 0 "[ . 1 . 2]" 1
1442 1 65 GLY HA3 1 67 LEU MD1 . . 4.910 4.091 4.018 4.216 . 0 0 "[ . 1 . 2]" 1
1443 1 65 GLY HA3 1 67 LEU MD2 . . 4.910 3.394 3.246 3.840 . 0 0 "[ . 1 . 2]" 1
1444 1 65 GLY HA3 1 67 LEU HG . . 4.000 2.761 2.646 2.908 . 0 0 "[ . 1 . 2]" 1
1445 1 66 PRO HA 1 67 LEU H . . 2.900 2.161 2.152 2.187 . 0 0 "[ . 1 . 2]" 1
1446 1 66 PRO QB 1 67 LEU H . . 3.430 3.283 3.120 3.376 . 0 0 "[ . 1 . 2]" 1
1447 1 66 PRO HB2 1 67 LEU H . . 4.050 3.497 3.299 3.612 . 0 0 "[ . 1 . 2]" 1
1448 1 66 PRO HB3 1 67 LEU H . . 4.050 3.978 3.847 4.055 0.005 16 0 "[ . 1 . 2]" 1
1449 1 67 LEU H 1 67 LEU QB . . 3.600 2.598 2.455 2.658 . 0 0 "[ . 1 . 2]" 1
1450 1 67 LEU H 1 67 LEU MD1 . . 4.090 3.856 3.687 4.065 . 0 0 "[ . 1 . 2]" 1
1451 1 67 LEU H 1 67 LEU QD . . 3.460 3.114 2.996 3.261 . 0 0 "[ . 1 . 2]" 1
1452 1 67 LEU H 1 67 LEU MD2 . . 4.090 3.290 3.139 3.484 . 0 0 "[ . 1 . 2]" 1
1453 1 67 LEU H 1 67 LEU HG . . 3.260 2.477 2.267 2.760 . 0 0 "[ . 1 . 2]" 1
1454 1 67 LEU H 1 68 SER H . . 4.670 4.462 4.429 4.490 . 0 0 "[ . 1 . 2]" 1
1455 1 67 LEU H 1 95 THR MG . . 4.550 4.476 4.305 4.548 . 0 0 "[ . 1 . 2]" 1
1456 1 67 LEU HA 1 67 LEU QD . . 3.060 2.086 1.959 2.263 . 0 0 "[ . 1 . 2]" 1
1457 1 67 LEU HA 1 68 SER H . . 3.250 2.599 2.511 2.641 . 0 0 "[ . 1 . 2]" 1
1458 1 67 LEU HA 1 95 THR MG . . 4.510 4.399 4.205 4.512 0.002 13 0 "[ . 1 . 2]" 1
1459 1 67 LEU QB 1 68 SER H . . 3.370 2.092 1.987 2.222 . 0 0 "[ . 1 . 2]" 1
1460 1 67 LEU QB 1 68 SER QB . . 5.180 3.989 3.881 4.544 . 0 0 "[ . 1 . 2]" 1
1461 1 67 LEU QB 1 95 THR MG . . 3.190 2.115 1.964 2.193 . 0 0 "[ . 1 . 2]" 1
1462 1 67 LEU HB2 1 68 SER H . . 3.880 3.040 2.913 3.285 . 0 0 "[ . 1 . 2]" 1
1463 1 67 LEU HB2 1 95 THR MG . . 3.680 2.260 2.077 2.508 . 0 0 "[ . 1 . 2]" 1
1464 1 67 LEU HB3 1 68 SER H . . 3.880 2.132 2.014 2.274 . 0 0 "[ . 1 . 2]" 1
1465 1 67 LEU HB3 1 95 THR MG . . 3.680 2.582 2.259 2.788 . 0 0 "[ . 1 . 2]" 1
1466 1 67 LEU QD 1 68 SER H . . 3.760 3.453 3.284 3.549 . 0 0 "[ . 1 . 2]" 1
1467 1 67 LEU QD 1 93 VAL MG1 . . 3.920 3.329 3.072 3.532 . 0 0 "[ . 1 . 2]" 1
1468 1 67 LEU QD 1 93 VAL MG2 . . 4.790 4.129 3.480 4.507 . 0 0 "[ . 1 . 2]" 1
1469 1 67 LEU QD 1 95 THR MG . . 2.870 2.366 2.175 2.507 . 0 0 "[ . 1 . 2]" 1
1470 1 67 LEU MD1 1 68 SER H . . 4.400 4.078 3.974 4.207 . 0 0 "[ . 1 . 2]" 1
1471 1 67 LEU MD1 1 73 TYR QB . . 4.990 3.259 3.016 3.497 . 0 0 "[ . 1 . 2]" 1
1472 1 67 LEU MD1 1 73 TYR QD . . 4.250 3.688 3.112 4.122 . 0 0 "[ . 1 . 2]" 1
1473 1 67 LEU MD1 1 95 THR MG . . 4.050 2.386 2.187 2.532 . 0 0 "[ . 1 . 2]" 1
1474 1 67 LEU MD2 1 68 SER H . . 4.400 3.732 3.459 3.824 . 0 0 "[ . 1 . 2]" 1
1475 1 67 LEU MD2 1 73 TYR QB . . 4.990 3.807 3.480 4.026 . 0 0 "[ . 1 . 2]" 1
1476 1 67 LEU MD2 1 73 TYR QD . . 4.250 3.261 2.712 3.623 . 0 0 "[ . 1 . 2]" 1
1477 1 67 LEU MD2 1 95 THR MG . . 4.050 3.943 3.731 4.053 0.003 13 0 "[ . 1 . 2]" 1
1478 1 68 SER H 1 68 SER HB2 . . 3.780 2.623 2.264 3.679 . 0 0 "[ . 1 . 2]" 1
1479 1 68 SER H 1 68 SER QB . . 3.230 2.386 2.238 2.912 . 0 0 "[ . 1 . 2]" 1
1480 1 68 SER H 1 68 SER HB3 . . 3.780 2.993 2.452 3.635 . 0 0 "[ . 1 . 2]" 1
1481 1 68 SER H 1 69 SER H . . 4.590 4.498 4.459 4.533 . 0 0 "[ . 1 . 2]" 1
1482 1 68 SER H 1 71 THR HB . . 4.450 3.999 3.773 4.169 . 0 0 "[ . 1 . 2]" 1
1483 1 68 SER H 1 71 THR MG . . 4.900 4.436 4.152 4.635 . 0 0 "[ . 1 . 2]" 1
1484 1 68 SER H 1 73 TYR QD . . 4.230 4.058 3.790 4.235 0.005 13 0 "[ . 1 . 2]" 1
1485 1 68 SER HA 1 69 SER H . . 2.590 2.571 2.479 2.610 0.020 11 0 "[ . 1 . 2]" 1
1486 1 68 SER HA 1 69 SER HA . . 4.690 4.395 4.371 4.415 . 0 0 "[ . 1 . 2]" 1
1487 1 68 SER QB 1 69 SER H . . 3.080 2.581 2.015 3.012 . 0 0 "[ . 1 . 2]" 1
1488 1 68 SER QB 1 71 THR MG . . 3.760 2.942 2.731 3.690 . 0 0 "[ . 1 . 2]" 1
1489 1 68 SER QB 1 73 TYR QD . . 5.340 4.225 3.729 5.340 . 13 0 "[ . 1 . 2]" 1
1490 1 68 SER QB 1 95 THR MG . . 4.930 4.053 3.591 4.833 . 0 0 "[ . 1 . 2]" 1
1491 1 68 SER HB2 1 69 SER H . . 3.770 3.503 2.027 3.755 . 0 0 "[ . 1 . 2]" 1
1492 1 68 SER HB3 1 69 SER H . . 3.770 2.801 2.049 3.524 . 0 0 "[ . 1 . 2]" 1
1493 1 69 SER H 1 69 SER QB . . 3.240 2.907 2.776 2.994 . 0 0 "[ . 1 . 2]" 1
1494 1 69 SER H 1 70 SER H . . 4.730 4.521 4.465 4.550 . 0 0 "[ . 1 . 2]" 1
1495 1 69 SER H 1 70 SER HB3 . . 5.500 5.198 5.053 5.403 . 0 0 "[ . 1 . 2]" 1
1496 1 69 SER H 1 71 THR HB . . 4.590 4.103 3.911 4.345 . 0 0 "[ . 1 . 2]" 1
1497 1 69 SER H 1 95 THR HG1 . . 4.290 3.639 3.402 4.157 . 0 0 "[ . 1 . 2]" 1
1498 1 69 SER H 1 95 THR MG . . 5.300 4.980 4.749 5.176 . 0 0 "[ . 1 . 2]" 1
1499 1 69 SER H 1 98 ALA MB . . 4.660 4.267 3.927 4.578 . 0 0 "[ . 1 . 2]" 1
1500 1 69 SER HA 1 70 SER H . . 2.940 2.280 2.199 2.362 . 0 0 "[ . 1 . 2]" 1
1501 1 69 SER HA 1 70 SER HA . . 4.430 4.412 4.386 4.439 0.009 13 0 "[ . 1 . 2]" 1
1502 1 69 SER HA 1 71 THR H . . 3.650 3.390 3.310 3.589 . 0 0 "[ . 1 . 2]" 1
1503 1 69 SER HA 1 71 THR HB . . 4.790 4.631 4.474 4.776 . 0 0 "[ . 1 . 2]" 1
1504 1 69 SER HA 1 95 THR HA . . 4.960 4.811 4.642 4.960 . 0 0 "[ . 1 . 2]" 1
1505 1 69 SER HA 1 95 THR HG1 . . 3.620 2.095 1.999 2.235 . 0 0 "[ . 1 . 2]" 1
1506 1 69 SER HA 1 95 THR MG . . 4.150 3.761 3.579 4.000 . 0 0 "[ . 1 . 2]" 1
1507 1 69 SER HA 1 97 LYS HA . . 5.110 4.060 3.860 4.427 . 0 0 "[ . 1 . 2]" 1
1508 1 69 SER HA 1 98 ALA H . . 4.700 4.477 4.227 4.709 0.009 11 0 "[ . 1 . 2]" 1
1509 1 69 SER HA 1 98 ALA MB . . 4.550 4.273 4.005 4.542 . 0 0 "[ . 1 . 2]" 1
1510 1 69 SER QB 1 70 SER H . . 3.100 2.711 2.494 2.996 . 0 0 "[ . 1 . 2]" 1
1511 1 69 SER QB 1 70 SER HA . . 4.620 4.515 4.425 4.639 0.019 12 0 "[ . 1 . 2]" 1
1512 1 69 SER QB 1 70 SER HB2 . . 4.700 3.698 3.401 3.865 . 0 0 "[ . 1 . 2]" 1
1513 1 69 SER QB 1 71 THR H . . 4.750 4.590 4.515 4.748 . 0 0 "[ . 1 . 2]" 1
1514 1 69 SER QB 1 97 LYS HA . . 3.680 2.281 1.986 2.919 . 0 0 "[ . 1 . 2]" 1
1515 1 69 SER QB 1 98 ALA H . . 3.210 2.044 1.865 2.326 . 0 0 "[ . 1 . 2]" 1
1516 1 69 SER QB 1 98 ALA MB . . 3.080 2.112 1.907 2.413 . 0 0 "[ . 1 . 2]" 1
1517 1 69 SER HB2 1 70 SER H . . 3.890 2.869 2.530 3.714 . 0 0 "[ . 1 . 2]" 1
1518 1 69 SER HB2 1 71 THR H . . 5.500 4.942 4.825 5.294 . 0 0 "[ . 1 . 2]" 1
1519 1 69 SER HB2 1 95 THR HG1 . . 4.520 4.412 4.132 4.523 0.003 9 0 "[ . 1 . 2]" 1
1520 1 69 SER HB2 1 98 ALA H . . 3.980 2.128 1.900 2.604 . 0 0 "[ . 1 . 2]" 1
1521 1 69 SER HB2 1 98 ALA HA . . 4.350 4.093 3.818 4.316 . 0 0 "[ . 1 . 2]" 1
1522 1 69 SER HB2 1 98 ALA MB . . 3.620 2.751 2.210 2.990 . 0 0 "[ . 1 . 2]" 1
1523 1 69 SER HB3 1 70 SER H . . 3.890 3.724 3.061 3.895 0.005 15 0 "[ . 1 . 2]" 1
1524 1 69 SER HB3 1 71 THR H . . 5.500 5.468 5.280 5.511 0.011 13 0 "[ . 1 . 2]" 1
1525 1 69 SER HB3 1 95 THR HG1 . . 4.520 4.394 4.180 4.491 . 0 0 "[ . 1 . 2]" 1
1526 1 69 SER HB3 1 98 ALA H . . 3.980 2.847 2.260 3.547 . 0 0 "[ . 1 . 2]" 1
1527 1 69 SER HB3 1 98 ALA HA . . 4.350 3.636 3.175 4.186 . 0 0 "[ . 1 . 2]" 1
1528 1 69 SER HB3 1 98 ALA MB . . 3.620 2.237 1.993 2.846 . 0 0 "[ . 1 . 2]" 1
1529 1 70 SER H 1 70 SER HA . . 2.800 2.289 2.276 2.300 . 0 0 "[ . 1 . 2]" 1
1530 1 70 SER H 1 70 SER HB2 . . 3.520 2.990 2.877 3.083 . 0 0 "[ . 1 . 2]" 1
1531 1 70 SER H 1 70 SER HB3 . . 4.110 3.516 3.400 3.642 . 0 0 "[ . 1 . 2]" 1
1532 1 70 SER H 1 71 THR H . . 3.380 2.833 2.714 2.907 . 0 0 "[ . 1 . 2]" 1
1533 1 70 SER H 1 94 THR MG . . 4.340 4.109 3.983 4.195 . 0 0 "[ . 1 . 2]" 1
1534 1 70 SER H 1 95 THR H . . 4.830 4.767 4.473 4.834 0.004 7 0 "[ . 1 . 2]" 1
1535 1 70 SER H 1 95 THR HG1 . . 3.470 2.841 2.229 3.167 . 0 0 "[ . 1 . 2]" 1
1536 1 70 SER H 1 95 THR MG . . 5.030 4.716 4.398 4.866 . 0 0 "[ . 1 . 2]" 1
1537 1 70 SER H 1 96 LYS H . . 4.570 4.234 3.758 4.500 . 0 0 "[ . 1 . 2]" 1
1538 1 70 SER H 1 97 LYS H . . 5.380 4.212 3.923 4.482 . 0 0 "[ . 1 . 2]" 1
1539 1 70 SER H 1 97 LYS HA . . 4.070 2.956 2.782 3.192 . 0 0 "[ . 1 . 2]" 1
1540 1 70 SER H 1 97 LYS QB . . 5.290 4.875 4.709 5.115 . 0 0 "[ . 1 . 2]" 1
1541 1 70 SER H 1 98 ALA H . . 4.650 4.405 4.183 4.651 0.001 2 0 "[ . 1 . 2]" 1
1542 1 70 SER H 1 98 ALA MB . . 5.430 5.133 4.711 5.357 . 0 0 "[ . 1 . 2]" 1
1543 1 70 SER HA 1 71 THR H . . 3.110 2.907 2.837 2.960 . 0 0 "[ . 1 . 2]" 1
1544 1 70 SER HA 1 71 THR HA . . 4.490 4.448 4.415 4.482 . 0 0 "[ . 1 . 2]" 1
1545 1 70 SER HA 1 94 THR MG . . 3.800 2.836 2.636 2.966 . 0 0 "[ . 1 . 2]" 1
1546 1 70 SER HA 1 95 THR H . . 5.000 4.781 4.586 4.922 . 0 0 "[ . 1 . 2]" 1
1547 1 70 SER HA 1 95 THR HG1 . . 4.520 4.125 3.534 4.392 . 0 0 "[ . 1 . 2]" 1
1548 1 70 SER HA 1 96 LYS HA . . 4.650 4.377 3.950 4.653 0.003 8 0 "[ . 1 . 2]" 1
1549 1 70 SER HA 1 97 LYS H . . 5.380 4.991 4.582 5.356 . 0 0 "[ . 1 . 2]" 1
1550 1 70 SER HA 1 97 LYS HA . . 4.270 4.158 3.939 4.271 0.001 13 0 "[ . 1 . 2]" 1
1551 1 70 SER HB2 1 71 THR H . . 4.770 4.582 4.523 4.610 . 0 0 "[ . 1 . 2]" 1
1552 1 70 SER HB2 1 94 THR MG . . 5.070 4.818 4.579 4.968 . 0 0 "[ . 1 . 2]" 1
1553 1 70 SER HB2 1 97 LYS HA . . 3.900 2.864 2.284 3.082 . 0 0 "[ . 1 . 2]" 1
1554 1 70 SER HB2 1 97 LYS QB . . 4.870 4.065 3.627 4.256 . 0 0 "[ . 1 . 2]" 1
1555 1 70 SER HB2 1 97 LYS QD . . 5.260 3.449 2.381 4.283 . 0 0 "[ . 1 . 2]" 1
1556 1 70 SER HB2 1 97 LYS QG . . 4.730 2.151 1.851 2.357 . 0 0 "[ . 1 . 2]" 1
1557 1 70 SER HB2 1 98 ALA H . . 4.560 4.400 3.839 4.572 0.012 4 0 "[ . 1 . 2]" 1
1558 1 70 SER HB3 1 71 THR H . . 4.710 4.111 4.053 4.184 . 0 0 "[ . 1 . 2]" 1
1559 1 70 SER HB3 1 94 THR MG . . 5.320 5.137 4.827 5.321 0.001 19 0 "[ . 1 . 2]" 1
1560 1 70 SER HB3 1 97 LYS HA . . 4.470 4.092 3.546 4.267 . 0 0 "[ . 1 . 2]" 1
1561 1 70 SER HB3 1 97 LYS QB . . 5.500 5.382 4.926 5.506 0.006 15 0 "[ . 1 . 2]" 1
1562 1 70 SER HB3 1 97 LYS QD . . 5.500 4.816 3.963 5.508 0.008 15 0 "[ . 1 . 2]" 1
1563 1 70 SER HB3 1 98 ALA H . . 5.500 5.040 4.560 5.403 . 0 0 "[ . 1 . 2]" 1
1564 1 71 THR H 1 71 THR HB . . 3.060 2.679 2.577 2.765 . 0 0 "[ . 1 . 2]" 1
1565 1 71 THR H 1 71 THR HG1 . . 3.400 2.979 2.708 3.401 0.001 4 0 "[ . 1 . 2]" 1
1566 1 71 THR H 1 71 THR MG . . 4.060 3.863 3.791 3.910 . 0 0 "[ . 1 . 2]" 1
1567 1 71 THR H 1 72 THR H . . 4.630 4.345 4.252 4.442 . 0 0 "[ . 1 . 2]" 1
1568 1 71 THR H 1 73 TYR QD . . 4.640 4.542 4.348 4.642 0.002 13 0 "[ . 1 . 2]" 1
1569 1 71 THR H 1 94 THR HA . . 4.550 4.432 4.045 4.554 0.004 4 0 "[ . 1 . 2]" 1
1570 1 71 THR H 1 94 THR MG . . 3.890 3.428 2.877 3.631 . 0 0 "[ . 1 . 2]" 1
1571 1 71 THR H 1 95 THR H . . 3.390 3.271 2.924 3.389 . 0 0 "[ . 1 . 2]" 1
1572 1 71 THR H 1 95 THR HA . . 5.070 4.871 4.580 5.062 . 0 0 "[ . 1 . 2]" 1
1573 1 71 THR H 1 95 THR HG1 . . 3.000 1.976 1.896 2.148 . 0 0 "[ . 1 . 2]" 1
1574 1 71 THR H 1 95 THR MG . . 4.090 3.926 3.679 4.084 . 0 0 "[ . 1 . 2]" 1
1575 1 71 THR HA 1 71 THR MG . . 3.290 2.388 2.278 2.469 . 0 0 "[ . 1 . 2]" 1
1576 1 71 THR HA 1 72 THR H . . 2.660 2.164 2.142 2.207 . 0 0 "[ . 1 . 2]" 1
1577 1 71 THR HA 1 72 THR HB . . 4.800 4.687 4.490 4.797 . 0 0 "[ . 1 . 2]" 1
1578 1 71 THR HA 1 94 THR MG . . 4.660 3.880 3.375 4.238 . 0 0 "[ . 1 . 2]" 1
1579 1 71 THR HA 1 95 THR H . . 5.440 4.971 4.779 5.125 . 0 0 "[ . 1 . 2]" 1
1580 1 71 THR HB 1 72 THR H . . 4.330 4.153 3.992 4.293 . 0 0 "[ . 1 . 2]" 1
1581 1 71 THR HB 1 73 TYR QD . . 3.790 3.379 2.888 3.749 . 0 0 "[ . 1 . 2]" 1
1582 1 71 THR HB 1 95 THR H . . 4.970 4.523 4.210 4.718 . 0 0 "[ . 1 . 2]" 1
1583 1 71 THR HB 1 95 THR HG1 . . 3.940 3.075 2.739 3.662 . 0 0 "[ . 1 . 2]" 1
1584 1 71 THR HB 1 95 THR MG . . 4.250 3.978 3.413 4.174 . 0 0 "[ . 1 . 2]" 1
1585 1 71 THR MG 1 72 THR H . . 3.130 2.356 1.982 2.789 . 0 0 "[ . 1 . 2]" 1
1586 1 71 THR MG 1 72 THR HA . . 4.600 3.999 3.837 4.183 . 0 0 "[ . 1 . 2]" 1
1587 1 71 THR MG 1 72 THR HB . . 4.410 3.919 3.652 4.318 . 0 0 "[ . 1 . 2]" 1
1588 1 71 THR MG 1 73 TYR QD . . 3.800 3.004 2.151 3.654 . 0 0 "[ . 1 . 2]" 1
1589 1 72 THR H 1 72 THR HB . . 2.940 2.539 2.325 2.651 . 0 0 "[ . 1 . 2]" 1
1590 1 72 THR H 1 72 THR MG . . 3.910 3.772 3.706 3.790 . 0 0 "[ . 1 . 2]" 1
1591 1 72 THR H 1 73 TYR H . . 4.660 4.527 4.397 4.601 . 0 0 "[ . 1 . 2]" 1
1592 1 72 THR H 1 94 THR HA . . 4.660 4.236 4.098 4.383 . 0 0 "[ . 1 . 2]" 1
1593 1 72 THR H 1 94 THR MG . . 4.160 3.790 3.563 4.060 . 0 0 "[ . 1 . 2]" 1
1594 1 72 THR HA 1 72 THR MG . . 3.270 2.336 2.205 2.491 . 0 0 "[ . 1 . 2]" 1
1595 1 72 THR HA 1 73 TYR H . . 2.900 2.166 2.141 2.206 . 0 0 "[ . 1 . 2]" 1
1596 1 72 THR HA 1 73 TYR QB . . 4.780 4.143 4.065 4.220 . 0 0 "[ . 1 . 2]" 1
1597 1 72 THR HA 1 93 VAL H . . 4.760 4.336 4.058 4.568 . 0 0 "[ . 1 . 2]" 1
1598 1 72 THR HA 1 93 VAL MG1 . . 4.830 4.456 4.211 4.785 . 0 0 "[ . 1 . 2]" 1
1599 1 72 THR HA 1 94 THR H . . 4.620 4.355 4.135 4.495 . 0 0 "[ . 1 . 2]" 1
1600 1 72 THR HA 1 94 THR HA . . 3.340 2.068 1.997 2.247 . 0 0 "[ . 1 . 2]" 1
1601 1 72 THR HA 1 94 THR HB . . 5.080 4.748 4.456 4.897 . 0 0 "[ . 1 . 2]" 1
1602 1 72 THR HA 1 94 THR MG . . 3.760 3.398 3.192 3.658 . 0 0 "[ . 1 . 2]" 1
1603 1 72 THR HA 1 95 THR H . . 3.700 3.388 3.185 3.610 . 0 0 "[ . 1 . 2]" 1
1604 1 72 THR HB 1 73 TYR H . . 4.560 4.141 3.987 4.417 . 0 0 "[ . 1 . 2]" 1
1605 1 72 THR HB 1 92 ARG QD . . 4.850 4.557 3.971 4.852 0.002 10 0 "[ . 1 . 2]" 1
1606 1 72 THR HB 1 94 THR HA . . 5.220 4.889 4.712 5.023 . 0 0 "[ . 1 . 2]" 1
1607 1 72 THR MG 1 73 TYR H . . 3.330 2.440 2.025 2.893 . 0 0 "[ . 1 . 2]" 1
1608 1 72 THR MG 1 73 TYR QB . . 4.800 4.247 4.049 4.489 . 0 0 "[ . 1 . 2]" 1
1609 1 72 THR MG 1 74 THR H . . 4.620 4.215 3.601 4.601 . 0 0 "[ . 1 . 2]" 1
1610 1 72 THR MG 1 92 ARG HA . . 4.430 3.614 3.367 4.051 . 0 0 "[ . 1 . 2]" 1
1611 1 72 THR MG 1 92 ARG QB . . 3.480 2.446 2.121 2.978 . 0 0 "[ . 1 . 2]" 1
1612 1 72 THR MG 1 92 ARG QD . . 3.030 2.407 1.788 3.024 . 0 0 "[ . 1 . 2]" 1
1613 1 72 THR MG 1 92 ARG QG . . 3.510 3.106 2.084 3.538 0.028 6 0 "[ . 1 . 2]" 1
1614 1 72 THR MG 1 93 VAL H . . 3.790 3.135 2.790 3.649 . 0 0 "[ . 1 . 2]" 1
1615 1 72 THR MG 1 94 THR HA . . 4.060 3.553 3.230 4.032 . 0 0 "[ . 1 . 2]" 1
1616 1 73 TYR H 1 73 TYR QB . . 3.300 2.406 2.295 2.531 . 0 0 "[ . 1 . 2]" 1
1617 1 73 TYR H 1 73 TYR QD . . 3.710 3.142 2.833 3.410 . 0 0 "[ . 1 . 2]" 1
1618 1 73 TYR H 1 74 THR H . . 4.500 4.339 4.158 4.471 . 0 0 "[ . 1 . 2]" 1
1619 1 73 TYR H 1 75 VAL QG . . 4.920 4.800 4.701 4.927 0.007 13 0 "[ . 1 . 2]" 1
1620 1 73 TYR H 1 92 ARG HA . . 4.810 4.425 4.076 4.817 0.007 15 0 "[ . 1 . 2]" 1
1621 1 73 TYR H 1 92 ARG QB . . 5.330 4.536 4.127 4.764 . 0 0 "[ . 1 . 2]" 1
1622 1 73 TYR H 1 92 ARG QG . . 5.500 5.070 4.482 5.497 . 0 0 "[ . 1 . 2]" 1
1623 1 73 TYR H 1 93 VAL H . . 3.480 2.882 2.562 3.283 . 0 0 "[ . 1 . 2]" 1
1624 1 73 TYR H 1 93 VAL MG1 . . 3.880 2.971 2.779 3.325 . 0 0 "[ . 1 . 2]" 1
1625 1 73 TYR H 1 94 THR HA . . 3.520 3.325 3.038 3.470 . 0 0 "[ . 1 . 2]" 1
1626 1 73 TYR H 1 94 THR MG . . 5.240 5.025 4.777 5.199 . 0 0 "[ . 1 . 2]" 1
1627 1 73 TYR H 1 95 THR H . . 4.180 4.009 3.573 4.184 0.004 4 0 "[ . 1 . 2]" 1
1628 1 73 TYR QB 1 74 THR H . . 3.590 3.269 2.754 3.481 . 0 0 "[ . 1 . 2]" 1
1629 1 73 TYR QB 1 74 THR HB . . 5.500 5.310 5.056 5.459 . 0 0 "[ . 1 . 2]" 1
1630 1 73 TYR QB 1 75 VAL H . . 4.870 4.403 4.088 4.777 . 0 0 "[ . 1 . 2]" 1
1631 1 73 TYR QB 1 75 VAL QG . . 3.470 2.987 2.657 3.236 . 0 0 "[ . 1 . 2]" 1
1632 1 73 TYR QB 1 93 VAL H . . 4.020 3.705 3.401 4.031 0.011 13 0 "[ . 1 . 2]" 1
1633 1 73 TYR QB 1 93 VAL MG1 . . 3.370 2.480 2.063 2.970 . 0 0 "[ . 1 . 2]" 1
1634 1 73 TYR QB 1 95 THR MG . . 4.790 3.504 3.262 3.749 . 0 0 "[ . 1 . 2]" 1
1635 1 73 TYR QD 1 74 THR H . . 4.640 3.999 3.619 4.208 . 0 0 "[ . 1 . 2]" 1
1636 1 73 TYR QD 1 93 VAL MG1 . . 4.740 4.141 3.698 4.622 . 0 0 "[ . 1 . 2]" 1
1637 1 73 TYR QD 1 95 THR H . . 4.490 3.577 3.023 4.162 . 0 0 "[ . 1 . 2]" 1
1638 1 73 TYR QD 1 95 THR MG . . 3.700 2.817 1.995 3.564 . 0 0 "[ . 1 . 2]" 1
1639 1 74 THR H 1 74 THR HB . . 3.160 2.586 2.505 2.664 . 0 0 "[ . 1 . 2]" 1
1640 1 74 THR H 1 74 THR MG . . 4.020 3.799 3.782 3.854 . 0 0 "[ . 1 . 2]" 1
1641 1 74 THR H 1 75 VAL H . . 4.680 4.253 4.126 4.411 . 0 0 "[ . 1 . 2]" 1
1642 1 74 THR H 1 75 VAL QG . . 4.630 4.441 4.177 4.619 . 0 0 "[ . 1 . 2]" 1
1643 1 74 THR HA 1 74 THR MG . . 3.110 2.269 2.183 2.369 . 0 0 "[ . 1 . 2]" 1
1644 1 74 THR HA 1 75 VAL H . . 2.900 2.183 2.142 2.246 . 0 0 "[ . 1 . 2]" 1
1645 1 74 THR HA 1 75 VAL QG . . 4.570 3.771 3.560 3.888 . 0 0 "[ . 1 . 2]" 1
1646 1 74 THR HA 1 92 ARG HA . . 3.550 2.487 2.330 2.761 . 0 0 "[ . 1 . 2]" 1
1647 1 74 THR HA 1 92 ARG QB . . 4.280 4.027 3.697 4.290 0.010 6 0 "[ . 1 . 2]" 1
1648 1 74 THR HA 1 92 ARG QD . . 4.640 4.118 1.994 4.653 0.013 13 0 "[ . 1 . 2]" 1
1649 1 74 THR HA 1 92 ARG QG . . 3.520 2.477 1.975 2.961 . 0 0 "[ . 1 . 2]" 1
1650 1 74 THR HA 1 93 VAL H . . 4.110 3.849 3.714 4.065 . 0 0 "[ . 1 . 2]" 1
1651 1 74 THR HB 1 75 VAL H . . 4.620 4.371 4.233 4.441 . 0 0 "[ . 1 . 2]" 1
1652 1 74 THR HB 1 92 ARG QG . . 5.250 4.431 4.119 4.873 . 0 0 "[ . 1 . 2]" 1
1653 1 74 THR MG 1 75 VAL H . . 3.300 3.098 2.835 3.298 . 0 0 "[ . 1 . 2]" 1
1654 1 74 THR MG 1 76 ARG H . . 5.500 4.846 4.408 5.171 . 0 0 "[ . 1 . 2]" 1
1655 1 74 THR MG 1 76 ARG HB2 . . 4.690 4.027 3.605 4.668 . 0 0 "[ . 1 . 2]" 1
1656 1 74 THR MG 1 76 ARG QD . . 5.020 3.599 2.331 5.004 . 0 0 "[ . 1 . 2]" 1
1657 1 74 THR MG 1 91 GLY H . . 4.070 3.426 2.941 3.826 . 0 0 "[ . 1 . 2]" 1
1658 1 74 THR MG 1 91 GLY QA . . 5.340 4.537 4.022 4.843 . 0 0 "[ . 1 . 2]" 1
1659 1 74 THR MG 1 92 ARG H . . 5.090 4.861 4.643 5.092 0.002 16 0 "[ . 1 . 2]" 1
1660 1 74 THR MG 1 92 ARG HA . . 4.380 3.870 3.703 3.961 . 0 0 "[ . 1 . 2]" 1
1661 1 74 THR MG 1 92 ARG QB . . 4.730 4.526 4.385 4.707 . 0 0 "[ . 1 . 2]" 1
1662 1 74 THR MG 1 92 ARG QD . . 5.500 3.904 3.143 4.383 . 0 0 "[ . 1 . 2]" 1
1663 1 74 THR MG 1 92 ARG QG . . 3.750 2.741 2.578 2.995 . 0 0 "[ . 1 . 2]" 1
1664 1 74 THR MG 1 93 VAL H . . 5.500 5.452 5.339 5.518 0.018 13 0 "[ . 1 . 2]" 1
1665 1 75 VAL H 1 75 VAL HB . . 3.730 2.526 2.435 2.642 . 0 0 "[ . 1 . 2]" 1
1666 1 75 VAL H 1 75 VAL QG . . 3.370 2.358 2.157 2.523 . 0 0 "[ . 1 . 2]" 1
1667 1 75 VAL H 1 90 THR HA . . 5.500 5.157 4.647 5.412 . 0 0 "[ . 1 . 2]" 1
1668 1 75 VAL H 1 91 GLY H . . 3.570 3.359 2.841 3.564 . 0 0 "[ . 1 . 2]" 1
1669 1 75 VAL H 1 92 ARG H . . 5.500 4.646 4.281 4.799 . 0 0 "[ . 1 . 2]" 1
1670 1 75 VAL H 1 92 ARG HA . . 3.600 2.918 2.448 3.245 . 0 0 "[ . 1 . 2]" 1
1671 1 75 VAL H 1 92 ARG QG . . 4.410 3.935 3.379 4.301 . 0 0 "[ . 1 . 2]" 1
1672 1 75 VAL H 1 93 VAL H . . 4.390 3.973 3.529 4.340 . 0 0 "[ . 1 . 2]" 1
1673 1 75 VAL HA 1 75 VAL MG1 . . 3.470 2.315 2.191 2.395 . 0 0 "[ . 1 . 2]" 1
1674 1 75 VAL HA 1 75 VAL MG2 . . 3.470 2.383 2.289 2.537 . 0 0 "[ . 1 . 2]" 1
1675 1 75 VAL HA 1 76 ARG H . . 2.920 2.227 2.149 2.304 . 0 0 "[ . 1 . 2]" 1
1676 1 75 VAL HB 1 76 ARG H . . 4.420 3.947 3.743 4.172 . 0 0 "[ . 1 . 2]" 1
1677 1 75 VAL HB 1 77 VAL MG2 . . 5.270 4.299 4.012 4.574 . 0 0 "[ . 1 . 2]" 1
1678 1 75 VAL HB 1 91 GLY H . . 4.850 3.483 2.567 4.157 . 0 0 "[ . 1 . 2]" 1
1679 1 75 VAL HB 1 92 ARG HA . . 4.760 4.624 3.940 4.776 0.016 13 0 "[ . 1 . 2]" 1
1680 1 75 VAL HB 1 93 VAL MG1 . . 5.040 3.861 3.567 4.145 . 0 0 "[ . 1 . 2]" 1
1681 1 75 VAL QG 1 76 ARG H . . 3.250 2.130 1.854 2.540 . 0 0 "[ . 1 . 2]" 1
1682 1 75 VAL QG 1 76 ARG HA . . 4.250 3.490 3.219 3.736 . 0 0 "[ . 1 . 2]" 1
1683 1 75 VAL QG 1 76 ARG HB2 . . 5.440 4.342 4.084 4.541 . 0 0 "[ . 1 . 2]" 1
1684 1 75 VAL QG 1 77 VAL HA . . 4.870 4.097 4.015 4.202 . 0 0 "[ . 1 . 2]" 1
1685 1 75 VAL QG 1 91 GLY H . . 4.950 3.910 3.327 4.418 . 0 0 "[ . 1 . 2]" 1
1686 1 75 VAL QG 1 92 ARG H . . 5.440 5.171 4.616 5.423 . 0 0 "[ . 1 . 2]" 1
1687 1 75 VAL QG 1 92 ARG HA . . 4.200 3.885 3.279 4.123 . 0 0 "[ . 1 . 2]" 1
1688 1 75 VAL QG 1 93 VAL H . . 3.870 3.667 3.264 3.862 . 0 0 "[ . 1 . 2]" 1
1689 1 75 VAL QG 1 93 VAL HA . . 5.440 5.219 4.868 5.437 . 0 0 "[ . 1 . 2]" 1
1690 1 75 VAL QG 1 93 VAL HB . . 5.110 3.767 3.378 4.230 . 0 0 "[ . 1 . 2]" 1
1691 1 75 VAL QG 1 93 VAL MG1 . . 2.990 2.136 1.863 2.444 . 0 0 "[ . 1 . 2]" 1
1692 1 75 VAL MG1 1 93 VAL MG1 . . 4.370 4.199 3.764 4.382 0.012 13 0 "[ . 1 . 2]" 1
1693 1 75 VAL MG2 1 93 VAL MG1 . . 4.370 2.142 1.866 2.456 . 0 0 "[ . 1 . 2]" 1
1694 1 76 ARG H 1 76 ARG HB2 . . 3.530 2.788 2.480 3.051 . 0 0 "[ . 1 . 2]" 1
1695 1 76 ARG H 1 76 ARG HB3 . . 3.960 3.263 2.928 3.736 . 0 0 "[ . 1 . 2]" 1
1696 1 76 ARG H 1 76 ARG QD . . 5.120 4.565 3.395 5.036 . 0 0 "[ . 1 . 2]" 1
1697 1 76 ARG H 1 76 ARG QG . . 4.470 3.983 3.518 4.205 . 0 0 "[ . 1 . 2]" 1
1698 1 76 ARG H 1 77 VAL H . . 4.190 4.018 3.856 4.160 . 0 0 "[ . 1 . 2]" 1
1699 1 76 ARG H 1 77 VAL HA . . 5.500 4.615 4.447 4.802 . 0 0 "[ . 1 . 2]" 1
1700 1 76 ARG H 1 77 VAL MG2 . . 4.810 4.016 3.800 4.338 . 0 0 "[ . 1 . 2]" 1
1701 1 76 ARG HA 1 76 ARG HD2 . . 5.500 4.377 2.825 4.676 . 0 0 "[ . 1 . 2]" 1
1702 1 76 ARG HA 1 76 ARG QD . . 4.720 3.792 2.471 4.106 . 0 0 "[ . 1 . 2]" 1
1703 1 76 ARG HA 1 76 ARG HD3 . . 5.500 4.238 2.502 4.641 . 0 0 "[ . 1 . 2]" 1
1704 1 76 ARG HA 1 76 ARG QG . . 3.370 2.251 2.143 2.371 . 0 0 "[ . 1 . 2]" 1
1705 1 76 ARG HA 1 77 VAL H . . 2.980 2.156 2.139 2.204 . 0 0 "[ . 1 . 2]" 1
1706 1 76 ARG HA 1 77 VAL MG2 . . 4.680 3.823 3.705 4.061 . 0 0 "[ . 1 . 2]" 1
1707 1 76 ARG HA 1 88 THR MG . . 4.150 3.536 3.088 3.782 . 0 0 "[ . 1 . 2]" 1
1708 1 76 ARG HA 1 90 THR H . . 4.970 4.636 4.093 4.957 . 0 0 "[ . 1 . 2]" 1
1709 1 76 ARG HA 1 90 THR HA . . 3.550 2.437 2.030 2.736 . 0 0 "[ . 1 . 2]" 1
1710 1 76 ARG HA 1 90 THR HB . . 5.210 4.437 2.270 4.889 . 0 0 "[ . 1 . 2]" 1
1711 1 76 ARG HA 1 90 THR MG . . 3.930 3.581 2.792 3.932 0.002 15 0 "[ . 1 . 2]" 1
1712 1 76 ARG HA 1 91 GLY H . . 4.140 3.605 3.284 3.894 . 0 0 "[ . 1 . 2]" 1
1713 1 76 ARG HB2 1 76 ARG HD2 . . 4.220 3.233 2.164 3.718 . 0 0 "[ . 1 . 2]" 1
1714 1 76 ARG HB2 1 76 ARG QD . . 3.500 2.294 2.078 2.811 . 0 0 "[ . 1 . 2]" 1
1715 1 76 ARG HB2 1 76 ARG HD3 . . 4.220 2.513 2.097 3.654 . 0 0 "[ . 1 . 2]" 1
1716 1 76 ARG HB2 1 77 VAL H . . 4.730 4.549 4.479 4.608 . 0 0 "[ . 1 . 2]" 1
1717 1 76 ARG HB2 1 88 THR MG . . 4.300 4.006 3.359 4.285 . 0 0 "[ . 1 . 2]" 1
1718 1 76 ARG HB2 1 90 THR HB . . 5.500 5.312 4.097 5.504 0.004 8 0 "[ . 1 . 2]" 1
1719 1 76 ARG HB2 1 90 THR MG . . 5.160 4.241 2.486 5.201 0.041 13 0 "[ . 1 . 2]" 1
1720 1 76 ARG HB3 1 78 THR H . . 5.140 4.636 4.059 5.147 0.007 8 0 "[ . 1 . 2]" 1
1721 1 76 ARG HB3 1 88 THR MG . . 4.020 3.225 2.002 3.866 . 0 0 "[ . 1 . 2]" 1
1722 1 76 ARG HB3 1 90 THR MG . . 5.500 4.517 3.857 5.365 . 0 0 "[ . 1 . 2]" 1
1723 1 76 ARG QD 1 88 THR MG . . 3.770 2.872 2.083 3.816 0.046 13 0 "[ . 1 . 2]" 1
1724 1 76 ARG QD 1 90 THR MG . . 5.340 2.906 1.889 4.515 . 0 0 "[ . 1 . 2]" 1
1725 1 76 ARG QG 1 77 VAL H . . 4.420 3.551 3.122 4.115 . 0 0 "[ . 1 . 2]" 1
1726 1 76 ARG QG 1 88 THR HA . . 4.880 4.390 3.654 4.891 0.011 13 0 "[ . 1 . 2]" 1
1727 1 76 ARG QG 1 88 THR HB . . 4.490 4.265 3.976 4.487 . 0 0 "[ . 1 . 2]" 1
1728 1 76 ARG QG 1 88 THR MG . . 3.010 1.983 1.787 2.308 . 0 0 "[ . 1 . 2]" 1
1729 1 76 ARG QG 1 90 THR HA . . 3.950 2.753 2.069 3.471 . 0 0 "[ . 1 . 2]" 1
1730 1 76 ARG QG 1 90 THR HB . . 4.250 3.551 1.960 4.247 . 0 0 "[ . 1 . 2]" 1
1731 1 76 ARG QG 1 90 THR MG . . 3.570 2.220 1.889 3.010 . 0 0 "[ . 1 . 2]" 1
1732 1 76 ARG QG 1 91 GLY H . . 4.950 4.212 3.146 4.980 0.030 13 0 "[ . 1 . 2]" 1
1733 1 77 VAL H 1 77 VAL HB . . 3.120 2.532 2.462 2.633 . 0 0 "[ . 1 . 2]" 1
1734 1 77 VAL H 1 77 VAL MG1 . . 4.180 3.798 3.761 3.838 . 0 0 "[ . 1 . 2]" 1
1735 1 77 VAL H 1 77 VAL MG2 . . 3.470 2.495 2.302 2.640 . 0 0 "[ . 1 . 2]" 1
1736 1 77 VAL H 1 78 THR H . . 4.540 4.201 4.033 4.370 . 0 0 "[ . 1 . 2]" 1
1737 1 77 VAL H 1 88 THR HA . . 4.900 4.596 4.234 4.895 . 0 0 "[ . 1 . 2]" 1
1738 1 77 VAL H 1 88 THR MG . . 3.920 3.632 3.014 3.884 . 0 0 "[ . 1 . 2]" 1
1739 1 77 VAL H 1 89 LEU H . . 3.660 3.142 2.911 3.638 . 0 0 "[ . 1 . 2]" 1
1740 1 77 VAL H 1 90 THR HA . . 4.260 3.692 2.692 4.154 . 0 0 "[ . 1 . 2]" 1
1741 1 77 VAL H 1 90 THR MG . . 5.270 4.653 4.284 5.169 . 0 0 "[ . 1 . 2]" 1
1742 1 77 VAL HA 1 77 VAL MG1 . . 3.610 2.365 2.220 2.455 . 0 0 "[ . 1 . 2]" 1
1743 1 77 VAL HA 1 77 VAL MG2 . . 3.560 2.352 2.261 2.426 . 0 0 "[ . 1 . 2]" 1
1744 1 77 VAL HA 1 78 THR H . . 2.970 2.187 2.143 2.272 . 0 0 "[ . 1 . 2]" 1
1745 1 77 VAL HA 1 78 THR HB . . 5.000 4.823 4.690 4.985 . 0 0 "[ . 1 . 2]" 1
1746 1 77 VAL HB 1 78 THR H . . 5.390 4.407 4.281 4.479 . 0 0 "[ . 1 . 2]" 1
1747 1 77 VAL HB 1 89 LEU H . . 4.660 3.159 2.916 3.391 . 0 0 "[ . 1 . 2]" 1
1748 1 77 VAL MG1 1 78 THR H . . 3.690 3.140 2.864 3.439 . 0 0 "[ . 1 . 2]" 1
1749 1 77 VAL MG1 1 79 CYS H . . 4.840 3.964 3.569 4.226 . 0 0 "[ . 1 . 2]" 1
1750 1 77 VAL MG1 1 89 LEU H . . 4.650 3.980 3.653 4.212 . 0 0 "[ . 1 . 2]" 1
1751 1 77 VAL MG1 1 89 LEU MD1 . . 4.160 3.320 2.777 3.547 . 0 0 "[ . 1 . 2]" 1
1752 1 77 VAL MG2 1 78 THR H . . 4.250 4.203 4.128 4.270 0.020 4 0 "[ . 1 . 2]" 1
1753 1 78 THR H 1 78 THR HB . . 3.360 2.658 2.529 2.830 . 0 0 "[ . 1 . 2]" 1
1754 1 78 THR H 1 78 THR MG . . 4.000 3.822 3.773 3.851 . 0 0 "[ . 1 . 2]" 1
1755 1 78 THR H 1 79 CYS H . . 4.380 4.332 4.181 4.421 0.041 16 0 "[ . 1 . 2]" 1
1756 1 78 THR H 1 88 THR MG . . 4.770 4.215 3.679 4.649 . 0 0 "[ . 1 . 2]" 1
1757 1 78 THR HA 1 78 THR MG . . 3.360 2.290 2.165 2.415 . 0 0 "[ . 1 . 2]" 1
1758 1 78 THR HA 1 79 CYS H . . 2.920 2.154 2.142 2.187 . 0 0 "[ . 1 . 2]" 1
1759 1 78 THR HA 1 88 THR HA . . 3.570 2.300 2.024 2.482 . 0 0 "[ . 1 . 2]" 1
1760 1 78 THR HA 1 89 LEU H . . 3.910 3.575 3.304 3.830 . 0 0 "[ . 1 . 2]" 1
1761 1 78 THR HB 1 79 CYS H . . 4.430 4.254 4.156 4.378 . 0 0 "[ . 1 . 2]" 1
1762 1 78 THR HB 1 80 LEU H . . 5.500 5.001 4.630 5.461 . 0 0 "[ . 1 . 2]" 1
1763 1 78 THR HB 1 80 LEU QD . . 4.850 3.116 2.600 3.914 . 0 0 "[ . 1 . 2]" 1
1764 1 78 THR MG 1 79 CYS H . . 3.400 2.866 2.499 3.196 . 0 0 "[ . 1 . 2]" 1
1765 1 78 THR MG 1 79 CYS HB2 . . 5.500 4.754 4.483 5.215 . 0 0 "[ . 1 . 2]" 1
1766 1 78 THR MG 1 80 LEU QD . . 3.130 2.132 1.799 2.605 . 0 0 "[ . 1 . 2]" 1
1767 1 78 THR MG 1 86 SER QB . . 3.360 2.918 2.362 3.373 0.013 8 0 "[ . 1 . 2]" 1
1768 1 78 THR MG 1 87 SER H . . 3.890 3.699 3.224 3.884 . 0 0 "[ . 1 . 2]" 1
1769 1 79 CYS H 1 79 CYS HB2 . . 3.470 2.532 2.298 3.526 0.056 8 0 "[ . 1 . 2]" 1
1770 1 79 CYS H 1 79 CYS HB3 . . 3.900 3.632 3.340 3.732 . 0 0 "[ . 1 . 2]" 1
1771 1 79 CYS H 1 80 LEU H . . 4.630 4.228 3.878 4.427 . 0 0 "[ . 1 . 2]" 1
1772 1 79 CYS H 1 80 LEU MD1 . . 5.500 5.318 4.857 5.518 0.018 16 0 "[ . 1 . 2]" 1
1773 1 79 CYS H 1 80 LEU MD2 . . 5.500 4.453 4.004 5.515 0.015 8 0 "[ . 1 . 2]" 1
1774 1 79 CYS H 1 86 SER QB . . 4.610 4.280 3.831 4.615 0.005 7 0 "[ . 1 . 2]" 1
1775 1 79 CYS H 1 87 SER H . . 3.500 3.219 2.917 3.496 . 0 0 "[ . 1 . 2]" 1
1776 1 79 CYS H 1 87 SER QB . . 4.850 3.583 3.034 4.454 . 0 0 "[ . 1 . 2]" 1
1777 1 79 CYS H 1 88 THR HA . . 4.040 3.501 2.852 3.942 . 0 0 "[ . 1 . 2]" 1
1778 1 79 CYS HA 1 80 LEU H . . 2.880 2.173 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
1779 1 79 CYS HA 1 80 LEU QD . . 5.440 3.666 3.289 4.817 . 0 0 "[ . 1 . 2]" 1
1780 1 79 CYS HA 1 87 SER H . . 5.500 4.986 4.502 5.409 . 0 0 "[ . 1 . 2]" 1
1781 1 79 CYS HB2 1 80 LEU H . . 4.490 4.391 3.911 4.499 0.009 13 0 "[ . 1 . 2]" 1
1782 1 79 CYS HB2 1 81 TYR QE . . 4.810 3.442 2.724 3.951 . 0 0 "[ . 1 . 2]" 1
1783 1 79 CYS HB2 1 87 SER H . . 4.050 3.290 3.000 3.708 . 0 0 "[ . 1 . 2]" 1
1784 1 79 CYS HB2 1 87 SER QB . . 4.550 3.032 2.003 3.957 . 0 0 "[ . 1 . 2]" 1
1785 1 79 CYS HB3 1 80 LEU H . . 4.500 3.786 3.513 4.274 . 0 0 "[ . 1 . 2]" 1
1786 1 79 CYS HB3 1 81 TYR QE . . 4.210 3.311 2.431 4.218 0.008 8 0 "[ . 1 . 2]" 1
1787 1 79 CYS HB3 1 87 SER H . . 4.750 4.602 4.187 4.794 0.044 8 0 "[ . 1 . 2]" 1
1788 1 79 CYS HB3 1 87 SER QB . . 5.260 4.507 3.515 5.245 . 0 0 "[ . 1 . 2]" 1
1789 1 80 LEU H 1 80 LEU HB2 . . 3.770 2.229 2.161 2.342 . 0 0 "[ . 1 . 2]" 1
1790 1 80 LEU H 1 80 LEU QB . . 3.140 2.206 2.141 2.313 . 0 0 "[ . 1 . 2]" 1
1791 1 80 LEU H 1 80 LEU HB3 . . 3.770 3.520 3.473 3.598 . 0 0 "[ . 1 . 2]" 1
1792 1 80 LEU H 1 80 LEU QD . . 3.760 2.420 2.090 3.386 . 0 0 "[ . 1 . 2]" 1
1793 1 80 LEU H 1 80 LEU HG . . 4.250 3.935 2.851 4.251 0.001 15 0 "[ . 1 . 2]" 1
1794 1 80 LEU H 1 81 TYR H . . 4.590 4.334 4.190 4.500 . 0 0 "[ . 1 . 2]" 1
1795 1 80 LEU H 1 86 SER QB . . 5.340 4.455 4.030 5.018 . 0 0 "[ . 1 . 2]" 1
1796 1 80 LEU HA 1 80 LEU MD1 . . 4.040 2.357 1.915 3.869 . 0 0 "[ . 1 . 2]" 1
1797 1 80 LEU HA 1 80 LEU QD . . 3.170 2.042 1.892 2.519 . 0 0 "[ . 1 . 2]" 1
1798 1 80 LEU HA 1 80 LEU MD2 . . 4.040 2.712 2.295 2.944 . 0 0 "[ . 1 . 2]" 1
1799 1 80 LEU HA 1 80 LEU HG . . 3.880 3.454 2.600 3.681 . 0 0 "[ . 1 . 2]" 1
1800 1 80 LEU HA 1 81 TYR H . . 2.820 2.158 2.142 2.207 . 0 0 "[ . 1 . 2]" 1
1801 1 80 LEU HA 1 81 TYR HA . . 5.500 4.418 4.373 4.471 . 0 0 "[ . 1 . 2]" 1
1802 1 80 LEU HA 1 81 TYR HB2 . . 4.730 4.691 4.543 4.773 0.043 8 0 "[ . 1 . 2]" 1
1803 1 80 LEU HA 1 81 TYR QE . . 5.500 5.340 4.951 5.504 0.004 13 0 "[ . 1 . 2]" 1
1804 1 80 LEU HA 1 86 SER HA . . 4.080 3.344 2.240 4.079 . 0 0 "[ . 1 . 2]" 1
1805 1 80 LEU HA 1 86 SER HB2 . . 4.380 2.853 2.042 3.878 . 0 0 "[ . 1 . 2]" 1
1806 1 80 LEU HA 1 86 SER QB . . 3.760 2.421 1.858 2.895 . 0 0 "[ . 1 . 2]" 1
1807 1 80 LEU HA 1 86 SER HB3 . . 4.380 2.755 2.138 3.703 . 0 0 "[ . 1 . 2]" 1
1808 1 80 LEU HA 1 87 SER H . . 5.500 4.246 3.284 5.006 . 0 0 "[ . 1 . 2]" 1
1809 1 80 LEU QB 1 81 TYR H . . 3.810 3.540 3.254 3.696 . 0 0 "[ . 1 . 2]" 1
1810 1 80 LEU QD 1 81 TYR H . . 3.720 3.323 3.006 3.733 0.013 16 0 "[ . 1 . 2]" 1
1811 1 80 LEU QD 1 86 SER HA . . 4.480 3.876 3.504 4.370 . 0 0 "[ . 1 . 2]" 1
1812 1 80 LEU QD 1 86 SER QB . . 3.040 2.098 1.802 2.548 . 0 0 "[ . 1 . 2]" 1
1813 1 80 LEU MD1 1 87 SER H . . 5.500 4.956 4.270 5.534 0.034 8 0 "[ . 1 . 2]" 1
1814 1 80 LEU MD2 1 87 SER H . . 5.500 4.897 4.062 5.502 0.002 17 0 "[ . 1 . 2]" 1
1815 1 80 LEU HG 1 81 TYR H . . 5.500 5.312 4.754 5.501 0.001 14 0 "[ . 1 . 2]" 1
1816 1 80 LEU HG 1 86 SER QB . . 5.260 4.380 2.440 5.262 0.002 13 0 "[ . 1 . 2]" 1
1817 1 81 TYR H 1 81 TYR HB2 . . 3.280 2.566 2.427 2.679 . 0 0 "[ . 1 . 2]" 1
1818 1 81 TYR H 1 81 TYR HB3 . . 3.800 3.619 3.583 3.671 . 0 0 "[ . 1 . 2]" 1
1819 1 81 TYR H 1 81 TYR QD . . 3.660 2.938 2.411 3.225 . 0 0 "[ . 1 . 2]" 1
1820 1 81 TYR H 1 81 TYR QE . . 4.810 4.401 4.128 4.656 . 0 0 "[ . 1 . 2]" 1
1821 1 81 TYR H 1 82 PRO HD2 . . 4.960 4.805 4.775 4.821 . 0 0 "[ . 1 . 2]" 1
1822 1 81 TYR H 1 86 SER HA . . 3.540 2.817 2.249 3.244 . 0 0 "[ . 1 . 2]" 1
1823 1 81 TYR H 1 86 SER HB2 . . 4.350 3.829 2.597 4.358 0.008 14 0 "[ . 1 . 2]" 1
1824 1 81 TYR H 1 86 SER QB . . 3.660 3.026 2.536 3.430 . 0 0 "[ . 1 . 2]" 1
1825 1 81 TYR H 1 86 SER HB3 . . 4.350 3.267 2.574 4.321 . 0 0 "[ . 1 . 2]" 1
1826 1 81 TYR HA 1 81 TYR QD . . 3.410 2.405 2.001 2.847 . 0 0 "[ . 1 . 2]" 1
1827 1 81 TYR HA 1 82 PRO HB3 . . 4.900 4.833 4.828 4.842 . 0 0 "[ . 1 . 2]" 1
1828 1 81 TYR HA 1 82 PRO HD2 . . 3.660 2.310 2.243 2.379 . 0 0 "[ . 1 . 2]" 1
1829 1 81 TYR HA 1 82 PRO HD3 . . 3.620 2.270 2.255 2.289 . 0 0 "[ . 1 . 2]" 1
1830 1 81 TYR HA 1 82 PRO HG2 . . 5.500 4.439 4.385 4.494 . 0 0 "[ . 1 . 2]" 1
1831 1 81 TYR HA 1 82 PRO HG3 . . 4.840 4.420 4.385 4.457 . 0 0 "[ . 1 . 2]" 1
1832 1 81 TYR HB2 1 82 PRO HD2 . . 4.270 3.639 3.443 3.756 . 0 0 "[ . 1 . 2]" 1
1833 1 81 TYR HB2 1 82 PRO HD3 . . 5.060 4.698 4.567 4.775 . 0 0 "[ . 1 . 2]" 1
1834 1 81 TYR HB3 1 82 PRO HA . . 5.390 5.057 4.949 5.119 . 0 0 "[ . 1 . 2]" 1
1835 1 81 TYR HB3 1 82 PRO HD2 . . 3.890 2.160 2.000 2.304 . 0 0 "[ . 1 . 2]" 1
1836 1 81 TYR HB3 1 82 PRO HD3 . . 4.170 3.581 3.427 3.706 . 0 0 "[ . 1 . 2]" 1
1837 1 81 TYR HB3 1 82 PRO HG2 . . 4.830 3.973 3.882 4.101 . 0 0 "[ . 1 . 2]" 1
1838 1 81 TYR HB3 1 82 PRO HG3 . . 5.260 4.829 4.689 4.971 . 0 0 "[ . 1 . 2]" 1
1839 1 81 TYR QD 1 82 PRO HD2 . . 4.010 3.227 2.921 3.696 . 0 0 "[ . 1 . 2]" 1
1840 1 81 TYR QD 1 82 PRO HD3 . . 3.990 3.807 3.629 3.986 . 0 0 "[ . 1 . 2]" 1
1841 1 81 TYR QD 1 85 GLY H . . 4.920 4.075 2.545 4.916 . 0 0 "[ . 1 . 2]" 1
1842 1 81 TYR QD 1 85 GLY HA2 . . 4.570 4.322 3.705 4.574 0.004 16 0 "[ . 1 . 2]" 1
1843 1 81 TYR QD 1 85 GLY QA . . 3.950 3.283 2.459 3.649 . 0 0 "[ . 1 . 2]" 1
1844 1 81 TYR QD 1 85 GLY HA3 . . 4.570 3.411 2.496 3.861 . 0 0 "[ . 1 . 2]" 1
1845 1 81 TYR QD 1 86 SER H . . 4.130 3.338 2.536 3.869 . 0 0 "[ . 1 . 2]" 1
1846 1 81 TYR QD 1 87 SER H . . 4.700 4.184 3.631 4.701 0.001 16 0 "[ . 1 . 2]" 1
1847 1 81 TYR QE 1 85 GLY QA . . 5.340 4.508 3.214 4.836 . 0 0 "[ . 1 . 2]" 1
1848 1 81 TYR QE 1 86 SER H . . 4.560 3.805 3.344 4.168 . 0 0 "[ . 1 . 2]" 1
1849 1 81 TYR QE 1 86 SER HA . . 4.240 2.797 2.253 3.469 . 0 0 "[ . 1 . 2]" 1
1850 1 81 TYR QE 1 87 SER H . . 4.200 3.170 2.316 4.147 . 0 0 "[ . 1 . 2]" 1
1851 1 81 TYR QE 1 87 SER QB . . 3.910 2.867 2.235 3.487 . 0 0 "[ . 1 . 2]" 1
1852 1 84 GLY H 1 85 GLY H . . 4.180 3.020 2.014 4.164 . 0 0 "[ . 1 . 2]" 1
1853 1 84 GLY H 1 85 GLY QA . . 4.660 4.155 3.837 4.659 . 0 0 "[ . 1 . 2]" 1
1854 1 85 GLY HA2 1 86 SER H . . 3.130 2.756 2.281 3.239 0.109 17 0 "[ . 1 . 2]" 1
1855 1 85 GLY HA3 1 86 SER H . . 3.130 2.488 2.158 3.311 0.181 17 0 "[ . 1 . 2]" 1
1856 1 86 SER H 1 86 SER QB . . 3.660 3.186 2.466 3.339 . 0 0 "[ . 1 . 2]" 1
1857 1 86 SER H 1 87 SER H . . 4.380 4.305 4.158 4.426 0.046 17 0 "[ . 1 . 2]" 1
1858 1 86 SER HA 1 87 SER H . . 3.030 2.342 2.138 2.595 . 0 0 "[ . 1 . 2]" 1
1859 1 86 SER QB 1 87 SER H . . 3.350 2.654 2.171 3.376 0.026 17 0 "[ . 1 . 2]" 1
1860 1 87 SER H 1 87 SER QB . . 3.320 2.540 2.274 3.045 . 0 0 "[ . 1 . 2]" 1
1861 1 87 SER QB 1 88 THR H . . 5.010 2.894 1.917 3.599 . 0 0 "[ . 1 . 2]" 1
1862 1 88 THR H 1 88 THR HB . . 4.100 2.890 2.689 3.081 . 0 0 "[ . 1 . 2]" 1
1863 1 88 THR HA 1 88 THR MG . . 3.440 2.296 2.197 2.378 . 0 0 "[ . 1 . 2]" 1
1864 1 88 THR HA 1 89 LEU H . . 2.960 2.162 2.142 2.206 . 0 0 "[ . 1 . 2]" 1
1865 1 88 THR HA 1 89 LEU HB2 . . 5.190 4.352 4.230 4.456 . 0 0 "[ . 1 . 2]" 1
1866 1 88 THR HB 1 89 LEU H . . 4.340 4.265 3.948 4.387 0.047 13 0 "[ . 1 . 2]" 1
1867 1 88 THR MG 1 89 LEU H . . 3.410 2.807 2.162 3.221 . 0 0 "[ . 1 . 2]" 1
1868 1 88 THR MG 1 90 THR H . . 4.720 3.987 3.635 4.232 . 0 0 "[ . 1 . 2]" 1
1869 1 88 THR MG 1 90 THR HA . . 4.480 4.037 3.916 4.183 . 0 0 "[ . 1 . 2]" 1
1870 1 89 LEU H 1 89 LEU HB2 . . 3.500 2.298 2.180 2.423 . 0 0 "[ . 1 . 2]" 1
1871 1 89 LEU H 1 89 LEU MD1 . . 4.150 3.752 3.514 4.092 . 0 0 "[ . 1 . 2]" 1
1872 1 89 LEU H 1 89 LEU MD2 . . 4.410 4.216 4.101 4.410 0.000 18 0 "[ . 1 . 2]" 1
1873 1 89 LEU H 1 89 LEU HG . . 3.800 3.268 2.992 3.572 . 0 0 "[ . 1 . 2]" 1
1874 1 89 LEU H 1 90 THR H . . 4.590 4.244 4.102 4.340 . 0 0 "[ . 1 . 2]" 1
1875 1 89 LEU HB2 1 89 LEU MD1 . . 3.610 2.199 2.077 2.315 . 0 0 "[ . 1 . 2]" 1
1876 1 89 LEU HB2 1 90 THR H . . 4.730 4.510 4.411 4.548 . 0 0 "[ . 1 . 2]" 1
1877 1 89 LEU HB3 1 89 LEU MD1 . . 3.620 2.505 2.381 2.654 . 0 0 "[ . 1 . 2]" 1
1878 1 89 LEU HB3 1 89 LEU MD2 . . 3.250 2.191 2.024 2.328 . 0 0 "[ . 1 . 2]" 1
1879 1 89 LEU HB3 1 90 THR H . . 3.800 3.736 3.551 3.826 0.026 13 0 "[ . 1 . 2]" 1
1880 1 89 LEU MD2 1 90 THR H . . 3.750 3.554 3.257 3.753 0.003 19 0 "[ . 1 . 2]" 1
1881 1 89 LEU HG 1 90 THR H . . 4.850 4.790 4.636 4.850 0.000 12 0 "[ . 1 . 2]" 1
1882 1 90 THR H 1 90 THR HB . . 3.780 3.600 2.891 3.680 . 0 0 "[ . 1 . 2]" 1
1883 1 90 THR H 1 90 THR MG . . 3.620 2.321 1.824 3.756 0.136 19 0 "[ . 1 . 2]" 1
1884 1 90 THR H 1 91 GLY H . . 4.590 4.555 4.431 4.611 0.021 14 0 "[ . 1 . 2]" 1
1885 1 90 THR HA 1 90 THR MG . . 3.160 2.468 2.218 3.113 . 0 0 "[ . 1 . 2]" 1
1886 1 90 THR HA 1 91 GLY H . . 2.900 2.215 2.150 2.353 . 0 0 "[ . 1 . 2]" 1
1887 1 90 THR HA 1 91 GLY HA2 . . 5.340 4.449 4.403 4.507 . 0 0 "[ . 1 . 2]" 1
1888 1 90 THR HA 1 91 GLY QA . . 4.470 3.907 3.902 3.917 . 0 0 "[ . 1 . 2]" 1
1889 1 90 THR HA 1 91 GLY HA3 . . 5.340 4.329 4.303 4.367 . 0 0 "[ . 1 . 2]" 1
1890 1 90 THR HB 1 91 GLY H . . 3.730 3.106 2.818 3.425 . 0 0 "[ . 1 . 2]" 1
1891 1 90 THR MG 1 91 GLY H . . 4.530 3.951 1.991 4.245 . 0 0 "[ . 1 . 2]" 1
1892 1 90 THR MG 1 91 GLY QA . . 5.340 4.889 3.643 5.049 . 0 0 "[ . 1 . 2]" 1
1893 1 91 GLY H 1 92 ARG H . . 4.250 4.140 3.919 4.295 0.045 19 0 "[ . 1 . 2]" 1
1894 1 91 GLY QA 1 92 ARG H . . 2.800 2.133 2.110 2.239 . 0 0 "[ . 1 . 2]" 1
1895 1 91 GLY QA 1 92 ARG HA . . 5.340 3.989 3.962 4.018 . 0 0 "[ . 1 . 2]" 1
1896 1 91 GLY QA 1 92 ARG QB . . 4.810 4.048 3.935 4.164 . 0 0 "[ . 1 . 2]" 1
1897 1 91 GLY QA 1 92 ARG QG . . 4.480 3.893 3.179 4.248 . 0 0 "[ . 1 . 2]" 1
1898 1 91 GLY HA2 1 92 ARG H . . 3.430 2.244 2.138 2.810 . 0 0 "[ . 1 . 2]" 1
1899 1 91 GLY HA3 1 92 ARG H . . 3.430 3.087 2.344 3.324 . 0 0 "[ . 1 . 2]" 1
1900 1 92 ARG H 1 92 ARG QB . . 3.070 2.385 2.181 2.878 . 0 0 "[ . 1 . 2]" 1
1901 1 92 ARG H 1 92 ARG QD . . 4.710 4.415 3.917 4.720 0.010 20 0 "[ . 1 . 2]" 1
1902 1 92 ARG H 1 92 ARG QG . . 3.380 2.996 2.576 3.357 . 0 0 "[ . 1 . 2]" 1
1903 1 92 ARG HA 1 92 ARG QD . . 4.030 3.764 2.434 4.040 0.010 2 0 "[ . 1 . 2]" 1
1904 1 92 ARG HA 1 92 ARG QG . . 3.380 2.326 2.218 2.462 . 0 0 "[ . 1 . 2]" 1
1905 1 92 ARG HA 1 93 VAL H . . 2.690 2.175 2.140 2.263 . 0 0 "[ . 1 . 2]" 1
1906 1 92 ARG HA 1 93 VAL HA . . 4.580 4.415 4.395 4.457 . 0 0 "[ . 1 . 2]" 1
1907 1 92 ARG HA 1 93 VAL MG1 . . 4.110 3.632 3.378 3.879 . 0 0 "[ . 1 . 2]" 1
1908 1 92 ARG QB 1 92 ARG QD . . 2.780 2.142 2.061 2.406 . 0 0 "[ . 1 . 2]" 1
1909 1 92 ARG QB 1 93 VAL H . . 3.490 3.130 2.769 3.396 . 0 0 "[ . 1 . 2]" 1
1910 1 92 ARG QB 1 93 VAL HA . . 4.520 4.080 3.918 4.212 . 0 0 "[ . 1 . 2]" 1
1911 1 92 ARG QB 1 93 VAL MG1 . . 5.500 4.633 4.338 4.819 . 0 0 "[ . 1 . 2]" 1
1912 1 92 ARG QD 1 93 VAL H . . 5.430 4.790 3.028 5.396 . 0 0 "[ . 1 . 2]" 1
1913 1 92 ARG QG 1 93 VAL H . . 4.340 3.919 3.558 4.140 . 0 0 "[ . 1 . 2]" 1
1914 1 93 VAL H 1 93 VAL HB . . 3.900 3.278 3.080 3.449 . 0 0 "[ . 1 . 2]" 1
1915 1 93 VAL H 1 93 VAL MG1 . . 3.100 2.092 1.898 2.275 . 0 0 "[ . 1 . 2]" 1
1916 1 93 VAL H 1 93 VAL MG2 . . 4.100 3.878 3.802 3.965 . 0 0 "[ . 1 . 2]" 1
1917 1 93 VAL H 1 94 THR H . . 4.500 4.250 4.001 4.445 . 0 0 "[ . 1 . 2]" 1
1918 1 93 VAL H 1 94 THR HA . . 5.100 4.724 4.564 4.919 . 0 0 "[ . 1 . 2]" 1
1919 1 93 VAL HA 1 93 VAL MG1 . . 3.710 3.185 3.162 3.200 . 0 0 "[ . 1 . 2]" 1
1920 1 93 VAL HA 1 93 VAL MG2 . . 3.100 2.391 2.311 2.466 . 0 0 "[ . 1 . 2]" 1
1921 1 93 VAL HA 1 94 THR H . . 2.650 2.163 2.139 2.204 . 0 0 "[ . 1 . 2]" 1
1922 1 93 VAL HA 1 94 THR HA . . 4.810 4.386 4.372 4.441 . 0 0 "[ . 1 . 2]" 1
1923 1 93 VAL HA 1 94 THR HB . . 4.710 4.636 4.566 4.709 . 0 0 "[ . 1 . 2]" 1
1924 1 93 VAL HB 1 94 THR H . . 4.460 4.167 3.894 4.377 . 0 0 "[ . 1 . 2]" 1
1925 1 93 VAL MG1 1 94 THR H . . 4.210 4.042 3.804 4.211 0.001 10 0 "[ . 1 . 2]" 1
1926 1 93 VAL MG1 1 95 THR H . . 4.670 4.271 3.878 4.547 . 0 0 "[ . 1 . 2]" 1
1927 1 93 VAL MG1 1 95 THR MG . . 3.790 3.535 3.299 3.773 . 0 0 "[ . 1 . 2]" 1
1928 1 93 VAL MG2 1 94 THR H . . 3.000 2.461 2.038 2.977 . 0 0 "[ . 1 . 2]" 1
1929 1 93 VAL MG2 1 94 THR HB . . 4.400 4.257 4.051 4.420 0.020 15 0 "[ . 1 . 2]" 1
1930 1 93 VAL MG2 1 95 THR H . . 4.540 3.909 3.529 4.337 . 0 0 "[ . 1 . 2]" 1
1931 1 93 VAL MG2 1 95 THR HA . . 4.570 3.582 3.316 3.938 . 0 0 "[ . 1 . 2]" 1
1932 1 93 VAL MG2 1 95 THR MG . . 4.300 3.510 3.120 3.892 . 0 0 "[ . 1 . 2]" 1
1933 1 94 THR H 1 94 THR HB . . 3.000 2.529 2.461 2.610 . 0 0 "[ . 1 . 2]" 1
1934 1 94 THR H 1 94 THR MG . . 3.890 3.799 3.759 3.837 . 0 0 "[ . 1 . 2]" 1
1935 1 94 THR H 1 95 THR H . . 4.350 4.291 4.124 4.351 0.001 17 0 "[ . 1 . 2]" 1
1936 1 94 THR HA 1 94 THR MG . . 3.230 2.407 2.287 2.462 . 0 0 "[ . 1 . 2]" 1
1937 1 94 THR HA 1 95 THR H . . 2.810 2.160 2.142 2.198 . 0 0 "[ . 1 . 2]" 1
1938 1 94 THR HA 1 95 THR HA . . 5.190 4.432 4.401 4.479 . 0 0 "[ . 1 . 2]" 1
1939 1 94 THR HA 1 95 THR MG . . 4.370 4.253 4.109 4.339 . 0 0 "[ . 1 . 2]" 1
1940 1 94 THR HB 1 95 THR H . . 4.540 4.377 4.299 4.446 . 0 0 "[ . 1 . 2]" 1
1941 1 95 THR H 1 95 THR HG1 . . 3.790 3.331 3.124 3.510 . 0 0 "[ . 1 . 2]" 1
1942 1 95 THR H 1 95 THR MG . . 2.880 2.586 2.390 2.731 . 0 0 "[ . 1 . 2]" 1
1943 1 95 THR H 1 96 LYS H . . 4.760 4.635 4.590 4.648 . 0 0 "[ . 1 . 2]" 1
1944 1 95 THR HA 1 95 THR MG . . 3.190 2.129 2.055 2.256 . 0 0 "[ . 1 . 2]" 1
1945 1 95 THR HA 1 96 LYS H . . 2.950 2.292 2.182 2.383 . 0 0 "[ . 1 . 2]" 1
1946 1 95 THR HA 1 96 LYS HG2 . . 4.470 4.208 3.805 4.485 0.015 8 0 "[ . 1 . 2]" 1
1947 1 95 THR HA 1 96 LYS QG . . 3.900 3.650 3.475 3.873 . 0 0 "[ . 1 . 2]" 1
1948 1 95 THR HA 1 96 LYS HG3 . . 4.470 4.012 3.918 4.235 . 0 0 "[ . 1 . 2]" 1
1949 1 95 THR HG1 1 95 THR MG . . 3.190 2.760 2.519 3.022 . 0 0 "[ . 1 . 2]" 1
1950 1 95 THR HG1 1 96 LYS H . . 4.920 4.475 3.948 4.882 . 0 0 "[ . 1 . 2]" 1
1951 1 95 THR MG 1 96 LYS H . . 4.320 3.516 3.419 3.677 . 0 0 "[ . 1 . 2]" 1
1952 1 96 LYS H 1 96 LYS HB2 . . 3.920 2.617 2.495 2.777 . 0 0 "[ . 1 . 2]" 1
1953 1 96 LYS H 1 96 LYS QB . . 3.370 2.557 2.451 2.688 . 0 0 "[ . 1 . 2]" 1
1954 1 96 LYS H 1 96 LYS HB3 . . 3.920 3.600 3.567 3.629 . 0 0 "[ . 1 . 2]" 1
1955 1 96 LYS H 1 96 LYS QD . . 4.160 4.076 3.962 4.158 . 0 0 "[ . 1 . 2]" 1
1956 1 96 LYS H 1 96 LYS QE . . 4.660 4.438 4.125 4.665 0.005 8 0 "[ . 1 . 2]" 1
1957 1 96 LYS H 1 96 LYS HG2 . . 3.570 2.805 2.388 3.084 . 0 0 "[ . 1 . 2]" 1
1958 1 96 LYS H 1 96 LYS QG . . 2.930 2.215 2.047 2.349 . 0 0 "[ . 1 . 2]" 1
1959 1 96 LYS H 1 96 LYS HG3 . . 3.570 2.325 2.134 2.473 . 0 0 "[ . 1 . 2]" 1
1960 1 96 LYS H 1 97 LYS H . . 4.780 4.603 4.571 4.630 . 0 0 "[ . 1 . 2]" 1
1961 1 96 LYS HA 1 96 LYS QD . . 3.820 3.753 3.691 3.820 . 0 0 "[ . 1 . 2]" 1
1962 1 96 LYS HA 1 96 LYS QE . . 4.320 4.234 4.127 4.390 0.070 8 0 "[ . 1 . 2]" 1
1963 1 96 LYS HA 1 96 LYS HG2 . . 3.740 2.525 2.383 2.682 . 0 0 "[ . 1 . 2]" 1
1964 1 96 LYS HA 1 96 LYS QG . . 3.260 2.472 2.342 2.620 . 0 0 "[ . 1 . 2]" 1
1965 1 96 LYS HA 1 96 LYS HG3 . . 3.740 3.521 3.437 3.684 . 0 0 "[ . 1 . 2]" 1
1966 1 96 LYS HA 1 97 LYS H . . 2.700 2.449 2.380 2.525 . 0 0 "[ . 1 . 2]" 1
1967 1 96 LYS HA 1 97 LYS HA . . 4.420 4.318 4.299 4.339 . 0 0 "[ . 1 . 2]" 1
1968 1 96 LYS QB 1 96 LYS QD . . 3.030 2.007 1.975 2.037 . 0 0 "[ . 1 . 2]" 1
1969 1 96 LYS QB 1 96 LYS QE . . 4.000 3.441 3.387 3.615 . 0 0 "[ . 1 . 2]" 1
1970 1 96 LYS QB 1 97 LYS H . . 2.870 2.337 2.153 2.493 . 0 0 "[ . 1 . 2]" 1
1971 1 96 LYS HB2 1 96 LYS QD . . 3.660 2.718 2.670 2.771 . 0 0 "[ . 1 . 2]" 1
1972 1 96 LYS HB2 1 96 LYS QE . . 4.630 4.177 4.153 4.279 . 0 0 "[ . 1 . 2]" 1
1973 1 96 LYS HB2 1 97 LYS H . . 3.430 3.385 3.237 3.449 0.019 11 0 "[ . 1 . 2]" 1
1974 1 96 LYS HB3 1 96 LYS QD . . 3.660 2.068 2.022 2.111 . 0 0 "[ . 1 . 2]" 1
1975 1 96 LYS HB3 1 96 LYS QE . . 4.630 3.663 3.577 3.898 . 0 0 "[ . 1 . 2]" 1
1976 1 96 LYS HB3 1 97 LYS H . . 3.430 2.383 2.177 2.558 . 0 0 "[ . 1 . 2]" 1
1977 1 96 LYS QD 1 97 LYS H . . 4.510 4.135 3.792 4.306 . 0 0 "[ . 1 . 2]" 1
1978 1 96 LYS QE 1 96 LYS HG2 . . 3.520 2.230 2.068 2.281 . 0 0 "[ . 1 . 2]" 1
1979 1 96 LYS QE 1 96 LYS QG . . 3.040 2.121 2.013 2.141 . 0 0 "[ . 1 . 2]" 1
1980 1 96 LYS QE 1 96 LYS HG3 . . 3.520 2.663 2.593 2.763 . 0 0 "[ . 1 . 2]" 1
1981 1 96 LYS QE 1 97 LYS H . . 5.500 5.435 5.288 5.570 0.070 15 0 "[ . 1 . 2]" 1
1982 1 96 LYS HG2 1 97 LYS H . . 5.310 4.351 4.138 4.575 . 0 0 "[ . 1 . 2]" 1
1983 1 96 LYS HG3 1 97 LYS H . . 5.310 4.994 4.867 5.104 . 0 0 "[ . 1 . 2]" 1
1984 1 97 LYS H 1 97 LYS QB . . 2.730 2.183 2.141 2.213 . 0 0 "[ . 1 . 2]" 1
1985 1 97 LYS H 1 97 LYS QD . . 4.320 3.406 2.123 4.409 0.089 11 0 "[ . 1 . 2]" 1
1986 1 97 LYS H 1 97 LYS QE . . 4.910 4.026 2.227 4.941 0.031 11 0 "[ . 1 . 2]" 1
1987 1 97 LYS H 1 97 LYS HG2 . . 4.700 4.083 3.065 4.319 . 0 0 "[ . 1 . 2]" 1
1988 1 97 LYS H 1 97 LYS QG . . 4.030 3.158 2.812 3.599 . 0 0 "[ . 1 . 2]" 1
1989 1 97 LYS H 1 97 LYS HG3 . . 4.700 3.350 2.890 3.969 . 0 0 "[ . 1 . 2]" 1
1990 1 97 LYS H 1 98 ALA H . . 4.630 4.579 4.531 4.641 0.011 11 0 "[ . 1 . 2]" 1
1991 1 97 LYS HA 1 97 LYS QD . . 4.240 3.528 2.550 4.080 . 0 0 "[ . 1 . 2]" 1
1992 1 97 LYS HA 1 97 LYS QE . . 4.680 4.258 2.688 4.689 0.009 15 0 "[ . 1 . 2]" 1
1993 1 97 LYS HA 1 97 LYS HG2 . . 4.120 2.915 2.306 3.613 . 0 0 "[ . 1 . 2]" 1
1994 1 97 LYS HA 1 97 LYS QG . . 3.610 2.283 2.180 2.334 . 0 0 "[ . 1 . 2]" 1
1995 1 97 LYS HA 1 97 LYS HG3 . . 4.120 2.565 2.202 3.586 . 0 0 "[ . 1 . 2]" 1
1996 1 97 LYS HA 1 98 ALA H . . 2.600 2.201 2.168 2.344 . 0 0 "[ . 1 . 2]" 1
1997 1 97 LYS HA 1 98 ALA HA . . 4.490 4.354 4.336 4.369 . 0 0 "[ . 1 . 2]" 1
1998 1 97 LYS HA 1 98 ALA MB . . 4.110 3.955 3.901 4.012 . 0 0 "[ . 1 . 2]" 1
1999 1 97 LYS QB 1 98 ALA H . . 3.200 3.043 2.656 3.174 . 0 0 "[ . 1 . 2]" 1
2000 1 97 LYS QB 1 98 ALA HA . . 4.890 4.421 4.248 4.605 . 0 0 "[ . 1 . 2]" 1
2001 1 97 LYS QD 1 98 ALA H . . 5.500 4.828 2.444 5.417 . 0 0 "[ . 1 . 2]" 1
2002 1 97 LYS QE 1 97 LYS HG2 . . 3.470 2.670 2.086 3.451 . 0 0 "[ . 1 . 2]" 1
2003 1 97 LYS QE 1 97 LYS QG . . 3.010 2.216 2.045 2.532 . 0 0 "[ . 1 . 2]" 1
2004 1 97 LYS QE 1 97 LYS HG3 . . 3.470 2.692 2.067 3.427 . 0 0 "[ . 1 . 2]" 1
2005 1 97 LYS QG 1 98 ALA H . . 3.690 3.631 3.462 3.846 0.156 11 0 "[ . 1 . 2]" 1
2006 1 98 ALA H 1 98 ALA MB . . 2.730 2.192 2.053 2.290 . 0 0 "[ . 1 . 2]" 1
2007 1 98 ALA H 1 99 PRO QD . . 4.410 4.359 4.328 4.373 . 0 0 "[ . 1 . 2]" 1
2008 1 98 ALA HA 1 99 PRO QD . . 2.920 2.014 1.992 2.054 . 0 0 "[ . 1 . 2]" 1
2009 1 98 ALA HA 1 99 PRO HG2 . . 4.550 4.401 4.366 4.461 . 0 0 "[ . 1 . 2]" 1
2010 1 98 ALA HA 1 99 PRO QG . . 3.980 3.919 3.894 3.963 . 0 0 "[ . 1 . 2]" 1
2011 1 98 ALA HA 1 99 PRO HG3 . . 4.550 4.397 4.376 4.435 . 0 0 "[ . 1 . 2]" 1
2012 1 98 ALA MB 1 99 PRO QB . . 5.340 4.628 4.553 4.688 . 0 0 "[ . 1 . 2]" 1
2013 1 98 ALA MB 1 99 PRO QD . . 3.060 2.295 2.104 2.441 . 0 0 "[ . 1 . 2]" 1
2014 1 98 ALA MB 1 99 PRO HG2 . . 4.900 3.926 3.800 4.072 . 0 0 "[ . 1 . 2]" 1
2015 1 98 ALA MB 1 99 PRO QG . . 4.190 3.730 3.623 3.851 . 0 0 "[ . 1 . 2]" 1
2016 1 98 ALA MB 1 99 PRO HG3 . . 4.900 4.656 4.533 4.746 . 0 0 "[ . 1 . 2]" 1
2017 1 99 PRO HA 1 100 SER H . . 3.570 2.607 2.161 3.569 . 0 0 "[ . 1 . 2]" 1
2018 1 99 PRO QG 1 100 SER H . . 5.030 3.887 1.937 4.754 . 0 0 "[ . 1 . 2]" 1
2019 1 104 GLY QA 1 105 PRO QD . . 3.220 1.954 1.847 2.062 . 0 0 "[ . 1 . 2]" 1
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