NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402990 |
1wi8   |
10077 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi8
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 1405
_Distance_constraint_stats_list.Viol_count 433
_Distance_constraint_stats_list.Viol_total 85.521
_Distance_constraint_stats_list.Viol_max 0.116
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0099
_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 9 ARG 0.011 0.008 17 0 "[ . 1 . 2]"
1 10 LEU 0.191 0.071 20 0 "[ . 1 . 2]"
1 11 PRO 0.050 0.011 19 0 "[ . 1 . 2]"
1 12 LYS 0.003 0.003 10 0 "[ . 1 . 2]"
1 13 SER 0.010 0.008 17 0 "[ . 1 . 2]"
1 14 PRO 0.008 0.006 19 0 "[ . 1 . 2]"
1 15 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.103 0.012 16 0 "[ . 1 . 2]"
1 17 THR 0.051 0.016 16 0 "[ . 1 . 2]"
1 18 ALA 0.136 0.019 14 0 "[ . 1 . 2]"
1 19 PHE 0.043 0.017 16 0 "[ . 1 . 2]"
1 20 LEU 0.005 0.002 8 0 "[ . 1 . 2]"
1 21 GLY 0.030 0.007 3 0 "[ . 1 . 2]"
1 22 ASN 0.037 0.009 16 0 "[ . 1 . 2]"
1 23 LEU 0.036 0.007 14 0 "[ . 1 . 2]"
1 24 PRO 0.066 0.013 9 0 "[ . 1 . 2]"
1 25 TYR 0.615 0.092 10 0 "[ . 1 . 2]"
1 26 ASP 0.006 0.005 7 0 "[ . 1 . 2]"
1 27 VAL 0.101 0.058 2 0 "[ . 1 . 2]"
1 28 THR 0.092 0.058 2 0 "[ . 1 . 2]"
1 29 GLU 0.182 0.113 5 0 "[ . 1 . 2]"
1 30 GLU 0.052 0.040 4 0 "[ . 1 . 2]"
1 31 SER 0.026 0.007 4 0 "[ . 1 . 2]"
1 32 ILE 0.013 0.006 19 0 "[ . 1 . 2]"
1 33 LYS 0.067 0.040 4 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PHE 0.007 0.005 19 0 "[ . 1 . 2]"
1 36 PHE 0.034 0.006 4 0 "[ . 1 . 2]"
1 37 ARG 0.106 0.040 3 0 "[ . 1 . 2]"
1 38 GLY 0.002 0.002 3 0 "[ . 1 . 2]"
1 39 LEU 0.079 0.020 16 0 "[ . 1 . 2]"
1 40 ASN 0.073 0.020 16 0 "[ . 1 . 2]"
1 41 ILE 0.062 0.007 5 0 "[ . 1 . 2]"
1 42 SER 0.171 0.073 8 0 "[ . 1 . 2]"
1 43 ALA 0.156 0.073 8 0 "[ . 1 . 2]"
1 44 VAL 0.221 0.060 11 0 "[ . 1 . 2]"
1 45 ARG 0.017 0.008 13 0 "[ . 1 . 2]"
1 46 LEU 0.205 0.060 11 0 "[ . 1 . 2]"
1 47 PRO 0.044 0.018 14 0 "[ . 1 . 2]"
1 48 ARG 0.021 0.007 18 0 "[ . 1 . 2]"
1 49 GLU 0.119 0.023 13 0 "[ . 1 . 2]"
1 50 PRO 0.012 0.012 18 0 "[ . 1 . 2]"
1 51 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASN 0.043 0.019 12 0 "[ . 1 . 2]"
1 53 PRO 0.034 0.019 12 0 "[ . 1 . 2]"
1 54 GLU 0.053 0.027 8 0 "[ . 1 . 2]"
1 55 ARG 0.166 0.027 8 0 "[ . 1 . 2]"
1 56 LEU 0.044 0.020 18 0 "[ . 1 . 2]"
1 57 LYS 0.406 0.116 6 0 "[ . 1 . 2]"
1 58 GLY 0.344 0.116 6 0 "[ . 1 . 2]"
1 59 PHE 0.019 0.005 13 0 "[ . 1 . 2]"
1 60 GLY 0.075 0.016 14 0 "[ . 1 . 2]"
1 61 TYR 0.041 0.009 19 0 "[ . 1 . 2]"
1 62 ALA 0.109 0.032 10 0 "[ . 1 . 2]"
1 63 GLU 0.075 0.021 10 0 "[ . 1 . 2]"
1 64 PHE 0.164 0.033 16 0 "[ . 1 . 2]"
1 65 GLU 0.004 0.002 10 0 "[ . 1 . 2]"
1 66 ASP 0.006 0.004 19 0 "[ . 1 . 2]"
1 67 LEU 0.023 0.006 19 0 "[ . 1 . 2]"
1 68 ASP 0.044 0.014 16 0 "[ . 1 . 2]"
1 69 SER 0.007 0.006 8 0 "[ . 1 . 2]"
1 70 LEU 0.290 0.033 16 0 "[ . 1 . 2]"
1 71 LEU 0.251 0.033 16 0 "[ . 1 . 2]"
1 72 SER 0.119 0.020 16 0 "[ . 1 . 2]"
1 73 ALA 0.061 0.022 16 0 "[ . 1 . 2]"
1 74 LEU 0.009 0.005 17 0 "[ . 1 . 2]"
1 75 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.029 0.019 17 0 "[ . 1 . 2]"
1 77 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLU 0.049 0.011 17 0 "[ . 1 . 2]"
1 79 GLU 0.030 0.006 9 0 "[ . 1 . 2]"
1 80 SER 0.026 0.015 14 0 "[ . 1 . 2]"
1 81 LEU 0.134 0.028 16 0 "[ . 1 . 2]"
1 82 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LYS 0.095 0.042 14 0 "[ . 1 . 2]"
1 85 ARG 0.088 0.015 14 0 "[ . 1 . 2]"
1 86 ILE 0.310 0.031 8 0 "[ . 1 . 2]"
1 87 ARG 0.255 0.031 8 0 "[ . 1 . 2]"
1 88 VAL 0.034 0.014 14 0 "[ . 1 . 2]"
1 89 ASP 0.025 0.007 9 0 "[ . 1 . 2]"
1 90 VAL 0.089 0.016 14 0 "[ . 1 . 2]"
1 91 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 ALA 0.014 0.014 7 0 "[ . 1 . 2]"
1 95 GLN 0.014 0.014 7 0 "[ . 1 . 2]"
1 97 LYS 0.231 0.104 13 0 "[ . 1 . 2]"
1 98 ASP 0.104 0.104 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ARG H 1 9 ARG QG . . 4.070 3.474 2.367 4.078 0.008 17 0 "[ . 1 . 2]" 1
2 1 9 ARG H 1 10 LEU H . . 4.550 4.124 2.770 4.460 . 0 0 "[ . 1 . 2]" 1
3 1 9 ARG HA 1 9 ARG QD . . 4.590 2.999 1.981 4.255 . 0 0 "[ . 1 . 2]" 1
4 1 9 ARG HA 1 9 ARG QG . . 3.850 2.602 2.267 3.328 . 0 0 "[ . 1 . 2]" 1
5 1 9 ARG HA 1 10 LEU H . . 3.080 2.253 2.141 2.833 . 0 0 "[ . 1 . 2]" 1
6 1 9 ARG QB 1 10 LEU H . . 4.120 3.510 1.952 4.006 . 0 0 "[ . 1 . 2]" 1
7 1 10 LEU H 1 10 LEU HB3 . . 3.000 2.461 2.164 2.932 . 0 0 "[ . 1 . 2]" 1
8 1 10 LEU H 1 10 LEU MD1 . . 4.400 3.666 1.758 4.264 . 0 0 "[ . 1 . 2]" 1
9 1 10 LEU H 1 10 LEU QD . . 3.800 3.083 1.754 3.416 . 0 0 "[ . 1 . 2]" 1
10 1 10 LEU H 1 10 LEU MD2 . . 4.400 3.489 3.243 3.693 . 0 0 "[ . 1 . 2]" 1
11 1 10 LEU H 1 10 LEU HG . . 3.730 2.746 2.389 3.718 . 0 0 "[ . 1 . 2]" 1
12 1 10 LEU H 1 11 PRO HD3 . . 5.290 5.015 4.912 5.057 . 0 0 "[ . 1 . 2]" 1
13 1 10 LEU HA 1 10 LEU MD1 . . 4.180 3.334 3.238 3.445 . 0 0 "[ . 1 . 2]" 1
14 1 10 LEU HA 1 10 LEU QD . . 3.470 3.175 3.006 3.277 . 0 0 "[ . 1 . 2]" 1
15 1 10 LEU HA 1 10 LEU MD2 . . 4.180 4.045 3.344 4.137 . 0 0 "[ . 1 . 2]" 1
16 1 10 LEU HA 1 10 LEU HG . . 4.200 3.786 3.657 4.271 0.071 20 0 "[ . 1 . 2]" 1
17 1 10 LEU HA 1 11 PRO HD2 . . 3.080 2.381 2.279 2.421 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU HA 1 11 PRO HD3 . . 2.960 2.293 2.264 2.308 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU HA 1 90 VAL MG1 . . 3.620 2.651 1.973 3.472 . 0 0 "[ . 1 . 2]" 1
20 1 10 LEU HA 1 90 VAL MG2 . . 3.950 2.077 1.921 2.668 . 0 0 "[ . 1 . 2]" 1
21 1 10 LEU HB2 1 10 LEU MD1 . . 3.410 2.250 2.050 3.190 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU HB2 1 10 LEU QD . . 2.940 2.048 1.972 2.131 . 0 0 "[ . 1 . 2]" 1
23 1 10 LEU HB2 1 10 LEU MD2 . . 3.410 2.518 2.154 2.725 . 0 0 "[ . 1 . 2]" 1
24 1 10 LEU HB2 1 11 PRO HD2 . . 3.430 2.020 1.993 2.234 . 0 0 "[ . 1 . 2]" 1
25 1 10 LEU HB2 1 11 PRO HD3 . . 3.920 3.407 3.351 3.604 . 0 0 "[ . 1 . 2]" 1
26 1 10 LEU HB3 1 11 PRO HD2 . . 4.060 3.587 3.533 3.743 . 0 0 "[ . 1 . 2]" 1
27 1 10 LEU HB3 1 11 PRO HD3 . . 4.660 4.531 4.481 4.650 . 0 0 "[ . 1 . 2]" 1
28 1 10 LEU QD 1 11 PRO HA . . 4.110 3.489 3.345 3.650 . 0 0 "[ . 1 . 2]" 1
29 1 10 LEU QD 1 11 PRO QB . . 4.230 3.654 3.537 3.732 . 0 0 "[ . 1 . 2]" 1
30 1 10 LEU QD 1 11 PRO HD2 . . 3.310 2.385 2.023 2.561 . 0 0 "[ . 1 . 2]" 1
31 1 10 LEU QD 1 11 PRO HD3 . . 3.660 3.578 3.404 3.662 0.002 20 0 "[ . 1 . 2]" 1
32 1 10 LEU QD 1 11 PRO QG . . 3.530 2.898 2.601 3.055 . 0 0 "[ . 1 . 2]" 1
33 1 10 LEU QD 1 16 TYR QD . . 4.410 4.245 3.841 4.416 0.006 19 0 "[ . 1 . 2]" 1
34 1 10 LEU MD1 1 11 PRO HD2 . . 4.430 2.578 2.027 4.340 . 0 0 "[ . 1 . 2]" 1
35 1 10 LEU MD2 1 11 PRO HD2 . . 4.430 3.969 2.532 4.221 . 0 0 "[ . 1 . 2]" 1
36 1 10 LEU HG 1 11 PRO HD2 . . 4.590 4.338 3.994 4.535 . 0 0 "[ . 1 . 2]" 1
37 1 10 LEU HG 1 90 VAL MG2 . . 5.110 4.951 4.474 5.125 0.015 19 0 "[ . 1 . 2]" 1
38 1 11 PRO HA 1 12 LYS H . . 2.970 2.188 2.150 2.275 . 0 0 "[ . 1 . 2]" 1
39 1 11 PRO QB 1 12 LYS H . . 3.780 3.576 3.386 3.783 0.003 10 0 "[ . 1 . 2]" 1
40 1 11 PRO QB 1 13 SER H . . 3.650 3.360 2.640 3.658 0.008 17 0 "[ . 1 . 2]" 1
41 1 11 PRO QB 1 16 TYR QD . . 4.160 2.758 1.975 3.862 . 0 0 "[ . 1 . 2]" 1
42 1 11 PRO HB2 1 12 LYS H . . 4.470 3.857 3.624 4.109 . 0 0 "[ . 1 . 2]" 1
43 1 11 PRO HB3 1 12 LYS H . . 4.470 4.232 4.063 4.424 . 0 0 "[ . 1 . 2]" 1
44 1 11 PRO HD2 1 70 LEU QD . . 3.720 2.440 1.894 3.198 . 0 0 "[ . 1 . 2]" 1
45 1 11 PRO HD2 1 90 VAL MG1 . . 4.070 3.255 2.229 4.081 0.011 19 0 "[ . 1 . 2]" 1
46 1 11 PRO HD3 1 70 LEU QD . . 4.110 3.118 2.098 4.120 0.010 11 0 "[ . 1 . 2]" 1
47 1 11 PRO HD3 1 90 VAL HB . . 5.200 4.502 3.877 4.985 . 0 0 "[ . 1 . 2]" 1
48 1 11 PRO HD3 1 90 VAL MG1 . . 3.600 2.076 1.795 2.626 . 0 0 "[ . 1 . 2]" 1
49 1 11 PRO HD3 1 90 VAL MG2 . . 3.900 2.624 1.963 3.419 . 0 0 "[ . 1 . 2]" 1
50 1 11 PRO QG 1 16 TYR QD . . 3.590 2.319 1.933 3.177 . 0 0 "[ . 1 . 2]" 1
51 1 11 PRO QG 1 70 LEU QD . . 3.470 2.627 1.815 3.417 . 0 0 "[ . 1 . 2]" 1
52 1 11 PRO QG 1 90 VAL MG1 . . 3.990 3.218 2.094 3.773 . 0 0 "[ . 1 . 2]" 1
53 1 11 PRO QG 1 90 VAL MG2 . . 4.430 4.019 3.338 4.436 0.006 11 0 "[ . 1 . 2]" 1
54 1 11 PRO HG2 1 16 TYR QD . . 4.400 2.407 2.018 3.407 . 0 0 "[ . 1 . 2]" 1
55 1 11 PRO HG3 1 16 TYR QD . . 4.400 3.198 2.177 4.405 0.005 13 0 "[ . 1 . 2]" 1
56 1 12 LYS H 1 12 LYS QB . . 3.350 2.355 2.158 2.623 . 0 0 "[ . 1 . 2]" 1
57 1 12 LYS H 1 12 LYS HG2 . . 5.110 3.554 1.902 4.645 . 0 0 "[ . 1 . 2]" 1
58 1 12 LYS H 1 12 LYS QG . . 4.430 3.021 1.892 4.052 . 0 0 "[ . 1 . 2]" 1
59 1 12 LYS H 1 12 LYS HG3 . . 5.110 3.593 1.928 4.512 . 0 0 "[ . 1 . 2]" 1
60 1 12 LYS H 1 13 SER H . . 3.480 2.821 2.438 3.248 . 0 0 "[ . 1 . 2]" 1
61 1 12 LYS HA 1 12 LYS QD . . 4.340 3.477 2.116 4.312 . 0 0 "[ . 1 . 2]" 1
62 1 12 LYS QB 1 13 SER H . . 3.940 2.907 2.128 3.863 . 0 0 "[ . 1 . 2]" 1
63 1 12 LYS HB2 1 13 SER H . . 4.600 3.444 2.154 4.571 . 0 0 "[ . 1 . 2]" 1
64 1 12 LYS HB3 1 13 SER H . . 4.600 3.423 2.276 4.386 . 0 0 "[ . 1 . 2]" 1
65 1 13 SER H 1 13 SER QB . . 3.850 2.735 2.429 3.223 . 0 0 "[ . 1 . 2]" 1
66 1 13 SER HA 1 14 PRO HD2 . . 3.340 2.213 1.948 2.480 . 0 0 "[ . 1 . 2]" 1
67 1 13 SER HA 1 14 PRO HD3 . . 3.340 2.290 2.250 2.357 . 0 0 "[ . 1 . 2]" 1
68 1 13 SER HA 1 14 PRO HG2 . . 4.950 4.363 4.150 4.577 . 0 0 "[ . 1 . 2]" 1
69 1 13 SER HA 1 14 PRO QG . . 4.250 3.899 3.768 4.052 . 0 0 "[ . 1 . 2]" 1
70 1 13 SER HA 1 14 PRO HG3 . . 4.950 4.392 4.313 4.521 . 0 0 "[ . 1 . 2]" 1
71 1 14 PRO HA 1 16 TYR H . . 3.850 3.564 3.172 3.747 . 0 0 "[ . 1 . 2]" 1
72 1 14 PRO HA 1 16 TYR QD . . 4.260 2.764 1.984 3.515 . 0 0 "[ . 1 . 2]" 1
73 1 14 PRO HA 1 16 TYR QE . . 4.090 2.895 2.327 3.752 . 0 0 "[ . 1 . 2]" 1
74 1 14 PRO QB 1 15 PRO HA . . 3.340 1.935 1.918 1.940 . 0 0 "[ . 1 . 2]" 1
75 1 14 PRO QB 1 16 TYR H . . 4.460 3.666 3.257 3.847 . 0 0 "[ . 1 . 2]" 1
76 1 14 PRO QB 1 16 TYR QE . . 3.540 2.990 2.535 3.422 . 0 0 "[ . 1 . 2]" 1
77 1 14 PRO QD 1 16 TYR QE . . 3.890 2.855 2.371 3.388 . 0 0 "[ . 1 . 2]" 1
78 1 14 PRO HD2 1 16 TYR QE . . 4.760 4.151 3.685 4.718 . 0 0 "[ . 1 . 2]" 1
79 1 14 PRO HD3 1 16 TYR QE . . 4.760 2.912 2.399 3.479 . 0 0 "[ . 1 . 2]" 1
80 1 14 PRO QG 1 16 TYR QE . . 4.130 3.826 3.485 4.136 0.006 19 0 "[ . 1 . 2]" 1
81 1 15 PRO HA 1 16 TYR H . . 3.000 2.452 2.282 2.548 . 0 0 "[ . 1 . 2]" 1
82 1 15 PRO HA 1 16 TYR QD . . 4.480 4.139 3.202 4.456 . 0 0 "[ . 1 . 2]" 1
83 1 15 PRO QB 1 16 TYR H . . 3.520 2.432 2.227 2.823 . 0 0 "[ . 1 . 2]" 1
84 1 15 PRO HB2 1 16 TYR H . . 4.020 2.494 2.264 2.942 . 0 0 "[ . 1 . 2]" 1
85 1 15 PRO HB3 1 16 TYR H . . 4.020 3.397 3.289 3.632 . 0 0 "[ . 1 . 2]" 1
86 1 16 TYR H 1 16 TYR HB2 . . 3.340 2.680 2.367 2.850 . 0 0 "[ . 1 . 2]" 1
87 1 16 TYR H 1 16 TYR HB3 . . 4.010 3.757 3.587 3.808 . 0 0 "[ . 1 . 2]" 1
88 1 16 TYR H 1 16 TYR QD . . 3.690 3.400 2.942 3.667 . 0 0 "[ . 1 . 2]" 1
89 1 16 TYR HB2 1 17 THR H . . 4.780 4.277 3.940 4.570 . 0 0 "[ . 1 . 2]" 1
90 1 16 TYR HB2 1 64 PHE H . . 4.460 3.563 2.996 3.885 . 0 0 "[ . 1 . 2]" 1
91 1 16 TYR HB2 1 70 LEU QB . . 4.680 3.515 2.927 4.655 . 0 0 "[ . 1 . 2]" 1
92 1 16 TYR HB2 1 70 LEU QD . . 4.170 3.023 1.977 3.914 . 0 0 "[ . 1 . 2]" 1
93 1 16 TYR HB3 1 17 THR H . . 4.300 3.610 3.136 3.924 . 0 0 "[ . 1 . 2]" 1
94 1 16 TYR HB3 1 70 LEU QB . . 3.830 2.903 2.316 3.825 . 0 0 "[ . 1 . 2]" 1
95 1 16 TYR HB3 1 70 LEU MD1 . . 3.770 2.931 1.908 3.782 0.012 16 0 "[ . 1 . 2]" 1
96 1 16 TYR HB3 1 70 LEU QD . . 3.260 2.060 1.903 2.643 . 0 0 "[ . 1 . 2]" 1
97 1 16 TYR HB3 1 70 LEU MD2 . . 3.770 2.471 1.943 3.777 0.007 3 0 "[ . 1 . 2]" 1
98 1 16 TYR QD 1 17 THR H . . 4.450 4.154 3.806 4.423 . 0 0 "[ . 1 . 2]" 1
99 1 16 TYR QD 1 67 LEU H . . 4.730 4.452 4.067 4.734 0.004 9 0 "[ . 1 . 2]" 1
100 1 16 TYR QD 1 67 LEU QD . . 4.580 3.891 3.374 4.357 . 0 0 "[ . 1 . 2]" 1
101 1 16 TYR QD 1 70 LEU QD . . 3.630 3.284 2.424 3.614 . 0 0 "[ . 1 . 2]" 1
102 1 16 TYR QE 1 67 LEU H . . 4.090 3.308 2.593 4.096 0.006 19 0 "[ . 1 . 2]" 1
103 1 16 TYR QE 1 67 LEU HA . . 4.410 3.021 2.000 3.570 . 0 0 "[ . 1 . 2]" 1
104 1 16 TYR QE 1 67 LEU HB2 . . 4.670 4.421 3.733 4.675 0.005 11 0 "[ . 1 . 2]" 1
105 1 16 TYR QE 1 67 LEU QB . . 4.100 3.882 2.377 4.101 0.001 20 0 "[ . 1 . 2]" 1
106 1 16 TYR QE 1 67 LEU HB3 . . 4.670 4.354 2.405 4.648 . 0 0 "[ . 1 . 2]" 1
107 1 16 TYR QE 1 67 LEU MD1 . . 4.340 2.721 2.056 3.967 . 0 0 "[ . 1 . 2]" 1
108 1 16 TYR QE 1 67 LEU QD . . 3.380 2.432 2.035 2.851 . 0 0 "[ . 1 . 2]" 1
109 1 16 TYR QE 1 67 LEU MD2 . . 4.340 3.237 2.553 3.669 . 0 0 "[ . 1 . 2]" 1
110 1 16 TYR QE 1 70 LEU QD . . 4.880 4.556 3.458 4.890 0.010 6 0 "[ . 1 . 2]" 1
111 1 17 THR H 1 17 THR HB . . 3.260 2.660 2.535 2.806 . 0 0 "[ . 1 . 2]" 1
112 1 17 THR H 1 17 THR MG . . 4.130 3.854 3.808 3.909 . 0 0 "[ . 1 . 2]" 1
113 1 17 THR H 1 18 ALA H . . 4.660 4.428 4.343 4.511 . 0 0 "[ . 1 . 2]" 1
114 1 17 THR H 1 64 PHE H . . 5.500 5.276 4.896 5.503 0.003 16 0 "[ . 1 . 2]" 1
115 1 17 THR H 1 70 LEU MD1 . . 4.520 4.044 2.929 4.536 0.016 16 0 "[ . 1 . 2]" 1
116 1 17 THR H 1 70 LEU QD . . 3.930 3.334 2.681 3.913 . 0 0 "[ . 1 . 2]" 1
117 1 17 THR H 1 70 LEU MD2 . . 4.520 3.897 2.701 4.521 0.001 3 0 "[ . 1 . 2]" 1
118 1 17 THR H 1 91 ALA MB . . 4.540 4.298 3.818 4.539 . 0 0 "[ . 1 . 2]" 1
119 1 17 THR HA 1 17 THR MG . . 3.190 2.329 2.216 2.444 . 0 0 "[ . 1 . 2]" 1
120 1 17 THR HA 1 18 ALA H . . 3.030 2.159 2.146 2.163 . 0 0 "[ . 1 . 2]" 1
121 1 17 THR HA 1 18 ALA MB . . 4.300 3.949 3.881 3.986 . 0 0 "[ . 1 . 2]" 1
122 1 17 THR HA 1 64 PHE H . . 3.930 3.724 3.324 3.926 . 0 0 "[ . 1 . 2]" 1
123 1 17 THR HB 1 91 ALA MB . . 3.260 2.424 2.019 2.716 . 0 0 "[ . 1 . 2]" 1
124 1 17 THR MG 1 18 ALA H . . 3.350 2.537 2.284 2.685 . 0 0 "[ . 1 . 2]" 1
125 1 17 THR MG 1 61 TYR HA . . 4.170 3.950 3.663 4.171 0.001 12 0 "[ . 1 . 2]" 1
126 1 17 THR MG 1 61 TYR QB . . 3.110 2.624 2.211 3.015 . 0 0 "[ . 1 . 2]" 1
127 1 17 THR MG 1 61 TYR QD . . 3.200 2.980 2.551 3.177 . 0 0 "[ . 1 . 2]" 1
128 1 17 THR MG 1 61 TYR QE . . 4.750 4.575 4.089 4.753 0.003 3 0 "[ . 1 . 2]" 1
129 1 17 THR MG 1 62 ALA H . . 3.740 3.320 2.915 3.616 . 0 0 "[ . 1 . 2]" 1
130 1 17 THR MG 1 63 GLU QB . . 5.070 5.018 4.820 5.073 0.003 13 0 "[ . 1 . 2]" 1
131 1 17 THR MG 1 63 GLU QG . . 3.720 3.609 3.210 3.721 0.001 14 0 "[ . 1 . 2]" 1
132 1 17 THR MG 1 64 PHE H . . 5.330 5.145 4.851 5.328 . 0 0 "[ . 1 . 2]" 1
133 1 17 THR MG 1 91 ALA MB . . 2.980 2.178 1.872 2.565 . 0 0 "[ . 1 . 2]" 1
134 1 18 ALA H 1 18 ALA MB . . 3.240 2.343 2.195 2.402 . 0 0 "[ . 1 . 2]" 1
135 1 18 ALA H 1 62 ALA H . . 3.830 2.980 2.668 3.241 . 0 0 "[ . 1 . 2]" 1
136 1 18 ALA H 1 62 ALA MB . . 4.330 3.960 3.610 4.211 . 0 0 "[ . 1 . 2]" 1
137 1 18 ALA H 1 64 PHE H . . 5.110 4.776 4.209 5.023 . 0 0 "[ . 1 . 2]" 1
138 1 18 ALA H 1 64 PHE QE . . 4.800 4.232 3.684 4.577 . 0 0 "[ . 1 . 2]" 1
139 1 18 ALA H 1 70 LEU QD . . 4.220 3.543 3.243 4.159 . 0 0 "[ . 1 . 2]" 1
140 1 18 ALA HA 1 19 PHE H . . 3.040 2.210 2.206 2.213 . 0 0 "[ . 1 . 2]" 1
141 1 18 ALA HA 1 70 LEU MD1 . . 4.300 3.293 2.516 4.319 0.019 14 0 "[ . 1 . 2]" 1
142 1 18 ALA HA 1 70 LEU QD . . 3.450 2.719 2.499 2.940 . 0 0 "[ . 1 . 2]" 1
143 1 18 ALA HA 1 70 LEU MD2 . . 4.300 3.581 2.599 4.304 0.004 18 0 "[ . 1 . 2]" 1
144 1 18 ALA HA 1 74 LEU MD2 . . 5.400 4.989 4.620 5.384 . 0 0 "[ . 1 . 2]" 1
145 1 18 ALA HA 1 90 VAL HA . . 3.490 3.416 3.207 3.506 0.016 14 0 "[ . 1 . 2]" 1
146 1 18 ALA HA 1 90 VAL MG1 . . 4.900 4.746 4.566 4.903 0.003 13 0 "[ . 1 . 2]" 1
147 1 18 ALA HA 1 91 ALA H . . 3.470 3.049 2.648 3.257 . 0 0 "[ . 1 . 2]" 1
148 1 18 ALA HA 1 91 ALA MB . . 4.000 3.315 2.949 3.791 . 0 0 "[ . 1 . 2]" 1
149 1 18 ALA MB 1 19 PHE H . . 3.420 2.872 2.839 2.948 . 0 0 "[ . 1 . 2]" 1
150 1 18 ALA MB 1 20 LEU QD . . 3.790 3.373 3.074 3.591 . 0 0 "[ . 1 . 2]" 1
151 1 18 ALA MB 1 36 PHE HZ . . 4.440 3.553 2.953 4.175 . 0 0 "[ . 1 . 2]" 1
152 1 18 ALA MB 1 62 ALA H . . 3.890 3.260 2.976 3.492 . 0 0 "[ . 1 . 2]" 1
153 1 18 ALA MB 1 64 PHE QD . . 4.190 2.825 2.392 3.037 . 0 0 "[ . 1 . 2]" 1
154 1 18 ALA MB 1 64 PHE QE . . 3.080 2.088 1.811 2.311 . 0 0 "[ . 1 . 2]" 1
155 1 18 ALA MB 1 70 LEU HA . . 4.390 3.561 3.242 3.818 . 0 0 "[ . 1 . 2]" 1
156 1 18 ALA MB 1 70 LEU QD . . 2.850 2.051 1.802 2.402 . 0 0 "[ . 1 . 2]" 1
157 1 18 ALA MB 1 73 ALA MB . . 3.570 2.811 2.438 3.196 . 0 0 "[ . 1 . 2]" 1
158 1 18 ALA MB 1 74 LEU HG . . 5.130 5.035 4.731 5.135 0.005 17 0 "[ . 1 . 2]" 1
159 1 18 ALA MB 1 88 VAL HA . . 4.780 4.609 4.370 4.745 . 0 0 "[ . 1 . 2]" 1
160 1 18 ALA MB 1 88 VAL HB . . 5.500 5.282 5.011 5.423 . 0 0 "[ . 1 . 2]" 1
161 1 18 ALA MB 1 88 VAL MG1 . . 2.670 2.604 2.330 2.684 0.014 14 0 "[ . 1 . 2]" 1
162 1 18 ALA MB 1 88 VAL MG2 . . 4.190 4.075 3.914 4.187 . 0 0 "[ . 1 . 2]" 1
163 1 18 ALA MB 1 89 ASP H . . 4.320 4.250 4.062 4.327 0.007 9 0 "[ . 1 . 2]" 1
164 1 18 ALA MB 1 90 VAL HA . . 4.840 4.560 4.326 4.727 . 0 0 "[ . 1 . 2]" 1
165 1 19 PHE H 1 19 PHE HB2 . . 3.710 3.167 3.099 3.193 . 0 0 "[ . 1 . 2]" 1
166 1 19 PHE H 1 19 PHE QB . . 3.200 2.316 2.307 2.338 . 0 0 "[ . 1 . 2]" 1
167 1 19 PHE H 1 19 PHE HB3 . . 3.710 2.381 2.367 2.419 . 0 0 "[ . 1 . 2]" 1
168 1 19 PHE H 1 19 PHE QD . . 4.390 3.919 3.847 4.053 . 0 0 "[ . 1 . 2]" 1
169 1 19 PHE H 1 70 LEU QD . . 4.340 4.203 3.997 4.357 0.017 16 0 "[ . 1 . 2]" 1
170 1 19 PHE H 1 88 VAL MG1 . . 4.510 3.386 3.178 3.718 . 0 0 "[ . 1 . 2]" 1
171 1 19 PHE H 1 89 ASP H . . 4.460 2.918 2.683 3.100 . 0 0 "[ . 1 . 2]" 1
172 1 19 PHE H 1 90 VAL HA . . 4.410 3.705 3.433 3.913 . 0 0 "[ . 1 . 2]" 1
173 1 19 PHE H 1 91 ALA H . . 3.750 3.442 3.177 3.713 . 0 0 "[ . 1 . 2]" 1
174 1 19 PHE H 1 91 ALA MB . . 3.930 3.194 2.750 3.551 . 0 0 "[ . 1 . 2]" 1
175 1 19 PHE QB 1 61 TYR QE . . 3.870 3.185 2.410 3.662 . 0 0 "[ . 1 . 2]" 1
176 1 19 PHE QB 1 91 ALA HA . . 3.580 3.013 2.691 3.227 . 0 0 "[ . 1 . 2]" 1
177 1 19 PHE QB 1 91 ALA MB . . 3.220 2.095 1.899 2.459 . 0 0 "[ . 1 . 2]" 1
178 1 19 PHE HB2 1 91 ALA HA . . 4.430 3.204 2.819 3.476 . 0 0 "[ . 1 . 2]" 1
179 1 19 PHE HB2 1 91 ALA MB . . 3.720 2.134 1.922 2.541 . 0 0 "[ . 1 . 2]" 1
180 1 19 PHE HB3 1 91 ALA HA . . 4.430 3.680 3.405 3.975 . 0 0 "[ . 1 . 2]" 1
181 1 19 PHE HB3 1 91 ALA MB . . 3.720 3.092 2.764 3.491 . 0 0 "[ . 1 . 2]" 1
182 1 19 PHE QD 1 20 LEU H . . 4.110 3.459 3.092 3.641 . 0 0 "[ . 1 . 2]" 1
183 1 19 PHE QD 1 21 GLY HA3 . . 4.990 4.852 4.557 4.997 0.007 3 0 "[ . 1 . 2]" 1
184 1 19 PHE QD 1 87 ARG QB . . 5.330 4.949 4.468 5.258 . 0 0 "[ . 1 . 2]" 1
185 1 19 PHE QD 1 87 ARG QG . . 4.650 4.244 3.884 4.570 . 0 0 "[ . 1 . 2]" 1
186 1 19 PHE QD 1 88 VAL HA . . 5.150 3.748 3.433 4.359 . 0 0 "[ . 1 . 2]" 1
187 1 19 PHE QD 1 89 ASP H . . 4.520 2.714 2.332 3.128 . 0 0 "[ . 1 . 2]" 1
188 1 19 PHE QD 1 89 ASP HB2 . . 4.380 3.218 2.838 3.723 . 0 0 "[ . 1 . 2]" 1
189 1 19 PHE QD 1 89 ASP QB . . 3.830 2.271 1.987 2.662 . 0 0 "[ . 1 . 2]" 1
190 1 19 PHE QD 1 89 ASP HB3 . . 4.380 2.329 2.016 2.760 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU H 1 20 LEU HB2 . . 4.010 2.586 2.493 2.708 . 0 0 "[ . 1 . 2]" 1
192 1 20 LEU H 1 20 LEU QB . . 3.380 2.541 2.456 2.652 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU H 1 20 LEU HB3 . . 4.010 3.737 3.691 3.796 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU H 1 20 LEU MD1 . . 4.400 3.794 3.609 3.966 . 0 0 "[ . 1 . 2]" 1
195 1 20 LEU H 1 20 LEU QD . . 3.790 3.450 3.357 3.562 . 0 0 "[ . 1 . 2]" 1
196 1 20 LEU H 1 20 LEU MD2 . . 4.400 3.983 3.688 4.174 . 0 0 "[ . 1 . 2]" 1
197 1 20 LEU H 1 20 LEU HG . . 3.930 2.909 2.723 3.087 . 0 0 "[ . 1 . 2]" 1
198 1 20 LEU H 1 21 GLY H . . 4.630 4.486 4.410 4.523 . 0 0 "[ . 1 . 2]" 1
199 1 20 LEU H 1 23 LEU MD1 . . 4.700 4.242 4.086 4.509 . 0 0 "[ . 1 . 2]" 1
200 1 20 LEU H 1 60 GLY H . . 3.810 3.090 2.691 3.771 . 0 0 "[ . 1 . 2]" 1
201 1 20 LEU H 1 61 TYR HA . . 4.130 3.667 3.277 3.934 . 0 0 "[ . 1 . 2]" 1
202 1 20 LEU HA 1 20 LEU MD1 . . 4.370 3.920 3.886 3.961 . 0 0 "[ . 1 . 2]" 1
203 1 20 LEU HA 1 20 LEU QD . . 3.020 2.217 1.992 2.553 . 0 0 "[ . 1 . 2]" 1
204 1 20 LEU HA 1 20 LEU MD2 . . 4.370 2.231 1.998 2.584 . 0 0 "[ . 1 . 2]" 1
205 1 20 LEU HA 1 21 GLY H . . 3.150 2.274 2.173 2.313 . 0 0 "[ . 1 . 2]" 1
206 1 20 LEU HA 1 88 VAL HA . . 3.830 2.796 2.646 3.059 . 0 0 "[ . 1 . 2]" 1
207 1 20 LEU HA 1 88 VAL MG2 . . 4.280 3.448 3.326 3.594 . 0 0 "[ . 1 . 2]" 1
208 1 20 LEU QB 1 20 LEU QD . . 2.810 1.861 1.759 1.947 . 0 0 "[ . 1 . 2]" 1
209 1 20 LEU QB 1 21 GLY H . . 4.170 2.718 2.599 3.063 . 0 0 "[ . 1 . 2]" 1
210 1 20 LEU QB 1 23 LEU MD1 . . 3.220 2.267 1.827 2.615 . 0 0 "[ . 1 . 2]" 1
211 1 20 LEU QB 1 23 LEU MD2 . . 3.470 2.708 2.332 3.065 . 0 0 "[ . 1 . 2]" 1
212 1 20 LEU QB 1 60 GLY H . . 3.570 2.430 2.174 3.062 . 0 0 "[ . 1 . 2]" 1
213 1 20 LEU HB2 1 23 LEU MD1 . . 3.980 2.373 1.974 2.704 . 0 0 "[ . 1 . 2]" 1
214 1 20 LEU HB2 1 23 LEU MD2 . . 4.060 3.465 2.927 3.981 . 0 0 "[ . 1 . 2]" 1
215 1 20 LEU HB2 1 60 GLY H . . 4.400 2.459 2.193 3.125 . 0 0 "[ . 1 . 2]" 1
216 1 20 LEU HB3 1 23 LEU MD1 . . 3.980 2.901 2.154 3.471 . 0 0 "[ . 1 . 2]" 1
217 1 20 LEU HB3 1 23 LEU MD2 . . 4.060 2.835 2.379 3.281 . 0 0 "[ . 1 . 2]" 1
218 1 20 LEU HB3 1 60 GLY H . . 4.400 3.831 3.559 4.387 . 0 0 "[ . 1 . 2]" 1
219 1 20 LEU QD 1 21 GLY H . . 3.810 3.356 3.056 3.574 . 0 0 "[ . 1 . 2]" 1
220 1 20 LEU QD 1 23 LEU MD1 . . 4.050 2.575 2.072 2.952 . 0 0 "[ . 1 . 2]" 1
221 1 20 LEU QD 1 36 PHE QE . . 3.030 2.504 2.183 2.981 . 0 0 "[ . 1 . 2]" 1
222 1 20 LEU QD 1 36 PHE HZ . . 2.930 2.084 1.797 2.395 . 0 0 "[ . 1 . 2]" 1
223 1 20 LEU QD 1 61 TYR HA . . 4.490 3.541 3.170 3.883 . 0 0 "[ . 1 . 2]" 1
224 1 20 LEU QD 1 62 ALA H . . 4.370 4.068 3.825 4.306 . 0 0 "[ . 1 . 2]" 1
225 1 20 LEU QD 1 88 VAL H . . 4.580 4.430 4.236 4.581 0.001 12 0 "[ . 1 . 2]" 1
226 1 20 LEU QD 1 88 VAL HA . . 3.640 2.799 2.483 3.121 . 0 0 "[ . 1 . 2]" 1
227 1 20 LEU QD 1 88 VAL HB . . 4.500 4.227 3.981 4.502 0.002 16 0 "[ . 1 . 2]" 1
228 1 20 LEU MD1 1 36 PHE QE . . 3.550 2.623 2.230 3.220 . 0 0 "[ . 1 . 2]" 1
229 1 20 LEU MD1 1 36 PHE HZ . . 3.950 2.711 2.022 3.365 . 0 0 "[ . 1 . 2]" 1
230 1 20 LEU MD2 1 36 PHE QE . . 3.550 3.213 3.077 3.517 . 0 0 "[ . 1 . 2]" 1
231 1 20 LEU MD2 1 36 PHE HZ . . 3.950 2.207 1.963 2.937 . 0 0 "[ . 1 . 2]" 1
232 1 20 LEU HG 1 23 LEU MD2 . . 5.080 4.829 4.481 5.082 0.002 8 0 "[ . 1 . 2]" 1
233 1 20 LEU HG 1 61 TYR HA . . 4.250 3.823 3.443 4.143 . 0 0 "[ . 1 . 2]" 1
234 1 20 LEU HG 1 62 ALA H . . 4.940 4.694 4.084 4.933 . 0 0 "[ . 1 . 2]" 1
235 1 20 LEU HG 1 62 ALA MB . . 4.780 4.389 3.705 4.701 . 0 0 "[ . 1 . 2]" 1
236 1 20 LEU HG 1 88 VAL MG2 . . 4.610 4.031 3.700 4.345 . 0 0 "[ . 1 . 2]" 1
237 1 21 GLY H 1 86 ILE MG . . 4.420 3.910 3.664 4.163 . 0 0 "[ . 1 . 2]" 1
238 1 21 GLY H 1 87 ARG H . . 3.920 2.422 2.179 2.608 . 0 0 "[ . 1 . 2]" 1
239 1 21 GLY H 1 87 ARG QB . . 3.700 3.446 3.175 3.678 . 0 0 "[ . 1 . 2]" 1
240 1 21 GLY H 1 87 ARG QG . . 4.660 4.590 4.130 4.666 0.006 17 0 "[ . 1 . 2]" 1
241 1 21 GLY H 1 88 VAL MG2 . . 4.520 4.364 4.238 4.500 . 0 0 "[ . 1 . 2]" 1
242 1 21 GLY HA2 1 22 ASN H . . 3.380 2.426 2.219 2.517 . 0 0 "[ . 1 . 2]" 1
243 1 21 GLY HA3 1 22 ASN H . . 3.420 2.716 2.609 2.997 . 0 0 "[ . 1 . 2]" 1
244 1 21 GLY HA3 1 87 ARG H . . 4.250 3.400 3.045 3.753 . 0 0 "[ . 1 . 2]" 1
245 1 21 GLY HA3 1 87 ARG QB . . 3.770 3.219 2.839 3.637 . 0 0 "[ . 1 . 2]" 1
246 1 22 ASN H 1 22 ASN HB2 . . 4.040 2.939 2.823 3.148 . 0 0 "[ . 1 . 2]" 1
247 1 22 ASN H 1 23 LEU H . . 3.700 2.962 2.677 3.100 . 0 0 "[ . 1 . 2]" 1
248 1 22 ASN HB2 1 86 ILE HA . . 4.160 3.766 3.554 4.032 . 0 0 "[ . 1 . 2]" 1
249 1 22 ASN HB2 1 87 ARG H . . 4.640 4.158 3.929 4.351 . 0 0 "[ . 1 . 2]" 1
250 1 22 ASN HB2 1 87 ARG QB . . 4.660 4.287 3.935 4.617 . 0 0 "[ . 1 . 2]" 1
251 1 22 ASN HB3 1 22 ASN HD21 . . 3.450 2.248 2.118 2.425 . 0 0 "[ . 1 . 2]" 1
252 1 22 ASN HB3 1 22 ASN HD22 . . 3.950 3.486 3.436 3.558 . 0 0 "[ . 1 . 2]" 1
253 1 22 ASN HB3 1 23 LEU H . . 4.530 4.316 4.302 4.333 . 0 0 "[ . 1 . 2]" 1
254 1 22 ASN HB3 1 85 ARG H . . 5.090 5.018 4.785 5.096 0.006 14 0 "[ . 1 . 2]" 1
255 1 22 ASN HB3 1 86 ILE HA . . 3.590 2.304 2.089 2.511 . 0 0 "[ . 1 . 2]" 1
256 1 22 ASN HB3 1 86 ILE HB . . 4.620 4.366 4.159 4.621 0.001 12 0 "[ . 1 . 2]" 1
257 1 22 ASN HB3 1 86 ILE MG . . 4.210 3.292 3.052 3.665 . 0 0 "[ . 1 . 2]" 1
258 1 22 ASN HB3 1 87 ARG H . . 4.540 3.573 3.332 3.770 . 0 0 "[ . 1 . 2]" 1
259 1 22 ASN HB3 1 87 ARG QB . . 4.830 4.460 4.177 4.802 . 0 0 "[ . 1 . 2]" 1
260 1 22 ASN HD21 1 84 LYS QB . . 4.370 2.846 2.483 3.608 . 0 0 "[ . 1 . 2]" 1
261 1 22 ASN HD21 1 84 LYS QD . . 4.370 3.556 3.101 4.267 . 0 0 "[ . 1 . 2]" 1
262 1 22 ASN HD21 1 85 ARG H . . 4.050 3.438 2.954 3.905 . 0 0 "[ . 1 . 2]" 1
263 1 22 ASN HD21 1 85 ARG QB . . 5.080 4.468 3.823 4.967 . 0 0 "[ . 1 . 2]" 1
264 1 22 ASN HD21 1 86 ILE HA . . 4.400 3.602 3.184 4.013 . 0 0 "[ . 1 . 2]" 1
265 1 22 ASN HD22 1 84 LYS QB . . 4.160 2.949 2.227 4.162 0.002 13 0 "[ . 1 . 2]" 1
266 1 22 ASN HD22 1 84 LYS QD . . 4.170 2.660 2.268 3.301 . 0 0 "[ . 1 . 2]" 1
267 1 22 ASN HD22 1 84 LYS QE . . 4.400 3.636 2.490 4.394 . 0 0 "[ . 1 . 2]" 1
268 1 22 ASN HD22 1 85 ARG H . . 4.120 3.756 3.210 4.121 0.001 20 0 "[ . 1 . 2]" 1
269 1 22 ASN HD22 1 85 ARG QB . . 5.340 5.047 4.420 5.349 0.009 16 0 "[ . 1 . 2]" 1
270 1 22 ASN HD22 1 86 ILE HA . . 5.490 5.194 4.772 5.459 . 0 0 "[ . 1 . 2]" 1
271 1 23 LEU H 1 23 LEU HB2 . . 3.310 2.295 2.219 2.384 . 0 0 "[ . 1 . 2]" 1
272 1 23 LEU H 1 23 LEU HB3 . . 4.060 3.561 3.510 3.613 . 0 0 "[ . 1 . 2]" 1
273 1 23 LEU H 1 23 LEU MD1 . . 4.230 3.599 3.515 3.698 . 0 0 "[ . 1 . 2]" 1
274 1 23 LEU H 1 23 LEU MD2 . . 4.210 4.036 3.877 4.177 . 0 0 "[ . 1 . 2]" 1
275 1 23 LEU H 1 23 LEU HG . . 3.790 2.935 2.637 3.169 . 0 0 "[ . 1 . 2]" 1
276 1 23 LEU H 1 59 PHE HA . . 4.660 4.406 3.986 4.665 0.005 13 0 "[ . 1 . 2]" 1
277 1 23 LEU HA 1 23 LEU MD2 . . 3.010 2.279 2.101 2.418 . 0 0 "[ . 1 . 2]" 1
278 1 23 LEU HA 1 24 PRO HD2 . . 3.260 2.213 2.125 2.303 . 0 0 "[ . 1 . 2]" 1
279 1 23 LEU HA 1 24 PRO HD3 . . 3.210 2.257 2.252 2.269 . 0 0 "[ . 1 . 2]" 1
280 1 23 LEU HA 1 24 PRO HG2 . . 4.680 4.362 4.293 4.434 . 0 0 "[ . 1 . 2]" 1
281 1 23 LEU HA 1 24 PRO HG3 . . 4.810 4.375 4.340 4.418 . 0 0 "[ . 1 . 2]" 1
282 1 23 LEU HA 1 27 VAL HB . . 5.290 4.459 4.293 4.699 . 0 0 "[ . 1 . 2]" 1
283 1 23 LEU HA 1 86 ILE HB . . 4.990 4.257 4.149 4.474 . 0 0 "[ . 1 . 2]" 1
284 1 23 LEU HA 1 86 ILE MD . . 4.490 4.292 3.948 4.473 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 86 ILE MG . . 3.640 1.953 1.883 2.064 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU HB2 1 23 LEU MD1 . . 3.630 2.174 2.059 2.274 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU HB2 1 24 PRO HD2 . . 4.350 3.999 3.837 4.175 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU HB2 1 27 VAL MG1 . . 3.740 3.431 3.150 3.739 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU HB3 1 23 LEU MD1 . . 3.540 2.518 2.436 2.594 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU HB3 1 23 LEU MD2 . . 3.000 2.192 2.098 2.310 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU HB3 1 24 PRO HD2 . . 3.520 2.549 2.298 2.824 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU HB3 1 24 PRO HD3 . . 4.170 3.897 3.698 4.108 . 0 0 "[ . 1 . 2]" 1
293 1 23 LEU HB3 1 27 VAL MG1 . . 4.110 2.301 2.012 2.797 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU MD1 1 27 VAL MG1 . . 3.310 3.113 2.906 3.265 . 0 0 "[ . 1 . 2]" 1
295 1 23 LEU MD1 1 27 VAL MG2 . . 3.680 3.147 2.860 3.539 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU MD1 1 46 LEU QD . . 3.640 3.282 2.842 3.647 0.007 14 0 "[ . 1 . 2]" 1
297 1 23 LEU MD1 1 59 PHE H . . 4.730 4.096 3.291 4.534 . 0 0 "[ . 1 . 2]" 1
298 1 23 LEU MD1 1 59 PHE HA . . 3.780 2.557 1.980 2.899 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU MD1 1 60 GLY H . . 4.100 2.139 1.914 2.548 . 0 0 "[ . 1 . 2]" 1
300 1 23 LEU MD1 1 60 GLY HA2 . . 4.280 3.160 2.930 3.405 . 0 0 "[ . 1 . 2]" 1
301 1 23 LEU MD1 1 60 GLY HA3 . . 4.280 2.078 1.890 2.490 . 0 0 "[ . 1 . 2]" 1
302 1 23 LEU MD2 1 24 PRO HD2 . . 3.570 2.087 1.942 2.398 . 0 0 "[ . 1 . 2]" 1
303 1 23 LEU MD2 1 24 PRO HD3 . . 3.600 3.161 2.886 3.464 . 0 0 "[ . 1 . 2]" 1
304 1 23 LEU MD2 1 24 PRO HG2 . . 4.330 3.885 3.566 4.221 . 0 0 "[ . 1 . 2]" 1
305 1 23 LEU MD2 1 27 VAL HB . . 4.190 3.185 2.784 3.523 . 0 0 "[ . 1 . 2]" 1
306 1 23 LEU MD2 1 27 VAL MG2 . . 3.020 2.203 1.909 2.574 . 0 0 "[ . 1 . 2]" 1
307 1 23 LEU MD2 1 86 ILE HA . . 5.070 4.579 4.294 4.886 . 0 0 "[ . 1 . 2]" 1
308 1 23 LEU MD2 1 86 ILE HB . . 4.120 3.093 2.697 3.468 . 0 0 "[ . 1 . 2]" 1
309 1 23 LEU MD2 1 86 ILE MD . . 3.620 3.353 2.964 3.605 . 0 0 "[ . 1 . 2]" 1
310 1 23 LEU MD2 1 86 ILE MG . . 3.060 1.850 1.773 1.972 . 0 0 "[ . 1 . 2]" 1
311 1 23 LEU HG 1 24 PRO HD3 . . 5.050 4.847 4.664 5.050 0.000 18 0 "[ . 1 . 2]" 1
312 1 23 LEU HG 1 59 PHE HA . . 4.350 4.137 3.652 4.353 0.003 14 0 "[ . 1 . 2]" 1
313 1 24 PRO HA 1 25 TYR H . . 3.380 2.243 2.150 2.710 . 0 0 "[ . 1 . 2]" 1
314 1 24 PRO HA 1 84 LYS HD2 . . 4.750 4.573 4.355 4.754 0.004 13 0 "[ . 1 . 2]" 1
315 1 24 PRO HA 1 84 LYS QD . . 4.180 4.073 3.969 4.149 . 0 0 "[ . 1 . 2]" 1
316 1 24 PRO HA 1 84 LYS HD3 . . 4.750 4.575 4.424 4.687 . 0 0 "[ . 1 . 2]" 1
317 1 24 PRO HA 1 84 LYS QE . . 3.630 2.016 1.888 2.450 . 0 0 "[ . 1 . 2]" 1
318 1 24 PRO HA 1 84 LYS QG . . 3.910 3.731 2.661 3.913 0.003 14 0 "[ . 1 . 2]" 1
319 1 24 PRO HB2 1 25 TYR H . . 4.340 3.241 1.927 3.647 . 0 0 "[ . 1 . 2]" 1
320 1 24 PRO HB2 1 26 ASP H . . 3.910 2.431 2.091 2.672 . 0 0 "[ . 1 . 2]" 1
321 1 24 PRO HB3 1 25 TYR H . . 4.480 3.835 3.156 4.079 . 0 0 "[ . 1 . 2]" 1
322 1 24 PRO HB3 1 26 ASP H . . 4.240 4.020 3.845 4.219 . 0 0 "[ . 1 . 2]" 1
323 1 24 PRO HB3 1 27 VAL H . . 5.500 5.189 4.328 5.501 0.001 17 0 "[ . 1 . 2]" 1
324 1 24 PRO HB3 1 84 LYS HG2 . . 4.610 4.475 3.389 4.612 0.002 14 0 "[ . 1 . 2]" 1
325 1 24 PRO HB3 1 84 LYS QG . . 3.970 2.835 2.015 3.051 . 0 0 "[ . 1 . 2]" 1
326 1 24 PRO HB3 1 84 LYS HG3 . . 4.610 2.868 2.030 3.096 . 0 0 "[ . 1 . 2]" 1
327 1 24 PRO HB3 1 86 ILE MG . . 5.220 4.980 4.807 5.228 0.008 10 0 "[ . 1 . 2]" 1
328 1 24 PRO HD2 1 27 VAL H . . 4.970 4.739 4.183 4.983 0.013 9 0 "[ . 1 . 2]" 1
329 1 24 PRO HD2 1 27 VAL HB . . 3.910 2.530 2.367 2.730 . 0 0 "[ . 1 . 2]" 1
330 1 24 PRO HD2 1 27 VAL MG1 . . 3.730 3.426 2.794 3.641 . 0 0 "[ . 1 . 2]" 1
331 1 24 PRO HD2 1 27 VAL MG2 . . 3.720 3.106 2.757 3.509 . 0 0 "[ . 1 . 2]" 1
332 1 24 PRO HD2 1 81 LEU MD2 . . 3.760 2.592 2.303 2.867 . 0 0 "[ . 1 . 2]" 1
333 1 24 PRO HD2 1 86 ILE MD . . 4.500 4.401 4.108 4.508 0.008 17 0 "[ . 1 . 2]" 1
334 1 24 PRO HD2 1 86 ILE MG . . 4.380 2.951 2.771 3.118 . 0 0 "[ . 1 . 2]" 1
335 1 24 PRO HD3 1 27 VAL MG1 . . 5.010 4.793 4.241 5.011 0.001 16 0 "[ . 1 . 2]" 1
336 1 24 PRO HD3 1 27 VAL MG2 . . 5.100 4.555 4.245 4.918 . 0 0 "[ . 1 . 2]" 1
337 1 24 PRO HD3 1 81 LEU MD2 . . 3.690 2.901 2.587 3.152 . 0 0 "[ . 1 . 2]" 1
338 1 24 PRO HD3 1 84 LYS HB2 . . 4.380 3.025 2.645 3.245 . 0 0 "[ . 1 . 2]" 1
339 1 24 PRO HD3 1 84 LYS HB3 . . 4.380 4.105 3.057 4.340 . 0 0 "[ . 1 . 2]" 1
340 1 24 PRO HD3 1 84 LYS QE . . 4.330 3.613 3.261 4.040 . 0 0 "[ . 1 . 2]" 1
341 1 24 PRO HD3 1 86 ILE MD . . 4.020 3.875 3.589 4.024 0.004 19 0 "[ . 1 . 2]" 1
342 1 24 PRO HD3 1 86 ILE MG . . 3.980 2.615 2.456 2.834 . 0 0 "[ . 1 . 2]" 1
343 1 24 PRO HG2 1 27 VAL HA . . 4.350 3.122 2.796 3.553 . 0 0 "[ . 1 . 2]" 1
344 1 24 PRO HG2 1 27 VAL MG1 . . 3.830 3.498 2.761 3.686 . 0 0 "[ . 1 . 2]" 1
345 1 24 PRO HG2 1 27 VAL MG2 . . 3.880 3.335 3.053 3.776 . 0 0 "[ . 1 . 2]" 1
346 1 24 PRO HG2 1 81 LEU HB3 . . 5.500 5.254 4.922 5.508 0.008 16 0 "[ . 1 . 2]" 1
347 1 24 PRO HG2 1 81 LEU MD1 . . 5.200 4.987 4.483 5.200 . 0 0 "[ . 1 . 2]" 1
348 1 24 PRO HG2 1 81 LEU MD2 . . 3.690 3.191 2.863 3.516 . 0 0 "[ . 1 . 2]" 1
349 1 24 PRO HG2 1 81 LEU HG . . 4.230 4.062 3.537 4.219 . 0 0 "[ . 1 . 2]" 1
350 1 24 PRO HG3 1 27 VAL MG2 . . 4.790 4.330 4.050 4.742 . 0 0 "[ . 1 . 2]" 1
351 1 24 PRO HG3 1 81 LEU MD2 . . 3.970 2.855 2.389 3.209 . 0 0 "[ . 1 . 2]" 1
352 1 24 PRO HG3 1 81 LEU HG . . 4.160 3.059 2.520 3.321 . 0 0 "[ . 1 . 2]" 1
353 1 24 PRO HG3 1 86 ILE MD . . 4.930 4.696 4.372 4.884 . 0 0 "[ . 1 . 2]" 1
354 1 25 TYR H 1 25 TYR HB2 . . 4.070 3.204 2.763 3.719 . 0 0 "[ . 1 . 2]" 1
355 1 25 TYR H 1 25 TYR HB3 . . 4.070 2.320 2.168 2.909 . 0 0 "[ . 1 . 2]" 1
356 1 25 TYR H 1 25 TYR QD . . 4.130 3.385 2.085 4.136 0.006 12 0 "[ . 1 . 2]" 1
357 1 25 TYR H 1 26 ASP H . . 4.210 2.698 2.060 2.903 . 0 0 "[ . 1 . 2]" 1
358 1 25 TYR HA 1 25 TYR QD . . 3.700 3.390 3.012 3.687 . 0 0 "[ . 1 . 2]" 1
359 1 25 TYR HA 1 25 TYR QE . . 5.500 5.271 4.910 5.592 0.092 10 0 "[ . 1 . 2]" 1
360 1 25 TYR HA 1 27 VAL H . . 4.360 3.666 3.448 4.306 . 0 0 "[ . 1 . 2]" 1
361 1 25 TYR HA 1 56 LEU H . . 4.900 4.077 2.562 4.877 . 0 0 "[ . 1 . 2]" 1
362 1 25 TYR HA 1 56 LEU HB2 . . 3.790 3.395 2.000 3.793 0.003 14 0 "[ . 1 . 2]" 1
363 1 25 TYR HA 1 56 LEU HB3 . . 5.490 4.883 3.587 5.423 . 0 0 "[ . 1 . 2]" 1
364 1 25 TYR HA 1 56 LEU QD . . 4.010 3.132 2.158 3.981 . 0 0 "[ . 1 . 2]" 1
365 1 25 TYR QD 1 26 ASP H . . 4.570 3.189 2.087 3.781 . 0 0 "[ . 1 . 2]" 1
366 1 25 TYR QD 1 26 ASP HA . . 5.040 3.402 2.789 4.036 . 0 0 "[ . 1 . 2]" 1
367 1 25 TYR QD 1 26 ASP HB2 . . 4.870 3.989 2.398 4.875 0.005 7 0 "[ . 1 . 2]" 1
368 1 25 TYR QD 1 26 ASP QB . . 4.270 3.329 2.375 3.997 . 0 0 "[ . 1 . 2]" 1
369 1 25 TYR QD 1 26 ASP HB3 . . 4.870 4.019 2.730 4.825 . 0 0 "[ . 1 . 2]" 1
370 1 25 TYR QD 1 55 ARG HA . . 5.480 4.074 3.083 5.143 . 0 0 "[ . 1 . 2]" 1
371 1 25 TYR QD 1 55 ARG QG . . 4.200 3.663 2.699 4.205 0.005 10 0 "[ . 1 . 2]" 1
372 1 25 TYR QE 1 26 ASP QB . . 4.390 3.774 2.961 4.390 0.000 17 0 "[ . 1 . 2]" 1
373 1 25 TYR QE 1 55 ARG QG . . 5.500 3.945 2.032 5.492 . 0 0 "[ . 1 . 2]" 1
374 1 26 ASP H 1 26 ASP QB . . 3.690 2.477 2.142 2.924 . 0 0 "[ . 1 . 2]" 1
375 1 26 ASP H 1 27 VAL H . . 3.250 2.739 2.140 2.987 . 0 0 "[ . 1 . 2]" 1
376 1 26 ASP H 1 27 VAL MG1 . . 4.540 4.098 3.471 4.337 . 0 0 "[ . 1 . 2]" 1
377 1 26 ASP QB 1 27 VAL H . . 4.480 3.672 2.731 4.044 . 0 0 "[ . 1 . 2]" 1
378 1 27 VAL H 1 27 VAL HB . . 2.980 2.668 2.355 2.856 . 0 0 "[ . 1 . 2]" 1
379 1 27 VAL H 1 27 VAL MG1 . . 3.120 2.036 1.852 2.593 . 0 0 "[ . 1 . 2]" 1
380 1 27 VAL H 1 27 VAL MG2 . . 3.840 3.776 3.713 3.803 . 0 0 "[ . 1 . 2]" 1
381 1 27 VAL H 1 28 THR H . . 4.600 4.400 4.216 4.566 . 0 0 "[ . 1 . 2]" 1
382 1 27 VAL H 1 56 LEU QD . . 4.230 3.358 2.541 4.111 . 0 0 "[ . 1 . 2]" 1
383 1 27 VAL HA 1 27 VAL MG1 . . 3.330 3.194 3.182 3.202 . 0 0 "[ . 1 . 2]" 1
384 1 27 VAL HA 1 27 VAL MG2 . . 3.000 2.334 2.204 2.455 . 0 0 "[ . 1 . 2]" 1
385 1 27 VAL HA 1 28 THR H . . 2.900 2.150 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
386 1 27 VAL HA 1 28 THR HA . . 4.490 4.400 4.393 4.431 . 0 0 "[ . 1 . 2]" 1
387 1 27 VAL HA 1 28 THR MG . . 3.970 3.587 3.346 3.834 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL HA 1 81 LEU MD2 . . 4.560 3.916 3.578 4.204 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HB 1 28 THR H . . 4.410 4.347 4.204 4.424 0.014 2 0 "[ . 1 . 2]" 1
390 1 27 VAL HB 1 31 SER QB . . 4.970 4.700 4.344 4.959 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL HB 1 32 ILE MD . . 4.830 4.386 4.023 4.780 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL HB 1 81 LEU MD2 . . 4.360 3.450 2.883 3.794 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL MG1 1 28 THR H . . 4.160 4.069 3.793 4.218 0.058 2 0 "[ . 1 . 2]" 1
394 1 27 VAL MG1 1 28 THR HA . . 4.500 4.031 3.795 4.249 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL MG1 1 56 LEU HG . . 4.220 2.996 1.858 4.141 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL MG2 1 28 THR H . . 3.220 2.810 2.316 3.214 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL MG2 1 31 SER HB2 . . 4.100 3.343 2.345 4.048 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL MG2 1 31 SER QB . . 3.590 2.749 2.181 3.276 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL MG2 1 31 SER HB3 . . 4.100 3.164 2.306 3.823 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL MG2 1 32 ILE H . . 4.110 3.928 3.593 4.112 0.002 4 0 "[ . 1 . 2]" 1
401 1 27 VAL MG2 1 32 ILE MD . . 2.960 2.077 1.889 2.478 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL MG2 1 32 ILE QG . . 3.420 2.770 2.503 3.223 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL MG2 1 81 LEU MD2 . . 3.110 2.519 2.247 2.947 . 0 0 "[ . 1 . 2]" 1
404 1 28 THR H 1 28 THR MG . . 3.430 2.490 2.404 2.509 . 0 0 "[ . 1 . 2]" 1
405 1 28 THR H 1 31 SER H . . 4.110 3.450 3.236 3.611 . 0 0 "[ . 1 . 2]" 1
406 1 28 THR H 1 31 SER QB . . 3.200 2.214 1.882 2.467 . 0 0 "[ . 1 . 2]" 1
407 1 28 THR H 1 32 ILE H . . 4.620 4.465 4.243 4.623 0.003 4 0 "[ . 1 . 2]" 1
408 1 28 THR HA 1 29 GLU H . . 3.340 2.452 2.370 2.507 . 0 0 "[ . 1 . 2]" 1
409 1 28 THR HA 1 31 SER H . . 4.970 4.587 4.458 4.694 . 0 0 "[ . 1 . 2]" 1
410 1 28 THR HA 1 46 LEU QD . . 4.820 3.433 2.746 4.275 . 0 0 "[ . 1 . 2]" 1
411 1 28 THR HB 1 29 GLU H . . 3.510 2.343 2.229 2.506 . 0 0 "[ . 1 . 2]" 1
412 1 28 THR HB 1 30 GLU H . . 3.540 3.112 2.962 3.272 . 0 0 "[ . 1 . 2]" 1
413 1 28 THR HB 1 31 SER H . . 5.170 4.033 3.725 4.177 . 0 0 "[ . 1 . 2]" 1
414 1 28 THR MG 1 29 GLU H . . 4.100 3.783 3.704 3.845 . 0 0 "[ . 1 . 2]" 1
415 1 28 THR MG 1 30 GLU H . . 4.450 4.419 4.312 4.453 0.003 18 0 "[ . 1 . 2]" 1
416 1 28 THR MG 1 31 SER H . . 4.570 4.291 4.058 4.431 . 0 0 "[ . 1 . 2]" 1
417 1 29 GLU H 1 29 GLU HB2 . . 3.890 2.312 2.179 2.685 . 0 0 "[ . 1 . 2]" 1
418 1 29 GLU H 1 29 GLU QB . . 3.240 2.198 2.124 2.223 . 0 0 "[ . 1 . 2]" 1
419 1 29 GLU H 1 29 GLU HB3 . . 3.890 2.887 2.371 3.528 . 0 0 "[ . 1 . 2]" 1
420 1 29 GLU H 1 29 GLU HG2 . . 4.660 4.403 4.122 4.562 . 0 0 "[ . 1 . 2]" 1
421 1 29 GLU H 1 29 GLU QG . . 3.920 3.731 2.867 4.033 0.113 5 0 "[ . 1 . 2]" 1
422 1 29 GLU H 1 29 GLU HG3 . . 4.660 4.089 2.922 4.627 . 0 0 "[ . 1 . 2]" 1
423 1 29 GLU H 1 30 GLU H . . 3.800 2.749 2.692 2.776 . 0 0 "[ . 1 . 2]" 1
424 1 29 GLU H 1 46 LEU QD . . 4.180 3.295 2.471 4.148 . 0 0 "[ . 1 . 2]" 1
425 1 29 GLU HA 1 29 GLU HG2 . . 3.790 2.740 2.269 3.485 . 0 0 "[ . 1 . 2]" 1
426 1 29 GLU HA 1 29 GLU QG . . 2.960 2.342 2.167 2.544 . 0 0 "[ . 1 . 2]" 1
427 1 29 GLU HA 1 29 GLU HG3 . . 3.790 2.707 2.188 3.609 . 0 0 "[ . 1 . 2]" 1
428 1 29 GLU HA 1 32 ILE H . . 4.230 3.437 3.241 3.663 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLU HA 1 44 VAL HB . . 5.290 4.493 3.794 5.292 0.002 12 0 "[ . 1 . 2]" 1
430 1 29 GLU HA 1 44 VAL QG . . 3.170 2.869 2.533 3.173 0.003 2 0 "[ . 1 . 2]" 1
431 1 29 GLU HA 1 46 LEU QD . . 3.660 2.262 1.841 2.979 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLU QB 1 44 VAL QG . . 4.270 3.638 2.872 3.982 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLU QB 1 46 LEU QD . . 4.310 2.936 2.266 3.982 . 0 0 "[ . 1 . 2]" 1
434 1 29 GLU HB2 1 30 GLU H . . 4.210 3.564 2.801 4.092 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLU HB2 1 44 VAL MG1 . . 5.500 4.224 3.000 4.929 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLU HB2 1 44 VAL MG2 . . 5.500 5.320 4.380 5.503 0.003 19 0 "[ . 1 . 2]" 1
437 1 29 GLU HB3 1 30 GLU H . . 4.210 2.751 2.549 3.429 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLU HB3 1 44 VAL MG1 . . 5.500 4.594 3.913 5.159 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLU HB3 1 44 VAL MG2 . . 5.500 5.116 3.932 5.511 0.011 5 0 "[ . 1 . 2]" 1
440 1 29 GLU QG 1 44 VAL HB . . 4.340 2.722 1.937 4.218 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLU QG 1 44 VAL QG . . 2.930 2.275 1.674 2.625 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLU QG 1 46 LEU QB . . 4.960 4.272 3.692 4.960 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLU QG 1 46 LEU QD . . 3.400 2.498 1.886 3.011 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLU HG2 1 44 VAL HB . . 5.000 3.190 2.028 4.640 . 0 0 "[ . 1 . 2]" 1
445 1 29 GLU HG2 1 44 VAL MG1 . . 4.510 2.964 1.965 3.818 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLU HG2 1 44 VAL MG2 . . 4.510 3.349 2.599 4.328 . 0 0 "[ . 1 . 2]" 1
447 1 29 GLU HG3 1 44 VAL HB . . 5.000 3.212 2.230 4.844 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLU HG3 1 44 VAL MG1 . . 4.510 2.693 1.807 4.050 . 0 0 "[ . 1 . 2]" 1
449 1 29 GLU HG3 1 44 VAL MG2 . . 4.510 3.845 3.213 4.515 0.005 16 0 "[ . 1 . 2]" 1
450 1 30 GLU H 1 30 GLU HB2 . . 3.670 2.392 2.186 3.525 . 0 0 "[ . 1 . 2]" 1
451 1 30 GLU H 1 30 GLU QB . . 2.980 2.298 2.165 2.489 . 0 0 "[ . 1 . 2]" 1
452 1 30 GLU H 1 30 GLU HB3 . . 3.670 3.485 2.236 3.592 . 0 0 "[ . 1 . 2]" 1
453 1 30 GLU H 1 30 GLU HG2 . . 4.050 3.511 2.718 4.039 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLU H 1 30 GLU HG3 . . 4.050 2.705 2.132 3.821 . 0 0 "[ . 1 . 2]" 1
455 1 30 GLU H 1 31 SER H . . 3.470 2.652 2.558 2.741 . 0 0 "[ . 1 . 2]" 1
456 1 30 GLU H 1 32 ILE H . . 4.530 4.216 4.119 4.312 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLU HA 1 30 GLU HG2 . . 3.950 2.497 2.172 3.843 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLU HA 1 30 GLU QG . . 3.280 2.349 2.132 3.261 . 0 0 "[ . 1 . 2]" 1
459 1 30 GLU HA 1 30 GLU HG3 . . 3.950 3.053 2.593 3.672 . 0 0 "[ . 1 . 2]" 1
460 1 30 GLU HA 1 33 LYS H . . 3.880 3.534 3.257 3.709 . 0 0 "[ . 1 . 2]" 1
461 1 30 GLU HA 1 33 LYS QD . . 3.770 3.027 1.822 3.521 . 0 0 "[ . 1 . 2]" 1
462 1 30 GLU HA 1 33 LYS HG3 . . 3.860 3.115 2.290 3.590 . 0 0 "[ . 1 . 2]" 1
463 1 30 GLU HA 1 44 VAL QG . . 5.440 5.168 4.340 5.447 0.007 14 0 "[ . 1 . 2]" 1
464 1 30 GLU QB 1 31 SER H . . 4.160 2.764 2.590 3.455 . 0 0 "[ . 1 . 2]" 1
465 1 30 GLU QG 1 33 LYS QD . . 4.140 3.769 2.857 4.180 0.040 4 0 "[ . 1 . 2]" 1
466 1 31 SER H 1 31 SER HB2 . . 3.960 2.365 2.191 2.807 . 0 0 "[ . 1 . 2]" 1
467 1 31 SER H 1 31 SER QB . . 3.310 2.270 2.152 2.488 . 0 0 "[ . 1 . 2]" 1
468 1 31 SER H 1 31 SER HB3 . . 3.960 3.193 2.293 3.598 . 0 0 "[ . 1 . 2]" 1
469 1 31 SER H 1 32 ILE H . . 3.410 2.612 2.487 2.712 . 0 0 "[ . 1 . 2]" 1
470 1 31 SER H 1 32 ILE HA . . 5.500 5.231 5.132 5.310 . 0 0 "[ . 1 . 2]" 1
471 1 31 SER HA 1 33 LYS H . . 4.720 4.541 4.336 4.677 . 0 0 "[ . 1 . 2]" 1
472 1 31 SER HA 1 34 GLU H . . 3.800 3.677 3.557 3.759 . 0 0 "[ . 1 . 2]" 1
473 1 31 SER HA 1 34 GLU QB . . 4.070 3.515 2.849 4.004 . 0 0 "[ . 1 . 2]" 1
474 1 31 SER HA 1 34 GLU QG . . 4.320 2.820 1.967 4.170 . 0 0 "[ . 1 . 2]" 1
475 1 31 SER QB 1 32 ILE H . . 3.570 2.650 2.518 2.777 . 0 0 "[ . 1 . 2]" 1
476 1 31 SER QB 1 32 ILE MD . . 4.140 3.378 2.247 3.980 . 0 0 "[ . 1 . 2]" 1
477 1 31 SER QB 1 81 LEU MD1 . . 3.820 3.124 2.221 3.825 0.005 8 0 "[ . 1 . 2]" 1
478 1 31 SER QB 1 81 LEU MD2 . . 3.920 3.393 3.050 3.922 0.002 8 0 "[ . 1 . 2]" 1
479 1 31 SER HB2 1 32 ILE H . . 4.310 3.201 2.657 4.068 . 0 0 "[ . 1 . 2]" 1
480 1 31 SER HB2 1 81 LEU MD2 . . 4.530 4.388 4.044 4.537 0.007 4 0 "[ . 1 . 2]" 1
481 1 31 SER HB3 1 32 ILE H . . 4.310 3.179 2.557 3.870 . 0 0 "[ . 1 . 2]" 1
482 1 31 SER HB3 1 81 LEU MD2 . . 4.530 3.547 3.127 4.313 . 0 0 "[ . 1 . 2]" 1
483 1 32 ILE H 1 32 ILE HB . . 3.030 2.529 2.399 2.597 . 0 0 "[ . 1 . 2]" 1
484 1 32 ILE H 1 32 ILE MD . . 4.050 3.123 1.884 3.479 . 0 0 "[ . 1 . 2]" 1
485 1 32 ILE H 1 32 ILE HG12 . . 3.900 2.348 1.983 3.895 . 0 0 "[ . 1 . 2]" 1
486 1 32 ILE H 1 32 ILE QG . . 3.340 2.231 1.971 3.204 . 0 0 "[ . 1 . 2]" 1
487 1 32 ILE H 1 32 ILE HG13 . . 3.900 3.495 3.363 3.621 . 0 0 "[ . 1 . 2]" 1
488 1 32 ILE H 1 32 ILE MG . . 4.030 3.761 3.735 3.768 . 0 0 "[ . 1 . 2]" 1
489 1 32 ILE H 1 33 LYS H . . 3.350 2.660 2.545 2.738 . 0 0 "[ . 1 . 2]" 1
490 1 32 ILE H 1 33 LYS HG3 . . 4.700 4.367 3.874 4.618 . 0 0 "[ . 1 . 2]" 1
491 1 32 ILE H 1 34 GLU H . . 4.500 4.249 4.174 4.319 . 0 0 "[ . 1 . 2]" 1
492 1 32 ILE HA 1 32 ILE MD . . 3.250 2.214 1.980 2.993 . 0 0 "[ . 1 . 2]" 1
493 1 32 ILE HA 1 32 ILE HG12 . . 3.810 3.075 2.891 3.588 . 0 0 "[ . 1 . 2]" 1
494 1 32 ILE HA 1 32 ILE HG13 . . 3.810 3.532 2.267 3.787 . 0 0 "[ . 1 . 2]" 1
495 1 32 ILE HA 1 32 ILE MG . . 3.230 2.324 2.258 2.457 . 0 0 "[ . 1 . 2]" 1
496 1 32 ILE HA 1 34 GLU H . . 4.600 4.544 4.494 4.598 . 0 0 "[ . 1 . 2]" 1
497 1 32 ILE HA 1 35 PHE H . . 3.830 3.396 3.329 3.472 . 0 0 "[ . 1 . 2]" 1
498 1 32 ILE HA 1 35 PHE QB . . 3.240 2.357 2.233 2.588 . 0 0 "[ . 1 . 2]" 1
499 1 32 ILE HA 1 36 PHE H . . 4.410 4.237 3.996 4.406 . 0 0 "[ . 1 . 2]" 1
500 1 32 ILE HA 1 81 LEU MD1 . . 4.790 4.152 3.546 4.796 0.006 19 0 "[ . 1 . 2]" 1
501 1 32 ILE HB 1 32 ILE MD . . 3.450 3.072 2.223 3.230 . 0 0 "[ . 1 . 2]" 1
502 1 32 ILE HB 1 33 LYS H . . 3.370 2.542 2.440 2.752 . 0 0 "[ . 1 . 2]" 1
503 1 32 ILE HB 1 33 LYS HA . . 4.420 4.217 4.139 4.409 . 0 0 "[ . 1 . 2]" 1
504 1 32 ILE MD 1 35 PHE QB . . 4.600 3.550 3.293 4.449 . 0 0 "[ . 1 . 2]" 1
505 1 32 ILE MG 1 33 LYS H . . 4.140 3.406 3.281 3.506 . 0 0 "[ . 1 . 2]" 1
506 1 32 ILE MG 1 33 LYS HA . . 4.130 3.484 3.326 3.594 . 0 0 "[ . 1 . 2]" 1
507 1 32 ILE MG 1 33 LYS HG3 . . 4.570 4.284 3.916 4.484 . 0 0 "[ . 1 . 2]" 1
508 1 32 ILE MG 1 35 PHE QB . . 4.340 3.398 3.227 3.584 . 0 0 "[ . 1 . 2]" 1
509 1 32 ILE MG 1 36 PHE H . . 4.800 4.155 3.678 4.400 . 0 0 "[ . 1 . 2]" 1
510 1 32 ILE MG 1 36 PHE QD . . 3.140 2.149 1.937 2.447 . 0 0 "[ . 1 . 2]" 1
511 1 32 ILE MG 1 36 PHE QE . . 3.280 2.260 2.014 2.695 . 0 0 "[ . 1 . 2]" 1
512 1 33 LYS H 1 33 LYS HB2 . . 3.100 2.504 2.395 2.644 . 0 0 "[ . 1 . 2]" 1
513 1 33 LYS H 1 33 LYS HG2 . . 3.940 3.201 2.847 3.417 . 0 0 "[ . 1 . 2]" 1
514 1 33 LYS H 1 33 LYS HG3 . . 3.270 2.260 1.894 2.476 . 0 0 "[ . 1 . 2]" 1
515 1 33 LYS H 1 34 GLU H . . 3.380 2.776 2.697 2.811 . 0 0 "[ . 1 . 2]" 1
516 1 33 LYS H 1 34 GLU QG . . 4.820 4.272 3.837 4.705 . 0 0 "[ . 1 . 2]" 1
517 1 33 LYS H 1 35 PHE H . . 4.680 3.985 3.907 4.137 . 0 0 "[ . 1 . 2]" 1
518 1 33 LYS H 1 44 VAL MG1 . . 5.050 4.344 3.918 4.725 . 0 0 "[ . 1 . 2]" 1
519 1 33 LYS H 1 44 VAL QG . . 4.140 3.662 3.308 4.060 . 0 0 "[ . 1 . 2]" 1
520 1 33 LYS H 1 44 VAL MG2 . . 5.050 3.976 3.492 4.842 . 0 0 "[ . 1 . 2]" 1
521 1 33 LYS HA 1 33 LYS QE . . 4.480 4.145 3.279 4.486 0.006 15 0 "[ . 1 . 2]" 1
522 1 33 LYS HA 1 33 LYS HG2 . . 3.390 2.460 2.329 2.829 . 0 0 "[ . 1 . 2]" 1
523 1 33 LYS HA 1 33 LYS HG3 . . 3.520 3.220 2.985 3.464 . 0 0 "[ . 1 . 2]" 1
524 1 33 LYS HA 1 36 PHE H . . 4.280 3.736 3.651 3.846 . 0 0 "[ . 1 . 2]" 1
525 1 33 LYS HA 1 36 PHE HB2 . . 4.620 3.417 3.174 3.682 . 0 0 "[ . 1 . 2]" 1
526 1 33 LYS HA 1 41 ILE MD . . 3.450 3.243 3.071 3.449 . 0 0 "[ . 1 . 2]" 1
527 1 33 LYS HA 1 41 ILE MG . . 3.920 3.578 3.187 3.902 . 0 0 "[ . 1 . 2]" 1
528 1 33 LYS HA 1 44 VAL QG . . 5.440 3.751 3.264 4.663 . 0 0 "[ . 1 . 2]" 1
529 1 33 LYS HB2 1 34 GLU H . . 3.520 2.490 2.449 2.543 . 0 0 "[ . 1 . 2]" 1
530 1 33 LYS HB3 1 41 ILE MD . . 5.110 4.820 4.512 5.078 . 0 0 "[ . 1 . 2]" 1
531 1 33 LYS HB3 1 41 ILE MG . . 4.730 4.153 3.733 4.425 . 0 0 "[ . 1 . 2]" 1
532 1 33 LYS QD 1 41 ILE MG . . 4.920 4.238 3.519 4.802 . 0 0 "[ . 1 . 2]" 1
533 1 33 LYS QD 1 44 VAL QG . . 4.490 3.896 3.100 4.495 0.005 5 0 "[ . 1 . 2]" 1
534 1 33 LYS QE 1 33 LYS HG2 . . 3.440 2.226 2.082 2.334 . 0 0 "[ . 1 . 2]" 1
535 1 33 LYS QE 1 33 LYS HG3 . . 3.920 2.851 2.496 3.275 . 0 0 "[ . 1 . 2]" 1
536 1 33 LYS QE 1 41 ILE MG . . 3.800 3.162 2.469 3.671 . 0 0 "[ . 1 . 2]" 1
537 1 33 LYS QE 1 44 VAL QG . . 3.650 3.091 2.514 3.663 0.013 4 0 "[ . 1 . 2]" 1
538 1 33 LYS HG2 1 41 ILE MD . . 4.340 3.338 2.971 3.666 . 0 0 "[ . 1 . 2]" 1
539 1 33 LYS HG2 1 41 ILE MG . . 3.960 3.246 2.898 3.709 . 0 0 "[ . 1 . 2]" 1
540 1 33 LYS HG2 1 44 VAL QG . . 4.150 2.756 2.125 3.827 . 0 0 "[ . 1 . 2]" 1
541 1 33 LYS HG3 1 44 VAL QG . . 3.590 3.059 2.504 3.593 0.003 5 0 "[ . 1 . 2]" 1
542 1 34 GLU H 1 34 GLU QB . . 2.860 2.454 2.315 2.594 . 0 0 "[ . 1 . 2]" 1
543 1 34 GLU H 1 34 GLU QG . . 3.520 2.239 1.945 2.553 . 0 0 "[ . 1 . 2]" 1
544 1 34 GLU HA 1 34 GLU QG . . 3.480 3.016 2.267 3.438 . 0 0 "[ . 1 . 2]" 1
545 1 34 GLU QB 1 35 PHE H . . 3.860 3.131 2.554 3.539 . 0 0 "[ . 1 . 2]" 1
546 1 34 GLU QB 1 36 PHE H . . 5.340 4.802 4.496 5.093 . 0 0 "[ . 1 . 2]" 1
547 1 34 GLU HB2 1 35 PHE H . . 4.690 3.384 2.612 3.959 . 0 0 "[ . 1 . 2]" 1
548 1 34 GLU HB3 1 35 PHE H . . 4.690 3.850 3.599 4.011 . 0 0 "[ . 1 . 2]" 1
549 1 34 GLU QG 1 35 PHE H . . 4.450 3.053 2.065 4.231 . 0 0 "[ . 1 . 2]" 1
550 1 35 PHE H 1 35 PHE QB . . 2.970 2.247 2.207 2.263 . 0 0 "[ . 1 . 2]" 1
551 1 35 PHE H 1 35 PHE QD . . 4.240 4.158 4.060 4.188 . 0 0 "[ . 1 . 2]" 1
552 1 35 PHE H 1 36 PHE H . . 3.270 2.628 2.534 2.806 . 0 0 "[ . 1 . 2]" 1
553 1 35 PHE H 1 37 ARG H . . 4.150 4.036 3.945 4.119 . 0 0 "[ . 1 . 2]" 1
554 1 35 PHE HA 1 35 PHE QD . . 3.400 2.347 2.125 2.577 . 0 0 "[ . 1 . 2]" 1
555 1 35 PHE HA 1 37 ARG H . . 4.520 3.735 3.593 3.857 . 0 0 "[ . 1 . 2]" 1
556 1 35 PHE HA 1 81 LEU MD1 . . 4.460 3.681 3.332 4.241 . 0 0 "[ . 1 . 2]" 1
557 1 35 PHE QB 1 36 PHE H . . 3.340 2.792 2.515 3.048 . 0 0 "[ . 1 . 2]" 1
558 1 35 PHE QB 1 81 LEU MD1 . . 3.350 2.278 1.910 3.061 . 0 0 "[ . 1 . 2]" 1
559 1 35 PHE QB 1 81 LEU MD2 . . 3.850 3.459 3.162 3.701 . 0 0 "[ . 1 . 2]" 1
560 1 35 PHE QD 1 36 PHE H . . 4.340 4.151 3.834 4.333 . 0 0 "[ . 1 . 2]" 1
561 1 35 PHE QD 1 36 PHE QD . . 4.430 3.801 3.495 4.045 . 0 0 "[ . 1 . 2]" 1
562 1 35 PHE QD 1 36 PHE QE . . 4.440 3.514 3.203 3.932 . 0 0 "[ . 1 . 2]" 1
563 1 35 PHE QD 1 36 PHE HZ . . 4.810 3.845 3.490 4.457 . 0 0 "[ . 1 . 2]" 1
564 1 35 PHE QD 1 76 LEU MD1 . . 4.310 3.297 2.876 3.667 . 0 0 "[ . 1 . 2]" 1
565 1 35 PHE QD 1 81 LEU HB2 . . 4.170 3.357 2.871 4.026 . 0 0 "[ . 1 . 2]" 1
566 1 35 PHE QD 1 81 LEU MD1 . . 3.540 2.357 2.021 2.835 . 0 0 "[ . 1 . 2]" 1
567 1 35 PHE QD 1 81 LEU MD2 . . 4.220 3.662 3.487 3.794 . 0 0 "[ . 1 . 2]" 1
568 1 35 PHE QE 1 36 PHE QE . . 4.510 3.731 3.123 4.092 . 0 0 "[ . 1 . 2]" 1
569 1 35 PHE QE 1 36 PHE HZ . . 4.230 3.902 3.216 4.235 0.005 19 0 "[ . 1 . 2]" 1
570 1 35 PHE QE 1 76 LEU HB2 . . 4.370 3.200 2.864 3.488 . 0 0 "[ . 1 . 2]" 1
571 1 35 PHE QE 1 76 LEU HB3 . . 4.230 2.944 2.633 3.151 . 0 0 "[ . 1 . 2]" 1
572 1 35 PHE QE 1 76 LEU MD1 . . 3.900 2.682 2.305 3.073 . 0 0 "[ . 1 . 2]" 1
573 1 35 PHE QE 1 76 LEU MD2 . . 4.340 3.301 2.812 3.661 . 0 0 "[ . 1 . 2]" 1
574 1 35 PHE QE 1 79 GLU HB2 . . 4.430 3.337 2.813 3.728 . 0 0 "[ . 1 . 2]" 1
575 1 35 PHE QE 1 79 GLU HB3 . . 4.430 2.607 2.000 2.993 . 0 0 "[ . 1 . 2]" 1
576 1 35 PHE QE 1 81 LEU HB2 . . 4.420 2.793 2.450 3.267 . 0 0 "[ . 1 . 2]" 1
577 1 35 PHE QE 1 86 ILE MD . . 3.980 2.860 2.598 3.142 . 0 0 "[ . 1 . 2]" 1
578 1 35 PHE QE 1 86 ILE HG12 . . 4.570 3.503 3.175 3.801 . 0 0 "[ . 1 . 2]" 1
579 1 35 PHE QE 1 86 ILE MG . . 4.970 4.627 4.264 4.886 . 0 0 "[ . 1 . 2]" 1
580 1 35 PHE QE 1 88 VAL MG2 . . 3.610 3.264 2.918 3.507 . 0 0 "[ . 1 . 2]" 1
581 1 35 PHE HZ 1 76 LEU HB2 . . 4.500 3.292 2.941 3.629 . 0 0 "[ . 1 . 2]" 1
582 1 35 PHE HZ 1 76 LEU HB3 . . 4.090 2.070 1.996 2.275 . 0 0 "[ . 1 . 2]" 1
583 1 35 PHE HZ 1 76 LEU MD1 . . 4.380 3.408 3.105 3.709 . 0 0 "[ . 1 . 2]" 1
584 1 35 PHE HZ 1 76 LEU MD2 . . 4.310 3.369 2.823 3.814 . 0 0 "[ . 1 . 2]" 1
585 1 35 PHE HZ 1 79 GLU H . . 4.850 4.629 4.202 4.851 0.001 14 0 "[ . 1 . 2]" 1
586 1 35 PHE HZ 1 79 GLU HB2 . . 4.200 2.826 2.590 3.260 . 0 0 "[ . 1 . 2]" 1
587 1 35 PHE HZ 1 79 GLU QB . . 3.670 2.694 2.449 3.058 . 0 0 "[ . 1 . 2]" 1
588 1 35 PHE HZ 1 79 GLU HB3 . . 4.200 3.426 2.954 3.720 . 0 0 "[ . 1 . 2]" 1
589 1 35 PHE HZ 1 86 ILE HB . . 5.500 5.352 4.911 5.500 0.000 14 0 "[ . 1 . 2]" 1
590 1 35 PHE HZ 1 86 ILE MD . . 4.550 2.421 2.088 2.853 . 0 0 "[ . 1 . 2]" 1
591 1 35 PHE HZ 1 86 ILE MG . . 5.270 4.878 4.573 5.251 . 0 0 "[ . 1 . 2]" 1
592 1 35 PHE HZ 1 88 VAL MG2 . . 4.250 3.997 3.547 4.251 0.001 17 0 "[ . 1 . 2]" 1
593 1 36 PHE H 1 36 PHE HB2 . . 3.230 2.375 2.239 2.444 . 0 0 "[ . 1 . 2]" 1
594 1 36 PHE H 1 36 PHE HB3 . . 3.840 3.613 3.518 3.662 . 0 0 "[ . 1 . 2]" 1
595 1 36 PHE H 1 37 ARG H . . 3.330 2.535 2.339 2.693 . 0 0 "[ . 1 . 2]" 1
596 1 36 PHE H 1 37 ARG QB . . 5.340 4.315 4.121 4.525 . 0 0 "[ . 1 . 2]" 1
597 1 36 PHE H 1 41 ILE MD . . 5.020 4.905 4.691 5.019 . 0 0 "[ . 1 . 2]" 1
598 1 36 PHE HB2 1 37 ARG H . . 4.540 3.933 3.870 3.997 . 0 0 "[ . 1 . 2]" 1
599 1 36 PHE HB2 1 39 LEU MD1 . . 4.170 3.849 3.505 4.069 . 0 0 "[ . 1 . 2]" 1
600 1 36 PHE HB2 1 41 ILE MD . . 3.400 3.147 2.980 3.265 . 0 0 "[ . 1 . 2]" 1
601 1 36 PHE HB2 1 64 PHE QE . . 4.500 3.781 3.340 4.172 . 0 0 "[ . 1 . 2]" 1
602 1 36 PHE HB3 1 37 ARG H . . 4.640 4.323 4.243 4.388 . 0 0 "[ . 1 . 2]" 1
603 1 36 PHE HB3 1 39 LEU HB2 . . 4.090 2.706 2.339 3.039 . 0 0 "[ . 1 . 2]" 1
604 1 36 PHE HB3 1 39 LEU MD1 . . 2.950 2.351 1.995 2.596 . 0 0 "[ . 1 . 2]" 1
605 1 36 PHE HB3 1 41 ILE MD . . 3.740 3.689 3.520 3.746 0.006 4 0 "[ . 1 . 2]" 1
606 1 36 PHE HB3 1 64 PHE QE . . 4.220 2.895 2.593 3.230 . 0 0 "[ . 1 . 2]" 1
607 1 36 PHE QD 1 39 LEU MD1 . . 3.280 2.107 1.939 2.463 . 0 0 "[ . 1 . 2]" 1
608 1 36 PHE QD 1 41 ILE MD . . 3.410 2.623 2.060 2.980 . 0 0 "[ . 1 . 2]" 1
609 1 36 PHE QD 1 62 ALA MB . . 3.760 3.352 2.984 3.702 . 0 0 "[ . 1 . 2]" 1
610 1 36 PHE QD 1 64 PHE HZ . . 4.670 3.041 2.851 3.348 . 0 0 "[ . 1 . 2]" 1
611 1 36 PHE QD 1 73 ALA HA . . 3.800 3.457 3.052 3.780 . 0 0 "[ . 1 . 2]" 1
612 1 36 PHE QD 1 73 ALA MB . . 3.730 3.465 3.160 3.724 . 0 0 "[ . 1 . 2]" 1
613 1 36 PHE QD 1 76 LEU MD1 . . 3.110 2.418 2.076 2.805 . 0 0 "[ . 1 . 2]" 1
614 1 36 PHE QD 1 76 LEU MD2 . . 5.350 4.583 4.272 5.114 . 0 0 "[ . 1 . 2]" 1
615 1 36 PHE QE 1 62 ALA MB . . 3.180 2.499 2.036 2.834 . 0 0 "[ . 1 . 2]" 1
616 1 36 PHE QE 1 73 ALA HA . . 3.480 2.737 2.065 3.328 . 0 0 "[ . 1 . 2]" 1
617 1 36 PHE QE 1 73 ALA MB . . 3.330 2.185 1.938 2.684 . 0 0 "[ . 1 . 2]" 1
618 1 36 PHE QE 1 76 LEU HB2 . . 4.290 3.806 3.297 4.271 . 0 0 "[ . 1 . 2]" 1
619 1 36 PHE QE 1 76 LEU MD1 . . 3.930 2.355 1.936 2.906 . 0 0 "[ . 1 . 2]" 1
620 1 36 PHE QE 1 88 VAL MG2 . . 3.790 3.250 2.972 3.530 . 0 0 "[ . 1 . 2]" 1
621 1 36 PHE HZ 1 62 ALA MB . . 4.080 3.603 3.095 3.928 . 0 0 "[ . 1 . 2]" 1
622 1 36 PHE HZ 1 64 PHE HZ . . 5.280 3.600 3.089 4.045 . 0 0 "[ . 1 . 2]" 1
623 1 36 PHE HZ 1 73 ALA MB . . 3.990 3.463 2.661 3.858 . 0 0 "[ . 1 . 2]" 1
624 1 36 PHE HZ 1 88 VAL MG2 . . 4.060 3.631 3.395 4.056 . 0 0 "[ . 1 . 2]" 1
625 1 37 ARG H 1 37 ARG HB2 . . 3.690 2.741 2.161 3.597 . 0 0 "[ . 1 . 2]" 1
626 1 37 ARG H 1 37 ARG QB . . 2.900 2.258 2.119 2.425 . 0 0 "[ . 1 . 2]" 1
627 1 37 ARG H 1 37 ARG HB3 . . 3.690 2.636 2.315 3.071 . 0 0 "[ . 1 . 2]" 1
628 1 37 ARG H 1 37 ARG HD2 . . 5.500 4.865 4.422 5.482 . 0 0 "[ . 1 . 2]" 1
629 1 37 ARG H 1 37 ARG HD3 . . 5.500 4.611 3.337 5.525 0.025 19 0 "[ . 1 . 2]" 1
630 1 37 ARG H 1 37 ARG QG . . 4.040 3.484 2.256 4.030 . 0 0 "[ . 1 . 2]" 1
631 1 37 ARG H 1 38 GLY H . . 4.640 4.629 4.613 4.636 . 0 0 "[ . 1 . 2]" 1
632 1 37 ARG H 1 39 LEU MD1 . . 5.080 4.852 4.066 5.079 . 0 0 "[ . 1 . 2]" 1
633 1 37 ARG HA 1 37 ARG HD2 . . 5.020 4.301 2.440 4.941 . 0 0 "[ . 1 . 2]" 1
634 1 37 ARG HA 1 37 ARG QD . . 4.290 3.761 2.408 4.258 . 0 0 "[ . 1 . 2]" 1
635 1 37 ARG HA 1 37 ARG HD3 . . 5.020 4.275 2.777 4.797 . 0 0 "[ . 1 . 2]" 1
636 1 37 ARG HA 1 37 ARG QG . . 3.400 2.714 2.143 3.440 0.040 3 0 "[ . 1 . 2]" 1
637 1 37 ARG HA 1 38 GLY H . . 3.170 2.244 2.213 2.257 . 0 0 "[ . 1 . 2]" 1
638 1 37 ARG HA 1 38 GLY QA . . 4.410 3.987 3.968 3.995 . 0 0 "[ . 1 . 2]" 1
639 1 37 ARG HA 1 39 LEU H . . 3.810 3.584 3.315 3.769 . 0 0 "[ . 1 . 2]" 1
640 1 37 ARG QB 1 37 ARG QD . . 3.160 2.149 2.043 2.524 . 0 0 "[ . 1 . 2]" 1
641 1 37 ARG QG 1 38 GLY H . . 4.150 2.835 2.129 4.152 0.002 3 0 "[ . 1 . 2]" 1
642 1 37 ARG QG 1 38 GLY QA . . 4.370 3.417 2.889 4.073 . 0 0 "[ . 1 . 2]" 1
643 1 38 GLY H 1 39 LEU H . . 3.600 2.910 2.349 3.234 . 0 0 "[ . 1 . 2]" 1
644 1 39 LEU H 1 39 LEU HB2 . . 3.340 2.759 2.597 3.017 . 0 0 "[ . 1 . 2]" 1
645 1 39 LEU H 1 39 LEU HB3 . . 3.990 3.708 3.600 3.967 . 0 0 "[ . 1 . 2]" 1
646 1 39 LEU H 1 39 LEU MD1 . . 4.490 3.752 3.468 4.194 . 0 0 "[ . 1 . 2]" 1
647 1 39 LEU H 1 39 LEU MD2 . . 4.460 3.326 2.780 3.975 . 0 0 "[ . 1 . 2]" 1
648 1 39 LEU H 1 39 LEU HG . . 3.520 2.359 1.924 3.150 . 0 0 "[ . 1 . 2]" 1
649 1 39 LEU H 1 40 ASN H . . 4.590 4.520 4.333 4.610 0.020 16 0 "[ . 1 . 2]" 1
650 1 39 LEU HB2 1 39 LEU MD1 . . 3.290 2.296 2.126 2.479 . 0 0 "[ . 1 . 2]" 1
651 1 39 LEU HB2 1 40 ASN H . . 3.960 3.491 2.883 3.918 . 0 0 "[ . 1 . 2]" 1
652 1 39 LEU HB2 1 41 ILE H . . 5.030 4.807 4.620 4.972 . 0 0 "[ . 1 . 2]" 1
653 1 39 LEU HB2 1 64 PHE QE . . 4.000 3.289 2.668 3.909 . 0 0 "[ . 1 . 2]" 1
654 1 39 LEU HB2 1 69 SER QB . . 4.430 3.634 3.057 4.216 . 0 0 "[ . 1 . 2]" 1
655 1 39 LEU HB3 1 39 LEU MD1 . . 3.320 2.393 2.174 2.518 . 0 0 "[ . 1 . 2]" 1
656 1 39 LEU HB3 1 39 LEU MD2 . . 3.410 2.308 2.196 2.424 . 0 0 "[ . 1 . 2]" 1
657 1 39 LEU HB3 1 40 ASN H . . 3.610 2.632 2.045 3.120 . 0 0 "[ . 1 . 2]" 1
658 1 39 LEU HB3 1 64 PHE QD . . 4.730 4.062 3.558 4.369 . 0 0 "[ . 1 . 2]" 1
659 1 39 LEU HB3 1 64 PHE QE . . 4.750 3.888 3.328 4.349 . 0 0 "[ . 1 . 2]" 1
660 1 39 LEU HB3 1 69 SER H . . 4.830 4.687 4.351 4.836 0.006 8 0 "[ . 1 . 2]" 1
661 1 39 LEU HB3 1 69 SER HA . . 4.300 2.694 2.403 3.206 . 0 0 "[ . 1 . 2]" 1
662 1 39 LEU HB3 1 69 SER QB . . 3.970 2.409 1.878 3.072 . 0 0 "[ . 1 . 2]" 1
663 1 39 LEU MD1 1 64 PHE QD . . 4.440 4.249 3.992 4.438 . 0 0 "[ . 1 . 2]" 1
664 1 39 LEU MD1 1 64 PHE QE . . 3.650 3.214 2.871 3.494 . 0 0 "[ . 1 . 2]" 1
665 1 39 LEU MD1 1 64 PHE HZ . . 3.830 3.259 2.732 3.592 . 0 0 "[ . 1 . 2]" 1
666 1 39 LEU MD1 1 69 SER HA . . 4.130 2.688 1.979 3.350 . 0 0 "[ . 1 . 2]" 1
667 1 39 LEU MD1 1 69 SER HB2 . . 4.840 4.121 2.402 4.794 . 0 0 "[ . 1 . 2]" 1
668 1 39 LEU MD1 1 69 SER QB . . 4.020 2.932 2.379 3.361 . 0 0 "[ . 1 . 2]" 1
669 1 39 LEU MD1 1 69 SER HB3 . . 4.840 3.170 2.608 3.848 . 0 0 "[ . 1 . 2]" 1
670 1 39 LEU MD2 1 40 ASN H . . 3.860 3.717 3.357 3.864 0.004 14 0 "[ . 1 . 2]" 1
671 1 39 LEU MD2 1 69 SER H . . 4.420 4.045 3.784 4.354 . 0 0 "[ . 1 . 2]" 1
672 1 39 LEU MD2 1 69 SER HA . . 3.300 1.978 1.798 2.323 . 0 0 "[ . 1 . 2]" 1
673 1 39 LEU MD2 1 69 SER QB . . 3.930 3.372 2.509 3.757 . 0 0 "[ . 1 . 2]" 1
674 1 39 LEU MD2 1 72 SER H . . 4.300 3.798 3.265 4.273 . 0 0 "[ . 1 . 2]" 1
675 1 39 LEU MD2 1 72 SER HB2 . . 3.220 2.331 1.795 3.035 . 0 0 "[ . 1 . 2]" 1
676 1 39 LEU MD2 1 72 SER HB3 . . 3.220 2.373 1.911 3.141 . 0 0 "[ . 1 . 2]" 1
677 1 40 ASN H 1 40 ASN HB2 . . 3.870 2.433 2.307 2.651 . 0 0 "[ . 1 . 2]" 1
678 1 40 ASN H 1 40 ASN HB3 . . 3.870 3.638 3.572 3.753 . 0 0 "[ . 1 . 2]" 1
679 1 40 ASN H 1 69 SER QB . . 3.950 3.398 2.443 3.946 . 0 0 "[ . 1 . 2]" 1
680 1 40 ASN HA 1 41 ILE H . . 2.820 2.165 2.143 2.170 . 0 0 "[ . 1 . 2]" 1
681 1 40 ASN HA 1 41 ILE HB . . 4.720 4.486 4.407 4.547 . 0 0 "[ . 1 . 2]" 1
682 1 40 ASN HA 1 41 ILE MG . . 4.360 4.173 4.083 4.227 . 0 0 "[ . 1 . 2]" 1
683 1 40 ASN QB 1 40 ASN QD . . 3.060 2.206 2.065 2.469 . 0 0 "[ . 1 . 2]" 1
684 1 40 ASN QB 1 65 GLU H . . 4.430 3.414 2.986 3.688 . 0 0 "[ . 1 . 2]" 1
685 1 40 ASN QB 1 65 GLU QB . . 3.260 2.803 2.486 3.123 . 0 0 "[ . 1 . 2]" 1
686 1 40 ASN QB 1 65 GLU QG . . 4.440 4.085 3.513 4.410 . 0 0 "[ . 1 . 2]" 1
687 1 40 ASN QB 1 66 ASP H . . 3.910 3.012 2.722 3.330 . 0 0 "[ . 1 . 2]" 1
688 1 40 ASN HB2 1 41 ILE H . . 4.640 4.457 4.360 4.512 . 0 0 "[ . 1 . 2]" 1
689 1 40 ASN HB2 1 65 GLU HB2 . . 4.820 3.264 2.960 3.663 . 0 0 "[ . 1 . 2]" 1
690 1 40 ASN HB2 1 65 GLU HB3 . . 4.820 4.608 4.063 4.821 0.001 3 0 "[ . 1 . 2]" 1
691 1 40 ASN HB2 1 66 ASP H . . 4.630 3.082 2.767 3.437 . 0 0 "[ . 1 . 2]" 1
692 1 40 ASN HB3 1 41 ILE H . . 4.640 3.762 3.621 3.800 . 0 0 "[ . 1 . 2]" 1
693 1 40 ASN HB3 1 65 GLU HB2 . . 4.820 3.167 2.727 3.551 . 0 0 "[ . 1 . 2]" 1
694 1 40 ASN HB3 1 65 GLU HB3 . . 4.820 4.582 4.116 4.814 . 0 0 "[ . 1 . 2]" 1
695 1 40 ASN HB3 1 66 ASP H . . 4.630 4.253 3.931 4.526 . 0 0 "[ . 1 . 2]" 1
696 1 41 ILE H 1 41 ILE HB . . 3.260 2.619 2.575 2.723 . 0 0 "[ . 1 . 2]" 1
697 1 41 ILE H 1 41 ILE QG . . 4.400 4.038 4.023 4.077 . 0 0 "[ . 1 . 2]" 1
698 1 41 ILE H 1 41 ILE MG . . 3.260 2.317 2.211 2.372 . 0 0 "[ . 1 . 2]" 1
699 1 41 ILE H 1 42 SER H . . 4.780 4.511 4.456 4.541 . 0 0 "[ . 1 . 2]" 1
700 1 41 ILE HA 1 41 ILE MD . . 4.170 3.632 3.596 3.675 . 0 0 "[ . 1 . 2]" 1
701 1 41 ILE HA 1 41 ILE HG12 . . 4.070 2.975 2.881 3.046 . 0 0 "[ . 1 . 2]" 1
702 1 41 ILE HA 1 41 ILE QG . . 3.520 2.146 2.117 2.180 . 0 0 "[ . 1 . 2]" 1
703 1 41 ILE HA 1 41 ILE HG13 . . 4.070 2.202 2.163 2.244 . 0 0 "[ . 1 . 2]" 1
704 1 41 ILE HA 1 42 SER H . . 3.020 2.195 2.158 2.216 . 0 0 "[ . 1 . 2]" 1
705 1 41 ILE HA 1 43 ALA H . . 4.030 3.865 3.781 3.895 . 0 0 "[ . 1 . 2]" 1
706 1 41 ILE HA 1 64 PHE HA . . 3.320 2.661 2.461 2.904 . 0 0 "[ . 1 . 2]" 1
707 1 41 ILE HA 1 64 PHE QD . . 3.780 2.383 2.179 2.775 . 0 0 "[ . 1 . 2]" 1
708 1 41 ILE HA 1 65 GLU H . . 4.210 4.018 3.591 4.186 . 0 0 "[ . 1 . 2]" 1
709 1 41 ILE HB 1 41 ILE MD . . 3.360 2.335 2.288 2.416 . 0 0 "[ . 1 . 2]" 1
710 1 41 ILE HB 1 42 SER H . . 4.680 4.246 4.195 4.351 . 0 0 "[ . 1 . 2]" 1
711 1 41 ILE HB 1 64 PHE QD . . 4.480 3.704 3.443 3.984 . 0 0 "[ . 1 . 2]" 1
712 1 41 ILE HB 1 64 PHE QE . . 3.890 3.087 2.783 3.295 . 0 0 "[ . 1 . 2]" 1
713 1 41 ILE MD 1 43 ALA H . . 4.240 3.770 3.651 3.867 . 0 0 "[ . 1 . 2]" 1
714 1 41 ILE MD 1 63 GLU H . . 4.390 3.493 3.209 3.699 . 0 0 "[ . 1 . 2]" 1
715 1 41 ILE MD 1 64 PHE QE . . 3.730 2.821 2.334 3.210 . 0 0 "[ . 1 . 2]" 1
716 1 41 ILE MD 1 64 PHE HZ . . 4.140 3.864 3.521 4.129 . 0 0 "[ . 1 . 2]" 1
717 1 41 ILE QG 1 42 SER H . . 4.270 2.516 2.434 2.719 . 0 0 "[ . 1 . 2]" 1
718 1 41 ILE QG 1 43 ALA H . . 3.910 2.224 2.115 2.308 . 0 0 "[ . 1 . 2]" 1
719 1 41 ILE QG 1 64 PHE QD . . 3.870 2.986 2.456 3.235 . 0 0 "[ . 1 . 2]" 1
720 1 41 ILE QG 1 64 PHE QE . . 4.010 2.994 2.786 3.207 . 0 0 "[ . 1 . 2]" 1
721 1 41 ILE HG12 1 43 ALA H . . 4.490 2.258 2.148 2.341 . 0 0 "[ . 1 . 2]" 1
722 1 41 ILE HG12 1 64 PHE QE . . 4.690 4.587 4.334 4.696 0.006 10 0 "[ . 1 . 2]" 1
723 1 41 ILE HG13 1 43 ALA H . . 4.490 3.353 3.171 3.520 . 0 0 "[ . 1 . 2]" 1
724 1 41 ILE HG13 1 64 PHE QE . . 4.690 3.034 2.820 3.264 . 0 0 "[ . 1 . 2]" 1
725 1 41 ILE MG 1 42 SER H . . 3.730 3.490 3.393 3.577 . 0 0 "[ . 1 . 2]" 1
726 1 41 ILE MG 1 43 ALA H . . 3.520 3.393 3.298 3.517 . 0 0 "[ . 1 . 2]" 1
727 1 41 ILE MG 1 43 ALA HA . . 4.530 3.780 3.660 3.891 . 0 0 "[ . 1 . 2]" 1
728 1 41 ILE MG 1 63 GLU H . . 5.370 5.329 5.239 5.377 0.007 5 0 "[ . 1 . 2]" 1
729 1 42 SER H 1 42 SER HB2 . . 3.940 2.703 2.237 3.692 . 0 0 "[ . 1 . 2]" 1
730 1 42 SER H 1 42 SER QB . . 3.410 2.373 2.213 2.570 . 0 0 "[ . 1 . 2]" 1
731 1 42 SER H 1 42 SER HB3 . . 3.940 2.782 2.503 3.507 . 0 0 "[ . 1 . 2]" 1
732 1 42 SER H 1 43 ALA H . . 2.970 2.148 2.077 2.271 . 0 0 "[ . 1 . 2]" 1
733 1 42 SER H 1 43 ALA MB . . 4.510 4.414 4.373 4.497 . 0 0 "[ . 1 . 2]" 1
734 1 42 SER H 1 63 GLU H . . 4.780 4.288 4.034 4.694 . 0 0 "[ . 1 . 2]" 1
735 1 42 SER H 1 63 GLU QB . . 4.720 3.282 3.026 3.578 . 0 0 "[ . 1 . 2]" 1
736 1 42 SER H 1 64 PHE HA . . 3.580 3.065 2.762 3.477 . 0 0 "[ . 1 . 2]" 1
737 1 42 SER H 1 64 PHE QD . . 4.810 4.004 3.735 4.395 . 0 0 "[ . 1 . 2]" 1
738 1 42 SER H 1 65 GLU H . . 4.830 4.595 4.174 4.832 0.002 10 0 "[ . 1 . 2]" 1
739 1 42 SER H 1 65 GLU QG . . 4.550 4.051 3.362 4.437 . 0 0 "[ . 1 . 2]" 1
740 1 42 SER QB 1 43 ALA H . . 3.440 2.893 2.804 3.513 0.073 8 0 "[ . 1 . 2]" 1
741 1 42 SER QB 1 43 ALA MB . . 3.890 3.340 3.075 3.828 . 0 0 "[ . 1 . 2]" 1
742 1 42 SER QB 1 65 GLU QG . . 3.470 2.347 1.975 3.231 . 0 0 "[ . 1 . 2]" 1
743 1 42 SER HB2 1 43 ALA H . . 4.080 3.806 3.051 4.074 . 0 0 "[ . 1 . 2]" 1
744 1 42 SER HB2 1 63 GLU QB . . 4.340 3.594 2.284 4.361 0.021 10 0 "[ . 1 . 2]" 1
745 1 42 SER HB3 1 43 ALA H . . 4.080 3.054 2.869 3.837 . 0 0 "[ . 1 . 2]" 1
746 1 42 SER HB3 1 63 GLU QB . . 4.340 2.693 2.158 3.919 . 0 0 "[ . 1 . 2]" 1
747 1 43 ALA H 1 43 ALA MB . . 3.290 2.856 2.823 2.884 . 0 0 "[ . 1 . 2]" 1
748 1 43 ALA H 1 44 VAL H . . 4.540 4.300 4.293 4.303 . 0 0 "[ . 1 . 2]" 1
749 1 43 ALA H 1 62 ALA HA . . 5.360 5.099 4.832 5.368 0.008 5 0 "[ . 1 . 2]" 1
750 1 43 ALA H 1 63 GLU H . . 3.700 3.248 3.038 3.543 . 0 0 "[ . 1 . 2]" 1
751 1 43 ALA H 1 63 GLU QB . . 3.340 2.531 2.257 2.789 . 0 0 "[ . 1 . 2]" 1
752 1 43 ALA H 1 63 GLU QG . . 5.340 4.266 3.817 4.598 . 0 0 "[ . 1 . 2]" 1
753 1 43 ALA H 1 64 PHE HA . . 5.090 4.825 4.468 5.069 . 0 0 "[ . 1 . 2]" 1
754 1 43 ALA HA 1 44 VAL H . . 2.810 2.325 2.316 2.329 . 0 0 "[ . 1 . 2]" 1
755 1 43 ALA HA 1 44 VAL QG . . 4.400 3.352 3.094 3.922 . 0 0 "[ . 1 . 2]" 1
756 1 43 ALA MB 1 44 VAL H . . 3.130 2.570 2.530 2.701 . 0 0 "[ . 1 . 2]" 1
757 1 43 ALA MB 1 63 GLU H . . 4.080 3.811 3.581 4.087 0.007 10 0 "[ . 1 . 2]" 1
758 1 43 ALA MB 1 63 GLU QB . . 2.980 2.631 2.295 2.854 . 0 0 "[ . 1 . 2]" 1
759 1 43 ALA MB 1 63 GLU HG2 . . 4.430 3.944 2.717 4.428 . 0 0 "[ . 1 . 2]" 1
760 1 43 ALA MB 1 63 GLU QG . . 3.690 2.919 2.536 3.372 . 0 0 "[ . 1 . 2]" 1
761 1 43 ALA MB 1 63 GLU HG3 . . 4.430 3.137 2.560 4.333 . 0 0 "[ . 1 . 2]" 1
762 1 44 VAL H 1 44 VAL HB . . 3.300 2.732 2.560 3.262 . 0 0 "[ . 1 . 2]" 1
763 1 44 VAL H 1 44 VAL QG . . 3.550 2.544 1.978 2.774 . 0 0 "[ . 1 . 2]" 1
764 1 44 VAL H 1 45 ARG H . . 4.710 4.328 4.254 4.398 . 0 0 "[ . 1 . 2]" 1
765 1 44 VAL QG 1 45 ARG H . . 3.410 2.459 2.161 2.642 . 0 0 "[ . 1 . 2]" 1
766 1 44 VAL QG 1 46 LEU QD . . 3.080 2.052 1.597 2.729 . 0 0 "[ . 1 . 2]" 1
767 1 44 VAL QG 1 46 LEU HG . . 3.880 2.729 2.073 3.940 0.060 11 0 "[ . 1 . 2]" 1
768 1 44 VAL QG 1 61 TYR H . . 4.440 4.275 3.530 4.449 0.009 19 0 "[ . 1 . 2]" 1
769 1 44 VAL QG 1 62 ALA HA . . 3.800 3.299 2.753 3.603 . 0 0 "[ . 1 . 2]" 1
770 1 44 VAL QG 1 63 GLU H . . 5.170 4.036 3.755 4.258 . 0 0 "[ . 1 . 2]" 1
771 1 44 VAL MG1 1 62 ALA HA . . 4.600 3.831 3.048 4.632 0.032 10 0 "[ . 1 . 2]" 1
772 1 44 VAL MG2 1 62 ALA HA . . 4.600 3.807 2.774 4.291 . 0 0 "[ . 1 . 2]" 1
773 1 45 ARG H 1 45 ARG QB . . 3.430 2.344 2.240 2.457 . 0 0 "[ . 1 . 2]" 1
774 1 45 ARG H 1 45 ARG QG . . 4.070 3.309 2.604 4.052 . 0 0 "[ . 1 . 2]" 1
775 1 45 ARG H 1 61 TYR H . . 4.080 3.936 3.755 4.080 0.000 20 0 "[ . 1 . 2]" 1
776 1 45 ARG H 1 61 TYR QB . . 4.790 3.822 3.248 4.048 . 0 0 "[ . 1 . 2]" 1
777 1 45 ARG H 1 61 TYR QD . . 5.290 5.209 4.810 5.298 0.008 13 0 "[ . 1 . 2]" 1
778 1 45 ARG QB 1 45 ARG QD . . 3.470 2.244 2.081 2.470 . 0 0 "[ . 1 . 2]" 1
779 1 45 ARG QB 1 46 LEU H . . 4.000 3.451 3.078 3.838 . 0 0 "[ . 1 . 2]" 1
780 1 45 ARG QB 1 47 PRO QD . . 4.970 3.092 2.772 3.718 . 0 0 "[ . 1 . 2]" 1
781 1 45 ARG QB 1 61 TYR H . . 3.890 3.202 2.724 3.790 . 0 0 "[ . 1 . 2]" 1
782 1 45 ARG QB 1 61 TYR HB2 . . 4.080 2.161 1.938 2.610 . 0 0 "[ . 1 . 2]" 1
783 1 45 ARG QB 1 61 TYR QB . . 3.320 2.144 1.914 2.582 . 0 0 "[ . 1 . 2]" 1
784 1 45 ARG QB 1 61 TYR HB3 . . 4.080 3.584 2.963 4.085 0.005 11 0 "[ . 1 . 2]" 1
785 1 45 ARG QB 1 61 TYR QD . . 3.630 3.045 2.740 3.352 . 0 0 "[ . 1 . 2]" 1
786 1 45 ARG QB 1 61 TYR QE . . 5.280 4.946 4.580 5.283 0.003 20 0 "[ . 1 . 2]" 1
787 1 45 ARG HG2 1 46 LEU H . . 5.500 4.307 3.144 5.103 . 0 0 "[ . 1 . 2]" 1
788 1 45 ARG HG3 1 46 LEU H . . 5.500 4.708 3.143 5.460 . 0 0 "[ . 1 . 2]" 1
789 1 46 LEU H 1 46 LEU HB2 . . 4.080 2.585 2.435 2.735 . 0 0 "[ . 1 . 2]" 1
790 1 46 LEU H 1 46 LEU QB . . 3.400 2.540 2.401 2.679 . 0 0 "[ . 1 . 2]" 1
791 1 46 LEU H 1 46 LEU HB3 . . 4.080 3.729 3.634 3.831 . 0 0 "[ . 1 . 2]" 1
792 1 46 LEU H 1 46 LEU MD1 . . 4.670 4.134 3.746 4.327 . 0 0 "[ . 1 . 2]" 1
793 1 46 LEU H 1 46 LEU QD . . 4.070 3.293 2.454 3.767 . 0 0 "[ . 1 . 2]" 1
794 1 46 LEU H 1 46 LEU MD2 . . 4.670 3.579 2.475 4.251 . 0 0 "[ . 1 . 2]" 1
795 1 46 LEU H 1 46 LEU HG . . 4.480 3.738 3.116 4.506 0.026 14 0 "[ . 1 . 2]" 1
796 1 46 LEU HA 1 46 LEU MD1 . . 4.280 3.241 1.954 3.926 . 0 0 "[ . 1 . 2]" 1
797 1 46 LEU HA 1 46 LEU QD . . 3.020 2.057 1.920 2.348 . 0 0 "[ . 1 . 2]" 1
798 1 46 LEU HA 1 46 LEU MD2 . . 4.280 2.301 1.938 2.843 . 0 0 "[ . 1 . 2]" 1
799 1 46 LEU HA 1 47 PRO HD2 . . 3.310 1.945 1.916 1.958 . 0 0 "[ . 1 . 2]" 1
800 1 46 LEU HA 1 47 PRO HD3 . . 3.310 2.663 2.558 2.701 . 0 0 "[ . 1 . 2]" 1
801 1 46 LEU HA 1 60 GLY HA2 . . 4.700 3.510 3.150 3.812 . 0 0 "[ . 1 . 2]" 1
802 1 46 LEU HA 1 60 GLY QA . . 4.140 3.402 3.036 3.649 . 0 0 "[ . 1 . 2]" 1
803 1 46 LEU HA 1 60 GLY HA3 . . 4.700 4.581 3.975 4.716 0.016 14 0 "[ . 1 . 2]" 1
804 1 46 LEU HA 1 61 TYR H . . 4.660 3.823 3.424 4.039 . 0 0 "[ . 1 . 2]" 1
805 1 46 LEU QB 1 46 LEU QD . . 2.770 1.941 1.872 2.053 . 0 0 "[ . 1 . 2]" 1
806 1 46 LEU QD 1 47 PRO QD . . 3.760 3.028 2.811 3.388 . 0 0 "[ . 1 . 2]" 1
807 1 46 LEU QD 1 60 GLY QA . . 3.140 2.787 2.184 3.152 0.012 17 0 "[ . 1 . 2]" 1
808 1 46 LEU QD 1 61 TYR H . . 4.180 3.450 2.380 3.832 . 0 0 "[ . 1 . 2]" 1
809 1 47 PRO HA 1 48 ARG H . . 2.840 2.211 2.176 2.274 . 0 0 "[ . 1 . 2]" 1
810 1 47 PRO HA 1 57 LYS QE . . 5.280 4.838 4.010 5.298 0.018 14 0 "[ . 1 . 2]" 1
811 1 47 PRO QB 1 48 ARG H . . 3.670 3.045 2.842 3.171 . 0 0 "[ . 1 . 2]" 1
812 1 47 PRO QB 1 57 LYS QE . . 4.000 3.111 2.143 3.822 . 0 0 "[ . 1 . 2]" 1
813 1 47 PRO QB 1 57 LYS QG . . 4.180 2.810 1.986 3.945 . 0 0 "[ . 1 . 2]" 1
814 1 47 PRO QB 1 59 PHE QE . . 4.970 2.943 2.464 3.543 . 0 0 "[ . 1 . 2]" 1
815 1 47 PRO HB2 1 48 ARG H . . 4.370 3.209 2.965 3.362 . 0 0 "[ . 1 . 2]" 1
816 1 47 PRO HB3 1 48 ARG H . . 4.370 3.792 3.645 3.887 . 0 0 "[ . 1 . 2]" 1
817 1 47 PRO QD 1 59 PHE QD . . 4.630 3.655 3.262 4.140 . 0 0 "[ . 1 . 2]" 1
818 1 47 PRO QD 1 60 GLY QA . . 3.920 2.684 2.420 3.177 . 0 0 "[ . 1 . 2]" 1
819 1 47 PRO QD 1 61 TYR QE . . 4.210 3.495 3.094 3.888 . 0 0 "[ . 1 . 2]" 1
820 1 47 PRO HD2 1 61 TYR QD . . 4.400 3.550 2.966 3.861 . 0 0 "[ . 1 . 2]" 1
821 1 47 PRO HD2 1 61 TYR QE . . 4.860 4.151 3.554 4.620 . 0 0 "[ . 1 . 2]" 1
822 1 47 PRO HD3 1 61 TYR QD . . 4.400 2.792 2.492 3.226 . 0 0 "[ . 1 . 2]" 1
823 1 47 PRO HD3 1 61 TYR QE . . 4.860 3.786 3.402 4.442 . 0 0 "[ . 1 . 2]" 1
824 1 47 PRO QG 1 57 LYS QB . . 3.990 2.560 2.026 3.248 . 0 0 "[ . 1 . 2]" 1
825 1 47 PRO QG 1 59 PHE QD . . 4.300 2.329 1.943 2.833 . 0 0 "[ . 1 . 2]" 1
826 1 47 PRO HG2 1 59 PHE QE . . 4.330 3.092 2.349 3.767 . 0 0 "[ . 1 . 2]" 1
827 1 47 PRO HG2 1 61 TYR QE . . 4.130 3.581 3.112 4.094 . 0 0 "[ . 1 . 2]" 1
828 1 47 PRO HG3 1 59 PHE QE . . 4.330 2.793 2.158 3.427 . 0 0 "[ . 1 . 2]" 1
829 1 47 PRO HG3 1 61 TYR QE . . 4.130 2.337 1.998 3.380 . 0 0 "[ . 1 . 2]" 1
830 1 48 ARG H 1 48 ARG HB2 . . 3.940 2.673 2.537 2.822 . 0 0 "[ . 1 . 2]" 1
831 1 48 ARG H 1 48 ARG HB3 . . 3.940 3.780 3.699 3.867 . 0 0 "[ . 1 . 2]" 1
832 1 48 ARG H 1 48 ARG HG2 . . 4.260 3.738 2.391 4.267 0.007 18 0 "[ . 1 . 2]" 1
833 1 48 ARG H 1 48 ARG HG3 . . 4.260 3.152 2.791 3.705 . 0 0 "[ . 1 . 2]" 1
834 1 48 ARG H 1 49 GLU H . . 4.590 4.470 4.367 4.539 . 0 0 "[ . 1 . 2]" 1
835 1 48 ARG QB 1 48 ARG QD . . 3.290 2.148 2.041 2.256 . 0 0 "[ . 1 . 2]" 1
836 1 48 ARG QB 1 53 PRO QB . . 5.070 4.158 3.219 4.613 . 0 0 "[ . 1 . 2]" 1
837 1 48 ARG QB 1 56 LEU QD . . 4.330 3.724 3.100 4.335 0.005 1 0 "[ . 1 . 2]" 1
838 1 48 ARG HB2 1 49 GLU H . . 3.940 3.732 3.439 3.944 0.004 14 0 "[ . 1 . 2]" 1
839 1 48 ARG HB2 1 53 PRO HA . . 4.200 3.537 2.487 3.985 . 0 0 "[ . 1 . 2]" 1
840 1 48 ARG HB3 1 49 GLU H . . 3.940 2.652 2.315 2.961 . 0 0 "[ . 1 . 2]" 1
841 1 48 ARG HB3 1 53 PRO HA . . 4.200 3.044 2.204 3.487 . 0 0 "[ . 1 . 2]" 1
842 1 48 ARG QD 1 56 LEU QD . . 3.620 2.997 2.104 3.614 . 0 0 "[ . 1 . 2]" 1
843 1 48 ARG QG 1 56 LEU QD . . 4.010 2.359 1.865 3.900 . 0 0 "[ . 1 . 2]" 1
844 1 49 GLU H 1 49 GLU HB2 . . 3.100 2.303 2.177 2.526 . 0 0 "[ . 1 . 2]" 1
845 1 49 GLU H 1 49 GLU HG2 . . 4.020 3.392 2.394 4.023 0.003 17 0 "[ . 1 . 2]" 1
846 1 49 GLU H 1 49 GLU HG3 . . 4.020 3.026 2.110 3.870 . 0 0 "[ . 1 . 2]" 1
847 1 49 GLU H 1 53 PRO HA . . 5.400 4.565 3.898 5.163 . 0 0 "[ . 1 . 2]" 1
848 1 49 GLU H 1 57 LYS QB . . 5.340 4.330 3.484 5.243 . 0 0 "[ . 1 . 2]" 1
849 1 49 GLU H 1 57 LYS QG . . 5.340 3.523 2.512 5.243 . 0 0 "[ . 1 . 2]" 1
850 1 49 GLU HA 1 49 GLU HG2 . . 4.200 2.513 2.181 3.504 . 0 0 "[ . 1 . 2]" 1
851 1 49 GLU HA 1 49 GLU HG3 . . 4.200 3.119 2.213 3.756 . 0 0 "[ . 1 . 2]" 1
852 1 49 GLU HA 1 50 PRO QD . . 2.850 2.014 1.971 2.115 . 0 0 "[ . 1 . 2]" 1
853 1 49 GLU HA 1 57 LYS QE . . 3.940 2.879 1.905 3.686 . 0 0 "[ . 1 . 2]" 1
854 1 49 GLU HA 1 57 LYS QG . . 4.070 2.851 2.018 4.064 . 0 0 "[ . 1 . 2]" 1
855 1 49 GLU HB2 1 52 ASN H . . 4.100 2.850 2.465 3.284 . 0 0 "[ . 1 . 2]" 1
856 1 49 GLU HB2 1 52 ASN HB2 . . 4.950 3.318 2.220 4.449 . 0 0 "[ . 1 . 2]" 1
857 1 49 GLU HB2 1 52 ASN QB . . 4.190 2.782 2.209 3.405 . 0 0 "[ . 1 . 2]" 1
858 1 49 GLU HB2 1 52 ASN HB3 . . 4.950 3.513 2.434 4.433 . 0 0 "[ . 1 . 2]" 1
859 1 49 GLU HB2 1 55 ARG HB2 . . 4.290 3.782 2.764 4.225 . 0 0 "[ . 1 . 2]" 1
860 1 49 GLU HB2 1 55 ARG HB3 . . 4.290 4.034 2.631 4.313 0.023 13 0 "[ . 1 . 2]" 1
861 1 49 GLU HB3 1 50 PRO QD . . 4.150 2.480 2.013 2.732 . 0 0 "[ . 1 . 2]" 1
862 1 49 GLU HB3 1 52 ASN H . . 4.230 2.337 1.958 2.745 . 0 0 "[ . 1 . 2]" 1
863 1 49 GLU HB3 1 52 ASN HB2 . . 5.110 3.669 2.855 4.655 . 0 0 "[ . 1 . 2]" 1
864 1 49 GLU HB3 1 52 ASN QB . . 4.320 3.341 2.820 3.737 . 0 0 "[ . 1 . 2]" 1
865 1 49 GLU HB3 1 52 ASN HB3 . . 5.110 4.369 3.268 5.116 0.006 10 0 "[ . 1 . 2]" 1
866 1 49 GLU QG 1 52 ASN H . . 5.120 4.167 3.704 4.609 . 0 0 "[ . 1 . 2]" 1
867 1 49 GLU QG 1 55 ARG QB . . 4.420 3.536 2.356 4.272 . 0 0 "[ . 1 . 2]" 1
868 1 49 GLU QG 1 57 LYS HA . . 4.090 2.335 1.984 3.471 . 0 0 "[ . 1 . 2]" 1
869 1 50 PRO QD 1 52 ASN H . . 4.420 4.126 3.795 4.396 . 0 0 "[ . 1 . 2]" 1
870 1 50 PRO QD 1 57 LYS HE2 . . 4.040 3.087 2.256 4.028 . 0 0 "[ . 1 . 2]" 1
871 1 50 PRO QD 1 57 LYS QE . . 3.480 2.601 2.171 3.492 0.012 18 0 "[ . 1 . 2]" 1
872 1 50 PRO QD 1 57 LYS HE3 . . 4.040 3.205 2.194 4.038 . 0 0 "[ . 1 . 2]" 1
873 1 51 SER H 1 52 ASN H . . 4.530 2.279 1.853 2.743 . 0 0 "[ . 1 . 2]" 1
874 1 52 ASN H 1 52 ASN QB . . 3.630 2.388 2.263 2.661 . 0 0 "[ . 1 . 2]" 1
875 1 52 ASN H 1 53 PRO HD2 . . 4.830 4.613 4.477 4.791 . 0 0 "[ . 1 . 2]" 1
876 1 52 ASN H 1 53 PRO QD . . 4.170 3.911 3.710 4.189 0.019 12 0 "[ . 1 . 2]" 1
877 1 52 ASN H 1 53 PRO HD3 . . 4.830 4.230 3.960 4.624 . 0 0 "[ . 1 . 2]" 1
878 1 52 ASN HA 1 53 PRO HD2 . . 3.180 1.930 1.912 1.993 . 0 0 "[ . 1 . 2]" 1
879 1 52 ASN HA 1 53 PRO QD . . 2.780 1.863 1.851 1.882 . 0 0 "[ . 1 . 2]" 1
880 1 52 ASN HA 1 53 PRO HD3 . . 3.180 2.477 2.310 2.575 . 0 0 "[ . 1 . 2]" 1
881 1 52 ASN HA 1 53 PRO QG . . 4.120 3.777 3.766 3.787 . 0 0 "[ . 1 . 2]" 1
882 1 52 ASN HA 1 54 GLU H . . 4.510 3.572 3.260 4.108 . 0 0 "[ . 1 . 2]" 1
883 1 52 ASN QB 1 55 ARG QB . . 3.830 2.277 1.977 2.720 . 0 0 "[ . 1 . 2]" 1
884 1 52 ASN QB 1 55 ARG QG . . 4.280 3.616 2.783 4.167 . 0 0 "[ . 1 . 2]" 1
885 1 52 ASN QD 1 55 ARG QG . . 4.690 3.597 2.095 4.690 . 0 0 "[ . 1 . 2]" 1
886 1 53 PRO HA 1 55 ARG H . . 5.500 4.488 3.555 5.381 . 0 0 "[ . 1 . 2]" 1
887 1 53 PRO QB 1 54 GLU H . . 3.950 3.313 2.801 3.727 . 0 0 "[ . 1 . 2]" 1
888 1 53 PRO HB2 1 54 GLU H . . 4.670 3.472 2.874 3.974 . 0 0 "[ . 1 . 2]" 1
889 1 53 PRO HB3 1 54 GLU H . . 4.670 4.221 3.876 4.510 . 0 0 "[ . 1 . 2]" 1
890 1 53 PRO QD 1 54 GLU H . . 3.800 2.715 2.604 2.958 . 0 0 "[ . 1 . 2]" 1
891 1 53 PRO HD2 1 54 GLU H . . 4.590 2.771 2.649 3.040 . 0 0 "[ . 1 . 2]" 1
892 1 53 PRO HD3 1 54 GLU H . . 4.590 3.902 3.839 4.050 . 0 0 "[ . 1 . 2]" 1
893 1 53 PRO QG 1 54 GLU H . . 4.150 2.574 1.892 3.288 . 0 0 "[ . 1 . 2]" 1
894 1 54 GLU H 1 54 GLU HB2 . . 3.830 2.647 2.214 3.642 . 0 0 "[ . 1 . 2]" 1
895 1 54 GLU H 1 54 GLU QB . . 3.070 2.416 2.191 2.695 . 0 0 "[ . 1 . 2]" 1
896 1 54 GLU H 1 54 GLU HB3 . . 3.830 3.414 2.595 3.690 . 0 0 "[ . 1 . 2]" 1
897 1 54 GLU H 1 54 GLU HG2 . . 4.160 3.133 2.051 4.057 . 0 0 "[ . 1 . 2]" 1
898 1 54 GLU H 1 54 GLU HG3 . . 4.160 3.145 2.360 3.961 . 0 0 "[ . 1 . 2]" 1
899 1 54 GLU H 1 55 ARG H . . 3.180 2.634 2.158 3.093 . 0 0 "[ . 1 . 2]" 1
900 1 54 GLU HA 1 54 GLU HG2 . . 3.890 2.931 2.294 3.824 . 0 0 "[ . 1 . 2]" 1
901 1 54 GLU HA 1 54 GLU HG3 . . 3.890 3.282 2.263 3.786 . 0 0 "[ . 1 . 2]" 1
902 1 54 GLU HB2 1 55 ARG H . . 4.560 2.939 2.277 4.506 . 0 0 "[ . 1 . 2]" 1
903 1 54 GLU HB3 1 55 ARG H . . 4.560 3.604 2.749 4.587 0.027 8 0 "[ . 1 . 2]" 1
904 1 55 ARG H 1 55 ARG HB2 . . 3.760 2.314 2.171 2.974 . 0 0 "[ . 1 . 2]" 1
905 1 55 ARG H 1 55 ARG HB3 . . 3.760 3.481 2.968 3.739 . 0 0 "[ . 1 . 2]" 1
906 1 55 ARG H 1 55 ARG QD . . 5.010 4.061 2.266 5.013 0.003 15 0 "[ . 1 . 2]" 1
907 1 55 ARG H 1 55 ARG QG . . 4.470 3.208 2.394 4.196 . 0 0 "[ . 1 . 2]" 1
908 1 55 ARG H 1 56 LEU H . . 4.660 4.526 4.291 4.624 . 0 0 "[ . 1 . 2]" 1
909 1 55 ARG HA 1 55 ARG QD . . 4.300 3.215 2.157 4.114 . 0 0 "[ . 1 . 2]" 1
910 1 55 ARG HA 1 55 ARG QG . . 3.600 2.302 2.146 2.616 . 0 0 "[ . 1 . 2]" 1
911 1 55 ARG HA 1 56 LEU H . . 2.940 2.310 2.147 2.607 . 0 0 "[ . 1 . 2]" 1
912 1 55 ARG HA 1 56 LEU QD . . 4.750 3.623 2.566 4.722 . 0 0 "[ . 1 . 2]" 1
913 1 55 ARG QB 1 55 ARG QD . . 3.290 2.230 2.084 2.565 . 0 0 "[ . 1 . 2]" 1
914 1 55 ARG QD 1 56 LEU H . . 4.990 3.956 2.592 4.981 . 0 0 "[ . 1 . 2]" 1
915 1 55 ARG QG 1 56 LEU H . . 4.440 3.614 2.724 4.356 . 0 0 "[ . 1 . 2]" 1
916 1 56 LEU H 1 56 LEU HB2 . . 3.300 2.324 2.154 2.593 . 0 0 "[ . 1 . 2]" 1
917 1 56 LEU H 1 56 LEU HB3 . . 3.860 3.541 2.930 3.734 . 0 0 "[ . 1 . 2]" 1
918 1 56 LEU H 1 56 LEU MD1 . . 4.150 3.680 2.356 4.111 . 0 0 "[ . 1 . 2]" 1
919 1 56 LEU H 1 56 LEU QD . . 3.650 2.734 1.915 3.567 . 0 0 "[ . 1 . 2]" 1
920 1 56 LEU H 1 56 LEU MD2 . . 4.150 3.116 1.921 4.170 0.020 18 0 "[ . 1 . 2]" 1
921 1 56 LEU HA 1 56 LEU MD1 . . 4.120 2.827 1.935 3.964 . 0 0 "[ . 1 . 2]" 1
922 1 56 LEU HA 1 56 LEU QD . . 3.000 2.134 1.902 2.898 . 0 0 "[ . 1 . 2]" 1
923 1 56 LEU HA 1 56 LEU MD2 . . 4.120 2.592 1.963 3.822 . 0 0 "[ . 1 . 2]" 1
924 1 56 LEU HA 1 56 LEU HG . . 3.970 3.242 2.274 3.749 . 0 0 "[ . 1 . 2]" 1
925 1 56 LEU HA 1 57 LYS H . . 3.210 2.335 2.152 2.548 . 0 0 "[ . 1 . 2]" 1
926 1 56 LEU HB2 1 58 GLY H . . 4.730 4.481 3.809 4.736 0.006 6 0 "[ . 1 . 2]" 1
927 1 56 LEU HB3 1 56 LEU QD . . 3.140 2.186 1.982 2.369 . 0 0 "[ . 1 . 2]" 1
928 1 56 LEU HB3 1 57 LYS H . . 3.860 2.703 2.110 3.328 . 0 0 "[ . 1 . 2]" 1
929 1 56 LEU HB3 1 58 GLY H . . 3.820 3.236 2.867 3.552 . 0 0 "[ . 1 . 2]" 1
930 1 56 LEU QD 1 57 LYS H . . 4.060 2.971 2.364 3.446 . 0 0 "[ . 1 . 2]" 1
931 1 56 LEU QD 1 58 GLY H . . 5.040 4.094 3.096 4.539 . 0 0 "[ . 1 . 2]" 1
932 1 57 LYS H 1 57 LYS HB2 . . 3.650 2.385 2.180 2.678 . 0 0 "[ . 1 . 2]" 1
933 1 57 LYS H 1 57 LYS QB . . 3.120 2.290 2.159 2.612 . 0 0 "[ . 1 . 2]" 1
934 1 57 LYS H 1 57 LYS HB3 . . 3.650 3.260 2.381 3.629 . 0 0 "[ . 1 . 2]" 1
935 1 57 LYS H 1 57 LYS HG2 . . 4.670 3.708 1.893 4.623 . 0 0 "[ . 1 . 2]" 1
936 1 57 LYS H 1 57 LYS QG . . 4.090 3.030 1.879 3.989 . 0 0 "[ . 1 . 2]" 1
937 1 57 LYS H 1 57 LYS HG3 . . 4.670 3.329 2.230 4.435 . 0 0 "[ . 1 . 2]" 1
938 1 57 LYS H 1 58 GLY H . . 3.830 2.893 2.570 3.259 . 0 0 "[ . 1 . 2]" 1
939 1 57 LYS HA 1 57 LYS QD . . 4.540 3.664 2.325 4.154 . 0 0 "[ . 1 . 2]" 1
940 1 57 LYS HA 1 57 LYS HG2 . . 3.870 2.708 2.159 3.884 0.014 18 0 "[ . 1 . 2]" 1
941 1 57 LYS HA 1 57 LYS QG . . 3.140 2.324 2.123 2.913 . 0 0 "[ . 1 . 2]" 1
942 1 57 LYS HA 1 57 LYS HG3 . . 3.870 2.972 2.221 3.844 . 0 0 "[ . 1 . 2]" 1
943 1 57 LYS QB 1 57 LYS QE . . 4.260 3.154 2.165 3.669 . 0 0 "[ . 1 . 2]" 1
944 1 57 LYS QB 1 58 GLY H . . 4.260 2.272 2.013 2.551 . 0 0 "[ . 1 . 2]" 1
945 1 57 LYS QB 1 58 GLY QA . . 4.520 3.707 3.567 4.088 . 0 0 "[ . 1 . 2]" 1
946 1 57 LYS QB 1 59 PHE H . . 3.890 2.797 2.586 3.025 . 0 0 "[ . 1 . 2]" 1
947 1 57 LYS QB 1 59 PHE QE . . 4.580 3.017 2.533 3.748 . 0 0 "[ . 1 . 2]" 1
948 1 57 LYS HB2 1 59 PHE H . . 4.680 3.528 2.618 4.658 . 0 0 "[ . 1 . 2]" 1
949 1 57 LYS HB3 1 59 PHE H . . 4.680 3.204 2.679 4.052 . 0 0 "[ . 1 . 2]" 1
950 1 57 LYS QD 1 59 PHE QE . . 3.520 2.328 1.900 3.496 . 0 0 "[ . 1 . 2]" 1
951 1 57 LYS QD 1 59 PHE HZ . . 3.730 2.516 1.975 3.224 . 0 0 "[ . 1 . 2]" 1
952 1 57 LYS HD2 1 59 PHE HZ . . 4.460 3.513 2.492 4.457 . 0 0 "[ . 1 . 2]" 1
953 1 57 LYS HD3 1 59 PHE HZ . . 4.460 2.818 2.003 4.462 0.002 18 0 "[ . 1 . 2]" 1
954 1 57 LYS QE 1 57 LYS QG . . 3.200 2.228 2.090 2.609 . 0 0 "[ . 1 . 2]" 1
955 1 57 LYS QE 1 59 PHE QE . . 4.710 3.934 2.935 4.324 . 0 0 "[ . 1 . 2]" 1
956 1 57 LYS QG 1 58 GLY QA . . 5.180 4.719 3.352 5.296 0.116 6 0 "[ . 1 . 2]" 1
957 1 58 GLY H 1 59 PHE H . . 3.320 1.995 1.795 2.399 . 0 0 "[ . 1 . 2]" 1
958 1 58 GLY H 1 59 PHE QD . . 5.480 4.160 3.827 4.742 . 0 0 "[ . 1 . 2]" 1
959 1 59 PHE H 1 59 PHE QD . . 4.120 2.756 2.469 3.040 . 0 0 "[ . 1 . 2]" 1
960 1 59 PHE HA 1 59 PHE QD . . 4.210 3.661 3.574 3.690 . 0 0 "[ . 1 . 2]" 1
961 1 59 PHE HA 1 60 GLY H . . 3.480 2.285 2.192 2.364 . 0 0 "[ . 1 . 2]" 1
962 1 59 PHE QB 1 60 GLY H . . 3.470 2.743 2.521 3.019 . 0 0 "[ . 1 . 2]" 1
963 1 59 PHE HB2 1 60 GLY H . . 4.050 2.841 2.576 3.167 . 0 0 "[ . 1 . 2]" 1
964 1 59 PHE HB3 1 60 GLY H . . 4.050 3.631 3.510 3.808 . 0 0 "[ . 1 . 2]" 1
965 1 59 PHE QD 1 60 GLY H . . 4.540 4.248 3.952 4.540 0.000 3 0 "[ . 1 . 2]" 1
966 1 59 PHE QD 1 60 GLY QA . . 5.000 3.864 3.578 4.276 . 0 0 "[ . 1 . 2]" 1
967 1 59 PHE QE 1 61 TYR QE . . 3.950 3.042 2.342 3.603 . 0 0 "[ . 1 . 2]" 1
968 1 60 GLY QA 1 61 TYR QD . . 4.270 3.248 2.892 3.739 . 0 0 "[ . 1 . 2]" 1
969 1 60 GLY HA2 1 61 TYR H . . 3.480 2.215 2.214 2.218 . 0 0 "[ . 1 . 2]" 1
970 1 60 GLY HA3 1 61 TYR H . . 3.480 3.002 2.997 3.005 . 0 0 "[ . 1 . 2]" 1
971 1 61 TYR H 1 61 TYR HB2 . . 4.140 2.832 2.690 2.897 . 0 0 "[ . 1 . 2]" 1
972 1 61 TYR H 1 61 TYR QB . . 3.520 2.763 2.638 2.818 . 0 0 "[ . 1 . 2]" 1
973 1 61 TYR H 1 61 TYR HB3 . . 4.140 3.849 3.808 3.858 . 0 0 "[ . 1 . 2]" 1
974 1 61 TYR H 1 61 TYR QD . . 3.750 2.634 2.282 3.096 . 0 0 "[ . 1 . 2]" 1
975 1 61 TYR HA 1 61 TYR QD . . 3.770 3.057 2.737 3.239 . 0 0 "[ . 1 . 2]" 1
976 1 61 TYR HA 1 62 ALA H . . 3.070 2.245 2.202 2.315 . 0 0 "[ . 1 . 2]" 1
977 1 61 TYR HA 1 62 ALA MB . . 4.260 3.835 3.781 3.904 . 0 0 "[ . 1 . 2]" 1
978 1 61 TYR QB 1 62 ALA H . . 3.640 2.811 2.605 2.936 . 0 0 "[ . 1 . 2]" 1
979 1 61 TYR HB2 1 62 ALA H . . 4.270 3.775 3.541 3.912 . 0 0 "[ . 1 . 2]" 1
980 1 61 TYR HB3 1 62 ALA H . . 4.270 2.901 2.660 3.043 . 0 0 "[ . 1 . 2]" 1
981 1 61 TYR QD 1 62 ALA H . . 4.600 4.289 3.812 4.467 . 0 0 "[ . 1 . 2]" 1
982 1 61 TYR QD 1 91 ALA HA . . 5.500 5.275 5.057 5.499 . 0 0 "[ . 1 . 2]" 1
983 1 61 TYR QD 1 91 ALA MB . . 3.310 2.896 2.713 3.158 . 0 0 "[ . 1 . 2]" 1
984 1 61 TYR QE 1 91 ALA HA . . 5.500 5.008 4.213 5.452 . 0 0 "[ . 1 . 2]" 1
985 1 61 TYR QE 1 91 ALA MB . . 3.620 3.302 2.354 3.619 . 0 0 "[ . 1 . 2]" 1
986 1 62 ALA H 1 62 ALA MB . . 3.300 2.577 2.491 2.728 . 0 0 "[ . 1 . 2]" 1
987 1 62 ALA H 1 63 GLU H . . 4.380 4.361 4.273 4.385 0.005 14 0 "[ . 1 . 2]" 1
988 1 62 ALA HA 1 63 GLU H . . 2.990 2.216 2.202 2.225 . 0 0 "[ . 1 . 2]" 1
989 1 62 ALA HA 1 63 GLU QB . . 4.490 4.359 4.156 4.490 0.000 6 0 "[ . 1 . 2]" 1
990 1 62 ALA MB 1 63 GLU H . . 3.650 2.888 2.807 2.962 . 0 0 "[ . 1 . 2]" 1
991 1 62 ALA MB 1 64 PHE QD . . 4.330 4.061 3.891 4.196 . 0 0 "[ . 1 . 2]" 1
992 1 62 ALA MB 1 64 PHE QE . . 3.370 3.252 2.990 3.364 . 0 0 "[ . 1 . 2]" 1
993 1 62 ALA MB 1 64 PHE HZ . . 3.520 3.211 2.878 3.529 0.009 16 0 "[ . 1 . 2]" 1
994 1 63 GLU H 1 63 GLU QB . . 3.370 2.391 2.210 2.505 . 0 0 "[ . 1 . 2]" 1
995 1 63 GLU H 1 63 GLU HG2 . . 4.380 3.268 2.689 4.030 . 0 0 "[ . 1 . 2]" 1
996 1 63 GLU H 1 63 GLU QG . . 3.820 2.801 2.423 3.393 . 0 0 "[ . 1 . 2]" 1
997 1 63 GLU H 1 63 GLU HG3 . . 4.380 3.359 2.471 4.063 . 0 0 "[ . 1 . 2]" 1
998 1 63 GLU QB 1 64 PHE H . . 4.080 3.129 2.962 3.232 . 0 0 "[ . 1 . 2]" 1
999 1 63 GLU QG 1 64 PHE H . . 4.540 4.287 4.090 4.521 . 0 0 "[ . 1 . 2]" 1
1000 1 64 PHE H 1 64 PHE HB2 . . 3.740 2.537 2.469 2.603 . 0 0 "[ . 1 . 2]" 1
1001 1 64 PHE H 1 64 PHE HB3 . . 3.740 3.717 3.667 3.757 0.017 10 0 "[ . 1 . 2]" 1
1002 1 64 PHE H 1 64 PHE QD . . 3.670 3.620 3.467 3.690 0.020 16 0 "[ . 1 . 2]" 1
1003 1 64 PHE H 1 65 GLU H . . 4.560 4.497 4.470 4.518 . 0 0 "[ . 1 . 2]" 1
1004 1 64 PHE HA 1 64 PHE QD . . 3.900 2.135 2.053 2.274 . 0 0 "[ . 1 . 2]" 1
1005 1 64 PHE HA 1 65 GLU H . . 3.140 2.376 2.310 2.390 . 0 0 "[ . 1 . 2]" 1
1006 1 64 PHE HB2 1 65 GLU H . . 3.970 3.754 3.669 3.899 . 0 0 "[ . 1 . 2]" 1
1007 1 64 PHE HB2 1 66 ASP H . . 5.030 4.840 4.600 5.032 0.002 9 0 "[ . 1 . 2]" 1
1008 1 64 PHE HB2 1 70 LEU H . . 4.780 4.349 3.884 4.650 . 0 0 "[ . 1 . 2]" 1
1009 1 64 PHE HB2 1 70 LEU QD . . 4.580 3.293 2.036 4.139 . 0 0 "[ . 1 . 2]" 1
1010 1 64 PHE HB3 1 65 GLU H . . 3.830 2.500 2.465 2.674 . 0 0 "[ . 1 . 2]" 1
1011 1 64 PHE HB3 1 66 ASP H . . 4.170 3.366 3.096 3.598 . 0 0 "[ . 1 . 2]" 1
1012 1 64 PHE HB3 1 69 SER HB2 . . 4.190 2.419 1.998 4.154 . 0 0 "[ . 1 . 2]" 1
1013 1 64 PHE HB3 1 69 SER HB3 . . 4.190 3.004 2.483 4.158 . 0 0 "[ . 1 . 2]" 1
1014 1 64 PHE QD 1 65 GLU H . . 4.430 3.447 3.226 3.638 . 0 0 "[ . 1 . 2]" 1
1015 1 64 PHE QD 1 69 SER HB2 . . 4.260 3.487 2.966 4.030 . 0 0 "[ . 1 . 2]" 1
1016 1 64 PHE QD 1 69 SER QB . . 3.600 2.816 2.445 3.422 . 0 0 "[ . 1 . 2]" 1
1017 1 64 PHE QD 1 69 SER HB3 . . 4.260 3.073 2.511 4.259 . 0 0 "[ . 1 . 2]" 1
1018 1 64 PHE QD 1 70 LEU H . . 4.270 4.139 3.749 4.303 0.033 16 0 "[ . 1 . 2]" 1
1019 1 64 PHE QD 1 70 LEU HA . . 4.300 3.021 2.342 3.509 . 0 0 "[ . 1 . 2]" 1
1020 1 64 PHE QD 1 70 LEU QD . . 3.400 2.174 1.825 3.162 . 0 0 "[ . 1 . 2]" 1
1021 1 64 PHE QE 1 70 LEU QD . . 4.030 2.958 2.308 3.377 . 0 0 "[ . 1 . 2]" 1
1022 1 64 PHE QE 1 73 ALA MB . . 3.370 2.570 2.413 2.869 . 0 0 "[ . 1 . 2]" 1
1023 1 64 PHE HZ 1 73 ALA MB . . 3.270 3.194 2.948 3.292 0.022 16 0 "[ . 1 . 2]" 1
1024 1 65 GLU H 1 65 GLU HB2 . . 3.980 2.409 2.278 2.681 . 0 0 "[ . 1 . 2]" 1
1025 1 65 GLU H 1 65 GLU QB . . 3.250 2.375 2.251 2.628 . 0 0 "[ . 1 . 2]" 1
1026 1 65 GLU H 1 65 GLU HB3 . . 3.980 3.606 3.515 3.778 . 0 0 "[ . 1 . 2]" 1
1027 1 65 GLU H 1 65 GLU QG . . 3.800 3.193 2.818 3.369 . 0 0 "[ . 1 . 2]" 1
1028 1 65 GLU H 1 66 ASP H . . 3.600 2.117 1.908 2.394 . 0 0 "[ . 1 . 2]" 1
1029 1 65 GLU HA 1 65 GLU QG . . 3.670 2.367 2.129 2.989 . 0 0 "[ . 1 . 2]" 1
1030 1 65 GLU QB 1 66 ASP H . . 4.250 2.565 2.377 2.740 . 0 0 "[ . 1 . 2]" 1
1031 1 66 ASP H 1 69 SER QB . . 4.560 3.466 3.102 3.859 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ASP QB 1 67 LEU H . . 3.510 3.217 2.622 3.514 0.004 19 0 "[ . 1 . 2]" 1
1033 1 66 ASP QB 1 67 LEU HA . . 5.120 4.728 4.474 5.087 . 0 0 "[ . 1 . 2]" 1
1034 1 66 ASP QB 1 68 ASP H . . 4.130 3.161 2.678 3.942 . 0 0 "[ . 1 . 2]" 1
1035 1 66 ASP QB 1 69 SER H . . 4.560 2.741 2.481 3.335 . 0 0 "[ . 1 . 2]" 1
1036 1 66 ASP HB2 1 67 LEU H . . 4.200 3.978 2.808 4.191 . 0 0 "[ . 1 . 2]" 1
1037 1 66 ASP HB3 1 67 LEU H . . 4.200 3.480 2.667 4.176 . 0 0 "[ . 1 . 2]" 1
1038 1 67 LEU H 1 67 LEU HB2 . . 3.660 2.437 2.251 2.623 . 0 0 "[ . 1 . 2]" 1
1039 1 67 LEU H 1 67 LEU QB . . 3.030 2.397 2.227 2.562 . 0 0 "[ . 1 . 2]" 1
1040 1 67 LEU H 1 67 LEU HB3 . . 3.660 3.573 3.533 3.593 . 0 0 "[ . 1 . 2]" 1
1041 1 67 LEU H 1 67 LEU MD1 . . 4.610 2.162 1.807 3.604 . 0 0 "[ . 1 . 2]" 1
1042 1 67 LEU H 1 67 LEU QD . . 3.910 2.123 1.804 3.311 . 0 0 "[ . 1 . 2]" 1
1043 1 67 LEU H 1 67 LEU MD2 . . 4.610 3.971 3.847 4.145 . 0 0 "[ . 1 . 2]" 1
1044 1 67 LEU H 1 68 ASP H . . 3.530 2.602 2.550 2.663 . 0 0 "[ . 1 . 2]" 1
1045 1 67 LEU HA 1 67 LEU QD . . 4.030 2.938 2.040 3.156 . 0 0 "[ . 1 . 2]" 1
1046 1 67 LEU HA 1 67 LEU HG . . 3.840 2.507 2.309 2.773 . 0 0 "[ . 1 . 2]" 1
1047 1 67 LEU HA 1 69 SER H . . 4.410 3.980 3.775 4.263 . 0 0 "[ . 1 . 2]" 1
1048 1 67 LEU QB 1 68 ASP H . . 3.570 2.640 2.517 2.732 . 0 0 "[ . 1 . 2]" 1
1049 1 67 LEU HB2 1 68 ASP H . . 4.210 2.709 2.564 2.821 . 0 0 "[ . 1 . 2]" 1
1050 1 67 LEU HB3 1 68 ASP H . . 4.210 3.672 3.413 3.856 . 0 0 "[ . 1 . 2]" 1
1051 1 67 LEU MD1 1 68 ASP H . . 5.500 3.751 3.238 4.531 . 0 0 "[ . 1 . 2]" 1
1052 1 67 LEU MD2 1 68 ASP H . . 5.500 4.837 4.713 4.937 . 0 0 "[ . 1 . 2]" 1
1053 1 68 ASP H 1 68 ASP QB . . 3.100 2.306 2.157 2.714 . 0 0 "[ . 1 . 2]" 1
1054 1 68 ASP HA 1 71 LEU H . . 3.920 3.423 3.265 3.552 . 0 0 "[ . 1 . 2]" 1
1055 1 68 ASP HA 1 71 LEU HB2 . . 3.870 3.269 2.960 3.638 . 0 0 "[ . 1 . 2]" 1
1056 1 68 ASP HA 1 71 LEU HB3 . . 3.550 2.828 2.655 3.080 . 0 0 "[ . 1 . 2]" 1
1057 1 68 ASP HA 1 71 LEU QD . . 3.340 3.253 3.093 3.354 0.014 16 0 "[ . 1 . 2]" 1
1058 1 68 ASP HA 1 71 LEU HG . . 5.430 5.312 5.125 5.440 0.010 9 0 "[ . 1 . 2]" 1
1059 1 68 ASP HA 1 72 SER H . . 4.470 3.824 3.436 4.286 . 0 0 "[ . 1 . 2]" 1
1060 1 68 ASP QB 1 69 SER H . . 3.360 2.833 2.567 3.358 . 0 0 "[ . 1 . 2]" 1
1061 1 68 ASP QB 1 71 LEU QD . . 4.630 4.347 3.914 4.577 . 0 0 "[ . 1 . 2]" 1
1062 1 69 SER H 1 69 SER HB2 . . 3.920 2.655 2.222 3.591 . 0 0 "[ . 1 . 2]" 1
1063 1 69 SER H 1 69 SER QB . . 3.160 2.441 2.199 2.575 . 0 0 "[ . 1 . 2]" 1
1064 1 69 SER H 1 69 SER HB3 . . 3.920 3.414 2.351 3.595 . 0 0 "[ . 1 . 2]" 1
1065 1 69 SER H 1 70 LEU H . . 3.430 2.729 2.663 2.801 . 0 0 "[ . 1 . 2]" 1
1066 1 69 SER HA 1 72 SER H . . 4.280 3.763 3.616 3.902 . 0 0 "[ . 1 . 2]" 1
1067 1 69 SER HA 1 72 SER QB . . 3.730 2.982 2.717 3.291 . 0 0 "[ . 1 . 2]" 1
1068 1 69 SER QB 1 70 LEU H . . 3.550 2.612 2.395 3.319 . 0 0 "[ . 1 . 2]" 1
1069 1 69 SER HB2 1 70 LEU H . . 4.300 2.714 2.437 3.704 . 0 0 "[ . 1 . 2]" 1
1070 1 69 SER HB3 1 70 LEU H . . 4.300 3.590 3.295 3.815 . 0 0 "[ . 1 . 2]" 1
1071 1 70 LEU H 1 70 LEU HB2 . . 3.500 2.247 2.157 2.361 . 0 0 "[ . 1 . 2]" 1
1072 1 70 LEU H 1 70 LEU HB3 . . 3.500 2.869 2.672 3.482 . 0 0 "[ . 1 . 2]" 1
1073 1 70 LEU H 1 70 LEU MD1 . . 4.410 4.021 3.689 4.331 . 0 0 "[ . 1 . 2]" 1
1074 1 70 LEU H 1 70 LEU QD . . 3.830 3.456 2.184 3.745 . 0 0 "[ . 1 . 2]" 1
1075 1 70 LEU H 1 70 LEU MD2 . . 4.410 3.898 2.195 4.246 . 0 0 "[ . 1 . 2]" 1
1076 1 70 LEU H 1 70 LEU HG . . 4.830 4.383 2.962 4.569 . 0 0 "[ . 1 . 2]" 1
1077 1 70 LEU H 1 71 LEU H . . 3.420 2.644 2.592 2.724 . 0 0 "[ . 1 . 2]" 1
1078 1 70 LEU H 1 71 LEU HB2 . . 4.850 4.800 4.704 4.883 0.033 16 0 "[ . 1 . 2]" 1
1079 1 70 LEU HA 1 70 LEU MD1 . . 3.950 2.529 1.972 3.826 . 0 0 "[ . 1 . 2]" 1
1080 1 70 LEU HA 1 70 LEU QD . . 2.740 1.997 1.890 2.281 . 0 0 "[ . 1 . 2]" 1
1081 1 70 LEU HA 1 70 LEU MD2 . . 3.950 2.889 1.917 3.865 . 0 0 "[ . 1 . 2]" 1
1082 1 70 LEU HA 1 70 LEU HG . . 4.120 3.134 2.669 3.693 . 0 0 "[ . 1 . 2]" 1
1083 1 70 LEU HA 1 72 SER H . . 5.500 4.602 4.477 4.743 . 0 0 "[ . 1 . 2]" 1
1084 1 70 LEU HA 1 73 ALA H . . 3.940 3.469 3.307 3.631 . 0 0 "[ . 1 . 2]" 1
1085 1 70 LEU HA 1 73 ALA MB . . 3.270 2.563 2.282 2.788 . 0 0 "[ . 1 . 2]" 1
1086 1 70 LEU QB 1 70 LEU QD . . 2.740 1.966 1.890 2.081 . 0 0 "[ . 1 . 2]" 1
1087 1 70 LEU QB 1 71 LEU H . . 3.540 2.503 2.359 2.678 . 0 0 "[ . 1 . 2]" 1
1088 1 70 LEU HB2 1 70 LEU MD1 . . 3.620 2.656 2.315 3.194 . 0 0 "[ . 1 . 2]" 1
1089 1 70 LEU HB2 1 70 LEU MD2 . . 3.620 2.518 2.265 3.177 . 0 0 "[ . 1 . 2]" 1
1090 1 70 LEU HB3 1 70 LEU MD1 . . 3.620 2.691 2.119 3.191 . 0 0 "[ . 1 . 2]" 1
1091 1 70 LEU HB3 1 70 LEU MD2 . . 3.620 2.656 2.155 3.188 . 0 0 "[ . 1 . 2]" 1
1092 1 70 LEU QD 1 90 VAL HA . . 3.770 3.264 2.854 3.597 . 0 0 "[ . 1 . 2]" 1
1093 1 70 LEU MD1 1 71 LEU H . . 4.720 4.330 3.717 4.713 . 0 0 "[ . 1 . 2]" 1
1094 1 70 LEU MD2 1 71 LEU H . . 4.720 4.346 3.633 4.738 0.018 9 0 "[ . 1 . 2]" 1
1095 1 71 LEU H 1 71 LEU HB2 . . 3.460 2.331 2.258 2.404 . 0 0 "[ . 1 . 2]" 1
1096 1 71 LEU H 1 71 LEU HB3 . . 3.270 2.698 2.623 2.779 . 0 0 "[ . 1 . 2]" 1
1097 1 71 LEU H 1 71 LEU MD1 . . 4.310 4.069 3.900 4.193 . 0 0 "[ . 1 . 2]" 1
1098 1 71 LEU H 1 71 LEU MD2 . . 4.310 4.222 4.171 4.283 . 0 0 "[ . 1 . 2]" 1
1099 1 71 LEU H 1 72 SER H . . 3.360 2.745 2.641 2.839 . 0 0 "[ . 1 . 2]" 1
1100 1 71 LEU H 1 73 ALA H . . 4.430 3.955 3.838 4.075 . 0 0 "[ . 1 . 2]" 1
1101 1 71 LEU HA 1 71 LEU QD . . 3.130 2.499 2.112 2.904 . 0 0 "[ . 1 . 2]" 1
1102 1 71 LEU HA 1 71 LEU HG . . 3.850 2.631 2.386 2.889 . 0 0 "[ . 1 . 2]" 1
1103 1 71 LEU HB2 1 71 LEU MD1 . . 3.220 2.291 2.209 2.374 . 0 0 "[ . 1 . 2]" 1
1104 1 71 LEU HB2 1 71 LEU QD . . 2.710 2.206 2.139 2.313 . 0 0 "[ . 1 . 2]" 1
1105 1 71 LEU HB2 1 71 LEU MD2 . . 3.220 2.970 2.563 3.190 . 0 0 "[ . 1 . 2]" 1
1106 1 71 LEU HB2 1 72 SER H . . 3.740 3.654 3.607 3.718 . 0 0 "[ . 1 . 2]" 1
1107 1 71 LEU HB3 1 71 LEU MD1 . . 3.520 2.634 2.254 3.174 . 0 0 "[ . 1 . 2]" 1
1108 1 71 LEU HB3 1 71 LEU QD . . 2.900 2.050 2.037 2.088 . 0 0 "[ . 1 . 2]" 1
1109 1 71 LEU HB3 1 71 LEU MD2 . . 3.520 2.202 2.070 2.339 . 0 0 "[ . 1 . 2]" 1
1110 1 71 LEU HB3 1 72 SER H . . 3.410 2.420 2.394 2.508 . 0 0 "[ . 1 . 2]" 1
1111 1 71 LEU HB3 1 72 SER HA . . 4.150 4.064 4.004 4.150 . 0 0 "[ . 1 . 2]" 1
1112 1 71 LEU QD 1 72 SER H . . 3.780 3.400 3.037 3.799 0.019 16 0 "[ . 1 . 2]" 1
1113 1 71 LEU QD 1 72 SER HA . . 5.000 3.403 2.790 4.341 . 0 0 "[ . 1 . 2]" 1
1114 1 71 LEU MD1 1 72 SER H . . 4.640 4.500 4.331 4.660 0.020 16 0 "[ . 1 . 2]" 1
1115 1 71 LEU MD2 1 72 SER H . . 4.640 3.532 3.095 4.025 . 0 0 "[ . 1 . 2]" 1
1116 1 71 LEU HG 1 72 SER H . . 4.920 4.541 3.910 4.927 0.007 3 0 "[ . 1 . 2]" 1
1117 1 72 SER H 1 72 SER HB2 . . 3.610 2.409 2.213 2.713 . 0 0 "[ . 1 . 2]" 1
1118 1 72 SER H 1 72 SER QB . . 2.920 2.293 2.152 2.502 . 0 0 "[ . 1 . 2]" 1
1119 1 72 SER H 1 72 SER HB3 . . 3.610 3.157 2.373 3.597 . 0 0 "[ . 1 . 2]" 1
1120 1 73 ALA H 1 73 ALA MB . . 2.830 2.198 2.166 2.230 . 0 0 "[ . 1 . 2]" 1
1121 1 73 ALA H 1 74 LEU H . . 3.590 2.689 2.671 2.695 . 0 0 "[ . 1 . 2]" 1
1122 1 73 ALA H 1 74 LEU HG . . 4.610 4.352 4.105 4.518 . 0 0 "[ . 1 . 2]" 1
1123 1 73 ALA H 1 76 LEU H . . 5.500 5.260 5.116 5.385 . 0 0 "[ . 1 . 2]" 1
1124 1 73 ALA H 1 76 LEU MD1 . . 4.500 4.377 4.143 4.519 0.019 17 0 "[ . 1 . 2]" 1
1125 1 73 ALA HA 1 76 LEU H . . 4.070 3.568 3.447 3.686 . 0 0 "[ . 1 . 2]" 1
1126 1 73 ALA HA 1 76 LEU HB2 . . 4.480 3.576 3.298 3.752 . 0 0 "[ . 1 . 2]" 1
1127 1 73 ALA HA 1 76 LEU MD1 . . 3.280 2.040 1.965 2.224 . 0 0 "[ . 1 . 2]" 1
1128 1 73 ALA HA 1 76 LEU MD2 . . 4.660 4.298 3.998 4.529 . 0 0 "[ . 1 . 2]" 1
1129 1 73 ALA HA 1 76 LEU HG . . 4.170 2.964 2.669 3.258 . 0 0 "[ . 1 . 2]" 1
1130 1 73 ALA HA 1 88 VAL MG1 . . 4.360 3.746 3.356 4.172 . 0 0 "[ . 1 . 2]" 1
1131 1 73 ALA HA 1 88 VAL MG2 . . 4.480 3.700 3.434 3.993 . 0 0 "[ . 1 . 2]" 1
1132 1 73 ALA MB 1 74 LEU H . . 3.120 2.585 2.563 2.619 . 0 0 "[ . 1 . 2]" 1
1133 1 73 ALA MB 1 74 LEU HG . . 3.980 3.330 3.244 3.435 . 0 0 "[ . 1 . 2]" 1
1134 1 73 ALA MB 1 75 SER H . . 4.480 4.349 4.273 4.467 . 0 0 "[ . 1 . 2]" 1
1135 1 73 ALA MB 1 76 LEU H . . 4.600 4.422 4.370 4.488 . 0 0 "[ . 1 . 2]" 1
1136 1 74 LEU H 1 74 LEU HB2 . . 3.730 2.502 2.416 2.608 . 0 0 "[ . 1 . 2]" 1
1137 1 74 LEU H 1 74 LEU QB . . 2.990 2.456 2.379 2.549 . 0 0 "[ . 1 . 2]" 1
1138 1 74 LEU H 1 74 LEU HB3 . . 3.730 3.583 3.576 3.586 . 0 0 "[ . 1 . 2]" 1
1139 1 74 LEU H 1 74 LEU MD2 . . 3.790 3.496 3.176 3.701 . 0 0 "[ . 1 . 2]" 1
1140 1 74 LEU H 1 74 LEU HG . . 3.060 2.209 2.026 2.367 . 0 0 "[ . 1 . 2]" 1
1141 1 74 LEU H 1 75 SER H . . 3.370 2.644 2.618 2.668 . 0 0 "[ . 1 . 2]" 1
1142 1 74 LEU H 1 75 SER QB . . 4.840 4.511 4.382 4.803 . 0 0 "[ . 1 . 2]" 1
1143 1 74 LEU HA 1 74 LEU MD2 . . 2.850 2.209 2.016 2.458 . 0 0 "[ . 1 . 2]" 1
1144 1 74 LEU HA 1 76 LEU H . . 4.390 3.666 3.556 3.808 . 0 0 "[ . 1 . 2]" 1
1145 1 74 LEU HA 1 77 ASN H . . 4.380 4.018 3.811 4.186 . 0 0 "[ . 1 . 2]" 1
1146 1 74 LEU HA 1 88 VAL HB . . 3.840 2.027 1.997 2.131 . 0 0 "[ . 1 . 2]" 1
1147 1 74 LEU HA 1 88 VAL MG1 . . 3.130 2.148 1.906 2.404 . 0 0 "[ . 1 . 2]" 1
1148 1 74 LEU HA 1 88 VAL MG2 . . 4.750 3.371 3.191 3.518 . 0 0 "[ . 1 . 2]" 1
1149 1 74 LEU QB 1 74 LEU MD2 . . 3.070 2.211 2.069 2.287 . 0 0 "[ . 1 . 2]" 1
1150 1 74 LEU QB 1 75 SER H . . 3.430 2.820 2.658 2.901 . 0 0 "[ . 1 . 2]" 1
1151 1 74 LEU QB 1 88 VAL MG1 . . 5.090 3.708 3.450 3.875 . 0 0 "[ . 1 . 2]" 1
1152 1 74 LEU HB2 1 74 LEU MD1 . . 3.260 2.172 2.020 2.341 . 0 0 "[ . 1 . 2]" 1
1153 1 74 LEU HB2 1 75 SER H . . 4.110 2.896 2.715 2.981 . 0 0 "[ . 1 . 2]" 1
1154 1 74 LEU HB3 1 74 LEU MD1 . . 3.260 2.496 2.365 2.632 . 0 0 "[ . 1 . 2]" 1
1155 1 74 LEU HB3 1 75 SER H . . 4.110 3.881 3.789 4.000 . 0 0 "[ . 1 . 2]" 1
1156 1 74 LEU MD2 1 88 VAL HB . . 4.450 3.103 2.808 3.381 . 0 0 "[ . 1 . 2]" 1
1157 1 74 LEU MD2 1 89 ASP H . . 4.120 3.859 3.589 4.114 . 0 0 "[ . 1 . 2]" 1
1158 1 74 LEU MD2 1 89 ASP HA . . 3.010 2.608 2.295 2.833 . 0 0 "[ . 1 . 2]" 1
1159 1 74 LEU MD2 1 90 VAL H . . 3.530 3.389 2.960 3.531 0.001 2 0 "[ . 1 . 2]" 1
1160 1 74 LEU MD2 1 90 VAL HA . . 4.110 3.911 3.622 4.110 . 14 0 "[ . 1 . 2]" 1
1161 1 75 SER H 1 75 SER HB2 . . 3.610 2.495 2.236 3.548 . 0 0 "[ . 1 . 2]" 1
1162 1 75 SER H 1 75 SER QB . . 3.030 2.305 2.164 2.532 . 0 0 "[ . 1 . 2]" 1
1163 1 75 SER H 1 75 SER HB3 . . 3.610 2.972 2.278 3.599 . 0 0 "[ . 1 . 2]" 1
1164 1 75 SER H 1 76 LEU H . . 3.280 2.555 2.526 2.654 . 0 0 "[ . 1 . 2]" 1
1165 1 75 SER QB 1 76 LEU H . . 4.430 3.112 3.011 3.656 . 0 0 "[ . 1 . 2]" 1
1166 1 76 LEU H 1 76 LEU HB2 . . 3.350 2.590 2.481 2.706 . 0 0 "[ . 1 . 2]" 1
1167 1 76 LEU H 1 76 LEU HB3 . . 3.800 3.654 3.629 3.689 . 0 0 "[ . 1 . 2]" 1
1168 1 76 LEU H 1 76 LEU MD1 . . 4.020 3.530 3.456 3.614 . 0 0 "[ . 1 . 2]" 1
1169 1 76 LEU H 1 76 LEU MD2 . . 4.010 3.556 3.343 3.776 . 0 0 "[ . 1 . 2]" 1
1170 1 76 LEU H 1 76 LEU HG . . 3.520 2.331 2.131 2.520 . 0 0 "[ . 1 . 2]" 1
1171 1 76 LEU H 1 77 ASN H . . 3.360 2.633 2.546 2.726 . 0 0 "[ . 1 . 2]" 1
1172 1 76 LEU H 1 79 GLU H . . 5.500 5.128 5.070 5.227 . 0 0 "[ . 1 . 2]" 1
1173 1 76 LEU HA 1 76 LEU MD1 . . 4.160 3.954 3.916 3.993 . 0 0 "[ . 1 . 2]" 1
1174 1 76 LEU HA 1 76 LEU MD2 . . 2.870 2.387 2.107 2.552 . 0 0 "[ . 1 . 2]" 1
1175 1 76 LEU HA 1 76 LEU HG . . 3.990 3.111 2.981 3.247 . 0 0 "[ . 1 . 2]" 1
1176 1 76 LEU HA 1 77 ASN QD . . 5.120 4.480 4.114 5.034 . 0 0 "[ . 1 . 2]" 1
1177 1 76 LEU HA 1 78 GLU H . . 4.000 3.307 3.165 3.555 . 0 0 "[ . 1 . 2]" 1
1178 1 76 LEU HA 1 79 GLU H . . 3.830 2.662 2.609 2.741 . 0 0 "[ . 1 . 2]" 1
1179 1 76 LEU HA 1 79 GLU QB . . 4.160 2.155 1.985 2.341 . 0 0 "[ . 1 . 2]" 1
1180 1 76 LEU HA 1 79 GLU HG2 . . 3.840 2.441 2.008 3.020 . 0 0 "[ . 1 . 2]" 1
1181 1 76 LEU HA 1 79 GLU QG . . 3.350 2.138 1.954 2.395 . 0 0 "[ . 1 . 2]" 1
1182 1 76 LEU HA 1 79 GLU HG3 . . 3.840 2.590 2.017 3.188 . 0 0 "[ . 1 . 2]" 1
1183 1 76 LEU HB2 1 76 LEU MD1 . . 3.220 2.177 2.056 2.297 . 0 0 "[ . 1 . 2]" 1
1184 1 76 LEU HB2 1 76 LEU MD2 . . 3.530 3.168 3.153 3.192 . 0 0 "[ . 1 . 2]" 1
1185 1 76 LEU HB3 1 76 LEU MD1 . . 3.260 2.473 2.351 2.580 . 0 0 "[ . 1 . 2]" 1
1186 1 76 LEU HB3 1 76 LEU MD2 . . 3.210 2.181 2.104 2.347 . 0 0 "[ . 1 . 2]" 1
1187 1 76 LEU HB3 1 79 GLU QB . . 4.400 2.380 2.194 2.693 . 0 0 "[ . 1 . 2]" 1
1188 1 76 LEU HB3 1 79 GLU QG . . 4.990 3.270 2.889 3.765 . 0 0 "[ . 1 . 2]" 1
1189 1 76 LEU HB3 1 86 ILE MD . . 4.720 4.092 3.720 4.572 . 0 0 "[ . 1 . 2]" 1
1190 1 76 LEU HB3 1 88 VAL MG2 . . 4.050 3.480 3.136 3.757 . 0 0 "[ . 1 . 2]" 1
1191 1 76 LEU MD2 1 77 ASN H . . 5.500 4.796 4.642 4.878 . 0 0 "[ . 1 . 2]" 1
1192 1 76 LEU MD2 1 79 GLU HB2 . . 4.530 2.633 2.117 3.024 . 0 0 "[ . 1 . 2]" 1
1193 1 76 LEU MD2 1 79 GLU HB3 . . 4.530 2.956 2.494 3.393 . 0 0 "[ . 1 . 2]" 1
1194 1 76 LEU MD2 1 79 GLU HG2 . . 3.610 2.934 2.160 3.365 . 0 0 "[ . 1 . 2]" 1
1195 1 76 LEU MD2 1 79 GLU QG . . 2.980 1.830 1.724 2.017 . 0 0 "[ . 1 . 2]" 1
1196 1 76 LEU MD2 1 79 GLU HG3 . . 3.610 1.858 1.774 2.057 . 0 0 "[ . 1 . 2]" 1
1197 1 77 ASN H 1 77 ASN HB2 . . 3.710 3.545 3.518 3.585 . 0 0 "[ . 1 . 2]" 1
1198 1 77 ASN H 1 77 ASN QB . . 2.990 2.254 2.199 2.359 . 0 0 "[ . 1 . 2]" 1
1199 1 77 ASN H 1 77 ASN HB3 . . 3.710 2.280 2.222 2.392 . 0 0 "[ . 1 . 2]" 1
1200 1 77 ASN H 1 78 GLU H . . 4.630 2.581 2.525 2.630 . 0 0 "[ . 1 . 2]" 1
1201 1 77 ASN H 1 88 VAL HB . . 4.420 3.648 3.391 3.910 . 0 0 "[ . 1 . 2]" 1
1202 1 77 ASN H 1 88 VAL MG2 . . 4.260 3.219 3.018 3.431 . 0 0 "[ . 1 . 2]" 1
1203 1 77 ASN HA 1 78 GLU HA . . 4.820 4.541 4.524 4.565 . 0 0 "[ . 1 . 2]" 1
1204 1 77 ASN HA 1 88 VAL H . . 3.760 1.912 1.891 1.981 . 0 0 "[ . 1 . 2]" 1
1205 1 77 ASN HA 1 88 VAL HB . . 3.810 3.264 3.001 3.467 . 0 0 "[ . 1 . 2]" 1
1206 1 77 ASN HA 1 88 VAL MG2 . . 3.240 2.469 2.116 2.832 . 0 0 "[ . 1 . 2]" 1
1207 1 77 ASN QB 1 77 ASN QD . . 3.080 2.274 2.115 2.419 . 0 0 "[ . 1 . 2]" 1
1208 1 77 ASN QB 1 78 GLU H . . 4.480 3.585 3.434 3.667 . 0 0 "[ . 1 . 2]" 1
1209 1 77 ASN QB 1 88 VAL H . . 3.880 2.106 1.857 2.637 . 0 0 "[ . 1 . 2]" 1
1210 1 77 ASN QB 1 88 VAL HB . . 3.500 2.882 2.419 3.273 . 0 0 "[ . 1 . 2]" 1
1211 1 77 ASN QB 1 88 VAL MG2 . . 4.210 3.386 3.113 3.747 . 0 0 "[ . 1 . 2]" 1
1212 1 77 ASN HB2 1 88 VAL H . . 4.700 2.174 1.901 2.744 . 0 0 "[ . 1 . 2]" 1
1213 1 77 ASN HB2 1 88 VAL HB . . 4.180 3.778 3.471 4.072 . 0 0 "[ . 1 . 2]" 1
1214 1 77 ASN HB3 1 88 VAL H . . 4.700 2.839 2.587 3.413 . 0 0 "[ . 1 . 2]" 1
1215 1 77 ASN HB3 1 88 VAL HB . . 4.180 2.993 2.464 3.449 . 0 0 "[ . 1 . 2]" 1
1216 1 77 ASN QD 1 78 GLU QB . . 5.040 3.134 2.635 3.550 . 0 0 "[ . 1 . 2]" 1
1217 1 77 ASN QD 1 78 GLU QG . . 3.680 2.726 2.077 3.278 . 0 0 "[ . 1 . 2]" 1
1218 1 78 GLU H 1 78 GLU HG2 . . 4.420 2.744 2.080 4.094 . 0 0 "[ . 1 . 2]" 1
1219 1 78 GLU H 1 78 GLU QG . . 3.860 2.486 2.063 3.395 . 0 0 "[ . 1 . 2]" 1
1220 1 78 GLU H 1 78 GLU HG3 . . 4.420 3.296 2.728 4.400 . 0 0 "[ . 1 . 2]" 1
1221 1 78 GLU H 1 79 GLU H . . 3.480 1.920 1.851 2.024 . 0 0 "[ . 1 . 2]" 1
1222 1 78 GLU H 1 87 ARG HA . . 4.940 4.849 4.767 4.942 0.002 2 0 "[ . 1 . 2]" 1
1223 1 78 GLU H 1 88 VAL MG2 . . 5.290 4.673 4.327 4.899 . 0 0 "[ . 1 . 2]" 1
1224 1 78 GLU HA 1 78 GLU HG2 . . 4.230 3.343 2.218 3.930 . 0 0 "[ . 1 . 2]" 1
1225 1 78 GLU HA 1 78 GLU QG . . 3.520 3.029 2.172 3.339 . 0 0 "[ . 1 . 2]" 1
1226 1 78 GLU HA 1 78 GLU HG3 . . 4.230 3.592 2.982 3.831 . 0 0 "[ . 1 . 2]" 1
1227 1 78 GLU HA 1 85 ARG HA . . 5.500 5.418 5.209 5.509 0.009 12 0 "[ . 1 . 2]" 1
1228 1 78 GLU HA 1 85 ARG QB . . 3.520 3.303 3.115 3.526 0.006 13 0 "[ . 1 . 2]" 1
1229 1 78 GLU HA 1 85 ARG QD . . 4.440 3.545 2.847 4.046 . 0 0 "[ . 1 . 2]" 1
1230 1 78 GLU HA 1 86 ILE H . . 5.030 4.807 4.560 5.009 . 0 0 "[ . 1 . 2]" 1
1231 1 78 GLU HA 1 87 ARG HA . . 4.680 4.644 4.510 4.691 0.011 17 0 "[ . 1 . 2]" 1
1232 1 78 GLU HA 1 87 ARG QB . . 5.500 5.304 5.106 5.500 0.000 7 0 "[ . 1 . 2]" 1
1233 1 78 GLU QB 1 85 ARG QB . . 4.900 4.438 4.232 4.685 . 0 0 "[ . 1 . 2]" 1
1234 1 78 GLU QB 1 85 ARG QD . . 4.140 3.843 3.426 4.146 0.006 16 0 "[ . 1 . 2]" 1
1235 1 79 GLU H 1 79 GLU QB . . 2.950 2.298 2.178 2.418 . 0 0 "[ . 1 . 2]" 1
1236 1 79 GLU H 1 79 GLU HG2 . . 4.180 2.623 2.317 2.947 . 0 0 "[ . 1 . 2]" 1
1237 1 79 GLU H 1 79 GLU QG . . 3.360 2.571 2.285 2.826 . 0 0 "[ . 1 . 2]" 1
1238 1 79 GLU H 1 79 GLU HG3 . . 4.180 3.756 3.428 4.086 . 0 0 "[ . 1 . 2]" 1
1239 1 79 GLU H 1 80 SER H . . 4.600 4.503 4.419 4.577 . 0 0 "[ . 1 . 2]" 1
1240 1 79 GLU H 1 86 ILE H . . 5.330 5.235 4.914 5.336 0.006 9 0 "[ . 1 . 2]" 1
1241 1 79 GLU H 1 86 ILE MD . . 5.090 4.804 4.535 5.045 . 0 0 "[ . 1 . 2]" 1
1242 1 79 GLU H 1 88 VAL MG2 . . 5.410 5.109 4.797 5.306 . 0 0 "[ . 1 . 2]" 1
1243 1 79 GLU HA 1 79 GLU QG . . 3.690 2.658 2.350 2.940 . 0 0 "[ . 1 . 2]" 1
1244 1 79 GLU HA 1 80 SER H . . 3.010 2.146 2.138 2.170 . 0 0 "[ . 1 . 2]" 1
1245 1 79 GLU QB 1 80 SER H . . 3.570 3.328 3.155 3.494 . 0 0 "[ . 1 . 2]" 1
1246 1 79 GLU QG 1 80 SER H . . 4.670 4.422 4.195 4.611 . 0 0 "[ . 1 . 2]" 1
1247 1 80 SER H 1 80 SER QB . . 3.130 2.553 2.456 2.659 . 0 0 "[ . 1 . 2]" 1
1248 1 80 SER H 1 81 LEU H . . 4.600 4.414 4.367 4.493 . 0 0 "[ . 1 . 2]" 1
1249 1 80 SER HA 1 81 LEU H . . 2.900 2.144 2.138 2.149 . 0 0 "[ . 1 . 2]" 1
1250 1 80 SER HA 1 84 LYS H . . 5.380 5.114 4.828 5.328 . 0 0 "[ . 1 . 2]" 1
1251 1 80 SER HA 1 85 ARG HA . . 3.440 2.069 1.991 2.321 . 0 0 "[ . 1 . 2]" 1
1252 1 80 SER HA 1 85 ARG QB . . 4.460 2.906 2.200 3.464 . 0 0 "[ . 1 . 2]" 1
1253 1 80 SER HA 1 85 ARG HG2 . . 4.950 2.963 1.997 4.507 . 0 0 "[ . 1 . 2]" 1
1254 1 80 SER HA 1 85 ARG QG . . 4.150 2.839 1.979 4.155 0.005 16 0 "[ . 1 . 2]" 1
1255 1 80 SER HA 1 85 ARG HG3 . . 4.950 3.976 3.210 4.965 0.015 14 0 "[ . 1 . 2]" 1
1256 1 80 SER HA 1 86 ILE H . . 3.890 3.703 3.534 3.882 . 0 0 "[ . 1 . 2]" 1
1257 1 80 SER HA 1 86 ILE MG . . 5.500 5.223 5.003 5.493 . 0 0 "[ . 1 . 2]" 1
1258 1 80 SER QB 1 81 LEU H . . 3.720 3.436 3.267 3.519 . 0 0 "[ . 1 . 2]" 1
1259 1 80 SER QB 1 85 ARG HA . . 4.080 3.670 3.497 3.887 . 0 0 "[ . 1 . 2]" 1
1260 1 81 LEU H 1 81 LEU HB2 . . 3.840 3.000 2.879 3.138 . 0 0 "[ . 1 . 2]" 1
1261 1 81 LEU H 1 81 LEU HB3 . . 3.690 2.329 2.211 2.415 . 0 0 "[ . 1 . 2]" 1
1262 1 81 LEU H 1 81 LEU MD2 . . 4.490 4.188 4.093 4.242 . 0 0 "[ . 1 . 2]" 1
1263 1 81 LEU H 1 81 LEU HG . . 5.190 4.254 4.128 4.339 . 0 0 "[ . 1 . 2]" 1
1264 1 81 LEU H 1 84 LYS H . . 4.200 4.010 3.807 4.228 0.028 16 0 "[ . 1 . 2]" 1
1265 1 81 LEU H 1 85 ARG HA . . 3.580 2.296 1.995 2.520 . 0 0 "[ . 1 . 2]" 1
1266 1 81 LEU H 1 86 ILE H . . 4.120 3.447 3.251 3.612 . 0 0 "[ . 1 . 2]" 1
1267 1 81 LEU H 1 86 ILE MD . . 4.750 2.560 2.455 2.633 . 0 0 "[ . 1 . 2]" 1
1268 1 81 LEU H 1 86 ILE HG13 . . 5.500 5.440 5.311 5.520 0.020 16 0 "[ . 1 . 2]" 1
1269 1 81 LEU H 1 86 ILE MG . . 4.330 4.041 3.800 4.274 . 0 0 "[ . 1 . 2]" 1
1270 1 81 LEU HA 1 81 LEU MD1 . . 3.240 2.361 2.149 2.549 . 0 0 "[ . 1 . 2]" 1
1271 1 81 LEU HA 1 81 LEU MD2 . . 4.160 3.984 3.926 4.027 . 0 0 "[ . 1 . 2]" 1
1272 1 81 LEU HA 1 81 LEU HG . . 3.910 3.192 3.063 3.478 . 0 0 "[ . 1 . 2]" 1
1273 1 81 LEU HA 1 82 GLY H . . 3.000 2.149 2.144 2.168 . 0 0 "[ . 1 . 2]" 1
1274 1 81 LEU HA 1 82 GLY QA . . 4.420 3.909 3.897 3.935 . 0 0 "[ . 1 . 2]" 1
1275 1 81 LEU HB2 1 81 LEU MD1 . . 3.250 2.219 2.076 2.455 . 0 0 "[ . 1 . 2]" 1
1276 1 81 LEU HB2 1 82 GLY H . . 4.700 4.192 4.063 4.294 . 0 0 "[ . 1 . 2]" 1
1277 1 81 LEU HB2 1 85 ARG HA . . 5.500 4.796 4.362 5.033 . 0 0 "[ . 1 . 2]" 1
1278 1 81 LEU HB2 1 86 ILE MD . . 3.030 1.945 1.816 2.113 . 0 0 "[ . 1 . 2]" 1
1279 1 81 LEU HB2 1 86 ILE HG13 . . 4.310 4.136 4.010 4.252 . 0 0 "[ . 1 . 2]" 1
1280 1 81 LEU HB2 1 86 ILE MG . . 4.070 3.895 3.653 4.073 0.003 8 0 "[ . 1 . 2]" 1
1281 1 81 LEU HB3 1 81 LEU MD1 . . 3.480 3.165 3.145 3.189 . 0 0 "[ . 1 . 2]" 1
1282 1 81 LEU HB3 1 81 LEU MD2 . . 3.250 2.229 2.160 2.296 . 0 0 "[ . 1 . 2]" 1
1283 1 81 LEU HB3 1 84 LYS H . . 4.710 4.474 4.115 4.716 0.006 12 0 "[ . 1 . 2]" 1
1284 1 81 LEU HB3 1 86 ILE HB . . 5.500 5.354 5.198 5.507 0.007 4 0 "[ . 1 . 2]" 1
1285 1 81 LEU HB3 1 86 ILE MD . . 3.440 1.874 1.807 2.060 . 0 0 "[ . 1 . 2]" 1
1286 1 81 LEU HB3 1 86 ILE HG13 . . 4.400 4.164 3.952 4.294 . 0 0 "[ . 1 . 2]" 1
1287 1 81 LEU HB3 1 86 ILE MG . . 3.800 2.934 2.693 3.170 . 0 0 "[ . 1 . 2]" 1
1288 1 81 LEU MD1 1 82 GLY H . . 3.910 2.857 2.406 3.176 . 0 0 "[ . 1 . 2]" 1
1289 1 81 LEU MD1 1 82 GLY QA . . 4.870 3.579 3.052 3.835 . 0 0 "[ . 1 . 2]" 1
1290 1 81 LEU MD1 1 86 ILE MD . . 4.030 3.331 3.183 3.638 . 0 0 "[ . 1 . 2]" 1
1291 1 81 LEU MD2 1 84 LYS QB . . 4.940 4.755 4.232 4.895 . 0 0 "[ . 1 . 2]" 1
1292 1 81 LEU MD2 1 86 ILE MD . . 3.160 2.221 1.898 2.548 . 0 0 "[ . 1 . 2]" 1
1293 1 81 LEU MD2 1 86 ILE HG13 . . 3.720 3.362 3.182 3.639 . 0 0 "[ . 1 . 2]" 1
1294 1 81 LEU MD2 1 86 ILE MG . . 3.390 2.414 2.197 2.722 . 0 0 "[ . 1 . 2]" 1
1295 1 81 LEU HG 1 82 GLY H . . 4.490 3.357 2.929 3.920 . 0 0 "[ . 1 . 2]" 1
1296 1 82 GLY QA 1 84 LYS H . . 4.010 3.584 3.526 3.864 . 0 0 "[ . 1 . 2]" 1
1297 1 83 ASN H 1 84 LYS H . . 3.910 1.828 1.767 1.996 . 0 0 "[ . 1 . 2]" 1
1298 1 84 LYS H 1 84 LYS HB2 . . 3.990 2.689 2.523 2.869 . 0 0 "[ . 1 . 2]" 1
1299 1 84 LYS H 1 84 LYS QB . . 3.190 2.637 2.484 2.798 . 0 0 "[ . 1 . 2]" 1
1300 1 84 LYS H 1 84 LYS HB3 . . 3.990 3.801 3.709 3.883 . 0 0 "[ . 1 . 2]" 1
1301 1 84 LYS H 1 84 LYS HG2 . . 4.460 3.785 3.454 3.971 . 0 0 "[ . 1 . 2]" 1
1302 1 84 LYS H 1 84 LYS QG . . 3.670 3.167 2.900 3.473 . 0 0 "[ . 1 . 2]" 1
1303 1 84 LYS H 1 84 LYS HG3 . . 4.460 3.418 3.116 4.380 . 0 0 "[ . 1 . 2]" 1
1304 1 84 LYS HA 1 84 LYS QD . . 3.760 3.587 2.460 3.667 . 0 0 "[ . 1 . 2]" 1
1305 1 84 LYS HA 1 84 LYS QE . . 4.690 4.555 4.026 4.732 0.042 14 0 "[ . 1 . 2]" 1
1306 1 84 LYS HA 1 84 LYS HG2 . . 4.200 2.361 2.277 2.556 . 0 0 "[ . 1 . 2]" 1
1307 1 84 LYS HA 1 84 LYS QG . . 3.660 2.320 2.240 2.503 . 0 0 "[ . 1 . 2]" 1
1308 1 84 LYS HA 1 84 LYS HG3 . . 4.200 3.404 3.309 3.655 . 0 0 "[ . 1 . 2]" 1
1309 1 84 LYS HA 1 85 ARG H . . 2.800 2.359 2.234 2.500 . 0 0 "[ . 1 . 2]" 1
1310 1 84 LYS QB 1 84 LYS QD . . 3.240 2.131 2.056 2.318 . 0 0 "[ . 1 . 2]" 1
1311 1 84 LYS QB 1 84 LYS QE . . 3.600 2.286 2.134 2.504 . 0 0 "[ . 1 . 2]" 1
1312 1 84 LYS QB 1 85 ARG H . . 3.570 2.517 2.193 2.838 . 0 0 "[ . 1 . 2]" 1
1313 1 84 LYS QB 1 86 ILE MD . . 5.170 4.535 4.150 4.715 . 0 0 "[ . 1 . 2]" 1
1314 1 84 LYS QE 1 84 LYS HG2 . . 3.750 3.350 3.248 3.494 . 0 0 "[ . 1 . 2]" 1
1315 1 84 LYS QE 1 84 LYS QG . . 3.260 2.332 2.078 2.614 . 0 0 "[ . 1 . 2]" 1
1316 1 84 LYS QE 1 84 LYS HG3 . . 3.750 2.382 2.102 2.700 . 0 0 "[ . 1 . 2]" 1
1317 1 85 ARG H 1 85 ARG QB . . 3.000 2.634 2.456 2.870 . 0 0 "[ . 1 . 2]" 1
1318 1 85 ARG H 1 85 ARG QD . . 4.570 4.068 3.670 4.562 . 0 0 "[ . 1 . 2]" 1
1319 1 85 ARG H 1 85 ARG HG2 . . 3.900 3.110 1.900 3.859 . 0 0 "[ . 1 . 2]" 1
1320 1 85 ARG H 1 85 ARG QG . . 3.170 2.304 1.878 2.695 . 0 0 "[ . 1 . 2]" 1
1321 1 85 ARG H 1 85 ARG HG3 . . 3.900 2.605 2.162 3.083 . 0 0 "[ . 1 . 2]" 1
1322 1 85 ARG HA 1 85 ARG QD . . 5.020 4.151 3.859 4.472 . 0 0 "[ . 1 . 2]" 1
1323 1 85 ARG HA 1 85 ARG HG2 . . 4.020 3.041 2.496 3.824 . 0 0 "[ . 1 . 2]" 1
1324 1 85 ARG HA 1 85 ARG QG . . 3.440 2.799 2.425 3.344 . 0 0 "[ . 1 . 2]" 1
1325 1 85 ARG HA 1 85 ARG HG3 . . 4.020 3.352 3.017 3.783 . 0 0 "[ . 1 . 2]" 1
1326 1 85 ARG HA 1 86 ILE H . . 3.250 2.212 2.180 2.219 . 0 0 "[ . 1 . 2]" 1
1327 1 85 ARG HA 1 86 ILE HG12 . . 5.500 4.699 4.505 4.911 . 0 0 "[ . 1 . 2]" 1
1328 1 85 ARG QB 1 85 ARG QD . . 3.230 2.170 2.057 2.337 . 0 0 "[ . 1 . 2]" 1
1329 1 85 ARG QB 1 86 ILE H . . 4.000 2.901 2.876 3.026 . 0 0 "[ . 1 . 2]" 1
1330 1 86 ILE H 1 86 ILE HB . . 3.810 3.748 3.685 3.788 . 0 0 "[ . 1 . 2]" 1
1331 1 86 ILE H 1 86 ILE MD . . 4.160 1.859 1.782 1.980 . 0 0 "[ . 1 . 2]" 1
1332 1 86 ILE H 1 86 ILE HG12 . . 4.270 2.603 2.428 2.816 . 0 0 "[ . 1 . 2]" 1
1333 1 86 ILE H 1 86 ILE HG13 . . 3.980 3.742 3.620 3.809 . 0 0 "[ . 1 . 2]" 1
1334 1 86 ILE H 1 86 ILE MG . . 3.520 2.918 2.835 3.000 . 0 0 "[ . 1 . 2]" 1
1335 1 86 ILE H 1 87 ARG H . . 4.590 4.499 4.466 4.531 . 0 0 "[ . 1 . 2]" 1
1336 1 86 ILE HA 1 86 ILE MD . . 3.570 3.467 3.395 3.541 . 0 0 "[ . 1 . 2]" 1
1337 1 86 ILE HA 1 86 ILE HG12 . . 4.150 3.635 3.601 3.661 . 0 0 "[ . 1 . 2]" 1
1338 1 86 ILE HA 1 86 ILE MG . . 3.440 2.326 2.274 2.384 . 0 0 "[ . 1 . 2]" 1
1339 1 86 ILE HA 1 87 ARG H . . 3.100 2.319 2.253 2.408 . 0 0 "[ . 1 . 2]" 1
1340 1 86 ILE HA 1 87 ARG QB . . 4.210 4.008 3.975 4.029 . 0 0 "[ . 1 . 2]" 1
1341 1 86 ILE HB 1 86 ILE MD . . 3.380 3.196 3.183 3.207 . 0 0 "[ . 1 . 2]" 1
1342 1 86 ILE HB 1 87 ARG H . . 3.650 2.594 2.369 2.785 . 0 0 "[ . 1 . 2]" 1
1343 1 86 ILE MD 1 86 ILE MG . . 2.900 1.889 1.847 1.930 . 0 0 "[ . 1 . 2]" 1
1344 1 86 ILE MD 1 87 ARG H . . 4.810 4.737 4.652 4.823 0.013 10 0 "[ . 1 . 2]" 1
1345 1 86 ILE HG12 1 87 ARG H . . 4.310 3.987 3.736 4.208 . 0 0 "[ . 1 . 2]" 1
1346 1 86 ILE HG13 1 87 ARG H . . 5.280 4.650 4.293 4.904 . 0 0 "[ . 1 . 2]" 1
1347 1 86 ILE MG 1 87 ARG H . . 3.940 3.670 3.552 3.770 . 0 0 "[ . 1 . 2]" 1
1348 1 86 ILE MG 1 87 ARG HA . . 5.500 5.505 5.476 5.531 0.031 8 0 "[ . 1 . 2]" 1
1349 1 87 ARG H 1 87 ARG QB . . 3.310 2.378 2.272 2.466 . 0 0 "[ . 1 . 2]" 1
1350 1 87 ARG H 1 87 ARG QG . . 4.340 3.983 3.872 4.077 . 0 0 "[ . 1 . 2]" 1
1351 1 87 ARG H 1 88 VAL MG2 . . 4.800 4.552 4.446 4.711 . 0 0 "[ . 1 . 2]" 1
1352 1 87 ARG HA 1 87 ARG HD2 . . 4.820 4.075 2.500 4.740 . 0 0 "[ . 1 . 2]" 1
1353 1 87 ARG HA 1 87 ARG QD . . 3.990 3.528 2.444 4.012 0.022 7 0 "[ . 1 . 2]" 1
1354 1 87 ARG HA 1 87 ARG HD3 . . 4.820 4.089 2.469 4.820 0.000 4 0 "[ . 1 . 2]" 1
1355 1 87 ARG HA 1 88 VAL H . . 3.080 2.206 2.185 2.225 . 0 0 "[ . 1 . 2]" 1
1356 1 87 ARG QB 1 87 ARG HD2 . . 3.380 2.828 2.119 3.384 0.004 12 0 "[ . 1 . 2]" 1
1357 1 87 ARG QB 1 87 ARG HD3 . . 3.380 2.350 2.065 3.229 . 0 0 "[ . 1 . 2]" 1
1358 1 87 ARG QB 1 88 VAL H . . 3.880 3.609 3.567 3.653 . 0 0 "[ . 1 . 2]" 1
1359 1 87 ARG QG 1 88 VAL H . . 4.360 2.348 2.174 2.477 . 0 0 "[ . 1 . 2]" 1
1360 1 88 VAL H 1 88 VAL HB . . 3.830 2.610 2.532 2.681 . 0 0 "[ . 1 . 2]" 1
1361 1 88 VAL H 1 88 VAL MG2 . . 3.590 2.726 2.628 2.787 . 0 0 "[ . 1 . 2]" 1
1362 1 88 VAL HA 1 88 VAL MG1 . . 3.090 2.361 2.247 2.458 . 0 0 "[ . 1 . 2]" 1
1363 1 88 VAL HA 1 88 VAL MG2 . . 3.280 2.310 2.250 2.346 . 0 0 "[ . 1 . 2]" 1
1364 1 88 VAL HA 1 89 ASP H . . 3.170 2.159 2.146 2.181 . 0 0 "[ . 1 . 2]" 1
1365 1 88 VAL MG1 1 89 ASP H . . 3.480 2.402 2.142 2.686 . 0 0 "[ . 1 . 2]" 1
1366 1 89 ASP H 1 89 ASP HB2 . . 4.060 3.198 3.103 3.373 . 0 0 "[ . 1 . 2]" 1
1367 1 89 ASP H 1 89 ASP QB . . 3.560 2.696 2.638 2.720 . 0 0 "[ . 1 . 2]" 1
1368 1 89 ASP H 1 89 ASP HB3 . . 4.060 2.909 2.804 2.998 . 0 0 "[ . 1 . 2]" 1
1369 1 89 ASP HA 1 90 VAL H . . 3.100 2.393 2.339 2.431 . 0 0 "[ . 1 . 2]" 1
1370 1 89 ASP HA 1 90 VAL MG2 . . 4.260 3.734 3.503 3.967 . 0 0 "[ . 1 . 2]" 1
1371 1 89 ASP QB 1 90 VAL H . . 3.420 3.257 3.184 3.368 . 0 0 "[ . 1 . 2]" 1
1372 1 89 ASP HB2 1 90 VAL H . . 4.020 3.879 3.704 3.978 . 0 0 "[ . 1 . 2]" 1
1373 1 89 ASP HB3 1 90 VAL H . . 4.020 3.504 3.388 3.677 . 0 0 "[ . 1 . 2]" 1
1374 1 90 VAL H 1 90 VAL HB . . 3.180 2.423 2.330 2.502 . 0 0 "[ . 1 . 2]" 1
1375 1 90 VAL H 1 90 VAL MG1 . . 3.970 3.745 3.705 3.773 . 0 0 "[ . 1 . 2]" 1
1376 1 90 VAL H 1 90 VAL MG2 . . 3.090 2.449 2.214 2.661 . 0 0 "[ . 1 . 2]" 1
1377 1 90 VAL H 1 91 ALA H . . 4.660 4.480 4.446 4.543 . 0 0 "[ . 1 . 2]" 1
1378 1 90 VAL HA 1 90 VAL MG1 . . 3.190 2.415 2.345 2.504 . 0 0 "[ . 1 . 2]" 1
1379 1 90 VAL HA 1 90 VAL MG2 . . 3.220 2.290 2.133 2.416 . 0 0 "[ . 1 . 2]" 1
1380 1 90 VAL HA 1 91 ALA H . . 2.910 2.143 2.140 2.156 . 0 0 "[ . 1 . 2]" 1
1381 1 90 VAL HA 1 91 ALA MB . . 4.170 3.958 3.900 4.009 . 0 0 "[ . 1 . 2]" 1
1382 1 90 VAL HB 1 91 ALA H . . 4.400 4.316 4.226 4.399 . 0 0 "[ . 1 . 2]" 1
1383 1 90 VAL MG1 1 91 ALA H . . 3.440 2.657 2.379 2.881 . 0 0 "[ . 1 . 2]" 1
1384 1 90 VAL MG2 1 91 ALA H . . 4.180 3.992 3.863 4.108 . 0 0 "[ . 1 . 2]" 1
1385 1 91 ALA H 1 91 ALA MB . . 2.970 2.217 2.083 2.325 . 0 0 "[ . 1 . 2]" 1
1386 1 91 ALA H 1 92 ASP H . . 4.610 4.438 3.248 4.607 . 0 0 "[ . 1 . 2]" 1
1387 1 91 ALA MB 1 92 ASP H . . 3.920 2.803 2.293 3.693 . 0 0 "[ . 1 . 2]" 1
1388 1 91 ALA MB 1 92 ASP HA . . 5.140 4.149 3.832 4.571 . 0 0 "[ . 1 . 2]" 1
1389 1 92 ASP H 1 92 ASP HB2 . . 4.190 3.259 2.455 3.947 . 0 0 "[ . 1 . 2]" 1
1390 1 92 ASP H 1 92 ASP HB3 . . 4.190 2.997 2.358 3.710 . 0 0 "[ . 1 . 2]" 1
1391 1 92 ASP QB 1 93 GLN H . . 4.070 3.230 2.147 3.955 . 0 0 "[ . 1 . 2]" 1
1392 1 93 GLN H 1 93 GLN QG . . 4.030 3.395 1.906 4.030 . 0 0 "[ . 1 . 2]" 1
1393 1 93 GLN HA 1 93 GLN QG . . 3.600 2.769 2.270 3.464 . 0 0 "[ . 1 . 2]" 1
1394 1 93 GLN HB2 1 94 ALA H . . 4.720 3.784 2.143 4.649 . 0 0 "[ . 1 . 2]" 1
1395 1 93 GLN HB3 1 94 ALA H . . 4.720 3.629 2.162 4.464 . 0 0 "[ . 1 . 2]" 1
1396 1 93 GLN QG 1 94 ALA H . . 4.860 3.392 1.879 4.493 . 0 0 "[ . 1 . 2]" 1
1397 1 94 ALA H 1 94 ALA MB . . 3.500 2.359 2.066 2.808 . 0 0 "[ . 1 . 2]" 1
1398 1 94 ALA HA 1 95 GLN H . . 3.460 2.298 2.142 3.474 0.014 7 0 "[ . 1 . 2]" 1
1399 1 94 ALA MB 1 95 GLN H . . 4.230 2.971 2.265 3.469 . 0 0 "[ . 1 . 2]" 1
1400 1 95 GLN H 1 95 GLN QB . . 3.620 2.607 2.211 3.210 . 0 0 "[ . 1 . 2]" 1
1401 1 95 GLN H 1 95 GLN QG . . 4.350 3.236 1.911 4.184 . 0 0 "[ . 1 . 2]" 1
1402 1 95 GLN HA 1 95 GLN QG . . 3.630 2.856 2.300 3.475 . 0 0 "[ . 1 . 2]" 1
1403 1 97 LYS H 1 98 ASP H . . 4.540 4.268 2.639 4.644 0.104 13 0 "[ . 1 . 2]" 1
1404 1 97 LYS HA 1 97 LYS QD . . 4.150 3.579 1.998 4.254 0.104 13 0 "[ . 1 . 2]" 1
1405 1 97 LYS HA 1 97 LYS QG . . 3.590 2.580 2.196 3.339 . 0 0 "[ . 1 . 2]" 1
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