NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402932 |
1wi5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wi5
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 1383
_Distance_constraint_stats_list.Viol_count 359
_Distance_constraint_stats_list.Viol_total 56.597
_Distance_constraint_stats_list.Viol_max 0.087
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0079
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ASN 0.089 0.087 19 0 "[ . 1 . 2]"
1 10 VAL 0.002 0.002 18 0 "[ . 1 . 2]"
1 11 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.001 0.001 6 0 "[ . 1 . 2]"
1 13 VAL 0.011 0.009 17 0 "[ . 1 . 2]"
1 14 LEU 0.034 0.015 11 0 "[ . 1 . 2]"
1 15 SER 0.005 0.005 10 0 "[ . 1 . 2]"
1 16 ALA 0.004 0.003 17 0 "[ . 1 . 2]"
1 17 GLU 0.013 0.007 17 0 "[ . 1 . 2]"
1 18 ALA 0.013 0.007 17 0 "[ . 1 . 2]"
1 19 LEU 0.001 0.001 9 0 "[ . 1 . 2]"
1 20 LYS 0.002 0.001 12 0 "[ . 1 . 2]"
1 21 PRO 0.003 0.003 3 0 "[ . 1 . 2]"
1 22 GLY 0.004 0.002 12 0 "[ . 1 . 2]"
1 23 MET 0.006 0.002 14 0 "[ . 1 . 2]"
1 24 LEU 0.007 0.001 6 0 "[ . 1 . 2]"
1 25 LEU 0.006 0.001 6 0 "[ . 1 . 2]"
1 26 THR 0.005 0.003 9 0 "[ . 1 . 2]"
1 27 GLY 0.004 0.002 9 0 "[ . 1 . 2]"
1 28 THR 0.019 0.005 5 0 "[ . 1 . 2]"
1 29 VAL 0.050 0.011 11 0 "[ . 1 . 2]"
1 30 SER 0.019 0.006 3 0 "[ . 1 . 2]"
1 31 SER 0.103 0.047 11 0 "[ . 1 . 2]"
1 32 LEU 0.088 0.047 11 0 "[ . 1 . 2]"
1 33 GLU 0.019 0.010 9 0 "[ . 1 . 2]"
1 34 ASP 0.001 0.001 6 0 "[ . 1 . 2]"
1 35 HIS 0.007 0.007 10 0 "[ . 1 . 2]"
1 36 GLY 0.022 0.007 16 0 "[ . 1 . 2]"
1 37 TYR 0.038 0.008 10 0 "[ . 1 . 2]"
1 38 LEU 0.017 0.003 12 0 "[ . 1 . 2]"
1 39 VAL 0.075 0.009 3 0 "[ . 1 . 2]"
1 40 ASP 0.002 0.002 6 0 "[ . 1 . 2]"
1 41 ILE 0.015 0.012 11 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.008 0.008 11 0 "[ . 1 . 2]"
1 44 ASP 0.030 0.029 11 0 "[ . 1 . 2]"
1 45 GLY 0.029 0.029 11 0 "[ . 1 . 2]"
1 46 THR 0.035 0.012 11 0 "[ . 1 . 2]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.016 0.006 3 0 "[ . 1 . 2]"
1 49 PHE 0.080 0.017 3 0 "[ . 1 . 2]"
1 50 LEU 0.194 0.039 16 0 "[ . 1 . 2]"
1 51 PRO 0.143 0.027 12 0 "[ . 1 . 2]"
1 52 LEU 0.013 0.004 1 0 "[ . 1 . 2]"
1 53 LEU 0.009 0.003 3 0 "[ . 1 . 2]"
1 54 LYS 0.090 0.027 12 0 "[ . 1 . 2]"
1 55 ALA 0.146 0.039 16 0 "[ . 1 . 2]"
1 56 GLN 0.107 0.036 7 0 "[ . 1 . 2]"
1 57 GLU 0.003 0.002 8 0 "[ . 1 . 2]"
1 58 TYR 0.028 0.008 12 0 "[ . 1 . 2]"
1 59 ILE 0.050 0.006 9 0 "[ . 1 . 2]"
1 60 ARG 0.288 0.072 5 0 "[ . 1 . 2]"
1 61 GLN 0.155 0.068 15 0 "[ . 1 . 2]"
1 62 LYS 0.068 0.068 15 0 "[ . 1 . 2]"
1 63 ASN 0.043 0.006 9 0 "[ . 1 . 2]"
1 64 LYS 0.103 0.044 10 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.019 0.005 14 0 "[ . 1 . 2]"
1 67 LYS 0.489 0.075 16 0 "[ . 1 . 2]"
1 68 LEU 0.023 0.006 14 0 "[ . 1 . 2]"
1 69 LYS 0.004 0.003 9 0 "[ . 1 . 2]"
1 70 VAL 0.016 0.008 11 0 "[ . 1 . 2]"
1 71 GLY 0.054 0.008 5 0 "[ . 1 . 2]"
1 72 GLN 0.153 0.031 17 0 "[ . 1 . 2]"
1 73 TYR 0.131 0.031 17 0 "[ . 1 . 2]"
1 74 LEU 0.065 0.022 11 0 "[ . 1 . 2]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 CYS 0.013 0.006 16 0 "[ . 1 . 2]"
1 77 ILE 0.006 0.002 12 0 "[ . 1 . 2]"
1 78 VAL 0.009 0.003 3 0 "[ . 1 . 2]"
1 79 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 80 LYS 0.009 0.005 6 0 "[ . 1 . 2]"
1 81 VAL 0.005 0.005 6 0 "[ . 1 . 2]"
1 82 LYS 0.040 0.040 4 0 "[ . 1 . 2]"
1 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 VAL 0.011 0.006 3 0 "[ . 1 . 2]"
1 89 SER 0.079 0.030 14 0 "[ . 1 . 2]"
1 90 LEU 0.084 0.030 14 0 "[ . 1 . 2]"
1 91 SER 0.029 0.012 11 0 "[ . 1 . 2]"
1 92 VAL 0.153 0.025 11 0 "[ . 1 . 2]"
1 93 GLY 0.001 0.001 12 0 "[ . 1 . 2]"
1 94 HIS 0.006 0.005 12 0 "[ . 1 . 2]"
1 95 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
1 97 VAL 0.001 0.001 9 0 "[ . 1 . 2]"
1 98 SER 0.008 0.007 10 0 "[ . 1 . 2]"
1 99 THR 0.007 0.007 10 0 "[ . 1 . 2]"
1 100 ALA 0.002 0.002 12 0 "[ . 1 . 2]"
1 101 ILE 0.002 0.002 12 0 "[ . 1 . 2]"
1 102 ALA 0.078 0.038 3 0 "[ . 1 . 2]"
1 103 THR 0.169 0.085 20 0 "[ . 1 . 2]"
1 104 GLU 0.117 0.085 20 0 "[ . 1 . 2]"
1 105 GLN 0.003 0.003 1 0 "[ . 1 . 2]"
1 106 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 TRP 0.003 0.002 20 0 "[ . 1 . 2]"
1 109 ASN 0.006 0.003 3 0 "[ . 1 . 2]"
1 110 LEU 0.021 0.018 16 0 "[ . 1 . 2]"
1 111 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 0.090 0.026 5 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 LYS QE 1 8 LYS QG . . 3.240 2.226 2.051 2.620 . 0 0 "[ . 1 . 2]" 1
2 1 9 ASN HA 1 9 ASN QD . . 3.090 2.666 2.038 3.177 0.087 19 0 "[ . 1 . 2]" 1
3 1 9 ASN HA 1 10 VAL H . . 2.890 2.293 2.141 2.580 . 0 0 "[ . 1 . 2]" 1
4 1 9 ASN QB 1 10 VAL H . . 4.530 2.992 2.140 3.660 . 0 0 "[ . 1 . 2]" 1
5 1 9 ASN QB 1 10 VAL MG1 . . 5.500 4.727 3.505 5.495 . 0 0 "[ . 1 . 2]" 1
6 1 9 ASN QB 1 10 VAL MG2 . . 5.500 4.585 3.788 5.502 0.002 18 0 "[ . 1 . 2]" 1
7 1 9 ASN QB 1 12 ARG H . . 4.700 4.240 2.675 4.699 . 0 0 "[ . 1 . 2]" 1
8 1 10 VAL H 1 10 VAL HB . . 3.650 2.951 2.502 3.640 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL H 1 10 VAL MG1 . . 4.500 2.924 1.877 3.881 . 0 0 "[ . 1 . 2]" 1
10 1 10 VAL H 1 10 VAL QG . . 3.890 2.129 1.799 2.856 . 0 0 "[ . 1 . 2]" 1
11 1 10 VAL H 1 10 VAL MG2 . . 4.500 2.599 1.891 3.820 . 0 0 "[ . 1 . 2]" 1
12 1 10 VAL H 1 11 ASN H . . 4.720 3.245 2.102 4.630 . 0 0 "[ . 1 . 2]" 1
13 1 10 VAL HB 1 11 ASN H . . 4.640 3.306 2.058 4.468 . 0 0 "[ . 1 . 2]" 1
14 1 10 VAL QG 1 11 ASN H . . 4.100 2.752 1.897 3.507 . 0 0 "[ . 1 . 2]" 1
15 1 10 VAL MG1 1 11 ASN H . . 4.820 3.340 1.902 4.144 . 0 0 "[ . 1 . 2]" 1
16 1 10 VAL MG2 1 11 ASN H . . 4.820 3.412 2.069 4.294 . 0 0 "[ . 1 . 2]" 1
17 1 11 ASN H 1 11 ASN QB . . 3.760 2.750 2.292 3.388 . 0 0 "[ . 1 . 2]" 1
18 1 11 ASN H 1 12 ARG H . . 4.390 3.630 2.719 4.278 . 0 0 "[ . 1 . 2]" 1
19 1 11 ASN HA 1 12 ARG H . . 3.230 2.410 2.140 2.804 . 0 0 "[ . 1 . 2]" 1
20 1 12 ARG H 1 12 ARG QB . . 3.510 2.549 2.149 3.322 . 0 0 "[ . 1 . 2]" 1
21 1 12 ARG H 1 12 ARG QG . . 4.310 2.855 1.890 4.248 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG HA 1 12 ARG QG . . 3.940 2.783 2.129 3.425 . 0 0 "[ . 1 . 2]" 1
23 1 12 ARG HA 1 13 VAL H . . 2.930 2.311 2.140 2.864 . 0 0 "[ . 1 . 2]" 1
24 1 12 ARG HA 1 14 LEU H . . 5.030 4.284 3.573 4.984 . 0 0 "[ . 1 . 2]" 1
25 1 12 ARG QB 1 13 VAL H . . 4.450 3.163 2.709 3.929 . 0 0 "[ . 1 . 2]" 1
26 1 12 ARG QB 1 14 LEU QB . . 3.380 3.039 2.475 3.381 0.001 6 0 "[ . 1 . 2]" 1
27 1 12 ARG QD 1 14 LEU QB . . 3.380 2.903 1.973 3.380 . 0 0 "[ . 1 . 2]" 1
28 1 13 VAL H 1 13 VAL HB . . 3.740 3.131 2.476 3.742 0.002 8 0 "[ . 1 . 2]" 1
29 1 13 VAL H 1 13 VAL MG1 . . 4.320 3.253 1.897 3.900 . 0 0 "[ . 1 . 2]" 1
30 1 13 VAL H 1 13 VAL QG . . 3.480 2.189 1.819 2.744 . 0 0 "[ . 1 . 2]" 1
31 1 13 VAL H 1 13 VAL MG2 . . 4.320 2.343 1.875 3.875 . 0 0 "[ . 1 . 2]" 1
32 1 13 VAL H 1 14 LEU H . . 3.690 2.989 2.202 3.602 . 0 0 "[ . 1 . 2]" 1
33 1 13 VAL H 1 14 LEU QB . . 4.810 4.359 3.970 4.810 . 16 0 "[ . 1 . 2]" 1
34 1 13 VAL HA 1 13 VAL QG . . 3.130 2.169 1.996 2.401 . 0 0 "[ . 1 . 2]" 1
35 1 13 VAL HA 1 14 LEU QB . . 5.170 4.792 4.459 5.179 0.009 17 0 "[ . 1 . 2]" 1
36 1 13 VAL HB 1 14 LEU H . . 4.530 4.055 2.554 4.516 . 0 0 "[ . 1 . 2]" 1
37 1 13 VAL QG 1 14 LEU H . . 3.910 3.339 2.277 3.759 . 0 0 "[ . 1 . 2]" 1
38 1 13 VAL MG1 1 14 LEU H . . 4.560 3.918 3.299 4.359 . 0 0 "[ . 1 . 2]" 1
39 1 13 VAL MG2 1 14 LEU H . . 4.560 3.833 2.291 4.366 . 0 0 "[ . 1 . 2]" 1
40 1 14 LEU H 1 14 LEU QB . . 3.070 2.394 2.134 2.853 . 0 0 "[ . 1 . 2]" 1
41 1 14 LEU H 1 14 LEU MD1 . . 5.270 4.072 2.359 4.695 . 0 0 "[ . 1 . 2]" 1
42 1 14 LEU H 1 14 LEU QD . . 4.490 3.193 1.959 3.967 . 0 0 "[ . 1 . 2]" 1
43 1 14 LEU H 1 14 LEU MD2 . . 5.270 3.643 1.963 4.729 . 0 0 "[ . 1 . 2]" 1
44 1 14 LEU H 1 14 LEU HG . . 4.540 4.180 3.049 4.555 0.015 11 0 "[ . 1 . 2]" 1
45 1 14 LEU H 1 15 SER H . . 4.400 3.236 2.037 4.392 . 0 0 "[ . 1 . 2]" 1
46 1 14 LEU HA 1 14 LEU HG . . 3.780 2.999 2.252 3.733 . 0 0 "[ . 1 . 2]" 1
47 1 14 LEU HA 1 15 SER H . . 3.550 2.769 2.141 3.555 0.005 10 0 "[ . 1 . 2]" 1
48 1 14 LEU QB 1 15 SER H . . 4.340 3.496 2.525 4.039 . 0 0 "[ . 1 . 2]" 1
49 1 14 LEU MD1 1 15 SER H . . 5.500 4.495 3.064 5.234 . 0 0 "[ . 1 . 2]" 1
50 1 14 LEU MD2 1 15 SER H . . 5.500 4.122 2.571 5.430 . 0 0 "[ . 1 . 2]" 1
51 1 15 SER H 1 15 SER QB . . 3.530 2.726 2.170 3.377 . 0 0 "[ . 1 . 2]" 1
52 1 15 SER H 1 16 ALA H . . 4.930 4.473 4.309 4.648 . 0 0 "[ . 1 . 2]" 1
53 1 15 SER HA 1 16 ALA H . . 3.210 2.360 2.203 2.624 . 0 0 "[ . 1 . 2]" 1
54 1 15 SER HA 1 16 ALA MB . . 4.290 4.086 3.820 4.251 . 0 0 "[ . 1 . 2]" 1
55 1 15 SER QB 1 16 ALA H . . 3.470 2.606 2.012 3.119 . 0 0 "[ . 1 . 2]" 1
56 1 15 SER QB 1 16 ALA MB . . 4.130 3.900 3.430 4.126 . 0 0 "[ . 1 . 2]" 1
57 1 15 SER QB 1 17 GLU H . . 3.620 2.641 2.149 3.087 . 0 0 "[ . 1 . 2]" 1
58 1 15 SER QB 1 18 ALA H . . 3.850 3.020 2.381 3.488 . 0 0 "[ . 1 . 2]" 1
59 1 15 SER QB 1 18 ALA MB . . 4.110 3.127 1.910 3.921 . 0 0 "[ . 1 . 2]" 1
60 1 15 SER HB2 1 17 GLU H . . 4.430 3.255 2.327 4.349 . 0 0 "[ . 1 . 2]" 1
61 1 15 SER HB2 1 18 ALA H . . 4.500 3.293 2.476 4.495 . 0 0 "[ . 1 . 2]" 1
62 1 15 SER HB3 1 17 GLU H . . 4.430 3.308 2.174 4.418 . 0 0 "[ . 1 . 2]" 1
63 1 15 SER HB3 1 18 ALA H . . 4.500 3.841 2.718 4.474 . 0 0 "[ . 1 . 2]" 1
64 1 16 ALA H 1 16 ALA MB . . 3.070 2.158 2.042 2.455 . 0 0 "[ . 1 . 2]" 1
65 1 16 ALA H 1 17 GLU H . . 3.650 2.707 1.813 2.986 . 0 0 "[ . 1 . 2]" 1
66 1 16 ALA H 1 18 ALA H . . 5.190 4.117 3.140 4.641 . 0 0 "[ . 1 . 2]" 1
67 1 16 ALA H 1 19 LEU H . . 5.360 4.967 4.591 5.357 . 0 0 "[ . 1 . 2]" 1
68 1 16 ALA HA 1 18 ALA H . . 4.700 4.128 3.514 4.664 . 0 0 "[ . 1 . 2]" 1
69 1 16 ALA HA 1 19 LEU H . . 4.500 3.497 2.824 4.181 . 0 0 "[ . 1 . 2]" 1
70 1 16 ALA HA 1 19 LEU QB . . 4.840 3.144 1.991 4.135 . 0 0 "[ . 1 . 2]" 1
71 1 16 ALA HA 1 19 LEU MD1 . . 3.510 2.387 1.968 3.094 . 0 0 "[ . 1 . 2]" 1
72 1 16 ALA HA 1 19 LEU HG . . 3.620 2.435 2.002 3.559 . 0 0 "[ . 1 . 2]" 1
73 1 16 ALA MB 1 17 GLU H . . 3.590 2.758 2.260 3.145 . 0 0 "[ . 1 . 2]" 1
74 1 16 ALA MB 1 17 GLU HA . . 4.710 3.819 3.652 3.987 . 0 0 "[ . 1 . 2]" 1
75 1 16 ALA MB 1 18 ALA H . . 4.720 4.460 4.046 4.723 0.003 17 0 "[ . 1 . 2]" 1
76 1 16 ALA MB 1 46 THR HB . . 4.550 4.250 3.040 4.550 . 0 0 "[ . 1 . 2]" 1
77 1 16 ALA MB 1 46 THR MG . . 3.530 3.040 2.308 3.524 . 0 0 "[ . 1 . 2]" 1
78 1 16 ALA MB 1 85 GLY QA . . 4.020 3.372 1.796 4.017 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLU H 1 17 GLU QB . . 3.240 2.474 2.165 2.692 . 0 0 "[ . 1 . 2]" 1
80 1 17 GLU H 1 17 GLU QG . . 3.710 2.393 1.976 3.714 0.004 1 0 "[ . 1 . 2]" 1
81 1 17 GLU H 1 18 ALA H . . 3.410 2.521 2.083 2.933 . 0 0 "[ . 1 . 2]" 1
82 1 17 GLU H 1 18 ALA MB . . 4.710 4.216 3.889 4.621 . 0 0 "[ . 1 . 2]" 1
83 1 17 GLU H 1 19 LEU H . . 4.700 3.996 3.688 4.407 . 0 0 "[ . 1 . 2]" 1
84 1 17 GLU HA 1 17 GLU QG . . 3.560 2.932 2.287 3.448 . 0 0 "[ . 1 . 2]" 1
85 1 17 GLU HA 1 19 LEU H . . 4.580 4.032 3.518 4.544 . 0 0 "[ . 1 . 2]" 1
86 1 17 GLU QB 1 18 ALA H . . 3.770 3.141 2.330 3.772 0.002 7 0 "[ . 1 . 2]" 1
87 1 17 GLU QG 1 18 ALA H . . 4.310 3.375 2.180 4.317 0.007 17 0 "[ . 1 . 2]" 1
88 1 18 ALA H 1 18 ALA MB . . 2.880 2.259 2.045 2.509 . 0 0 "[ . 1 . 2]" 1
89 1 18 ALA H 1 19 LEU H . . 3.300 2.448 1.815 2.769 . 0 0 "[ . 1 . 2]" 1
90 1 18 ALA H 1 19 LEU MD2 . . 4.810 4.680 4.260 4.809 . 0 0 "[ . 1 . 2]" 1
91 1 18 ALA MB 1 19 LEU H . . 3.800 3.058 2.525 3.633 . 0 0 "[ . 1 . 2]" 1
92 1 19 LEU H 1 19 LEU HB2 . . 3.840 2.444 2.290 2.761 . 0 0 "[ . 1 . 2]" 1
93 1 19 LEU H 1 19 LEU QB . . 3.020 2.403 2.263 2.675 . 0 0 "[ . 1 . 2]" 1
94 1 19 LEU H 1 19 LEU HB3 . . 3.840 3.578 3.546 3.630 . 0 0 "[ . 1 . 2]" 1
95 1 19 LEU H 1 19 LEU MD1 . . 4.050 3.788 3.532 4.051 0.001 9 0 "[ . 1 . 2]" 1
96 1 19 LEU H 1 19 LEU MD2 . . 3.940 3.277 2.734 3.941 0.001 9 0 "[ . 1 . 2]" 1
97 1 19 LEU H 1 19 LEU HG . . 3.610 2.472 1.902 3.195 . 0 0 "[ . 1 . 2]" 1
98 1 19 LEU HA 1 19 LEU MD1 . . 4.280 3.808 3.694 3.908 . 0 0 "[ . 1 . 2]" 1
99 1 19 LEU HA 1 19 LEU MD2 . . 3.050 2.046 1.920 2.260 . 0 0 "[ . 1 . 2]" 1
100 1 19 LEU HA 1 19 LEU HG . . 3.650 3.135 2.862 3.317 . 0 0 "[ . 1 . 2]" 1
101 1 19 LEU HA 1 20 LYS H . . 2.960 2.413 2.179 2.643 . 0 0 "[ . 1 . 2]" 1
102 1 19 LEU HA 1 20 LYS QG . . 4.570 3.668 3.178 4.273 . 0 0 "[ . 1 . 2]" 1
103 1 19 LEU HA 1 23 MET ME . . 3.540 2.429 1.957 3.115 . 0 0 "[ . 1 . 2]" 1
104 1 19 LEU QB 1 19 LEU MD1 . . 3.110 2.066 2.010 2.095 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU QB 1 20 LYS H . . 3.690 2.392 1.903 3.005 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU QB 1 20 LYS QG . . 5.200 4.433 4.017 4.841 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU HB2 1 19 LEU MD1 . . 3.600 2.370 2.267 2.570 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU HB2 1 20 LYS H . . 4.200 3.666 3.228 4.098 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU HB3 1 19 LEU MD1 . . 3.600 2.297 2.099 2.431 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU HB3 1 20 LYS H . . 4.200 2.428 1.915 3.099 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU MD2 1 20 LYS H . . 3.850 3.146 2.895 3.526 . 0 0 "[ . 1 . 2]" 1
112 1 19 LEU MD2 1 23 MET ME . . 2.870 2.462 1.778 2.864 . 0 0 "[ . 1 . 2]" 1
113 1 19 LEU MD2 1 23 MET HG2 . . 5.500 5.148 4.615 5.484 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU MD2 1 23 MET HG3 . . 5.500 4.722 4.243 5.473 . 0 0 "[ . 1 . 2]" 1
115 1 20 LYS H 1 20 LYS QB . . 3.550 2.751 2.535 3.366 . 0 0 "[ . 1 . 2]" 1
116 1 20 LYS H 1 20 LYS QG . . 3.830 3.013 2.281 3.635 . 0 0 "[ . 1 . 2]" 1
117 1 20 LYS H 1 23 MET QB . . 4.650 4.122 3.416 4.636 . 0 0 "[ . 1 . 2]" 1
118 1 20 LYS H 1 23 MET ME . . 3.660 2.020 1.739 2.549 . 0 0 "[ . 1 . 2]" 1
119 1 20 LYS H 1 23 MET HG3 . . 4.390 3.588 3.003 4.110 . 0 0 "[ . 1 . 2]" 1
120 1 20 LYS H 1 81 VAL MG2 . . 4.810 3.983 2.689 4.689 . 0 0 "[ . 1 . 2]" 1
121 1 20 LYS QB 1 21 PRO HD2 . . 3.160 2.153 2.041 2.387 . 0 0 "[ . 1 . 2]" 1
122 1 20 LYS QB 1 21 PRO HD3 . . 3.890 3.479 3.408 3.587 . 0 0 "[ . 1 . 2]" 1
123 1 20 LYS QB 1 23 MET ME . . 3.470 2.484 1.935 3.469 . 0 0 "[ . 1 . 2]" 1
124 1 20 LYS QB 1 23 MET HG3 . . 4.110 3.555 2.904 4.111 0.001 12 0 "[ . 1 . 2]" 1
125 1 20 LYS HB2 1 21 PRO HD3 . . 4.760 4.513 3.515 4.760 0.000 7 0 "[ . 1 . 2]" 1
126 1 20 LYS HB3 1 21 PRO HD3 . . 4.760 3.769 3.496 4.624 . 0 0 "[ . 1 . 2]" 1
127 1 20 LYS QG 1 21 PRO HD2 . . 4.360 3.571 2.740 4.175 . 0 0 "[ . 1 . 2]" 1
128 1 20 LYS QG 1 23 MET ME . . 3.290 2.876 1.796 3.290 0.000 10 0 "[ . 1 . 2]" 1
129 1 21 PRO HA 1 22 GLY H . . 2.970 2.171 2.155 2.197 . 0 0 "[ . 1 . 2]" 1
130 1 21 PRO HA 1 22 GLY HA2 . . 4.500 4.385 4.346 4.460 . 0 0 "[ . 1 . 2]" 1
131 1 21 PRO HA 1 22 GLY HA3 . . 4.500 4.410 4.400 4.433 . 0 0 "[ . 1 . 2]" 1
132 1 21 PRO HA 1 23 MET H . . 4.080 3.537 3.324 3.814 . 0 0 "[ . 1 . 2]" 1
133 1 21 PRO HA 1 78 VAL MG1 . . 3.280 2.157 1.953 2.519 . 0 0 "[ . 1 . 2]" 1
134 1 21 PRO QB 1 22 GLY H . . 4.110 3.455 3.114 3.642 . 0 0 "[ . 1 . 2]" 1
135 1 21 PRO QB 1 81 VAL H . . 4.510 3.873 3.380 4.327 . 0 0 "[ . 1 . 2]" 1
136 1 21 PRO HD2 1 81 VAL MG2 . . 4.400 3.998 3.293 4.379 . 0 0 "[ . 1 . 2]" 1
137 1 21 PRO HD3 1 81 VAL MG2 . . 3.760 2.582 1.945 2.923 . 0 0 "[ . 1 . 2]" 1
138 1 21 PRO HG2 1 80 LYS HA . . 5.370 5.119 4.660 5.370 . 0 0 "[ . 1 . 2]" 1
139 1 21 PRO HG2 1 81 VAL MG2 . . 5.300 4.867 4.312 5.128 . 0 0 "[ . 1 . 2]" 1
140 1 21 PRO HG3 1 78 VAL MG1 . . 5.050 4.852 4.519 5.053 0.003 3 0 "[ . 1 . 2]" 1
141 1 21 PRO HG3 1 80 LYS HA . . 4.490 3.716 3.105 3.999 . 0 0 "[ . 1 . 2]" 1
142 1 21 PRO HG3 1 81 VAL H . . 4.860 4.308 3.668 4.849 . 0 0 "[ . 1 . 2]" 1
143 1 21 PRO HG3 1 81 VAL MG2 . . 4.300 4.017 3.368 4.295 . 0 0 "[ . 1 . 2]" 1
144 1 22 GLY H 1 23 MET H . . 3.520 1.969 1.814 2.546 . 0 0 "[ . 1 . 2]" 1
145 1 22 GLY H 1 77 ILE MG . . 4.020 3.114 2.843 3.484 . 0 0 "[ . 1 . 2]" 1
146 1 22 GLY H 1 78 VAL H . . 4.800 3.623 3.358 3.832 . 0 0 "[ . 1 . 2]" 1
147 1 22 GLY H 1 78 VAL HB . . 3.700 2.170 1.968 2.440 . 0 0 "[ . 1 . 2]" 1
148 1 22 GLY H 1 78 VAL MG1 . . 4.140 3.328 2.753 3.771 . 0 0 "[ . 1 . 2]" 1
149 1 22 GLY H 1 78 VAL MG2 . . 4.600 3.699 3.461 3.990 . 0 0 "[ . 1 . 2]" 1
150 1 22 GLY H 1 79 GLU HA . . 4.440 4.144 3.845 4.358 . 0 0 "[ . 1 . 2]" 1
151 1 22 GLY QA 1 77 ILE MD . . 4.800 4.545 3.914 4.801 0.001 5 0 "[ . 1 . 2]" 1
152 1 22 GLY QA 1 77 ILE MG . . 3.380 2.660 2.042 2.869 . 0 0 "[ . 1 . 2]" 1
153 1 22 GLY HA2 1 77 ILE MG . . 4.160 2.702 2.057 2.929 . 0 0 "[ . 1 . 2]" 1
154 1 22 GLY HA3 1 77 ILE MG . . 4.160 3.998 3.457 4.162 0.002 12 0 "[ . 1 . 2]" 1
155 1 23 MET H 1 23 MET QB . . 3.140 2.287 2.245 2.346 . 0 0 "[ . 1 . 2]" 1
156 1 23 MET H 1 23 MET HG2 . . 4.140 3.814 3.579 4.040 . 0 0 "[ . 1 . 2]" 1
157 1 23 MET H 1 23 MET HG3 . . 3.670 2.811 2.506 3.125 . 0 0 "[ . 1 . 2]" 1
158 1 23 MET H 1 24 LEU H . . 4.730 4.550 4.480 4.609 . 0 0 "[ . 1 . 2]" 1
159 1 23 MET H 1 77 ILE MG . . 4.360 3.287 2.634 3.807 . 0 0 "[ . 1 . 2]" 1
160 1 23 MET H 1 78 VAL H . . 4.240 3.601 2.918 4.049 . 0 0 "[ . 1 . 2]" 1
161 1 23 MET H 1 78 VAL HB . . 3.440 2.584 2.266 2.889 . 0 0 "[ . 1 . 2]" 1
162 1 23 MET H 1 78 VAL MG1 . . 4.320 4.025 3.738 4.310 . 0 0 "[ . 1 . 2]" 1
163 1 23 MET H 1 78 VAL MG2 . . 3.920 3.214 2.759 3.650 . 0 0 "[ . 1 . 2]" 1
164 1 23 MET HA 1 23 MET HG2 . . 3.680 2.388 2.267 2.564 . 0 0 "[ . 1 . 2]" 1
165 1 23 MET HA 1 23 MET HG3 . . 3.900 2.996 2.834 3.119 . 0 0 "[ . 1 . 2]" 1
166 1 23 MET HA 1 24 LEU H . . 2.810 2.187 2.154 2.224 . 0 0 "[ . 1 . 2]" 1
167 1 23 MET HA 1 24 LEU HB2 . . 4.650 4.616 4.536 4.651 0.001 3 0 "[ . 1 . 2]" 1
168 1 23 MET HA 1 24 LEU HG . . 5.460 4.547 4.397 4.742 . 0 0 "[ . 1 . 2]" 1
169 1 23 MET QB 1 23 MET ME . . 3.730 3.239 2.312 3.558 . 0 0 "[ . 1 . 2]" 1
170 1 23 MET QB 1 24 LEU H . . 3.800 3.051 2.910 3.221 . 0 0 "[ . 1 . 2]" 1
171 1 23 MET QB 1 78 VAL H . . 4.700 3.863 3.435 4.168 . 0 0 "[ . 1 . 2]" 1
172 1 23 MET QB 1 78 VAL HB . . 3.970 3.245 3.004 3.470 . 0 0 "[ . 1 . 2]" 1
173 1 23 MET QB 1 78 VAL MG1 . . 4.210 4.101 3.854 4.212 0.002 14 0 "[ . 1 . 2]" 1
174 1 23 MET QB 1 78 VAL MG2 . . 3.270 2.400 2.038 2.717 . 0 0 "[ . 1 . 2]" 1
175 1 23 MET ME 1 23 MET HG2 . . 3.440 2.823 2.117 3.358 . 0 0 "[ . 1 . 2]" 1
176 1 23 MET ME 1 23 MET HG3 . . 3.430 2.310 1.989 2.969 . 0 0 "[ . 1 . 2]" 1
177 1 23 MET HG2 1 24 LEU H . . 4.380 3.973 3.851 4.149 . 0 0 "[ . 1 . 2]" 1
178 1 23 MET HG2 1 24 LEU MD1 . . 5.500 4.721 4.578 4.951 . 0 0 "[ . 1 . 2]" 1
179 1 23 MET HG3 1 24 LEU H . . 5.050 4.953 4.830 5.049 . 0 0 "[ . 1 . 2]" 1
180 1 23 MET HG3 1 78 VAL MG2 . . 5.500 4.362 3.913 4.649 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU H 1 24 LEU HB2 . . 3.460 2.487 2.399 2.553 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU H 1 24 LEU HB3 . . 3.730 3.644 3.609 3.686 . 0 0 "[ . 1 . 2]" 1
183 1 24 LEU H 1 24 LEU MD1 . . 4.150 2.004 1.902 2.128 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU H 1 24 LEU MD2 . . 4.200 4.133 4.061 4.199 . 0 0 "[ . 1 . 2]" 1
185 1 24 LEU H 1 24 LEU HG . . 3.430 3.318 3.167 3.429 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU H 1 25 LEU H . . 4.690 4.348 4.253 4.437 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU HA 1 24 LEU MD1 . . 3.560 3.383 3.256 3.450 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU HA 1 24 LEU MD2 . . 3.710 3.561 3.514 3.689 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU HA 1 24 LEU HG . . 3.810 2.500 2.420 2.560 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU HA 1 25 LEU H . . 3.000 2.147 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU HA 1 25 LEU HB2 . . 4.820 4.626 4.426 4.821 0.001 6 0 "[ . 1 . 2]" 1
192 1 24 LEU HA 1 25 LEU MD1 . . 5.500 4.073 2.803 5.474 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU HA 1 25 LEU QD . . 4.080 3.285 2.795 4.081 0.001 6 0 "[ . 1 . 2]" 1
194 1 24 LEU HA 1 25 LEU MD2 . . 5.500 4.609 3.170 5.501 0.001 9 0 "[ . 1 . 2]" 1
195 1 24 LEU HB2 1 24 LEU MD1 . . 3.500 2.105 2.015 2.213 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU HB2 1 25 LEU H . . 4.750 4.321 4.183 4.410 . 0 0 "[ . 1 . 2]" 1
197 1 24 LEU HB3 1 25 LEU H . . 4.130 3.578 3.324 3.688 . 0 0 "[ . 1 . 2]" 1
198 1 24 LEU HG 1 25 LEU H . . 4.690 4.585 4.452 4.680 . 0 0 "[ . 1 . 2]" 1
199 1 25 LEU H 1 25 LEU HB2 . . 3.750 2.667 2.464 2.826 . 0 0 "[ . 1 . 2]" 1
200 1 25 LEU H 1 25 LEU MD1 . . 4.510 3.200 2.190 4.281 . 0 0 "[ . 1 . 2]" 1
201 1 25 LEU H 1 25 LEU QD . . 3.870 2.609 2.183 3.386 . 0 0 "[ . 1 . 2]" 1
202 1 25 LEU H 1 25 LEU MD2 . . 4.510 3.697 2.286 4.440 . 0 0 "[ . 1 . 2]" 1
203 1 25 LEU H 1 25 LEU HG . . 4.430 3.749 2.679 4.430 . 0 0 "[ . 1 . 2]" 1
204 1 25 LEU H 1 26 THR H . . 4.620 4.349 4.257 4.464 . 0 0 "[ . 1 . 2]" 1
205 1 25 LEU HB2 1 26 THR H . . 4.300 4.101 3.847 4.288 . 0 0 "[ . 1 . 2]" 1
206 1 25 LEU HB3 1 25 LEU MD1 . . 3.650 2.734 2.214 3.185 . 0 0 "[ . 1 . 2]" 1
207 1 25 LEU HB3 1 25 LEU MD2 . . 3.650 2.425 2.050 3.190 . 0 0 "[ . 1 . 2]" 1
208 1 25 LEU HB3 1 26 THR H . . 3.750 3.149 2.716 3.326 . 0 0 "[ . 1 . 2]" 1
209 1 25 LEU QD 1 26 THR H . . 4.750 3.821 2.851 4.357 . 0 0 "[ . 1 . 2]" 1
210 1 26 THR H 1 26 THR HB . . 3.490 2.682 2.574 2.856 . 0 0 "[ . 1 . 2]" 1
211 1 26 THR H 1 26 THR MG . . 4.110 3.829 3.777 3.902 . 0 0 "[ . 1 . 2]" 1
212 1 26 THR H 1 27 GLY H . . 4.900 4.416 4.265 4.502 . 0 0 "[ . 1 . 2]" 1
213 1 26 THR HA 1 26 THR MG . . 3.320 2.255 2.164 2.333 . 0 0 "[ . 1 . 2]" 1
214 1 26 THR HA 1 27 GLY H . . 3.130 2.149 2.145 2.166 . 0 0 "[ . 1 . 2]" 1
215 1 26 THR HB 1 27 GLY H . . 4.190 4.154 4.058 4.191 0.001 14 0 "[ . 1 . 2]" 1
216 1 26 THR HB 1 73 TYR QD . . 4.820 4.307 3.890 4.581 . 0 0 "[ . 1 . 2]" 1
217 1 26 THR HB 1 73 TYR QE . . 4.530 4.307 3.810 4.533 0.003 9 0 "[ . 1 . 2]" 1
218 1 26 THR MG 1 27 GLY H . . 3.740 2.607 2.299 2.917 . 0 0 "[ . 1 . 2]" 1
219 1 26 THR MG 1 73 TYR HA . . 4.640 4.236 3.969 4.427 . 0 0 "[ . 1 . 2]" 1
220 1 26 THR MG 1 73 TYR HB2 . . 4.940 4.683 4.323 4.894 . 0 0 "[ . 1 . 2]" 1
221 1 26 THR MG 1 73 TYR HB3 . . 3.980 3.331 2.983 3.556 . 0 0 "[ . 1 . 2]" 1
222 1 26 THR MG 1 73 TYR QD . . 3.740 2.266 2.092 2.389 . 0 0 "[ . 1 . 2]" 1
223 1 26 THR MG 1 73 TYR QE . . 4.260 3.205 2.608 3.522 . 0 0 "[ . 1 . 2]" 1
224 1 26 THR MG 1 74 LEU H . . 3.850 3.714 3.303 3.851 0.001 6 0 "[ . 1 . 2]" 1
225 1 27 GLY H 1 28 THR H . . 4.730 4.430 4.305 4.523 . 0 0 "[ . 1 . 2]" 1
226 1 27 GLY H 1 39 VAL MG1 . . 4.860 3.516 3.191 3.850 . 0 0 "[ . 1 . 2]" 1
227 1 27 GLY H 1 41 ILE MG . . 5.500 5.339 4.935 5.502 0.002 9 0 "[ . 1 . 2]" 1
228 1 27 GLY H 1 74 LEU H . . 4.010 3.886 3.662 4.010 . 0 0 "[ . 1 . 2]" 1
229 1 27 GLY QA 1 28 THR H . . 3.110 2.260 2.196 2.282 . 0 0 "[ . 1 . 2]" 1
230 1 27 GLY QA 1 39 VAL MG1 . . 3.360 2.397 1.988 2.892 . 0 0 "[ . 1 . 2]" 1
231 1 27 GLY QA 1 41 ILE MG . . 3.870 3.619 3.329 3.822 . 0 0 "[ . 1 . 2]" 1
232 1 28 THR H 1 28 THR HB . . 3.810 3.686 3.609 3.750 . 0 0 "[ . 1 . 2]" 1
233 1 28 THR H 1 28 THR MG . . 4.200 3.254 3.043 3.421 . 0 0 "[ . 1 . 2]" 1
234 1 28 THR H 1 39 VAL MG1 . . 3.690 3.146 2.664 3.481 . 0 0 "[ . 1 . 2]" 1
235 1 28 THR H 1 40 ASP H . . 4.000 2.859 2.364 3.273 . 0 0 "[ . 1 . 2]" 1
236 1 28 THR H 1 40 ASP HB2 . . 4.260 3.472 3.144 3.962 . 0 0 "[ . 1 . 2]" 1
237 1 28 THR H 1 40 ASP HB3 . . 4.640 2.433 1.998 3.005 . 0 0 "[ . 1 . 2]" 1
238 1 28 THR HA 1 28 THR MG . . 3.430 2.098 2.017 2.178 . 0 0 "[ . 1 . 2]" 1
239 1 28 THR HA 1 29 VAL H . . 3.090 2.199 2.167 2.244 . 0 0 "[ . 1 . 2]" 1
240 1 28 THR HA 1 29 VAL HB . . 4.920 4.754 4.693 4.849 . 0 0 "[ . 1 . 2]" 1
241 1 28 THR HA 1 29 VAL MG2 . . 4.330 3.677 3.553 3.781 . 0 0 "[ . 1 . 2]" 1
242 1 28 THR HA 1 39 VAL MG1 . . 4.710 4.005 3.636 4.313 . 0 0 "[ . 1 . 2]" 1
243 1 28 THR HA 1 74 LEU H . . 3.410 2.679 2.550 2.900 . 0 0 "[ . 1 . 2]" 1
244 1 28 THR HA 1 74 LEU MD2 . . 5.480 5.350 5.051 5.485 0.005 5 0 "[ . 1 . 2]" 1
245 1 28 THR HB 1 29 VAL H . . 3.930 3.043 2.850 3.235 . 0 0 "[ . 1 . 2]" 1
246 1 28 THR HB 1 40 ASP HB2 . . 4.510 4.394 4.080 4.509 . 0 0 "[ . 1 . 2]" 1
247 1 28 THR HB 1 40 ASP HB3 . . 4.570 4.394 3.952 4.572 0.002 6 0 "[ . 1 . 2]" 1
248 1 28 THR HB 1 71 GLY H . . 4.320 4.052 3.798 4.317 . 0 0 "[ . 1 . 2]" 1
249 1 28 THR HB 1 71 GLY HA2 . . 3.710 2.972 2.563 3.180 . 0 0 "[ . 1 . 2]" 1
250 1 28 THR HB 1 71 GLY HA3 . . 4.770 4.507 4.049 4.721 . 0 0 "[ . 1 . 2]" 1
251 1 28 THR MG 1 29 VAL H . . 3.730 3.602 3.463 3.700 . 0 0 "[ . 1 . 2]" 1
252 1 28 THR MG 1 40 ASP H . . 5.500 5.217 4.982 5.365 . 0 0 "[ . 1 . 2]" 1
253 1 28 THR MG 1 71 GLY H . . 5.500 5.072 4.788 5.363 . 0 0 "[ . 1 . 2]" 1
254 1 28 THR MG 1 71 GLY HA2 . . 3.860 3.795 3.573 3.863 0.003 20 0 "[ . 1 . 2]" 1
255 1 28 THR MG 1 71 GLY HA3 . . 5.080 4.699 4.304 4.830 . 0 0 "[ . 1 . 2]" 1
256 1 28 THR MG 1 72 GLN H . . 5.380 4.708 4.301 4.922 . 0 0 "[ . 1 . 2]" 1
257 1 28 THR MG 1 72 GLN QB . . 5.340 5.000 4.692 5.160 . 0 0 "[ . 1 . 2]" 1
258 1 28 THR MG 1 73 TYR H . . 4.910 3.670 3.521 3.873 . 0 0 "[ . 1 . 2]" 1
259 1 28 THR MG 1 73 TYR HA . . 3.620 1.985 1.941 2.069 . 0 0 "[ . 1 . 2]" 1
260 1 28 THR MG 1 73 TYR QD . . 3.860 2.661 2.433 3.070 . 0 0 "[ . 1 . 2]" 1
261 1 28 THR MG 1 73 TYR QE . . 4.030 2.832 2.612 3.266 . 0 0 "[ . 1 . 2]" 1
262 1 28 THR MG 1 74 LEU H . . 3.770 3.386 3.105 3.576 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL H 1 29 VAL HB . . 3.420 2.572 2.513 2.675 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL H 1 29 VAL MG1 . . 4.440 3.763 3.757 3.767 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL H 1 29 VAL MG2 . . 3.100 2.206 2.053 2.303 . 0 0 "[ . 1 . 2]" 1
266 1 29 VAL H 1 30 SER H . . 4.940 4.512 4.489 4.587 . 0 0 "[ . 1 . 2]" 1
267 1 29 VAL H 1 39 VAL MG1 . . 4.940 4.388 4.027 4.654 . 0 0 "[ . 1 . 2]" 1
268 1 29 VAL H 1 40 ASP H . . 5.100 4.566 4.394 4.732 . 0 0 "[ . 1 . 2]" 1
269 1 29 VAL H 1 71 GLY H . . 4.490 4.019 3.553 4.495 0.005 11 0 "[ . 1 . 2]" 1
270 1 29 VAL H 1 72 GLN H . . 4.410 4.002 3.477 4.246 . 0 0 "[ . 1 . 2]" 1
271 1 29 VAL HA 1 29 VAL MG1 . . 3.450 2.331 2.216 2.448 . 0 0 "[ . 1 . 2]" 1
272 1 29 VAL HA 1 29 VAL MG2 . . 3.320 2.336 2.253 2.436 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL HA 1 30 SER H . . 3.090 2.144 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
274 1 29 VAL HA 1 31 SER H . . 4.380 3.940 3.837 4.071 . 0 0 "[ . 1 . 2]" 1
275 1 29 VAL HA 1 39 VAL HA . . 3.450 2.513 2.343 2.802 . 0 0 "[ . 1 . 2]" 1
276 1 29 VAL HA 1 39 VAL MG1 . . 4.330 3.749 3.408 4.062 . 0 0 "[ . 1 . 2]" 1
277 1 29 VAL HA 1 39 VAL MG2 . . 3.730 3.607 3.250 3.729 . 0 0 "[ . 1 . 2]" 1
278 1 29 VAL HA 1 40 ASP H . . 4.280 3.443 3.196 3.737 . 0 0 "[ . 1 . 2]" 1
279 1 29 VAL HB 1 70 VAL H . . 5.500 5.202 4.803 5.504 0.004 12 0 "[ . 1 . 2]" 1
280 1 29 VAL HB 1 70 VAL HA . . 3.620 2.915 2.553 3.571 . 0 0 "[ . 1 . 2]" 1
281 1 29 VAL HB 1 70 VAL QG . . 4.610 3.902 3.570 4.529 . 0 0 "[ . 1 . 2]" 1
282 1 29 VAL HB 1 71 GLY H . . 3.830 2.980 2.458 3.689 . 0 0 "[ . 1 . 2]" 1
283 1 29 VAL HB 1 72 GLN H . . 3.750 3.199 2.690 3.459 . 0 0 "[ . 1 . 2]" 1
284 1 29 VAL MG1 1 30 SER H . . 3.670 2.640 2.343 2.798 . 0 0 "[ . 1 . 2]" 1
285 1 29 VAL MG1 1 30 SER QB . . 4.700 4.076 3.913 4.149 . 0 0 "[ . 1 . 2]" 1
286 1 29 VAL MG1 1 31 SER H . . 3.590 2.597 2.329 2.781 . 0 0 "[ . 1 . 2]" 1
287 1 29 VAL MG1 1 37 TYR HB2 . . 4.930 4.690 4.183 4.934 0.004 5 0 "[ . 1 . 2]" 1
288 1 29 VAL MG1 1 37 TYR HB3 . . 3.980 3.199 2.807 3.402 . 0 0 "[ . 1 . 2]" 1
289 1 29 VAL MG1 1 37 TYR QD . . 3.370 3.038 2.747 3.368 . 0 0 "[ . 1 . 2]" 1
290 1 29 VAL MG1 1 37 TYR QE . . 4.650 4.494 4.298 4.653 0.003 10 0 "[ . 1 . 2]" 1
291 1 29 VAL MG1 1 70 VAL HA . . 3.320 2.622 2.251 3.226 . 0 0 "[ . 1 . 2]" 1
292 1 29 VAL MG1 1 71 GLY H . . 3.900 3.578 3.333 3.905 0.005 11 0 "[ . 1 . 2]" 1
293 1 29 VAL MG1 1 72 GLN H . . 5.500 4.448 4.055 4.660 . 0 0 "[ . 1 . 2]" 1
294 1 29 VAL MG1 1 72 GLN QB . . 5.340 4.994 3.927 5.306 . 0 0 "[ . 1 . 2]" 1
295 1 29 VAL MG2 1 30 SER H . . 4.340 4.076 3.956 4.139 . 0 0 "[ . 1 . 2]" 1
296 1 29 VAL MG2 1 39 VAL HA . . 4.510 3.748 3.493 4.016 . 0 0 "[ . 1 . 2]" 1
297 1 29 VAL MG2 1 72 GLN H . . 4.280 4.025 3.766 4.280 . 0 0 "[ . 1 . 2]" 1
298 1 29 VAL MG2 1 72 GLN HB2 . . 4.850 4.481 4.054 4.850 . 4 0 "[ . 1 . 2]" 1
299 1 29 VAL MG2 1 72 GLN QB . . 4.220 3.872 2.561 4.181 . 0 0 "[ . 1 . 2]" 1
300 1 29 VAL MG2 1 72 GLN HB3 . . 4.850 4.271 2.589 4.569 . 0 0 "[ . 1 . 2]" 1
301 1 29 VAL MG2 1 74 LEU MD2 . . 3.240 2.280 1.947 2.542 . 0 0 "[ . 1 . 2]" 1
302 1 29 VAL MG2 1 74 LEU HG . . 4.360 4.336 4.155 4.371 0.011 11 0 "[ . 1 . 2]" 1
303 1 30 SER H 1 30 SER HB2 . . 3.680 2.761 2.393 2.994 . 0 0 "[ . 1 . 2]" 1
304 1 30 SER H 1 30 SER HB3 . . 3.680 2.490 2.380 2.834 . 0 0 "[ . 1 . 2]" 1
305 1 30 SER H 1 31 SER H . . 3.130 2.341 2.014 2.407 . 0 0 "[ . 1 . 2]" 1
306 1 30 SER H 1 38 LEU H . . 5.500 4.549 4.193 4.709 . 0 0 "[ . 1 . 2]" 1
307 1 30 SER H 1 39 VAL H . . 5.500 4.650 4.384 4.834 . 0 0 "[ . 1 . 2]" 1
308 1 30 SER H 1 39 VAL HA . . 3.700 3.103 2.777 3.354 . 0 0 "[ . 1 . 2]" 1
309 1 30 SER H 1 39 VAL MG2 . . 4.660 4.585 4.334 4.662 0.002 8 0 "[ . 1 . 2]" 1
310 1 30 SER H 1 40 ASP H . . 4.490 3.658 3.326 4.142 . 0 0 "[ . 1 . 2]" 1
311 1 30 SER HA 1 71 GLY H . . 4.800 3.697 3.174 4.009 . 0 0 "[ . 1 . 2]" 1
312 1 30 SER QB 1 31 SER H . . 3.560 2.555 2.462 2.744 . 0 0 "[ . 1 . 2]" 1
313 1 30 SER QB 1 38 LEU QB . . 3.970 2.489 2.259 2.718 . 0 0 "[ . 1 . 2]" 1
314 1 30 SER QB 1 38 LEU MD1 . . 3.970 3.809 3.407 3.972 0.002 12 0 "[ . 1 . 2]" 1
315 1 30 SER QB 1 38 LEU HG . . 4.580 4.262 3.896 4.570 . 0 0 "[ . 1 . 2]" 1
316 1 30 SER QB 1 39 VAL HA . . 4.290 4.165 3.801 4.296 0.006 3 0 "[ . 1 . 2]" 1
317 1 30 SER QB 1 40 ASP H . . 4.190 3.823 3.511 4.165 . 0 0 "[ . 1 . 2]" 1
318 1 30 SER QB 1 40 ASP HB2 . . 4.060 2.761 2.398 2.995 . 0 0 "[ . 1 . 2]" 1
319 1 30 SER QB 1 40 ASP HB3 . . 4.680 4.409 4.040 4.646 . 0 0 "[ . 1 . 2]" 1
320 1 30 SER HB2 1 31 SER H . . 4.100 3.878 3.577 4.008 . 0 0 "[ . 1 . 2]" 1
321 1 30 SER HB2 1 39 VAL HA . . 4.930 4.649 4.022 4.873 . 0 0 "[ . 1 . 2]" 1
322 1 30 SER HB2 1 40 ASP HB2 . . 4.650 2.794 2.418 3.042 . 0 0 "[ . 1 . 2]" 1
323 1 30 SER HB3 1 31 SER H . . 4.100 2.593 2.493 2.794 . 0 0 "[ . 1 . 2]" 1
324 1 30 SER HB3 1 39 VAL HA . . 4.930 4.722 4.264 4.929 . 0 0 "[ . 1 . 2]" 1
325 1 30 SER HB3 1 40 ASP HB2 . . 4.650 4.340 3.963 4.627 . 0 0 "[ . 1 . 2]" 1
326 1 31 SER H 1 31 SER QB . . 3.640 2.950 2.761 3.295 . 0 0 "[ . 1 . 2]" 1
327 1 31 SER H 1 32 LEU H . . 4.810 4.350 4.327 4.359 . 0 0 "[ . 1 . 2]" 1
328 1 31 SER H 1 37 TYR HA . . 5.480 5.417 5.125 5.482 0.002 9 0 "[ . 1 . 2]" 1
329 1 31 SER H 1 38 LEU H . . 3.660 3.539 3.330 3.648 . 0 0 "[ . 1 . 2]" 1
330 1 31 SER H 1 38 LEU HB2 . . 4.210 2.468 2.110 2.685 . 0 0 "[ . 1 . 2]" 1
331 1 31 SER H 1 38 LEU QB . . 3.540 2.389 2.044 2.605 . 0 0 "[ . 1 . 2]" 1
332 1 31 SER H 1 38 LEU HB3 . . 4.210 3.201 2.742 3.510 . 0 0 "[ . 1 . 2]" 1
333 1 31 SER H 1 70 VAL MG1 . . 5.360 4.364 3.926 5.049 . 0 0 "[ . 1 . 2]" 1
334 1 31 SER H 1 70 VAL QG . . 4.480 3.751 3.391 4.464 . 0 0 "[ . 1 . 2]" 1
335 1 31 SER H 1 70 VAL MG2 . . 5.360 4.128 3.498 4.975 . 0 0 "[ . 1 . 2]" 1
336 1 31 SER H 1 71 GLY H . . 5.500 5.497 5.453 5.508 0.008 5 0 "[ . 1 . 2]" 1
337 1 31 SER HA 1 32 LEU H . . 2.900 2.325 2.284 2.332 . 0 0 "[ . 1 . 2]" 1
338 1 31 SER HA 1 70 VAL QG . . 3.320 2.228 1.790 2.903 . 0 0 "[ . 1 . 2]" 1
339 1 31 SER QB 1 32 LEU H . . 3.260 2.773 2.577 3.307 0.047 11 0 "[ . 1 . 2]" 1
340 1 31 SER QB 1 32 LEU QD . . 4.440 4.097 3.773 4.287 . 0 0 "[ . 1 . 2]" 1
341 1 31 SER QB 1 38 LEU QB . . 4.020 3.115 2.412 3.958 . 0 0 "[ . 1 . 2]" 1
342 1 31 SER QB 1 70 VAL QG . . 4.350 3.603 3.243 4.159 . 0 0 "[ . 1 . 2]" 1
343 1 31 SER HB2 1 32 LEU H . . 4.060 3.526 2.620 4.064 0.004 15 0 "[ . 1 . 2]" 1
344 1 31 SER HB3 1 32 LEU H . . 4.060 3.237 2.621 4.022 . 0 0 "[ . 1 . 2]" 1
345 1 32 LEU H 1 32 LEU HB2 . . 3.840 2.400 2.295 2.755 . 0 0 "[ . 1 . 2]" 1
346 1 32 LEU H 1 32 LEU QB . . 3.260 2.367 2.269 2.690 . 0 0 "[ . 1 . 2]" 1
347 1 32 LEU H 1 32 LEU HB3 . . 3.840 3.614 3.564 3.761 . 0 0 "[ . 1 . 2]" 1
348 1 32 LEU H 1 32 LEU MD1 . . 4.630 3.006 2.124 4.063 . 0 0 "[ . 1 . 2]" 1
349 1 32 LEU H 1 32 LEU QD . . 4.060 2.435 2.018 2.987 . 0 0 "[ . 1 . 2]" 1
350 1 32 LEU H 1 32 LEU MD2 . . 4.630 3.555 2.024 4.355 . 0 0 "[ . 1 . 2]" 1
351 1 32 LEU H 1 32 LEU HG . . 4.410 3.822 2.384 4.264 . 0 0 "[ . 1 . 2]" 1
352 1 32 LEU H 1 33 GLU H . . 4.530 4.406 4.276 4.511 . 0 0 "[ . 1 . 2]" 1
353 1 32 LEU H 1 70 VAL QG . . 4.110 3.212 2.814 4.067 . 0 0 "[ . 1 . 2]" 1
354 1 32 LEU HA 1 32 LEU QD . . 3.670 2.473 1.928 2.894 . 0 0 "[ . 1 . 2]" 1
355 1 32 LEU HA 1 33 GLU H . . 3.090 2.153 2.141 2.200 . 0 0 "[ . 1 . 2]" 1
356 1 32 LEU HA 1 37 TYR HA . . 3.890 3.067 2.760 3.420 . 0 0 "[ . 1 . 2]" 1
357 1 32 LEU HA 1 37 TYR QD . . 4.080 2.749 2.000 3.698 . 0 0 "[ . 1 . 2]" 1
358 1 32 LEU QB 1 37 TYR QE . . 4.530 3.205 2.017 4.406 . 0 0 "[ . 1 . 2]" 1
359 1 32 LEU QD 1 33 GLU H . . 4.200 3.905 3.285 4.210 0.010 9 0 "[ . 1 . 2]" 1
360 1 32 LEU QD 1 37 TYR QD . . 4.610 2.612 1.781 3.278 . 0 0 "[ . 1 . 2]" 1
361 1 32 LEU QD 1 37 TYR QE . . 3.620 2.055 1.782 2.492 . 0 0 "[ . 1 . 2]" 1
362 1 32 LEU QD 1 68 LEU H . . 4.600 2.690 2.018 3.540 . 0 0 "[ . 1 . 2]" 1
363 1 32 LEU QD 1 68 LEU QB . . 3.960 2.005 1.838 2.251 . 0 0 "[ . 1 . 2]" 1
364 1 32 LEU QD 1 69 LYS H . . 4.650 3.424 3.034 4.095 . 0 0 "[ . 1 . 2]" 1
365 1 32 LEU MD1 1 33 GLU H . . 4.840 4.397 3.351 4.841 0.001 16 0 "[ . 1 . 2]" 1
366 1 32 LEU MD1 1 37 TYR QE . . 4.610 3.130 1.784 4.158 . 0 0 "[ . 1 . 2]" 1
367 1 32 LEU MD2 1 33 GLU H . . 4.840 4.568 3.794 4.832 . 0 0 "[ . 1 . 2]" 1
368 1 32 LEU MD2 1 37 TYR QE . . 4.610 2.714 1.903 4.544 . 0 0 "[ . 1 . 2]" 1
369 1 32 LEU HG 1 33 GLU H . . 5.500 4.638 4.086 5.496 . 0 0 "[ . 1 . 2]" 1
370 1 32 LEU HG 1 37 TYR QD . . 4.860 3.052 1.999 4.547 . 0 0 "[ . 1 . 2]" 1
371 1 32 LEU HG 1 37 TYR QE . . 4.310 3.021 2.131 4.308 . 0 0 "[ . 1 . 2]" 1
372 1 32 LEU HG 1 68 LEU H . . 5.430 4.685 3.841 5.432 0.002 15 0 "[ . 1 . 2]" 1
373 1 33 GLU H 1 33 GLU HB2 . . 4.130 2.453 2.242 2.824 . 0 0 "[ . 1 . 2]" 1
374 1 33 GLU H 1 33 GLU QB . . 3.460 2.416 2.217 2.754 . 0 0 "[ . 1 . 2]" 1
375 1 33 GLU H 1 33 GLU HB3 . . 4.130 3.638 3.503 3.827 . 0 0 "[ . 1 . 2]" 1
376 1 33 GLU H 1 33 GLU QG . . 3.890 3.077 2.614 3.366 . 0 0 "[ . 1 . 2]" 1
377 1 33 GLU H 1 36 GLY H . . 4.280 3.957 3.823 4.254 . 0 0 "[ . 1 . 2]" 1
378 1 33 GLU H 1 37 TYR HA . . 3.840 2.642 2.459 2.903 . 0 0 "[ . 1 . 2]" 1
379 1 33 GLU H 1 38 LEU H . . 4.310 3.738 3.330 4.172 . 0 0 "[ . 1 . 2]" 1
380 1 33 GLU H 1 38 LEU MD2 . . 5.500 3.811 3.311 4.256 . 0 0 "[ . 1 . 2]" 1
381 1 33 GLU QB 1 34 ASP H . . 3.410 2.685 2.318 3.052 . 0 0 "[ . 1 . 2]" 1
382 1 33 GLU QB 1 35 HIS H . . 4.520 2.346 2.228 2.559 . 0 0 "[ . 1 . 2]" 1
383 1 33 GLU QB 1 36 GLY H . . 3.680 2.229 2.003 2.476 . 0 0 "[ . 1 . 2]" 1
384 1 33 GLU QB 1 49 PHE QE . . 3.950 3.384 3.059 3.646 . 0 0 "[ . 1 . 2]" 1
385 1 33 GLU HB2 1 34 ASP H . . 4.250 3.933 3.383 4.251 0.001 6 0 "[ . 1 . 2]" 1
386 1 33 GLU HB2 1 36 GLY H . . 4.320 2.541 2.020 2.878 . 0 0 "[ . 1 . 2]" 1
387 1 33 GLU HB2 1 49 PHE QE . . 4.700 3.710 3.390 3.942 . 0 0 "[ . 1 . 2]" 1
388 1 33 GLU HB3 1 34 ASP H . . 4.250 2.736 2.360 3.128 . 0 0 "[ . 1 . 2]" 1
389 1 33 GLU HB3 1 36 GLY H . . 4.320 2.636 2.122 3.327 . 0 0 "[ . 1 . 2]" 1
390 1 33 GLU HB3 1 49 PHE QE . . 4.700 3.999 3.306 4.664 . 0 0 "[ . 1 . 2]" 1
391 1 33 GLU QG 1 34 ASP H . . 4.640 4.083 3.476 4.388 . 0 0 "[ . 1 . 2]" 1
392 1 33 GLU QG 1 36 GLY H . . 4.900 4.172 3.891 4.583 . 0 0 "[ . 1 . 2]" 1
393 1 33 GLU QG 1 38 LEU H . . 4.620 4.014 3.308 4.414 . 0 0 "[ . 1 . 2]" 1
394 1 33 GLU QG 1 38 LEU MD2 . . 3.880 2.076 1.780 2.363 . 0 0 "[ . 1 . 2]" 1
395 1 33 GLU QG 1 38 LEU HG . . 4.220 3.492 2.934 3.898 . 0 0 "[ . 1 . 2]" 1
396 1 33 GLU QG 1 49 PHE QD . . 5.230 4.452 3.651 5.138 . 0 0 "[ . 1 . 2]" 1
397 1 33 GLU QG 1 49 PHE QE . . 4.750 4.388 3.755 4.749 . 0 0 "[ . 1 . 2]" 1
398 1 34 ASP H 1 34 ASP HB2 . . 3.940 2.814 2.206 3.618 . 0 0 "[ . 1 . 2]" 1
399 1 34 ASP H 1 34 ASP HB3 . . 3.940 2.972 2.190 3.607 . 0 0 "[ . 1 . 2]" 1
400 1 34 ASP H 1 35 HIS H . . 4.990 2.504 2.302 2.688 . 0 0 "[ . 1 . 2]" 1
401 1 34 ASP H 1 36 GLY H . . 4.720 3.981 3.716 4.342 . 0 0 "[ . 1 . 2]" 1
402 1 34 ASP QB 1 35 HIS HD2 . . 4.570 3.439 2.366 4.332 . 0 0 "[ . 1 . 2]" 1
403 1 35 HIS H 1 36 GLY H . . 3.680 2.217 2.137 2.389 . 0 0 "[ . 1 . 2]" 1
404 1 35 HIS QB 1 49 PHE QE . . 4.670 2.839 2.127 3.540 . 0 0 "[ . 1 . 2]" 1
405 1 35 HIS QB 1 49 PHE HZ . . 4.090 3.011 2.335 3.525 . 0 0 "[ . 1 . 2]" 1
406 1 35 HIS HB2 1 49 PHE QE . . 5.430 3.063 2.161 3.810 . 0 0 "[ . 1 . 2]" 1
407 1 35 HIS HB2 1 49 PHE HZ . . 4.700 3.812 2.979 4.707 0.007 10 0 "[ . 1 . 2]" 1
408 1 35 HIS HB3 1 49 PHE QE . . 5.430 3.559 2.470 4.914 . 0 0 "[ . 1 . 2]" 1
409 1 35 HIS HB3 1 49 PHE HZ . . 4.700 3.344 2.363 4.699 . 0 0 "[ . 1 . 2]" 1
410 1 36 GLY H 1 49 PHE QE . . 4.610 3.002 2.509 3.535 . 0 0 "[ . 1 . 2]" 1
411 1 36 GLY H 1 52 LEU MD1 . . 4.780 3.710 3.466 4.017 . 0 0 "[ . 1 . 2]" 1
412 1 36 GLY H 1 52 LEU QD . . 4.180 3.318 2.768 3.563 . 0 0 "[ . 1 . 2]" 1
413 1 36 GLY H 1 52 LEU MD2 . . 4.780 3.821 2.911 4.716 . 0 0 "[ . 1 . 2]" 1
414 1 36 GLY H 1 52 LEU HG . . 4.240 3.764 3.443 4.113 . 0 0 "[ . 1 . 2]" 1
415 1 36 GLY HA2 1 37 TYR QD . . 4.830 3.508 2.949 4.327 . 0 0 "[ . 1 . 2]" 1
416 1 36 GLY HA2 1 49 PHE HZ . . 4.900 3.420 3.269 3.748 . 0 0 "[ . 1 . 2]" 1
417 1 36 GLY HA2 1 51 PRO HA . . 4.760 3.976 3.435 4.302 . 0 0 "[ . 1 . 2]" 1
418 1 36 GLY HA2 1 52 LEU H . . 4.010 3.325 2.948 3.623 . 0 0 "[ . 1 . 2]" 1
419 1 36 GLY HA2 1 52 LEU HA . . 4.220 3.552 3.274 3.895 . 0 0 "[ . 1 . 2]" 1
420 1 36 GLY HA2 1 52 LEU HB2 . . 4.540 4.246 4.023 4.436 . 0 0 "[ . 1 . 2]" 1
421 1 36 GLY HA2 1 52 LEU MD1 . . 4.850 3.453 3.088 3.740 . 0 0 "[ . 1 . 2]" 1
422 1 36 GLY HA2 1 52 LEU QD . . 4.110 2.430 1.925 2.905 . 0 0 "[ . 1 . 2]" 1
423 1 36 GLY HA2 1 52 LEU MD2 . . 4.850 2.521 1.936 3.364 . 0 0 "[ . 1 . 2]" 1
424 1 36 GLY HA2 1 52 LEU HG . . 3.790 2.014 1.992 2.223 . 0 0 "[ . 1 . 2]" 1
425 1 36 GLY HA3 1 37 TYR H . . 3.490 2.359 2.250 2.465 . 0 0 "[ . 1 . 2]" 1
426 1 36 GLY HA3 1 37 TYR QD . . 5.500 4.464 3.659 5.104 . 0 0 "[ . 1 . 2]" 1
427 1 36 GLY HA3 1 49 PHE QD . . 5.210 3.746 3.536 4.032 . 0 0 "[ . 1 . 2]" 1
428 1 36 GLY HA3 1 49 PHE QE . . 4.710 2.295 2.007 2.583 . 0 0 "[ . 1 . 2]" 1
429 1 36 GLY HA3 1 49 PHE HZ . . 4.580 2.420 2.146 2.643 . 0 0 "[ . 1 . 2]" 1
430 1 36 GLY HA3 1 51 PRO HA . . 3.930 3.840 3.558 3.937 0.007 16 0 "[ . 1 . 2]" 1
431 1 36 GLY HA3 1 52 LEU H . . 4.190 4.092 3.974 4.193 0.003 9 0 "[ . 1 . 2]" 1
432 1 36 GLY HA3 1 52 LEU HG . . 4.620 3.479 3.256 3.736 . 0 0 "[ . 1 . 2]" 1
433 1 37 TYR H 1 37 TYR HB2 . . 3.850 2.613 2.487 2.793 . 0 0 "[ . 1 . 2]" 1
434 1 37 TYR H 1 37 TYR QD . . 3.700 3.110 2.415 3.592 . 0 0 "[ . 1 . 2]" 1
435 1 37 TYR H 1 38 LEU MD2 . . 4.910 4.000 3.825 4.135 . 0 0 "[ . 1 . 2]" 1
436 1 37 TYR H 1 49 PHE QD . . 4.700 4.303 3.883 4.530 . 0 0 "[ . 1 . 2]" 1
437 1 37 TYR H 1 50 LEU H . . 4.150 2.781 2.207 3.531 . 0 0 "[ . 1 . 2]" 1
438 1 37 TYR H 1 50 LEU QB . . 4.230 2.668 2.090 3.258 . 0 0 "[ . 1 . 2]" 1
439 1 37 TYR H 1 50 LEU QD . . 5.210 3.800 3.121 4.389 . 0 0 "[ . 1 . 2]" 1
440 1 37 TYR H 1 52 LEU HG . . 5.080 4.695 4.306 4.970 . 0 0 "[ . 1 . 2]" 1
441 1 37 TYR H 1 55 ALA MB . . 5.440 4.265 3.895 5.060 . 0 0 "[ . 1 . 2]" 1
442 1 37 TYR HA 1 37 TYR QD . . 4.010 2.811 2.305 3.159 . 0 0 "[ . 1 . 2]" 1
443 1 37 TYR HA 1 38 LEU H . . 3.140 2.172 2.145 2.203 . 0 0 "[ . 1 . 2]" 1
444 1 37 TYR HB2 1 38 LEU H . . 4.740 4.188 3.986 4.272 . 0 0 "[ . 1 . 2]" 1
445 1 37 TYR HB2 1 39 VAL MG2 . . 4.310 3.915 3.768 4.084 . 0 0 "[ . 1 . 2]" 1
446 1 37 TYR HB2 1 50 LEU H . . 4.920 4.100 3.754 4.409 . 0 0 "[ . 1 . 2]" 1
447 1 37 TYR HB2 1 50 LEU HB2 . . 4.480 3.704 2.682 4.483 0.003 13 0 "[ . 1 . 2]" 1
448 1 37 TYR HB2 1 50 LEU QB . . 3.710 2.334 1.964 2.858 . 0 0 "[ . 1 . 2]" 1
449 1 37 TYR HB2 1 50 LEU HB3 . . 4.480 2.362 1.998 2.891 . 0 0 "[ . 1 . 2]" 1
450 1 37 TYR HB2 1 50 LEU QD . . 4.480 2.782 2.084 3.413 . 0 0 "[ . 1 . 2]" 1
451 1 37 TYR HB3 1 38 LEU H . . 4.170 3.171 3.009 3.336 . 0 0 "[ . 1 . 2]" 1
452 1 37 TYR HB3 1 39 VAL MG2 . . 4.310 3.764 3.520 4.179 . 0 0 "[ . 1 . 2]" 1
453 1 37 TYR HB3 1 50 LEU QB . . 4.250 3.710 3.383 4.087 . 0 0 "[ . 1 . 2]" 1
454 1 37 TYR HB3 1 50 LEU QD . . 4.790 3.915 3.107 4.791 0.001 18 0 "[ . 1 . 2]" 1
455 1 37 TYR QD 1 38 LEU H . . 4.740 3.893 3.548 4.356 . 0 0 "[ . 1 . 2]" 1
456 1 37 TYR QD 1 50 LEU QB . . 4.370 3.467 2.681 4.258 . 0 0 "[ . 1 . 2]" 1
457 1 37 TYR QD 1 50 LEU QD . . 3.930 3.058 2.304 3.528 . 0 0 "[ . 1 . 2]" 1
458 1 37 TYR QD 1 50 LEU HG . . 4.370 4.146 3.548 4.378 0.008 10 0 "[ . 1 . 2]" 1
459 1 37 TYR QD 1 52 LEU HA . . 4.710 3.378 2.986 3.734 . 0 0 "[ . 1 . 2]" 1
460 1 37 TYR QD 1 55 ALA HA . . 5.500 4.629 4.239 5.336 . 0 0 "[ . 1 . 2]" 1
461 1 37 TYR QD 1 55 ALA MB . . 3.610 2.142 1.877 2.782 . 0 0 "[ . 1 . 2]" 1
462 1 37 TYR QD 1 59 ILE MD . . 4.540 3.678 3.366 4.182 . 0 0 "[ . 1 . 2]" 1
463 1 37 TYR QD 1 68 LEU MD1 . . 4.130 2.689 2.245 3.434 . 0 0 "[ . 1 . 2]" 1
464 1 37 TYR QD 1 74 LEU MD2 . . 5.050 4.245 3.865 4.579 . 0 0 "[ . 1 . 2]" 1
465 1 37 TYR QE 1 52 LEU HA . . 4.090 3.137 2.472 3.722 . 0 0 "[ . 1 . 2]" 1
466 1 37 TYR QE 1 52 LEU MD1 . . 4.650 4.520 4.241 4.654 0.004 1 0 "[ . 1 . 2]" 1
467 1 37 TYR QE 1 52 LEU QD . . 3.950 2.076 1.819 2.370 . 0 0 "[ . 1 . 2]" 1
468 1 37 TYR QE 1 52 LEU MD2 . . 4.650 2.079 1.821 2.378 . 0 0 "[ . 1 . 2]" 1
469 1 37 TYR QE 1 55 ALA MB . . 3.320 2.175 1.945 2.462 . 0 0 "[ . 1 . 2]" 1
470 1 37 TYR QE 1 59 ILE MD . . 3.900 2.625 2.344 2.993 . 0 0 "[ . 1 . 2]" 1
471 1 37 TYR QE 1 67 LYS QB . . 5.190 4.661 4.186 5.191 0.001 18 0 "[ . 1 . 2]" 1
472 1 37 TYR QE 1 68 LEU H . . 4.110 3.228 2.631 4.060 . 0 0 "[ . 1 . 2]" 1
473 1 37 TYR QE 1 68 LEU QB . . 3.760 2.782 2.156 3.695 . 0 0 "[ . 1 . 2]" 1
474 1 37 TYR QE 1 68 LEU MD1 . . 4.240 2.665 2.313 3.214 . 0 0 "[ . 1 . 2]" 1
475 1 37 TYR QE 1 68 LEU HG . . 4.850 3.574 2.843 4.387 . 0 0 "[ . 1 . 2]" 1
476 1 38 LEU H 1 38 LEU HB2 . . 3.620 2.209 2.188 2.268 . 0 0 "[ . 1 . 2]" 1
477 1 38 LEU H 1 38 LEU QB . . 3.160 2.187 2.166 2.242 . 0 0 "[ . 1 . 2]" 1
478 1 38 LEU H 1 38 LEU HB3 . . 3.620 3.499 3.483 3.533 . 0 0 "[ . 1 . 2]" 1
479 1 38 LEU H 1 38 LEU HG . . 4.130 3.997 3.939 4.064 . 0 0 "[ . 1 . 2]" 1
480 1 38 LEU HA 1 38 LEU MD1 . . 3.560 2.346 2.169 2.481 . 0 0 "[ . 1 . 2]" 1
481 1 38 LEU HA 1 38 LEU MD2 . . 3.530 2.080 1.981 2.217 . 0 0 "[ . 1 . 2]" 1
482 1 38 LEU HA 1 39 VAL H . . 3.200 2.160 2.145 2.174 . 0 0 "[ . 1 . 2]" 1
483 1 38 LEU HA 1 39 VAL HB . . 4.760 4.690 4.634 4.763 0.003 12 0 "[ . 1 . 2]" 1
484 1 38 LEU HA 1 39 VAL MG2 . . 4.050 3.580 3.432 3.687 . 0 0 "[ . 1 . 2]" 1
485 1 38 LEU HA 1 49 PHE HA . . 3.790 3.232 2.845 3.572 . 0 0 "[ . 1 . 2]" 1
486 1 38 LEU QB 1 38 LEU MD2 . . 2.900 2.441 2.383 2.475 . 0 0 "[ . 1 . 2]" 1
487 1 38 LEU QB 1 39 VAL H . . 3.980 3.200 3.120 3.319 . 0 0 "[ . 1 . 2]" 1
488 1 38 LEU HB2 1 38 LEU MD2 . . 3.340 2.538 2.461 2.585 . 0 0 "[ . 1 . 2]" 1
489 1 38 LEU HB3 1 38 LEU MD2 . . 3.340 3.174 3.164 3.184 . 0 0 "[ . 1 . 2]" 1
490 1 38 LEU MD1 1 39 VAL H . . 3.980 3.150 2.945 3.239 . 0 0 "[ . 1 . 2]" 1
491 1 38 LEU MD1 1 49 PHE HA . . 4.050 3.372 2.975 3.691 . 0 0 "[ . 1 . 2]" 1
492 1 38 LEU MD1 1 49 PHE HB2 . . 4.540 3.737 3.307 4.132 . 0 0 "[ . 1 . 2]" 1
493 1 38 LEU MD1 1 49 PHE QD . . 4.150 3.912 3.484 4.151 0.001 6 0 "[ . 1 . 2]" 1
494 1 38 LEU MD2 1 39 VAL H . . 4.090 3.987 3.885 4.067 . 0 0 "[ . 1 . 2]" 1
495 1 38 LEU MD2 1 49 PHE HA . . 4.180 3.241 2.766 3.720 . 0 0 "[ . 1 . 2]" 1
496 1 38 LEU MD2 1 49 PHE HB2 . . 4.200 3.685 3.288 3.966 . 0 0 "[ . 1 . 2]" 1
497 1 38 LEU MD2 1 49 PHE QD . . 3.740 2.700 2.505 2.791 . 0 0 "[ . 1 . 2]" 1
498 1 38 LEU MD2 1 49 PHE QE . . 4.720 3.834 3.546 4.074 . 0 0 "[ . 1 . 2]" 1
499 1 38 LEU HG 1 49 PHE QD . . 5.500 5.451 5.154 5.503 0.003 12 0 "[ . 1 . 2]" 1
500 1 39 VAL H 1 39 VAL HB . . 3.600 2.668 2.619 2.729 . 0 0 "[ . 1 . 2]" 1
501 1 39 VAL H 1 39 VAL MG2 . . 3.650 2.637 2.468 2.742 . 0 0 "[ . 1 . 2]" 1
502 1 39 VAL H 1 50 LEU H . . 5.470 4.748 4.295 5.370 . 0 0 "[ . 1 . 2]" 1
503 1 39 VAL HA 1 39 VAL MG1 . . 3.470 2.268 2.170 2.386 . 0 0 "[ . 1 . 2]" 1
504 1 39 VAL HA 1 39 VAL MG2 . . 3.470 2.378 2.314 2.461 . 0 0 "[ . 1 . 2]" 1
505 1 39 VAL HA 1 40 ASP H . . 3.380 2.191 2.153 2.242 . 0 0 "[ . 1 . 2]" 1
506 1 39 VAL HB 1 41 ILE MG . . 4.250 3.616 3.394 3.866 . 0 0 "[ . 1 . 2]" 1
507 1 39 VAL MG1 1 40 ASP H . . 3.610 2.277 1.935 2.616 . 0 0 "[ . 1 . 2]" 1
508 1 39 VAL MG1 1 41 ILE MG . . 3.040 2.945 2.729 3.040 . 0 0 "[ . 1 . 2]" 1
509 1 39 VAL MG2 1 40 ASP H . . 4.690 4.030 3.940 4.113 . 0 0 "[ . 1 . 2]" 1
510 1 39 VAL MG2 1 49 PHE HA . . 4.660 4.293 3.781 4.660 0.000 11 0 "[ . 1 . 2]" 1
511 1 39 VAL MG2 1 50 LEU H . . 4.440 3.951 3.434 4.443 0.003 12 0 "[ . 1 . 2]" 1
512 1 39 VAL MG2 1 50 LEU QB . . 4.170 2.641 2.386 3.266 . 0 0 "[ . 1 . 2]" 1
513 1 39 VAL MG2 1 50 LEU HG . . 4.790 4.616 3.720 4.799 0.009 3 0 "[ . 1 . 2]" 1
514 1 40 ASP H 1 40 ASP HB2 . . 3.520 2.405 2.335 2.540 . 0 0 "[ . 1 . 2]" 1
515 1 40 ASP H 1 40 ASP HB3 . . 3.560 2.808 2.705 2.845 . 0 0 "[ . 1 . 2]" 1
516 1 40 ASP HA 1 41 ILE H . . 2.980 2.166 2.142 2.189 . 0 0 "[ . 1 . 2]" 1
517 1 41 ILE H 1 41 ILE MD . . 4.270 3.763 3.638 3.862 . 0 0 "[ . 1 . 2]" 1
518 1 41 ILE H 1 41 ILE HG12 . . 3.950 2.094 1.906 2.286 . 0 0 "[ . 1 . 2]" 1
519 1 41 ILE H 1 41 ILE QG . . 3.410 2.033 1.875 2.169 . 0 0 "[ . 1 . 2]" 1
520 1 41 ILE H 1 41 ILE HG13 . . 3.950 2.781 2.645 2.881 . 0 0 "[ . 1 . 2]" 1
521 1 41 ILE H 1 41 ILE MG . . 3.870 3.133 2.955 3.334 . 0 0 "[ . 1 . 2]" 1
522 1 41 ILE H 1 42 GLY H . . 3.530 1.837 1.796 1.905 . 0 0 "[ . 1 . 2]" 1
523 1 41 ILE H 1 43 VAL H . . 4.280 3.891 3.614 4.073 . 0 0 "[ . 1 . 2]" 1
524 1 41 ILE HB 1 41 ILE MD . . 3.220 2.415 2.305 2.551 . 0 0 "[ . 1 . 2]" 1
525 1 41 ILE HB 1 43 VAL MG2 . . 4.670 2.625 2.157 3.047 . 0 0 "[ . 1 . 2]" 1
526 1 41 ILE MD 1 42 GLY H . . 4.850 4.127 3.903 4.490 . 0 0 "[ . 1 . 2]" 1
527 1 41 ILE MD 1 43 VAL H . . 4.690 3.634 3.179 4.198 . 0 0 "[ . 1 . 2]" 1
528 1 41 ILE MD 1 43 VAL HB . . 4.130 2.456 1.942 3.121 . 0 0 "[ . 1 . 2]" 1
529 1 41 ILE MD 1 46 THR HB . . 3.710 2.499 2.088 3.722 0.012 11 0 "[ . 1 . 2]" 1
530 1 41 ILE MD 1 46 THR MG . . 3.050 2.000 1.737 2.370 . 0 0 "[ . 1 . 2]" 1
531 1 41 ILE MD 1 48 ALA MB . . 3.260 2.452 1.918 2.981 . 0 0 "[ . 1 . 2]" 1
532 1 41 ILE QG 1 42 GLY H . . 4.030 2.428 2.180 2.822 . 0 0 "[ . 1 . 2]" 1
533 1 41 ILE QG 1 43 VAL H . . 3.620 2.356 1.947 2.779 . 0 0 "[ . 1 . 2]" 1
534 1 41 ILE QG 1 43 VAL HB . . 3.850 2.763 2.589 2.998 . 0 0 "[ . 1 . 2]" 1
535 1 41 ILE QG 1 43 VAL MG2 . . 3.860 2.516 2.036 3.039 . 0 0 "[ . 1 . 2]" 1
536 1 41 ILE HG12 1 42 GLY H . . 4.670 3.042 2.777 3.355 . 0 0 "[ . 1 . 2]" 1
537 1 41 ILE HG12 1 43 VAL H . . 4.320 3.757 3.385 4.128 . 0 0 "[ . 1 . 2]" 1
538 1 41 ILE HG13 1 42 GLY H . . 4.670 2.560 2.240 3.035 . 0 0 "[ . 1 . 2]" 1
539 1 41 ILE HG13 1 43 VAL H . . 4.320 2.383 1.957 2.839 . 0 0 "[ . 1 . 2]" 1
540 1 41 ILE MG 1 42 GLY H . . 4.610 4.152 4.051 4.259 . 0 0 "[ . 1 . 2]" 1
541 1 41 ILE MG 1 48 ALA H . . 5.500 4.864 4.406 5.499 . 0 0 "[ . 1 . 2]" 1
542 1 41 ILE MG 1 48 ALA MB . . 3.250 2.743 2.275 3.241 . 0 0 "[ . 1 . 2]" 1
543 1 42 GLY H 1 43 VAL H . . 3.600 2.561 2.250 2.744 . 0 0 "[ . 1 . 2]" 1
544 1 42 GLY H 1 43 VAL MG2 . . 5.360 3.851 3.617 4.020 . 0 0 "[ . 1 . 2]" 1
545 1 43 VAL H 1 43 VAL HB . . 3.680 2.790 2.607 2.994 . 0 0 "[ . 1 . 2]" 1
546 1 43 VAL H 1 43 VAL MG2 . . 3.640 2.826 2.589 3.058 . 0 0 "[ . 1 . 2]" 1
547 1 43 VAL H 1 44 ASP HA . . 5.040 4.795 4.646 5.009 . 0 0 "[ . 1 . 2]" 1
548 1 43 VAL HA 1 43 VAL MG2 . . 3.050 2.418 2.259 2.535 . 0 0 "[ . 1 . 2]" 1
549 1 43 VAL HA 1 44 ASP H . . 3.120 2.220 2.150 2.326 . 0 0 "[ . 1 . 2]" 1
550 1 43 VAL HA 1 44 ASP QB . . 4.310 4.091 3.991 4.275 . 0 0 "[ . 1 . 2]" 1
551 1 43 VAL HB 1 46 THR H . . 4.680 4.077 3.381 4.609 . 0 0 "[ . 1 . 2]" 1
552 1 43 VAL HB 1 46 THR HB . . 3.790 2.372 2.098 3.720 . 0 0 "[ . 1 . 2]" 1
553 1 43 VAL HB 1 46 THR MG . . 3.840 3.383 2.324 3.753 . 0 0 "[ . 1 . 2]" 1
554 1 43 VAL MG1 1 44 ASP H . . 4.190 2.154 1.852 2.433 . 0 0 "[ . 1 . 2]" 1
555 1 43 VAL MG1 1 44 ASP QB . . 4.640 3.714 3.481 4.099 . 0 0 "[ . 1 . 2]" 1
556 1 43 VAL MG1 1 45 GLY QA . . 4.860 4.084 3.111 4.423 . 0 0 "[ . 1 . 2]" 1
557 1 43 VAL MG1 1 46 THR H . . 4.290 3.356 2.142 4.164 . 0 0 "[ . 1 . 2]" 1
558 1 43 VAL MG1 1 46 THR HB . . 3.410 2.504 2.189 3.141 . 0 0 "[ . 1 . 2]" 1
559 1 43 VAL MG2 1 46 THR HB . . 4.300 3.607 3.088 4.308 0.008 11 0 "[ . 1 . 2]" 1
560 1 43 VAL MG2 1 46 THR MG . . 4.450 3.580 2.993 3.932 . 0 0 "[ . 1 . 2]" 1
561 1 44 ASP H 1 44 ASP QB . . 3.080 2.281 2.197 2.396 . 0 0 "[ . 1 . 2]" 1
562 1 44 ASP HA 1 45 GLY H . . 3.240 2.189 2.142 2.724 . 0 0 "[ . 1 . 2]" 1
563 1 44 ASP HA 1 46 THR H . . 4.340 4.019 3.749 4.341 0.001 9 0 "[ . 1 . 2]" 1
564 1 44 ASP QB 1 45 GLY H . . 3.980 3.721 3.276 4.009 0.029 11 0 "[ . 1 . 2]" 1
565 1 45 GLY H 1 46 THR H . . 3.460 2.555 2.028 3.330 . 0 0 "[ . 1 . 2]" 1
566 1 46 THR H 1 46 THR HB . . 3.260 2.784 2.423 2.982 . 0 0 "[ . 1 . 2]" 1
567 1 46 THR H 1 46 THR MG . . 3.970 3.815 2.470 3.976 0.006 5 0 "[ . 1 . 2]" 1
568 1 46 THR H 1 47 ARG H . . 4.750 4.263 4.051 4.580 . 0 0 "[ . 1 . 2]" 1
569 1 46 THR HA 1 47 ARG H . . 3.040 2.156 2.144 2.285 . 0 0 "[ . 1 . 2]" 1
570 1 46 THR HB 1 47 ARG H . . 4.350 4.218 4.112 4.297 . 0 0 "[ . 1 . 2]" 1
571 1 46 THR MG 1 47 ARG H . . 3.850 2.600 2.244 3.165 . 0 0 "[ . 1 . 2]" 1
572 1 46 THR MG 1 47 ARG HA . . 4.730 3.684 3.513 3.895 . 0 0 "[ . 1 . 2]" 1
573 1 46 THR MG 1 48 ALA HA . . 4.620 4.356 4.179 4.502 . 0 0 "[ . 1 . 2]" 1
574 1 46 THR MG 1 48 ALA MB . . 3.710 3.451 3.098 3.658 . 0 0 "[ . 1 . 2]" 1
575 1 46 THR MG 1 88 VAL H . . 4.990 4.439 3.765 4.992 0.002 11 0 "[ . 1 . 2]" 1
576 1 46 THR MG 1 88 VAL HB . . 4.620 3.695 3.374 4.161 . 0 0 "[ . 1 . 2]" 1
577 1 47 ARG H 1 47 ARG QB . . 3.380 2.469 2.300 2.772 . 0 0 "[ . 1 . 2]" 1
578 1 47 ARG H 1 47 ARG HG2 . . 4.740 4.132 2.321 4.666 . 0 0 "[ . 1 . 2]" 1
579 1 47 ARG H 1 47 ARG QG . . 4.140 3.421 2.291 4.102 . 0 0 "[ . 1 . 2]" 1
580 1 47 ARG H 1 47 ARG HG3 . . 4.740 3.808 2.688 4.683 . 0 0 "[ . 1 . 2]" 1
581 1 47 ARG H 1 48 ALA H . . 4.650 4.385 4.306 4.432 . 0 0 "[ . 1 . 2]" 1
582 1 47 ARG HA 1 47 ARG QG . . 3.710 2.477 2.213 3.324 . 0 0 "[ . 1 . 2]" 1
583 1 47 ARG HA 1 48 ALA H . . 3.120 2.154 2.141 2.166 . 0 0 "[ . 1 . 2]" 1
584 1 47 ARG HA 1 48 ALA MB . . 4.450 3.909 3.863 3.957 . 0 0 "[ . 1 . 2]" 1
585 1 47 ARG QB 1 47 ARG HD2 . . 3.780 2.585 2.113 3.294 . 0 0 "[ . 1 . 2]" 1
586 1 47 ARG QB 1 47 ARG HD3 . . 3.780 2.682 2.090 3.283 . 0 0 "[ . 1 . 2]" 1
587 1 47 ARG QB 1 48 ALA H . . 4.050 3.417 3.086 3.797 . 0 0 "[ . 1 . 2]" 1
588 1 47 ARG QB 1 87 VAL MG2 . . 3.860 3.507 3.168 3.859 . 0 0 "[ . 1 . 2]" 1
589 1 47 ARG QD 1 87 VAL MG2 . . 4.560 3.834 2.009 4.559 . 0 0 "[ . 1 . 2]" 1
590 1 47 ARG QG 1 48 ALA H . . 4.570 3.536 2.564 4.273 . 0 0 "[ . 1 . 2]" 1
591 1 48 ALA H 1 48 ALA MB . . 3.300 2.394 2.315 2.474 . 0 0 "[ . 1 . 2]" 1
592 1 48 ALA H 1 88 VAL QG . . 4.230 4.191 4.063 4.233 0.003 10 0 "[ . 1 . 2]" 1
593 1 48 ALA H 1 90 LEU QD . . 5.440 4.879 4.300 5.344 . 0 0 "[ . 1 . 2]" 1
594 1 48 ALA HA 1 49 PHE H . . 3.130 2.157 2.143 2.181 . 0 0 "[ . 1 . 2]" 1
595 1 48 ALA HA 1 87 VAL MG1 . . 4.460 3.900 3.295 4.301 . 0 0 "[ . 1 . 2]" 1
596 1 48 ALA HA 1 88 VAL H . . 3.690 2.774 2.371 3.043 . 0 0 "[ . 1 . 2]" 1
597 1 48 ALA HA 1 88 VAL HB . . 3.580 2.191 2.010 2.857 . 0 0 "[ . 1 . 2]" 1
598 1 48 ALA HA 1 88 VAL MG1 . . 4.470 3.729 3.381 4.414 . 0 0 "[ . 1 . 2]" 1
599 1 48 ALA HA 1 88 VAL QG . . 3.490 3.049 2.937 3.149 . 0 0 "[ . 1 . 2]" 1
600 1 48 ALA HA 1 88 VAL MG2 . . 4.470 3.261 3.055 3.474 . 0 0 "[ . 1 . 2]" 1
601 1 48 ALA MB 1 49 PHE H . . 3.960 3.118 2.953 3.233 . 0 0 "[ . 1 . 2]" 1
602 1 48 ALA MB 1 88 VAL H . . 4.400 4.178 3.520 4.406 0.006 3 0 "[ . 1 . 2]" 1
603 1 48 ALA MB 1 88 VAL HB . . 3.660 2.499 2.035 2.688 . 0 0 "[ . 1 . 2]" 1
604 1 48 ALA MB 1 88 VAL QG . . 3.390 2.755 2.462 2.979 . 0 0 "[ . 1 . 2]" 1
605 1 48 ALA MB 1 89 SER H . . 5.500 5.401 4.913 5.504 0.004 16 0 "[ . 1 . 2]" 1
606 1 48 ALA MB 1 89 SER HA . . 5.500 5.250 4.626 5.476 . 0 0 "[ . 1 . 2]" 1
607 1 48 ALA MB 1 90 LEU QD . . 2.820 1.997 1.747 2.429 . 0 0 "[ . 1 . 2]" 1
608 1 48 ALA MB 1 90 LEU HG . . 3.330 2.905 2.546 3.315 . 0 0 "[ . 1 . 2]" 1
609 1 49 PHE H 1 49 PHE HB2 . . 3.780 3.329 3.246 3.393 . 0 0 "[ . 1 . 2]" 1
610 1 49 PHE H 1 49 PHE HB3 . . 3.790 2.591 2.501 2.666 . 0 0 "[ . 1 . 2]" 1
611 1 49 PHE H 1 49 PHE QD . . 4.590 4.025 3.890 4.197 . 0 0 "[ . 1 . 2]" 1
612 1 49 PHE H 1 50 LEU H . . 4.850 4.383 4.264 4.441 . 0 0 "[ . 1 . 2]" 1
613 1 49 PHE H 1 87 VAL MG1 . . 4.190 3.515 3.160 3.875 . 0 0 "[ . 1 . 2]" 1
614 1 49 PHE H 1 88 VAL HB . . 4.630 3.722 3.432 4.327 . 0 0 "[ . 1 . 2]" 1
615 1 49 PHE H 1 90 LEU HB2 . . 4.810 4.482 4.011 4.797 . 0 0 "[ . 1 . 2]" 1
616 1 49 PHE H 1 90 LEU QD . . 4.300 3.755 2.111 4.301 0.001 18 0 "[ . 1 . 2]" 1
617 1 49 PHE H 1 90 LEU HG . . 5.420 4.639 4.210 5.272 . 0 0 "[ . 1 . 2]" 1
618 1 49 PHE HA 1 49 PHE QD . . 3.840 3.097 2.955 3.272 . 0 0 "[ . 1 . 2]" 1
619 1 49 PHE HA 1 50 LEU H . . 3.110 2.199 2.149 2.231 . 0 0 "[ . 1 . 2]" 1
620 1 49 PHE HB2 1 50 LEU H . . 4.590 3.957 3.820 4.120 . 0 0 "[ . 1 . 2]" 1
621 1 49 PHE HB2 1 87 VAL MG1 . . 4.260 3.899 3.279 4.256 . 0 0 "[ . 1 . 2]" 1
622 1 49 PHE HB3 1 50 LEU H . . 4.870 4.170 4.059 4.317 . 0 0 "[ . 1 . 2]" 1
623 1 49 PHE HB3 1 87 VAL MG1 . . 3.890 3.031 2.500 3.352 . 0 0 "[ . 1 . 2]" 1
624 1 49 PHE QD 1 50 LEU H . . 4.740 3.383 3.218 3.644 . 0 0 "[ . 1 . 2]" 1
625 1 49 PHE QD 1 50 LEU HA . . 4.440 3.723 3.261 3.913 . 0 0 "[ . 1 . 2]" 1
626 1 49 PHE QD 1 51 PRO HD3 . . 5.370 3.476 3.261 3.786 . 0 0 "[ . 1 . 2]" 1
627 1 49 PHE QD 1 51 PRO QG . . 5.500 5.004 4.844 5.271 . 0 0 "[ . 1 . 2]" 1
628 1 49 PHE QD 1 87 VAL MG1 . . 4.720 4.145 3.553 4.503 . 0 0 "[ . 1 . 2]" 1
629 1 49 PHE QE 1 51 PRO HA . . 4.290 2.355 2.088 2.675 . 0 0 "[ . 1 . 2]" 1
630 1 49 PHE QE 1 51 PRO HB3 . . 4.310 3.151 2.932 3.251 . 0 0 "[ . 1 . 2]" 1
631 1 49 PHE QE 1 51 PRO QG . . 4.560 4.522 4.200 4.577 0.017 3 0 "[ . 1 . 2]" 1
632 1 49 PHE HZ 1 51 PRO HA . . 4.800 3.175 2.809 3.433 . 0 0 "[ . 1 . 2]" 1
633 1 50 LEU H 1 50 LEU HB2 . . 4.090 2.844 2.597 3.132 . 0 0 "[ . 1 . 2]" 1
634 1 50 LEU H 1 50 LEU QB . . 3.560 2.410 2.287 2.492 . 0 0 "[ . 1 . 2]" 1
635 1 50 LEU H 1 50 LEU HB3 . . 4.090 2.638 2.352 2.921 . 0 0 "[ . 1 . 2]" 1
636 1 50 LEU H 1 50 LEU QD . . 4.400 3.753 3.627 3.860 . 0 0 "[ . 1 . 2]" 1
637 1 50 LEU H 1 50 LEU HG . . 5.100 4.589 4.223 4.883 . 0 0 "[ . 1 . 2]" 1
638 1 50 LEU HA 1 50 LEU MD1 . . 4.780 2.359 1.973 2.862 . 0 0 "[ . 1 . 2]" 1
639 1 50 LEU HA 1 50 LEU QD . . 3.240 2.086 1.892 2.431 . 0 0 "[ . 1 . 2]" 1
640 1 50 LEU HA 1 50 LEU MD2 . . 4.780 3.320 1.944 4.010 . 0 0 "[ . 1 . 2]" 1
641 1 50 LEU HA 1 51 PRO HD2 . . 3.400 2.083 2.038 2.129 . 0 0 "[ . 1 . 2]" 1
642 1 50 LEU HA 1 51 PRO HD3 . . 3.410 2.267 2.255 2.281 . 0 0 "[ . 1 . 2]" 1
643 1 50 LEU HA 1 51 PRO QG . . 4.300 3.824 3.803 3.846 . 0 0 "[ . 1 . 2]" 1
644 1 50 LEU HA 1 90 LEU H . . 4.560 3.573 3.279 3.856 . 0 0 "[ . 1 . 2]" 1
645 1 50 LEU HA 1 90 LEU HB2 . . 4.470 3.440 2.712 3.898 . 0 0 "[ . 1 . 2]" 1
646 1 50 LEU HA 1 90 LEU HB3 . . 4.760 4.643 4.361 4.766 0.006 3 0 "[ . 1 . 2]" 1
647 1 50 LEU HA 1 90 LEU QD . . 5.440 4.478 3.402 4.980 . 0 0 "[ . 1 . 2]" 1
648 1 50 LEU QD 1 51 PRO HD2 . . 3.660 1.858 1.700 2.047 . 0 0 "[ . 1 . 2]" 1
649 1 50 LEU QD 1 51 PRO HD3 . . 3.720 3.055 2.790 3.286 . 0 0 "[ . 1 . 2]" 1
650 1 50 LEU QD 1 54 LYS H . . 5.130 4.040 3.369 4.973 . 0 0 "[ . 1 . 2]" 1
651 1 50 LEU QD 1 54 LYS QB . . 3.500 2.584 1.894 3.447 . 0 0 "[ . 1 . 2]" 1
652 1 50 LEU QD 1 54 LYS QG . . 4.470 2.971 1.672 3.731 . 0 0 "[ . 1 . 2]" 1
653 1 50 LEU QD 1 55 ALA H . . 4.870 3.086 2.320 4.014 . 0 0 "[ . 1 . 2]" 1
654 1 50 LEU QD 1 55 ALA HA . . 4.190 2.707 2.329 3.590 . 0 0 "[ . 1 . 2]" 1
655 1 50 LEU QD 1 55 ALA MB . . 3.140 1.990 1.767 2.584 . 0 0 "[ . 1 . 2]" 1
656 1 50 LEU QD 1 68 LEU MD1 . . 4.360 4.057 3.640 4.366 0.006 14 0 "[ . 1 . 2]" 1
657 1 50 LEU QD 1 74 LEU MD2 . . 3.950 2.631 1.933 3.844 . 0 0 "[ . 1 . 2]" 1
658 1 50 LEU QD 1 90 LEU HA . . 4.920 4.027 3.675 4.556 . 0 0 "[ . 1 . 2]" 1
659 1 50 LEU QD 1 90 LEU HB3 . . 3.620 2.670 2.268 3.258 . 0 0 "[ . 1 . 2]" 1
660 1 50 LEU QD 1 91 SER H . . 4.630 3.606 3.318 4.138 . 0 0 "[ . 1 . 2]" 1
661 1 50 LEU QD 1 91 SER HA . . 3.400 2.464 2.049 3.096 . 0 0 "[ . 1 . 2]" 1
662 1 50 LEU QD 1 91 SER QB . . 4.780 3.807 3.291 4.158 . 0 0 "[ . 1 . 2]" 1
663 1 50 LEU QD 1 92 VAL H . . 4.300 3.375 2.626 3.911 . 0 0 "[ . 1 . 2]" 1
664 1 50 LEU MD1 1 55 ALA MB . . 4.030 3.254 1.769 4.038 0.008 10 0 "[ . 1 . 2]" 1
665 1 50 LEU MD2 1 55 ALA MB . . 4.030 2.619 1.815 4.069 0.039 16 0 "[ . 1 . 2]" 1
666 1 50 LEU HG 1 74 LEU MD2 . . 5.180 4.321 2.886 5.181 0.001 13 0 "[ . 1 . 2]" 1
667 1 51 PRO HA 1 52 LEU H . . 3.220 2.189 2.154 2.221 . 0 0 "[ . 1 . 2]" 1
668 1 51 PRO HA 1 52 LEU HB2 . . 5.300 4.458 4.384 4.564 . 0 0 "[ . 1 . 2]" 1
669 1 51 PRO HA 1 52 LEU HG . . 5.500 4.278 4.066 4.397 . 0 0 "[ . 1 . 2]" 1
670 1 51 PRO HA 1 53 LEU H . . 4.850 3.748 3.535 3.885 . 0 0 "[ . 1 . 2]" 1
671 1 51 PRO HB2 1 52 LEU HB2 . . 5.500 4.958 4.766 5.225 . 0 0 "[ . 1 . 2]" 1
672 1 51 PRO HB2 1 53 LEU H . . 4.010 2.488 2.315 2.671 . 0 0 "[ . 1 . 2]" 1
673 1 51 PRO HB2 1 54 LYS H . . 3.970 2.777 2.572 3.154 . 0 0 "[ . 1 . 2]" 1
674 1 51 PRO HB2 1 55 ALA MB . . 5.500 5.179 4.927 5.524 0.024 12 0 "[ . 1 . 2]" 1
675 1 51 PRO HB3 1 52 LEU H . . 4.240 3.858 3.756 4.009 . 0 0 "[ . 1 . 2]" 1
676 1 51 PRO HB3 1 53 LEU H . . 4.600 4.012 3.929 4.113 . 0 0 "[ . 1 . 2]" 1
677 1 51 PRO HB3 1 53 LEU HG . . 4.370 4.278 4.042 4.373 0.003 3 0 "[ . 1 . 2]" 1
678 1 51 PRO HB3 1 54 LYS H . . 4.730 4.425 4.245 4.717 . 0 0 "[ . 1 . 2]" 1
679 1 51 PRO HD2 1 54 LYS QB . . 3.870 3.191 2.838 3.897 0.027 12 0 "[ . 1 . 2]" 1
680 1 51 PRO HD2 1 54 LYS QG . . 4.750 4.071 2.679 4.699 . 0 0 "[ . 1 . 2]" 1
681 1 51 PRO HD2 1 90 LEU H . . 4.600 4.181 3.748 4.390 . 0 0 "[ . 1 . 2]" 1
682 1 51 PRO HD3 1 90 LEU H . . 4.600 3.787 3.310 4.155 . 0 0 "[ . 1 . 2]" 1
683 1 51 PRO QG 1 52 LEU H . . 5.010 4.565 4.489 4.664 . 0 0 "[ . 1 . 2]" 1
684 1 51 PRO QG 1 53 LEU H . . 4.640 3.942 3.667 4.192 . 0 0 "[ . 1 . 2]" 1
685 1 51 PRO QG 1 54 LYS H . . 4.440 2.586 2.393 2.791 . 0 0 "[ . 1 . 2]" 1
686 1 51 PRO QG 1 54 LYS HG2 . . 4.310 3.675 2.332 4.314 0.004 6 0 "[ . 1 . 2]" 1
687 1 51 PRO QG 1 54 LYS QG . . 3.790 3.278 2.241 3.561 . 0 0 "[ . 1 . 2]" 1
688 1 51 PRO QG 1 54 LYS HG3 . . 4.310 3.784 2.897 4.310 0.000 7 0 "[ . 1 . 2]" 1
689 1 52 LEU H 1 52 LEU HB2 . . 3.470 2.294 2.264 2.397 . 0 0 "[ . 1 . 2]" 1
690 1 52 LEU H 1 52 LEU HB3 . . 3.670 3.546 3.536 3.573 . 0 0 "[ . 1 . 2]" 1
691 1 52 LEU H 1 52 LEU MD1 . . 4.880 3.650 3.394 3.797 . 0 0 "[ . 1 . 2]" 1
692 1 52 LEU H 1 52 LEU QD . . 4.240 3.263 3.145 3.321 . 0 0 "[ . 1 . 2]" 1
693 1 52 LEU H 1 52 LEU MD2 . . 4.880 3.704 3.406 3.927 . 0 0 "[ . 1 . 2]" 1
694 1 52 LEU H 1 52 LEU HG . . 3.810 2.631 2.412 2.718 . 0 0 "[ . 1 . 2]" 1
695 1 52 LEU H 1 53 LEU H . . 4.000 2.622 2.613 2.678 . 0 0 "[ . 1 . 2]" 1
696 1 52 LEU HA 1 52 LEU MD1 . . 3.870 3.839 3.809 3.859 . 0 0 "[ . 1 . 2]" 1
697 1 52 LEU HA 1 52 LEU QD . . 3.250 2.053 1.953 2.230 . 0 0 "[ . 1 . 2]" 1
698 1 52 LEU HA 1 52 LEU MD2 . . 3.870 2.061 1.959 2.244 . 0 0 "[ . 1 . 2]" 1
699 1 52 LEU HA 1 52 LEU HG . . 3.910 2.879 2.685 3.056 . 0 0 "[ . 1 . 2]" 1
700 1 52 LEU HA 1 55 ALA H . . 4.600 3.293 3.147 3.420 . 0 0 "[ . 1 . 2]" 1
701 1 52 LEU HA 1 55 ALA MB . . 3.510 2.369 2.121 2.638 . 0 0 "[ . 1 . 2]" 1
702 1 52 LEU HB2 1 53 LEU H . . 4.030 3.089 2.962 3.274 . 0 0 "[ . 1 . 2]" 1
703 1 52 LEU HB3 1 52 LEU QD . . 3.090 2.086 2.033 2.141 . 0 0 "[ . 1 . 2]" 1
704 1 52 LEU HB3 1 53 LEU H . . 3.900 3.794 3.648 3.903 0.003 16 0 "[ . 1 . 2]" 1
705 1 53 LEU H 1 53 LEU HB2 . . 3.750 2.660 2.576 2.715 . 0 0 "[ . 1 . 2]" 1
706 1 53 LEU H 1 53 LEU QB . . 3.130 2.592 2.523 2.638 . 0 0 "[ . 1 . 2]" 1
707 1 53 LEU H 1 53 LEU HB3 . . 3.750 3.582 3.572 3.601 . 0 0 "[ . 1 . 2]" 1
708 1 53 LEU H 1 53 LEU MD1 . . 4.460 3.505 3.403 3.644 . 0 0 "[ . 1 . 2]" 1
709 1 53 LEU H 1 53 LEU MD2 . . 4.450 3.068 2.931 3.272 . 0 0 "[ . 1 . 2]" 1
710 1 53 LEU H 1 53 LEU HG . . 3.140 1.977 1.899 2.169 . 0 0 "[ . 1 . 2]" 1
711 1 53 LEU H 1 54 LYS H . . 3.810 2.656 2.556 2.757 . 0 0 "[ . 1 . 2]" 1
712 1 53 LEU H 1 54 LYS QB . . 4.740 4.483 4.395 4.600 . 0 0 "[ . 1 . 2]" 1
713 1 53 LEU H 1 55 ALA H . . 4.840 3.895 3.707 4.078 . 0 0 "[ . 1 . 2]" 1
714 1 53 LEU HA 1 53 LEU MD1 . . 3.980 3.929 3.877 3.956 . 0 0 "[ . 1 . 2]" 1
715 1 53 LEU HA 1 53 LEU MD2 . . 3.290 2.187 1.997 2.375 . 0 0 "[ . 1 . 2]" 1
716 1 53 LEU HA 1 53 LEU HG . . 3.810 3.246 3.143 3.304 . 0 0 "[ . 1 . 2]" 1
717 1 53 LEU HA 1 56 GLN H . . 4.280 3.972 3.523 4.218 . 0 0 "[ . 1 . 2]" 1
718 1 53 LEU HA 1 56 GLN HB3 . . 3.930 3.395 2.787 3.798 . 0 0 "[ . 1 . 2]" 1
719 1 53 LEU QB 1 53 LEU MD2 . . 2.990 2.258 2.146 2.363 . 0 0 "[ . 1 . 2]" 1
720 1 53 LEU QB 1 54 LYS H . . 3.990 2.465 2.442 2.554 . 0 0 "[ . 1 . 2]" 1
721 1 53 LEU HB2 1 53 LEU MD2 . . 3.450 3.183 3.170 3.194 . 0 0 "[ . 1 . 2]" 1
722 1 53 LEU HB2 1 54 LYS H . . 4.570 2.501 2.477 2.594 . 0 0 "[ . 1 . 2]" 1
723 1 53 LEU HB3 1 53 LEU MD2 . . 3.450 2.310 2.183 2.435 . 0 0 "[ . 1 . 2]" 1
724 1 53 LEU HB3 1 54 LYS H . . 4.570 3.742 3.679 3.826 . 0 0 "[ . 1 . 2]" 1
725 1 53 LEU HG 1 54 LYS H . . 4.460 3.991 3.860 4.115 . 0 0 "[ . 1 . 2]" 1
726 1 54 LYS H 1 54 LYS QB . . 3.550 2.227 2.164 2.289 . 0 0 "[ . 1 . 2]" 1
727 1 54 LYS H 1 54 LYS QD . . 4.700 4.359 4.211 4.586 . 0 0 "[ . 1 . 2]" 1
728 1 54 LYS H 1 54 LYS HG2 . . 4.740 4.113 3.098 4.648 . 0 0 "[ . 1 . 2]" 1
729 1 54 LYS H 1 54 LYS QG . . 4.030 3.672 2.752 4.049 0.019 11 0 "[ . 1 . 2]" 1
730 1 54 LYS H 1 54 LYS HG3 . . 4.740 4.258 2.841 4.648 . 0 0 "[ . 1 . 2]" 1
731 1 54 LYS H 1 55 ALA H . . 3.480 2.401 2.327 2.552 . 0 0 "[ . 1 . 2]" 1
732 1 54 LYS HA 1 54 LYS HD2 . . 3.870 3.496 2.821 3.811 . 0 0 "[ . 1 . 2]" 1
733 1 54 LYS HA 1 54 LYS QD . . 3.390 2.174 1.979 3.404 0.014 12 0 "[ . 1 . 2]" 1
734 1 54 LYS HA 1 54 LYS HD3 . . 3.870 2.267 1.997 3.883 0.013 6 0 "[ . 1 . 2]" 1
735 1 54 LYS HA 1 54 LYS QG . . 3.630 2.780 2.238 3.447 . 0 0 "[ . 1 . 2]" 1
736 1 54 LYS QB 1 55 ALA H . . 3.960 2.755 2.556 3.371 . 0 0 "[ . 1 . 2]" 1
737 1 54 LYS QB 1 91 SER QB . . 4.300 4.034 3.292 4.303 0.003 19 0 "[ . 1 . 2]" 1
738 1 54 LYS QD 1 58 TYR HB2 . . 4.690 4.299 3.392 4.690 0.000 15 0 "[ . 1 . 2]" 1
739 1 54 LYS QD 1 91 SER QB . . 4.420 3.643 2.407 4.384 . 0 0 "[ . 1 . 2]" 1
740 1 54 LYS HD2 1 58 TYR HB2 . . 5.440 4.753 3.664 5.441 0.001 5 0 "[ . 1 . 2]" 1
741 1 54 LYS HD3 1 58 TYR HB2 . . 5.440 4.965 4.003 5.437 . 0 0 "[ . 1 . 2]" 1
742 1 54 LYS QE 1 54 LYS QG . . 3.380 2.244 2.087 2.535 . 0 0 "[ . 1 . 2]" 1
743 1 54 LYS QG 1 91 SER QB . . 3.670 2.854 2.090 3.677 0.007 12 0 "[ . 1 . 2]" 1
744 1 55 ALA H 1 55 ALA MB . . 3.200 2.129 2.033 2.228 . 0 0 "[ . 1 . 2]" 1
745 1 55 ALA H 1 59 ILE MD . . 5.090 4.763 4.458 5.074 . 0 0 "[ . 1 . 2]" 1
746 1 55 ALA HA 1 58 TYR H . . 4.370 3.483 3.305 3.617 . 0 0 "[ . 1 . 2]" 1
747 1 55 ALA HA 1 58 TYR HB2 . . 4.410 4.314 4.043 4.418 0.008 3 0 "[ . 1 . 2]" 1
748 1 55 ALA HA 1 58 TYR HB3 . . 4.600 2.889 2.742 3.059 . 0 0 "[ . 1 . 2]" 1
749 1 55 ALA HA 1 92 VAL QG . . 3.820 3.376 2.888 3.814 . 0 0 "[ . 1 . 2]" 1
750 1 55 ALA MB 1 56 GLN H . . 3.790 2.571 2.341 2.859 . 0 0 "[ . 1 . 2]" 1
751 1 55 ALA MB 1 56 GLN HB2 . . 4.430 4.042 3.810 4.331 . 0 0 "[ . 1 . 2]" 1
752 1 55 ALA MB 1 56 GLN QG . . 5.280 5.136 4.811 5.288 0.008 12 0 "[ . 1 . 2]" 1
753 1 55 ALA MB 1 59 ILE MD . . 3.330 2.192 1.863 2.660 . 0 0 "[ . 1 . 2]" 1
754 1 55 ALA MB 1 68 LEU MD1 . . 3.570 3.108 2.630 3.487 . 0 0 "[ . 1 . 2]" 1
755 1 55 ALA MB 1 74 LEU MD2 . . 5.500 3.686 3.442 4.084 . 0 0 "[ . 1 . 2]" 1
756 1 55 ALA MB 1 92 VAL QG . . 4.420 4.169 3.619 4.422 0.002 12 0 "[ . 1 . 2]" 1
757 1 56 GLN H 1 56 GLN HB2 . . 3.590 2.449 2.220 2.688 . 0 0 "[ . 1 . 2]" 1
758 1 56 GLN H 1 56 GLN HB3 . . 3.360 2.608 2.369 2.876 . 0 0 "[ . 1 . 2]" 1
759 1 56 GLN H 1 56 GLN QG . . 4.010 3.968 3.884 4.046 0.036 7 0 "[ . 1 . 2]" 1
760 1 56 GLN H 1 57 GLU H . . 3.750 2.677 2.601 2.763 . 0 0 "[ . 1 . 2]" 1
761 1 56 GLN H 1 59 ILE MD . . 4.830 3.620 3.361 4.174 . 0 0 "[ . 1 . 2]" 1
762 1 56 GLN HA 1 56 GLN QG . . 3.680 2.460 2.288 2.624 . 0 0 "[ . 1 . 2]" 1
763 1 56 GLN HA 1 59 ILE H . . 4.200 3.480 3.373 3.620 . 0 0 "[ . 1 . 2]" 1
764 1 56 GLN HA 1 59 ILE HB . . 3.300 2.560 2.480 2.625 . 0 0 "[ . 1 . 2]" 1
765 1 56 GLN HA 1 59 ILE MD . . 3.220 2.446 2.010 2.851 . 0 0 "[ . 1 . 2]" 1
766 1 56 GLN HA 1 59 ILE QG . . 4.180 3.822 3.554 4.069 . 0 0 "[ . 1 . 2]" 1
767 1 56 GLN HA 1 59 ILE MG . . 3.940 3.905 3.780 3.944 0.004 5 0 "[ . 1 . 2]" 1
768 1 56 GLN HA 1 60 ARG H . . 4.380 3.660 3.378 3.864 . 0 0 "[ . 1 . 2]" 1
769 1 56 GLN HB2 1 59 ILE MD . . 4.660 4.074 3.702 4.453 . 0 0 "[ . 1 . 2]" 1
770 1 56 GLN HB3 1 57 GLU H . . 3.540 2.719 2.521 2.866 . 0 0 "[ . 1 . 2]" 1
771 1 56 GLN HB3 1 57 GLU HA . . 4.690 4.204 3.981 4.459 . 0 0 "[ . 1 . 2]" 1
772 1 56 GLN HB3 1 58 TYR H . . 5.500 5.158 4.972 5.284 . 0 0 "[ . 1 . 2]" 1
773 1 56 GLN QG 1 57 GLU H . . 4.470 3.865 3.449 4.368 . 0 0 "[ . 1 . 2]" 1
774 1 56 GLN QG 1 60 ARG H . . 5.130 3.950 3.629 4.449 . 0 0 "[ . 1 . 2]" 1
775 1 57 GLU H 1 57 GLU QB . . 3.070 2.244 2.156 2.486 . 0 0 "[ . 1 . 2]" 1
776 1 57 GLU H 1 57 GLU HG2 . . 4.840 3.943 2.120 4.632 . 0 0 "[ . 1 . 2]" 1
777 1 57 GLU H 1 57 GLU QG . . 4.200 3.463 2.099 4.046 . 0 0 "[ . 1 . 2]" 1
778 1 57 GLU H 1 57 GLU HG3 . . 4.840 4.045 2.642 4.607 . 0 0 "[ . 1 . 2]" 1
779 1 57 GLU H 1 58 TYR HB2 . . 5.500 5.431 5.141 5.502 0.002 8 0 "[ . 1 . 2]" 1
780 1 57 GLU HA 1 57 GLU HG2 . . 3.890 2.932 2.278 3.875 . 0 0 "[ . 1 . 2]" 1
781 1 57 GLU HA 1 57 GLU QG . . 3.410 2.531 2.252 3.310 . 0 0 "[ . 1 . 2]" 1
782 1 57 GLU HA 1 57 GLU HG3 . . 3.890 3.057 2.423 3.808 . 0 0 "[ . 1 . 2]" 1
783 1 57 GLU HA 1 60 ARG H . . 4.040 3.747 3.670 3.984 . 0 0 "[ . 1 . 2]" 1
784 1 57 GLU HA 1 60 ARG QB . . 3.960 3.473 2.823 3.772 . 0 0 "[ . 1 . 2]" 1
785 1 57 GLU HA 1 60 ARG QD . . 4.540 2.818 2.065 4.110 . 0 0 "[ . 1 . 2]" 1
786 1 57 GLU HA 1 60 ARG QG . . 4.170 2.525 1.979 4.005 . 0 0 "[ . 1 . 2]" 1
787 1 57 GLU QB 1 58 TYR H . . 3.730 2.574 2.464 3.394 . 0 0 "[ . 1 . 2]" 1
788 1 57 GLU QG 1 58 TYR H . . 5.340 3.905 2.085 4.392 . 0 0 "[ . 1 . 2]" 1
789 1 58 TYR H 1 58 TYR HB2 . . 3.670 2.882 2.606 2.951 . 0 0 "[ . 1 . 2]" 1
790 1 58 TYR H 1 58 TYR HB3 . . 3.410 2.259 2.210 2.477 . 0 0 "[ . 1 . 2]" 1
791 1 58 TYR H 1 58 TYR QD . . 4.380 3.990 3.912 4.201 . 0 0 "[ . 1 . 2]" 1
792 1 58 TYR H 1 59 ILE H . . 3.650 2.533 2.506 2.585 . 0 0 "[ . 1 . 2]" 1
793 1 58 TYR H 1 92 VAL QG . . 4.960 3.663 3.043 4.144 . 0 0 "[ . 1 . 2]" 1
794 1 58 TYR HA 1 58 TYR QD . . 3.600 3.177 2.827 3.332 . 0 0 "[ . 1 . 2]" 1
795 1 58 TYR HA 1 92 VAL QG . . 4.700 3.758 3.213 4.331 . 0 0 "[ . 1 . 2]" 1
796 1 58 TYR HB2 1 59 ILE H . . 4.130 4.067 3.937 4.133 0.003 10 0 "[ . 1 . 2]" 1
797 1 58 TYR HB2 1 92 VAL MG1 . . 4.690 2.646 2.000 3.342 . 0 0 "[ . 1 . 2]" 1
798 1 58 TYR HB2 1 92 VAL QG . . 3.950 2.176 1.859 2.721 . 0 0 "[ . 1 . 2]" 1
799 1 58 TYR HB2 1 92 VAL MG2 . . 4.690 2.423 1.948 3.282 . 0 0 "[ . 1 . 2]" 1
800 1 58 TYR HB3 1 59 ILE H . . 4.140 2.782 2.616 2.883 . 0 0 "[ . 1 . 2]" 1
801 1 58 TYR HB3 1 59 ILE HB . . 5.400 5.119 4.893 5.226 . 0 0 "[ . 1 . 2]" 1
802 1 58 TYR HB3 1 92 VAL MG1 . . 4.250 3.308 2.342 4.219 . 0 0 "[ . 1 . 2]" 1
803 1 58 TYR HB3 1 92 VAL QG . . 3.680 2.716 2.244 3.260 . 0 0 "[ . 1 . 2]" 1
804 1 58 TYR HB3 1 92 VAL MG2 . . 4.250 3.125 2.405 4.258 0.008 12 0 "[ . 1 . 2]" 1
805 1 58 TYR QD 1 59 ILE H . . 4.430 2.789 2.431 3.545 . 0 0 "[ . 1 . 2]" 1
806 1 58 TYR QD 1 59 ILE HA . . 4.290 2.804 2.416 3.364 . 0 0 "[ . 1 . 2]" 1
807 1 58 TYR QD 1 59 ILE MD . . 5.020 3.765 3.537 4.331 . 0 0 "[ . 1 . 2]" 1
808 1 58 TYR QD 1 59 ILE HG12 . . 4.650 3.150 2.980 3.876 . 0 0 "[ . 1 . 2]" 1
809 1 58 TYR QD 1 59 ILE QG . . 4.070 2.130 1.974 2.837 . 0 0 "[ . 1 . 2]" 1
810 1 58 TYR QD 1 59 ILE HG13 . . 4.650 2.168 1.998 2.917 . 0 0 "[ . 1 . 2]" 1
811 1 58 TYR QD 1 59 ILE MG . . 4.960 4.258 4.027 4.891 . 0 0 "[ . 1 . 2]" 1
812 1 58 TYR QD 1 62 LYS QG . . 4.730 2.866 2.493 3.714 . 0 0 "[ . 1 . 2]" 1
813 1 58 TYR QD 1 68 LEU MD2 . . 3.450 3.312 3.034 3.452 0.002 11 0 "[ . 1 . 2]" 1
814 1 58 TYR QD 1 74 LEU MD1 . . 4.540 3.140 2.456 3.904 . 0 0 "[ . 1 . 2]" 1
815 1 58 TYR QD 1 74 LEU MD2 . . 5.500 4.344 3.921 4.936 . 0 0 "[ . 1 . 2]" 1
816 1 58 TYR QD 1 92 VAL QG . . 4.180 2.456 1.807 3.075 . 0 0 "[ . 1 . 2]" 1
817 1 58 TYR QE 1 62 LYS HB2 . . 4.740 3.527 3.146 3.762 . 0 0 "[ . 1 . 2]" 1
818 1 58 TYR QE 1 62 LYS HB3 . . 4.740 3.917 3.597 4.132 . 0 0 "[ . 1 . 2]" 1
819 1 58 TYR QE 1 62 LYS QD . . 4.580 3.399 2.448 4.119 . 0 0 "[ . 1 . 2]" 1
820 1 58 TYR QE 1 62 LYS QE . . 4.630 2.871 1.988 4.293 . 0 0 "[ . 1 . 2]" 1
821 1 58 TYR QE 1 62 LYS HG2 . . 4.830 4.054 3.089 4.263 . 0 0 "[ . 1 . 2]" 1
822 1 58 TYR QE 1 62 LYS QG . . 4.030 2.699 2.188 3.043 . 0 0 "[ . 1 . 2]" 1
823 1 58 TYR QE 1 62 LYS HG3 . . 4.830 2.813 2.201 4.575 . 0 0 "[ . 1 . 2]" 1
824 1 58 TYR QE 1 68 LEU MD2 . . 3.590 2.702 2.073 3.344 . 0 0 "[ . 1 . 2]" 1
825 1 58 TYR QE 1 72 GLN QE . . 4.870 3.558 2.748 4.836 . 0 0 "[ . 1 . 2]" 1
826 1 58 TYR QE 1 74 LEU MD1 . . 4.000 2.476 2.019 3.099 . 0 0 "[ . 1 . 2]" 1
827 1 58 TYR QE 1 74 LEU MD2 . . 4.910 4.248 3.719 4.758 . 0 0 "[ . 1 . 2]" 1
828 1 58 TYR QE 1 92 VAL QG . . 4.580 3.593 2.995 4.167 . 0 0 "[ . 1 . 2]" 1
829 1 59 ILE H 1 59 ILE HB . . 3.390 2.498 2.376 2.546 . 0 0 "[ . 1 . 2]" 1
830 1 59 ILE H 1 59 ILE MD . . 4.180 3.254 3.099 3.587 . 0 0 "[ . 1 . 2]" 1
831 1 59 ILE H 1 59 ILE HG12 . . 4.100 3.673 3.547 3.788 . 0 0 "[ . 1 . 2]" 1
832 1 59 ILE H 1 59 ILE QG . . 3.600 2.200 2.071 2.429 . 0 0 "[ . 1 . 2]" 1
833 1 59 ILE H 1 59 ILE HG13 . . 4.100 2.217 2.085 2.459 . 0 0 "[ . 1 . 2]" 1
834 1 59 ILE H 1 59 ILE MG . . 3.930 3.759 3.725 3.766 . 0 0 "[ . 1 . 2]" 1
835 1 59 ILE H 1 60 ARG H . . 3.630 2.621 2.573 2.771 . 0 0 "[ . 1 . 2]" 1
836 1 59 ILE HA 1 59 ILE MD . . 4.000 3.872 3.814 3.886 . 0 0 "[ . 1 . 2]" 1
837 1 59 ILE HA 1 59 ILE HG12 . . 3.880 2.743 2.537 2.830 . 0 0 "[ . 1 . 2]" 1
838 1 59 ILE HA 1 59 ILE QG . . 3.330 2.436 2.343 2.461 . 0 0 "[ . 1 . 2]" 1
839 1 59 ILE HA 1 59 ILE HG13 . . 3.880 2.730 2.659 2.802 . 0 0 "[ . 1 . 2]" 1
840 1 59 ILE HA 1 59 ILE MG . . 3.280 2.449 2.307 2.513 . 0 0 "[ . 1 . 2]" 1
841 1 59 ILE HA 1 61 GLN H . . 4.900 4.433 4.349 4.568 . 0 0 "[ . 1 . 2]" 1
842 1 59 ILE HA 1 63 ASN H . . 4.280 2.413 2.179 2.598 . 0 0 "[ . 1 . 2]" 1
843 1 59 ILE HA 1 63 ASN HB2 . . 3.780 2.809 2.017 3.671 . 0 0 "[ . 1 . 2]" 1
844 1 59 ILE HA 1 63 ASN HB3 . . 3.780 3.688 3.037 3.786 0.006 9 0 "[ . 1 . 2]" 1
845 1 59 ILE HB 1 59 ILE MD . . 3.350 2.218 2.119 2.342 . 0 0 "[ . 1 . 2]" 1
846 1 59 ILE HB 1 60 ARG H . . 3.220 2.595 2.383 2.675 . 0 0 "[ . 1 . 2]" 1
847 1 59 ILE MD 1 60 ARG H . . 5.460 4.324 4.060 4.481 . 0 0 "[ . 1 . 2]" 1
848 1 59 ILE MD 1 68 LEU H . . 4.000 3.609 3.133 3.999 . 0 0 "[ . 1 . 2]" 1
849 1 59 ILE MD 1 68 LEU MD1 . . 3.940 2.011 1.732 2.460 . 0 0 "[ . 1 . 2]" 1
850 1 59 ILE MD 1 68 LEU MD2 . . 4.090 2.980 2.439 3.466 . 0 0 "[ . 1 . 2]" 1
851 1 59 ILE MD 1 68 LEU HG . . 3.460 2.269 1.975 2.677 . 0 0 "[ . 1 . 2]" 1
852 1 59 ILE QG 1 59 ILE MG . . 3.100 2.097 2.037 2.260 . 0 0 "[ . 1 . 2]" 1
853 1 59 ILE QG 1 68 LEU MD2 . . 3.690 1.991 1.813 2.272 . 0 0 "[ . 1 . 2]" 1
854 1 59 ILE MG 1 60 ARG H . . 4.070 3.407 3.084 3.510 . 0 0 "[ . 1 . 2]" 1
855 1 59 ILE MG 1 60 ARG HA . . 4.130 3.426 3.073 3.540 . 0 0 "[ . 1 . 2]" 1
856 1 59 ILE MG 1 63 ASN QB . . 4.020 1.913 1.715 2.110 . 0 0 "[ . 1 . 2]" 1
857 1 59 ILE MG 1 65 GLY H . . 4.100 2.783 2.279 3.219 . 0 0 "[ . 1 . 2]" 1
858 1 59 ILE MG 1 65 GLY QA . . 3.430 2.652 2.340 2.910 . 0 0 "[ . 1 . 2]" 1
859 1 59 ILE MG 1 66 ALA H . . 4.250 2.050 1.840 3.525 . 0 0 "[ . 1 . 2]" 1
860 1 60 ARG H 1 60 ARG QB . . 3.180 2.270 2.108 2.483 . 0 0 "[ . 1 . 2]" 1
861 1 60 ARG H 1 60 ARG QD . . 4.870 4.106 3.773 4.565 . 0 0 "[ . 1 . 2]" 1
862 1 60 ARG H 1 60 ARG HG2 . . 4.420 2.850 2.249 4.049 . 0 0 "[ . 1 . 2]" 1
863 1 60 ARG H 1 60 ARG QG . . 3.660 2.748 2.204 3.732 0.072 5 0 "[ . 1 . 2]" 1
864 1 60 ARG H 1 60 ARG HG3 . . 4.420 3.769 3.166 4.384 . 0 0 "[ . 1 . 2]" 1
865 1 60 ARG H 1 61 GLN H . . 3.510 2.605 2.543 2.752 . 0 0 "[ . 1 . 2]" 1
866 1 60 ARG H 1 61 GLN QG . . 5.340 4.775 4.415 4.970 . 0 0 "[ . 1 . 2]" 1
867 1 60 ARG HA 1 60 ARG QD . . 4.610 4.281 3.745 4.538 . 0 0 "[ . 1 . 2]" 1
868 1 60 ARG HA 1 60 ARG HG2 . . 3.920 3.823 3.760 3.892 . 0 0 "[ . 1 . 2]" 1
869 1 60 ARG HA 1 60 ARG HG3 . . 3.920 3.461 2.851 3.678 . 0 0 "[ . 1 . 2]" 1
870 1 60 ARG HA 1 65 GLY H . . 3.910 1.981 1.888 2.114 . 0 0 "[ . 1 . 2]" 1
871 1 60 ARG HA 1 65 GLY HA2 . . 3.830 2.360 1.996 3.086 . 0 0 "[ . 1 . 2]" 1
872 1 60 ARG HA 1 65 GLY QA . . 3.350 2.281 1.945 2.956 . 0 0 "[ . 1 . 2]" 1
873 1 60 ARG HA 1 65 GLY HA3 . . 3.830 3.053 2.689 3.787 . 0 0 "[ . 1 . 2]" 1
874 1 60 ARG QB 1 60 ARG QD . . 3.230 2.203 2.010 2.425 . 0 0 "[ . 1 . 2]" 1
875 1 60 ARG QB 1 61 GLN H . . 3.610 3.287 2.761 3.472 . 0 0 "[ . 1 . 2]" 1
876 1 60 ARG QB 1 65 GLY H . . 4.750 3.869 3.773 4.009 . 0 0 "[ . 1 . 2]" 1
877 1 60 ARG QB 1 65 GLY QA . . 4.530 3.119 2.932 3.720 . 0 0 "[ . 1 . 2]" 1
878 1 60 ARG QG 1 61 GLN QB . . 4.770 3.409 3.161 4.006 . 0 0 "[ . 1 . 2]" 1
879 1 60 ARG QG 1 61 GLN QG . . 4.610 2.347 2.070 2.740 . 0 0 "[ . 1 . 2]" 1
880 1 61 GLN H 1 61 GLN QB . . 3.270 2.236 2.183 2.330 . 0 0 "[ . 1 . 2]" 1
881 1 61 GLN H 1 61 GLN HG2 . . 4.020 3.266 2.602 4.017 . 0 0 "[ . 1 . 2]" 1
882 1 61 GLN H 1 61 GLN QG . . 3.510 2.803 2.566 2.963 . 0 0 "[ . 1 . 2]" 1
883 1 61 GLN H 1 61 GLN HG3 . . 4.020 3.437 2.768 3.972 . 0 0 "[ . 1 . 2]" 1
884 1 61 GLN H 1 63 ASN H . . 5.010 4.468 4.094 4.765 . 0 0 "[ . 1 . 2]" 1
885 1 61 GLN HA 1 61 GLN HG2 . . 3.670 2.523 2.204 3.053 . 0 0 "[ . 1 . 2]" 1
886 1 61 GLN HA 1 61 GLN HG3 . . 3.670 3.399 2.834 3.686 0.016 15 0 "[ . 1 . 2]" 1
887 1 61 GLN HA 1 64 LYS HA . . 4.370 4.240 4.014 4.396 0.026 8 0 "[ . 1 . 2]" 1
888 1 61 GLN QB 1 62 LYS H . . 3.810 2.898 2.603 3.055 . 0 0 "[ . 1 . 2]" 1
889 1 61 GLN QB 1 62 LYS QD . . 5.230 4.106 2.115 4.698 . 0 0 "[ . 1 . 2]" 1
890 1 61 GLN QB 1 62 LYS HG2 . . 4.710 3.157 2.783 4.778 0.068 15 0 "[ . 1 . 2]" 1
891 1 61 GLN QB 1 62 LYS QG . . 3.940 3.057 2.744 3.736 . 0 0 "[ . 1 . 2]" 1
892 1 61 GLN QB 1 62 LYS HG3 . . 4.710 4.450 3.901 4.696 . 0 0 "[ . 1 . 2]" 1
893 1 62 LYS H 1 62 LYS HB2 . . 3.950 2.480 2.372 2.680 . 0 0 "[ . 1 . 2]" 1
894 1 62 LYS H 1 62 LYS QB . . 3.400 2.442 2.341 2.623 . 0 0 "[ . 1 . 2]" 1
895 1 62 LYS H 1 62 LYS HB3 . . 3.950 3.661 3.600 3.732 . 0 0 "[ . 1 . 2]" 1
896 1 62 LYS H 1 62 LYS QD . . 4.530 4.028 1.978 4.448 . 0 0 "[ . 1 . 2]" 1
897 1 62 LYS H 1 62 LYS HG2 . . 4.590 2.785 2.415 4.144 . 0 0 "[ . 1 . 2]" 1
898 1 62 LYS H 1 62 LYS QG . . 3.790 2.691 2.381 3.396 . 0 0 "[ . 1 . 2]" 1
899 1 62 LYS H 1 62 LYS HG3 . . 4.590 3.768 3.588 4.052 . 0 0 "[ . 1 . 2]" 1
900 1 62 LYS H 1 63 ASN H . . 3.360 2.561 2.433 2.738 . 0 0 "[ . 1 . 2]" 1
901 1 62 LYS HA 1 62 LYS QD . . 3.350 2.345 2.066 3.181 . 0 0 "[ . 1 . 2]" 1
902 1 62 LYS HA 1 62 LYS HG2 . . 4.190 2.862 2.559 3.595 . 0 0 "[ . 1 . 2]" 1
903 1 62 LYS HA 1 62 LYS QG . . 3.660 2.727 2.327 2.915 . 0 0 "[ . 1 . 2]" 1
904 1 62 LYS HA 1 62 LYS HG3 . . 4.190 3.710 2.357 3.885 . 0 0 "[ . 1 . 2]" 1
905 1 62 LYS HA 1 64 LYS H . . 4.640 3.736 3.610 3.839 . 0 0 "[ . 1 . 2]" 1
906 1 62 LYS QB 1 63 ASN H . . 4.070 2.065 1.954 2.286 . 0 0 "[ . 1 . 2]" 1
907 1 62 LYS HB2 1 63 ASN H . . 4.670 2.101 1.995 2.334 . 0 0 "[ . 1 . 2]" 1
908 1 62 LYS HB3 1 63 ASN H . . 4.670 3.076 2.787 3.393 . 0 0 "[ . 1 . 2]" 1
909 1 63 ASN H 1 63 ASN HB2 . . 4.090 2.308 2.183 2.444 . 0 0 "[ . 1 . 2]" 1
910 1 63 ASN H 1 63 ASN QB . . 3.510 2.226 2.162 2.286 . 0 0 "[ . 1 . 2]" 1
911 1 63 ASN H 1 63 ASN HB3 . . 4.090 3.084 2.747 3.526 . 0 0 "[ . 1 . 2]" 1
912 1 63 ASN H 1 64 LYS H . . 3.540 2.965 2.749 3.233 . 0 0 "[ . 1 . 2]" 1
913 1 63 ASN H 1 64 LYS HA . . 5.200 4.894 4.804 5.049 . 0 0 "[ . 1 . 2]" 1
914 1 63 ASN H 1 65 GLY H . . 4.760 3.632 3.475 4.397 . 0 0 "[ . 1 . 2]" 1
915 1 63 ASN HA 1 64 LYS QG . . 4.780 4.151 3.224 4.712 . 0 0 "[ . 1 . 2]" 1
916 1 63 ASN QB 1 64 LYS H . . 4.200 3.742 3.131 3.889 . 0 0 "[ . 1 . 2]" 1
917 1 63 ASN QB 1 66 ALA H . . 3.990 2.122 1.871 3.304 . 0 0 "[ . 1 . 2]" 1
918 1 63 ASN HB2 1 64 LYS H . . 4.990 4.286 3.329 4.552 . 0 0 "[ . 1 . 2]" 1
919 1 63 ASN HB2 1 66 ALA H . . 4.650 3.588 2.840 4.653 0.003 9 0 "[ . 1 . 2]" 1
920 1 63 ASN HB3 1 64 LYS H . . 4.990 4.160 3.809 4.296 . 0 0 "[ . 1 . 2]" 1
921 1 63 ASN HB3 1 66 ALA H . . 4.650 2.141 1.894 3.380 . 0 0 "[ . 1 . 2]" 1
922 1 63 ASN QD 1 66 ALA MB . . 3.270 2.170 1.903 2.679 . 0 0 "[ . 1 . 2]" 1
923 1 63 ASN QD 1 68 LEU HA . . 3.860 3.047 2.640 3.624 . 0 0 "[ . 1 . 2]" 1
924 1 63 ASN QD 1 68 LEU MD2 . . 3.970 2.780 2.164 3.345 . 0 0 "[ . 1 . 2]" 1
925 1 63 ASN HD21 1 66 ALA MB . . 3.740 2.538 1.912 3.210 . 0 0 "[ . 1 . 2]" 1
926 1 63 ASN HD21 1 68 LEU HA . . 4.620 3.371 2.763 4.292 . 0 0 "[ . 1 . 2]" 1
927 1 63 ASN HD21 1 68 LEU MD2 . . 4.560 3.043 2.454 4.124 . 0 0 "[ . 1 . 2]" 1
928 1 63 ASN HD22 1 66 ALA MB . . 3.740 2.780 2.050 3.646 . 0 0 "[ . 1 . 2]" 1
929 1 63 ASN HD22 1 68 LEU HA . . 4.620 3.690 2.816 4.380 . 0 0 "[ . 1 . 2]" 1
930 1 63 ASN HD22 1 68 LEU MD2 . . 4.560 3.695 2.376 4.563 0.003 1 0 "[ . 1 . 2]" 1
931 1 64 LYS H 1 64 LYS HA . . 2.940 2.309 2.275 2.319 . 0 0 "[ . 1 . 2]" 1
932 1 64 LYS H 1 64 LYS HB2 . . 4.180 3.406 3.080 3.952 . 0 0 "[ . 1 . 2]" 1
933 1 64 LYS H 1 64 LYS HB3 . . 4.180 3.711 2.886 4.091 . 0 0 "[ . 1 . 2]" 1
934 1 64 LYS H 1 64 LYS QG . . 3.630 2.839 2.414 3.622 . 0 0 "[ . 1 . 2]" 1
935 1 64 LYS HA 1 64 LYS QD . . 4.250 3.606 2.098 4.294 0.044 10 0 "[ . 1 . 2]" 1
936 1 64 LYS HA 1 64 LYS QG . . 3.460 2.650 2.178 3.450 . 0 0 "[ . 1 . 2]" 1
937 1 64 LYS QB 1 64 LYS QE . . 4.180 3.081 1.988 3.731 . 0 0 "[ . 1 . 2]" 1
938 1 64 LYS QB 1 66 ALA H . . 5.340 5.018 4.224 5.345 0.005 14 0 "[ . 1 . 2]" 1
939 1 65 GLY H 1 66 ALA H . . 3.510 2.671 2.418 3.128 . 0 0 "[ . 1 . 2]" 1
940 1 65 GLY H 1 66 ALA MB . . 4.840 4.059 3.915 4.330 . 0 0 "[ . 1 . 2]" 1
941 1 66 ALA H 1 66 ALA MB . . 3.060 2.539 2.136 2.785 . 0 0 "[ . 1 . 2]" 1
942 1 66 ALA H 1 67 LYS H . . 4.500 4.283 4.032 4.479 . 0 0 "[ . 1 . 2]" 1
943 1 66 ALA HA 1 67 LYS H . . 2.870 2.247 2.140 2.623 . 0 0 "[ . 1 . 2]" 1
944 1 66 ALA MB 1 67 LYS H . . 3.330 2.964 2.163 3.335 0.005 10 0 "[ . 1 . 2]" 1
945 1 66 ALA MB 1 67 LYS HA . . 4.870 4.513 4.068 4.714 . 0 0 "[ . 1 . 2]" 1
946 1 66 ALA MB 1 67 LYS QB . . 4.720 4.453 4.213 4.725 0.005 20 0 "[ . 1 . 2]" 1
947 1 67 LYS H 1 67 LYS HB2 . . 3.690 3.144 2.355 3.640 . 0 0 "[ . 1 . 2]" 1
948 1 67 LYS H 1 67 LYS QB . . 3.020 2.524 2.270 2.931 . 0 0 "[ . 1 . 2]" 1
949 1 67 LYS H 1 67 LYS HB3 . . 3.690 3.036 2.297 3.613 . 0 0 "[ . 1 . 2]" 1
950 1 67 LYS H 1 67 LYS QD . . 4.520 3.306 1.872 4.494 . 0 0 "[ . 1 . 2]" 1
951 1 67 LYS H 1 67 LYS QE . . 4.690 4.030 2.833 4.691 0.001 19 0 "[ . 1 . 2]" 1
952 1 67 LYS H 1 67 LYS HG2 . . 4.010 2.961 1.949 4.071 0.061 5 0 "[ . 1 . 2]" 1
953 1 67 LYS H 1 67 LYS QG . . 3.400 2.402 1.882 3.253 . 0 0 "[ . 1 . 2]" 1
954 1 67 LYS H 1 67 LYS HG3 . . 4.010 2.924 1.896 4.029 0.019 2 0 "[ . 1 . 2]" 1
955 1 67 LYS H 1 68 LEU H . . 4.740 4.583 4.364 4.649 . 0 0 "[ . 1 . 2]" 1
956 1 67 LYS HA 1 67 LYS QD . . 4.700 3.808 2.252 4.455 . 0 0 "[ . 1 . 2]" 1
957 1 67 LYS HA 1 67 LYS HG2 . . 4.120 3.411 2.534 4.194 0.074 19 0 "[ . 1 . 2]" 1
958 1 67 LYS HA 1 67 LYS QG . . 3.540 2.949 2.157 3.403 . 0 0 "[ . 1 . 2]" 1
959 1 67 LYS HA 1 67 LYS HG3 . . 4.120 3.449 2.178 4.195 0.075 16 0 "[ . 1 . 2]" 1
960 1 67 LYS HA 1 68 LEU H . . 3.160 2.230 2.141 2.389 . 0 0 "[ . 1 . 2]" 1
961 1 67 LYS HA 1 68 LEU HG . . 4.690 3.741 3.509 3.928 . 0 0 "[ . 1 . 2]" 1
962 1 67 LYS QB 1 68 LEU H . . 3.580 2.913 2.521 3.323 . 0 0 "[ . 1 . 2]" 1
963 1 67 LYS HB2 1 68 LEU H . . 4.290 3.443 2.552 4.285 . 0 0 "[ . 1 . 2]" 1
964 1 67 LYS HB3 1 68 LEU H . . 4.290 3.596 2.704 4.269 . 0 0 "[ . 1 . 2]" 1
965 1 67 LYS QG 1 68 LEU H . . 5.340 4.000 3.277 4.478 . 0 0 "[ . 1 . 2]" 1
966 1 68 LEU H 1 68 LEU QB . . 3.560 2.460 2.318 2.564 . 0 0 "[ . 1 . 2]" 1
967 1 68 LEU H 1 68 LEU MD1 . . 4.500 3.481 3.328 3.737 . 0 0 "[ . 1 . 2]" 1
968 1 68 LEU H 1 68 LEU MD2 . . 5.040 3.563 3.247 3.976 . 0 0 "[ . 1 . 2]" 1
969 1 68 LEU H 1 68 LEU HG . . 3.420 2.326 1.991 2.922 . 0 0 "[ . 1 . 2]" 1
970 1 68 LEU H 1 69 LYS H . . 5.500 4.540 4.475 4.615 . 0 0 "[ . 1 . 2]" 1
971 1 68 LEU HA 1 68 LEU MD1 . . 4.420 3.926 3.873 3.968 . 0 0 "[ . 1 . 2]" 1
972 1 68 LEU HA 1 68 LEU MD2 . . 3.110 2.323 2.145 2.498 . 0 0 "[ . 1 . 2]" 1
973 1 68 LEU HA 1 68 LEU HG . . 4.220 3.016 2.847 3.140 . 0 0 "[ . 1 . 2]" 1
974 1 68 LEU HA 1 69 LYS H . . 3.060 2.564 2.296 2.651 . 0 0 "[ . 1 . 2]" 1
975 1 68 LEU HA 1 69 LYS QG . . 4.570 3.632 3.055 4.347 . 0 0 "[ . 1 . 2]" 1
976 1 68 LEU QB 1 68 LEU MD1 . . 2.970 2.045 1.986 2.098 . 0 0 "[ . 1 . 2]" 1
977 1 68 LEU QB 1 69 LYS H . . 3.590 2.096 1.923 2.634 . 0 0 "[ . 1 . 2]" 1
978 1 68 LEU HB2 1 68 LEU MD1 . . 3.490 2.184 2.064 2.282 . 0 0 "[ . 1 . 2]" 1
979 1 68 LEU HB2 1 69 LYS H . . 4.450 3.257 2.992 3.731 . 0 0 "[ . 1 . 2]" 1
980 1 68 LEU HB3 1 68 LEU MD1 . . 3.490 2.480 2.393 2.582 . 0 0 "[ . 1 . 2]" 1
981 1 68 LEU HB3 1 69 LYS H . . 4.450 2.123 1.938 2.693 . 0 0 "[ . 1 . 2]" 1
982 1 68 LEU MD1 1 74 LEU MD1 . . 3.460 2.930 2.216 3.460 0.000 8 0 "[ . 1 . 2]" 1
983 1 68 LEU MD1 1 74 LEU MD2 . . 3.390 2.463 1.955 2.859 . 0 0 "[ . 1 . 2]" 1
984 1 68 LEU MD2 1 69 LYS H . . 4.910 3.354 2.982 3.603 . 0 0 "[ . 1 . 2]" 1
985 1 68 LEU MD2 1 72 GLN HE21 . . 4.860 3.175 2.671 3.731 . 0 0 "[ . 1 . 2]" 1
986 1 68 LEU MD2 1 72 GLN QE . . 4.170 2.216 1.762 3.115 . 0 0 "[ . 1 . 2]" 1
987 1 68 LEU MD2 1 72 GLN HE22 . . 4.860 2.389 1.788 3.767 . 0 0 "[ . 1 . 2]" 1
988 1 68 LEU MD2 1 72 GLN QG . . 4.360 3.624 2.948 4.193 . 0 0 "[ . 1 . 2]" 1
989 1 68 LEU MD2 1 74 LEU MD1 . . 3.300 2.846 2.195 3.300 . 0 0 "[ . 1 . 2]" 1
990 1 68 LEU MD2 1 74 LEU MD2 . . 3.670 3.481 3.206 3.673 0.003 1 0 "[ . 1 . 2]" 1
991 1 69 LYS H 1 69 LYS HB2 . . 4.070 2.963 2.519 3.912 . 0 0 "[ . 1 . 2]" 1
992 1 69 LYS H 1 69 LYS QB . . 3.390 2.730 2.479 3.160 . 0 0 "[ . 1 . 2]" 1
993 1 69 LYS H 1 69 LYS HB3 . . 4.070 3.639 3.129 3.927 . 0 0 "[ . 1 . 2]" 1
994 1 69 LYS H 1 69 LYS QG . . 3.690 2.869 2.037 3.564 . 0 0 "[ . 1 . 2]" 1
995 1 69 LYS H 1 72 GLN QB . . 3.850 3.358 2.845 3.683 . 0 0 "[ . 1 . 2]" 1
996 1 69 LYS HA 1 69 LYS QG . . 3.500 2.737 2.330 3.343 . 0 0 "[ . 1 . 2]" 1
997 1 69 LYS HA 1 70 VAL H . . 2.880 2.373 2.159 2.654 . 0 0 "[ . 1 . 2]" 1
998 1 69 LYS HA 1 70 VAL HB . . 5.080 4.742 4.512 4.953 . 0 0 "[ . 1 . 2]" 1
999 1 69 LYS QB 1 70 VAL H . . 3.470 2.553 1.915 3.132 . 0 0 "[ . 1 . 2]" 1
1000 1 69 LYS QB 1 72 GLN QB . . 4.070 2.952 2.285 3.994 . 0 0 "[ . 1 . 2]" 1
1001 1 69 LYS QB 1 72 GLN QG . . 4.560 3.845 2.981 4.516 . 0 0 "[ . 1 . 2]" 1
1002 1 69 LYS HB2 1 69 LYS QE . . 4.910 3.358 2.118 4.480 . 0 0 "[ . 1 . 2]" 1
1003 1 69 LYS HB2 1 70 VAL H . . 4.070 3.456 2.019 4.073 0.003 9 0 "[ . 1 . 2]" 1
1004 1 69 LYS HB3 1 69 LYS QE . . 4.910 3.157 2.006 4.134 . 0 0 "[ . 1 . 2]" 1
1005 1 69 LYS HB3 1 70 VAL H . . 4.070 2.934 1.928 4.054 . 0 0 "[ . 1 . 2]" 1
1006 1 69 LYS QG 1 70 VAL H . . 4.300 3.921 2.890 4.301 0.001 5 0 "[ . 1 . 2]" 1
1007 1 69 LYS QG 1 72 GLN QB . . 4.890 3.737 1.853 4.801 . 0 0 "[ . 1 . 2]" 1
1008 1 70 VAL H 1 70 VAL HB . . 3.040 2.470 2.337 2.598 . 0 0 "[ . 1 . 2]" 1
1009 1 70 VAL H 1 70 VAL MG1 . . 3.870 3.758 3.698 3.795 . 0 0 "[ . 1 . 2]" 1
1010 1 70 VAL H 1 70 VAL QG . . 2.920 2.385 1.918 2.732 . 0 0 "[ . 1 . 2]" 1
1011 1 70 VAL H 1 70 VAL MG2 . . 3.870 2.418 1.924 2.814 . 0 0 "[ . 1 . 2]" 1
1012 1 70 VAL H 1 71 GLY H . . 4.810 4.574 4.510 4.645 . 0 0 "[ . 1 . 2]" 1
1013 1 70 VAL H 1 72 GLN QG . . 5.500 5.025 4.714 5.508 0.008 11 0 "[ . 1 . 2]" 1
1014 1 70 VAL HA 1 70 VAL MG1 . . 3.320 2.439 2.332 2.487 . 0 0 "[ . 1 . 2]" 1
1015 1 70 VAL HA 1 70 VAL QG . . 2.890 2.094 2.008 2.179 . 0 0 "[ . 1 . 2]" 1
1016 1 70 VAL HA 1 70 VAL MG2 . . 3.320 2.288 2.119 2.428 . 0 0 "[ . 1 . 2]" 1
1017 1 70 VAL HA 1 71 GLY H . . 2.950 2.215 2.152 2.306 . 0 0 "[ . 1 . 2]" 1
1018 1 70 VAL HA 1 71 GLY HA3 . . 4.690 4.452 4.400 4.535 . 0 0 "[ . 1 . 2]" 1
1019 1 70 VAL HA 1 72 GLN H . . 3.970 3.391 3.172 3.673 . 0 0 "[ . 1 . 2]" 1
1020 1 70 VAL HB 1 71 GLY H . . 4.730 4.058 3.762 4.321 . 0 0 "[ . 1 . 2]" 1
1021 1 70 VAL QG 1 71 GLY H . . 3.290 2.269 2.003 2.620 . 0 0 "[ . 1 . 2]" 1
1022 1 70 VAL QG 1 71 GLY HA2 . . 4.310 3.281 3.145 3.396 . 0 0 "[ . 1 . 2]" 1
1023 1 70 VAL QG 1 72 GLN H . . 4.450 4.036 3.875 4.254 . 0 0 "[ . 1 . 2]" 1
1024 1 70 VAL MG1 1 71 GLY H . . 4.230 2.287 2.010 2.659 . 0 0 "[ . 1 . 2]" 1
1025 1 70 VAL MG2 1 71 GLY H . . 4.230 3.840 3.693 3.965 . 0 0 "[ . 1 . 2]" 1
1026 1 71 GLY H 1 72 GLN H . . 3.420 2.732 2.576 2.963 . 0 0 "[ . 1 . 2]" 1
1027 1 72 GLN H 1 72 GLN HB2 . . 3.640 3.498 2.331 3.644 0.004 13 0 "[ . 1 . 2]" 1
1028 1 72 GLN H 1 72 GLN QB . . 3.100 2.303 2.186 2.539 . 0 0 "[ . 1 . 2]" 1
1029 1 72 GLN H 1 72 GLN HB3 . . 3.640 2.359 2.208 2.745 . 0 0 "[ . 1 . 2]" 1
1030 1 72 GLN H 1 72 GLN QG . . 4.250 2.635 2.375 3.934 . 0 0 "[ . 1 . 2]" 1
1031 1 72 GLN H 1 73 TYR H . . 4.860 4.624 4.588 4.632 . 0 0 "[ . 1 . 2]" 1
1032 1 72 GLN HA 1 72 GLN QG . . 3.850 3.283 2.345 3.418 . 0 0 "[ . 1 . 2]" 1
1033 1 72 GLN HA 1 73 TYR H . . 2.870 2.259 2.235 2.264 . 0 0 "[ . 1 . 2]" 1
1034 1 72 GLN HA 1 73 TYR HA . . 4.830 4.331 4.330 4.337 . 0 0 "[ . 1 . 2]" 1
1035 1 72 GLN HA 1 73 TYR HB2 . . 4.420 4.360 4.337 4.389 . 0 0 "[ . 1 . 2]" 1
1036 1 72 GLN HA 1 73 TYR QD . . 4.620 4.053 3.648 4.439 . 0 0 "[ . 1 . 2]" 1
1037 1 72 GLN QB 1 73 TYR H . . 3.920 2.880 2.796 3.489 . 0 0 "[ . 1 . 2]" 1
1038 1 72 GLN HB2 1 73 TYR H . . 4.480 2.965 2.848 4.167 . 0 0 "[ . 1 . 2]" 1
1039 1 72 GLN HB3 1 73 TYR H . . 4.480 4.110 3.743 4.183 . 0 0 "[ . 1 . 2]" 1
1040 1 72 GLN QG 1 73 TYR H . . 3.790 3.534 2.859 3.821 0.031 17 0 "[ . 1 . 2]" 1
1041 1 72 GLN QG 1 74 LEU MD1 . . 4.480 3.907 3.544 4.502 0.022 11 0 "[ . 1 . 2]" 1
1042 1 73 TYR H 1 73 TYR HB2 . . 3.240 2.197 2.188 2.223 . 0 0 "[ . 1 . 2]" 1
1043 1 73 TYR H 1 73 TYR HB3 . . 3.510 3.493 3.484 3.517 0.007 11 0 "[ . 1 . 2]" 1
1044 1 73 TYR H 1 73 TYR QD . . 4.090 2.908 2.620 3.164 . 0 0 "[ . 1 . 2]" 1
1045 1 73 TYR H 1 74 LEU H . . 4.640 4.521 4.510 4.549 . 0 0 "[ . 1 . 2]" 1
1046 1 73 TYR HA 1 73 TYR QD . . 3.740 2.847 2.547 3.038 . 0 0 "[ . 1 . 2]" 1
1047 1 73 TYR HA 1 74 LEU H . . 3.180 2.153 2.148 2.168 . 0 0 "[ . 1 . 2]" 1
1048 1 73 TYR HA 1 74 LEU MD1 . . 5.500 5.362 5.267 5.501 0.001 2 0 "[ . 1 . 2]" 1
1049 1 73 TYR HB2 1 74 LEU H . . 4.500 4.383 4.337 4.403 . 0 0 "[ . 1 . 2]" 1
1050 1 73 TYR HB3 1 74 LEU H . . 3.960 3.358 3.261 3.396 . 0 0 "[ . 1 . 2]" 1
1051 1 73 TYR QD 1 74 LEU H . . 4.740 3.555 3.320 3.934 . 0 0 "[ . 1 . 2]" 1
1052 1 74 LEU H 1 74 LEU QB . . 3.640 2.554 2.492 2.631 . 0 0 "[ . 1 . 2]" 1
1053 1 74 LEU H 1 74 LEU MD1 . . 4.520 4.208 4.126 4.346 . 0 0 "[ . 1 . 2]" 1
1054 1 74 LEU H 1 75 ASN H . . 5.360 4.399 4.324 4.446 . 0 0 "[ . 1 . 2]" 1
1055 1 74 LEU HA 1 74 LEU MD1 . . 3.380 2.040 1.935 2.535 . 0 0 "[ . 1 . 2]" 1
1056 1 74 LEU HA 1 74 LEU MD2 . . 4.290 3.824 3.720 3.883 . 0 0 "[ . 1 . 2]" 1
1057 1 74 LEU HA 1 75 ASN H . . 3.060 2.206 2.179 2.240 . 0 0 "[ . 1 . 2]" 1
1058 1 74 LEU QB 1 74 LEU MD2 . . 3.140 2.042 1.962 2.065 . 0 0 "[ . 1 . 2]" 1
1059 1 74 LEU HB2 1 74 LEU MD2 . . 3.620 2.339 2.149 2.609 . 0 0 "[ . 1 . 2]" 1
1060 1 74 LEU HB2 1 75 ASN H . . 4.360 4.199 4.148 4.272 . 0 0 "[ . 1 . 2]" 1
1061 1 74 LEU HB3 1 74 LEU MD2 . . 3.620 2.285 2.028 2.479 . 0 0 "[ . 1 . 2]" 1
1062 1 74 LEU HB3 1 75 ASN H . . 4.360 3.862 3.738 4.000 . 0 0 "[ . 1 . 2]" 1
1063 1 74 LEU MD1 1 75 ASN H . . 4.510 2.505 1.939 3.309 . 0 0 "[ . 1 . 2]" 1
1064 1 75 ASN H 1 75 ASN HB2 . . 3.780 2.940 2.291 3.689 . 0 0 "[ . 1 . 2]" 1
1065 1 75 ASN H 1 75 ASN QB . . 3.200 2.493 2.255 2.937 . 0 0 "[ . 1 . 2]" 1
1066 1 75 ASN H 1 75 ASN HB3 . . 3.780 2.979 2.352 3.656 . 0 0 "[ . 1 . 2]" 1
1067 1 75 ASN H 1 76 CYS H . . 4.730 4.514 4.436 4.568 . 0 0 "[ . 1 . 2]" 1
1068 1 75 ASN HA 1 76 CYS H . . 3.100 2.168 2.145 2.187 . 0 0 "[ . 1 . 2]" 1
1069 1 75 ASN QB 1 76 CYS H . . 4.040 3.312 3.009 3.786 . 0 0 "[ . 1 . 2]" 1
1070 1 75 ASN HB2 1 76 CYS H . . 4.750 3.864 3.172 4.352 . 0 0 "[ . 1 . 2]" 1
1071 1 75 ASN HB3 1 76 CYS H . . 4.750 3.828 3.113 4.312 . 0 0 "[ . 1 . 2]" 1
1072 1 76 CYS H 1 76 CYS HB2 . . 4.110 2.850 2.747 2.927 . 0 0 "[ . 1 . 2]" 1
1073 1 76 CYS H 1 76 CYS HB3 . . 4.110 3.881 3.800 3.938 . 0 0 "[ . 1 . 2]" 1
1074 1 76 CYS H 1 90 LEU QD . . 4.760 4.345 4.153 4.724 . 0 0 "[ . 1 . 2]" 1
1075 1 76 CYS HA 1 77 ILE H . . 3.180 2.330 2.236 2.399 . 0 0 "[ . 1 . 2]" 1
1076 1 76 CYS HA 1 90 LEU QD . . 4.390 3.784 3.390 4.393 0.003 14 0 "[ . 1 . 2]" 1
1077 1 76 CYS HA 1 92 VAL HA . . 3.590 2.506 2.219 3.036 . 0 0 "[ . 1 . 2]" 1
1078 1 76 CYS HA 1 92 VAL MG1 . . 4.990 3.827 2.909 4.804 . 0 0 "[ . 1 . 2]" 1
1079 1 76 CYS HA 1 92 VAL QG . . 4.310 3.363 2.890 3.891 . 0 0 "[ . 1 . 2]" 1
1080 1 76 CYS HA 1 92 VAL MG2 . . 4.990 4.327 3.039 4.996 0.006 16 0 "[ . 1 . 2]" 1
1081 1 76 CYS HA 1 93 GLY H . . 4.020 3.820 3.359 4.017 . 0 0 "[ . 1 . 2]" 1
1082 1 76 CYS QB 1 77 ILE H . . 3.470 2.584 2.407 2.819 . 0 0 "[ . 1 . 2]" 1
1083 1 76 CYS QB 1 90 LEU HB2 . . 4.790 3.613 3.503 3.817 . 0 0 "[ . 1 . 2]" 1
1084 1 76 CYS QB 1 90 LEU QD . . 3.140 1.896 1.811 2.195 . 0 0 "[ . 1 . 2]" 1
1085 1 76 CYS QB 1 90 LEU HG . . 5.340 3.911 3.446 4.323 . 0 0 "[ . 1 . 2]" 1
1086 1 76 CYS QB 1 91 SER H . . 4.820 2.928 2.496 3.337 . 0 0 "[ . 1 . 2]" 1
1087 1 76 CYS HB2 1 77 ILE H . . 4.000 3.831 3.553 4.000 . 0 0 "[ . 1 . 2]" 1
1088 1 76 CYS HB2 1 90 LEU HB3 . . 3.910 3.467 3.052 3.818 . 0 0 "[ . 1 . 2]" 1
1089 1 76 CYS HB2 1 90 LEU MD1 . . 4.940 2.759 2.129 3.228 . 0 0 "[ . 1 . 2]" 1
1090 1 76 CYS HB2 1 90 LEU MD2 . . 4.940 3.146 2.257 4.938 . 0 0 "[ . 1 . 2]" 1
1091 1 76 CYS HB3 1 77 ILE H . . 4.000 2.628 2.441 2.888 . 0 0 "[ . 1 . 2]" 1
1092 1 76 CYS HB3 1 90 LEU HB3 . . 3.910 2.046 1.998 2.232 . 0 0 "[ . 1 . 2]" 1
1093 1 76 CYS HB3 1 90 LEU MD1 . . 4.940 2.610 1.978 3.134 . 0 0 "[ . 1 . 2]" 1
1094 1 76 CYS HB3 1 90 LEU MD2 . . 4.940 2.503 1.944 4.569 . 0 0 "[ . 1 . 2]" 1
1095 1 77 ILE H 1 77 ILE HB . . 3.590 2.769 2.684 2.870 . 0 0 "[ . 1 . 2]" 1
1096 1 77 ILE H 1 77 ILE MD . . 4.130 4.050 3.889 4.126 . 0 0 "[ . 1 . 2]" 1
1097 1 77 ILE H 1 77 ILE HG12 . . 4.250 4.154 3.881 4.250 . 0 0 "[ . 1 . 2]" 1
1098 1 77 ILE H 1 77 ILE HG13 . . 4.250 2.967 2.726 3.088 . 0 0 "[ . 1 . 2]" 1
1099 1 77 ILE H 1 90 LEU HA . . 4.910 3.686 3.569 3.865 . 0 0 "[ . 1 . 2]" 1
1100 1 77 ILE H 1 90 LEU QD . . 3.900 2.873 2.490 3.693 . 0 0 "[ . 1 . 2]" 1
1101 1 77 ILE H 1 91 SER H . . 3.700 1.929 1.804 2.195 . 0 0 "[ . 1 . 2]" 1
1102 1 77 ILE H 1 92 VAL HA . . 4.370 3.860 3.598 4.145 . 0 0 "[ . 1 . 2]" 1
1103 1 77 ILE HA 1 77 ILE HG12 . . 4.050 2.630 2.571 2.780 . 0 0 "[ . 1 . 2]" 1
1104 1 77 ILE HA 1 77 ILE HG13 . . 4.050 2.923 2.857 3.131 . 0 0 "[ . 1 . 2]" 1
1105 1 77 ILE HA 1 77 ILE MG . . 3.430 2.352 2.290 2.421 . 0 0 "[ . 1 . 2]" 1
1106 1 77 ILE HA 1 78 VAL H . . 3.090 2.223 2.192 2.281 . 0 0 "[ . 1 . 2]" 1
1107 1 77 ILE HA 1 78 VAL MG2 . . 4.300 3.493 3.333 3.700 . 0 0 "[ . 1 . 2]" 1
1108 1 77 ILE HB 1 77 ILE MD . . 3.470 2.343 2.243 2.455 . 0 0 "[ . 1 . 2]" 1
1109 1 77 ILE HB 1 78 VAL H . . 4.650 3.945 3.763 4.059 . 0 0 "[ . 1 . 2]" 1
1110 1 77 ILE HB 1 91 SER H . . 4.310 3.758 3.456 4.004 . 0 0 "[ . 1 . 2]" 1
1111 1 77 ILE HB 1 91 SER HB2 . . 5.430 4.717 3.402 5.427 . 0 0 "[ . 1 . 2]" 1
1112 1 77 ILE HB 1 91 SER QB . . 4.570 4.118 3.323 4.570 0.000 18 0 "[ . 1 . 2]" 1
1113 1 77 ILE HB 1 91 SER HB3 . . 5.430 4.845 3.640 5.417 . 0 0 "[ . 1 . 2]" 1
1114 1 77 ILE HB 1 93 GLY QA . . 5.340 4.227 3.880 4.961 . 0 0 "[ . 1 . 2]" 1
1115 1 77 ILE MD 1 92 VAL HA . . 4.720 4.293 3.863 4.676 . 0 0 "[ . 1 . 2]" 1
1116 1 77 ILE MD 1 93 GLY H . . 4.910 3.059 2.224 3.505 . 0 0 "[ . 1 . 2]" 1
1117 1 77 ILE MD 1 93 GLY HA2 . . 4.110 3.275 2.132 3.700 . 0 0 "[ . 1 . 2]" 1
1118 1 77 ILE MD 1 93 GLY QA . . 3.600 2.012 1.788 2.194 . 0 0 "[ . 1 . 2]" 1
1119 1 77 ILE MD 1 93 GLY HA3 . . 4.110 2.042 1.797 2.210 . 0 0 "[ . 1 . 2]" 1
1120 1 77 ILE QG 1 77 ILE MG . . 3.090 2.237 2.132 2.292 . 0 0 "[ . 1 . 2]" 1
1121 1 77 ILE QG 1 78 VAL H . . 4.530 4.018 3.925 4.144 . 0 0 "[ . 1 . 2]" 1
1122 1 77 ILE QG 1 93 GLY QA . . 3.910 3.535 2.918 3.911 0.001 12 0 "[ . 1 . 2]" 1
1123 1 77 ILE MG 1 78 VAL H . . 3.300 2.047 1.882 2.349 . 0 0 "[ . 1 . 2]" 1
1124 1 77 ILE MG 1 78 VAL HB . . 4.500 3.525 3.392 3.667 . 0 0 "[ . 1 . 2]" 1
1125 1 77 ILE MG 1 79 GLU HA . . 4.580 4.176 3.961 4.578 . 0 0 "[ . 1 . 2]" 1
1126 1 77 ILE MG 1 79 GLU QG . . 4.280 3.909 3.487 4.276 . 0 0 "[ . 1 . 2]" 1
1127 1 77 ILE MG 1 91 SER H . . 4.870 4.650 4.276 4.856 . 0 0 "[ . 1 . 2]" 1
1128 1 78 VAL H 1 78 VAL HB . . 3.470 2.667 2.542 2.783 . 0 0 "[ . 1 . 2]" 1
1129 1 78 VAL H 1 78 VAL MG1 . . 4.340 3.761 3.739 3.777 . 0 0 "[ . 1 . 2]" 1
1130 1 78 VAL H 1 78 VAL MG2 . . 3.190 2.067 1.869 2.304 . 0 0 "[ . 1 . 2]" 1
1131 1 78 VAL H 1 79 GLU H . . 5.110 4.500 4.475 4.569 . 0 0 "[ . 1 . 2]" 1
1132 1 78 VAL HA 1 78 VAL MG1 . . 3.290 2.270 2.147 2.404 . 0 0 "[ . 1 . 2]" 1
1133 1 78 VAL HA 1 78 VAL MG2 . . 3.220 2.442 2.313 2.530 . 0 0 "[ . 1 . 2]" 1
1134 1 78 VAL HA 1 79 GLU H . . 3.110 2.144 2.140 2.163 . 0 0 "[ . 1 . 2]" 1
1135 1 78 VAL HA 1 80 LYS H . . 4.460 3.937 3.658 4.034 . 0 0 "[ . 1 . 2]" 1
1136 1 78 VAL HA 1 90 LEU HA . . 3.750 3.098 2.769 3.370 . 0 0 "[ . 1 . 2]" 1
1137 1 78 VAL HA 1 90 LEU QD . . 3.260 2.610 2.191 3.064 . 0 0 "[ . 1 . 2]" 1
1138 1 78 VAL HB 1 79 GLU H . . 4.590 4.161 4.081 4.231 . 0 0 "[ . 1 . 2]" 1
1139 1 78 VAL MG1 1 79 GLU H . . 3.740 2.702 2.561 2.873 . 0 0 "[ . 1 . 2]" 1
1140 1 78 VAL MG1 1 79 GLU HA . . 4.570 4.014 3.756 4.215 . 0 0 "[ . 1 . 2]" 1
1141 1 78 VAL MG1 1 80 LYS H . . 3.840 2.987 2.685 3.316 . 0 0 "[ . 1 . 2]" 1
1142 1 78 VAL MG1 1 90 LEU HA . . 4.890 4.634 4.348 4.816 . 0 0 "[ . 1 . 2]" 1
1143 1 78 VAL MG2 1 79 GLU H . . 4.410 4.178 4.009 4.271 . 0 0 "[ . 1 . 2]" 1
1144 1 78 VAL MG2 1 90 LEU HA . . 4.650 4.531 4.246 4.653 0.003 4 0 "[ . 1 . 2]" 1
1145 1 79 GLU H 1 79 GLU HB2 . . 3.660 2.324 2.256 2.478 . 0 0 "[ . 1 . 2]" 1
1146 1 79 GLU H 1 79 GLU HB3 . . 3.870 3.556 3.511 3.677 . 0 0 "[ . 1 . 2]" 1
1147 1 79 GLU H 1 79 GLU HG2 . . 4.540 3.640 2.861 4.352 . 0 0 "[ . 1 . 2]" 1
1148 1 79 GLU H 1 79 GLU HG3 . . 4.540 3.778 3.180 4.335 . 0 0 "[ . 1 . 2]" 1
1149 1 79 GLU H 1 80 LYS H . . 3.270 2.181 2.035 2.282 . 0 0 "[ . 1 . 2]" 1
1150 1 79 GLU H 1 88 VAL QG . . 4.770 4.016 3.717 4.181 . 0 0 "[ . 1 . 2]" 1
1151 1 79 GLU H 1 89 SER H . . 4.950 4.112 3.926 4.527 . 0 0 "[ . 1 . 2]" 1
1152 1 79 GLU H 1 89 SER QB . . 4.900 3.087 2.557 3.694 . 0 0 "[ . 1 . 2]" 1
1153 1 79 GLU H 1 90 LEU H . . 5.500 4.880 4.583 5.098 . 0 0 "[ . 1 . 2]" 1
1154 1 79 GLU H 1 90 LEU HA . . 3.720 3.333 3.024 3.679 . 0 0 "[ . 1 . 2]" 1
1155 1 79 GLU H 1 90 LEU QD . . 4.160 3.870 3.458 4.150 . 0 0 "[ . 1 . 2]" 1
1156 1 79 GLU H 1 91 SER H . . 4.870 4.711 4.394 4.871 0.001 13 0 "[ . 1 . 2]" 1
1157 1 79 GLU HA 1 79 GLU HG2 . . 3.910 2.512 2.172 3.613 . 0 0 "[ . 1 . 2]" 1
1158 1 79 GLU HA 1 79 GLU HG3 . . 3.910 3.329 2.361 3.761 . 0 0 "[ . 1 . 2]" 1
1159 1 79 GLU HB2 1 80 LYS H . . 3.550 2.729 2.534 3.030 . 0 0 "[ . 1 . 2]" 1
1160 1 79 GLU HB2 1 89 SER QB . . 4.490 2.407 2.043 3.004 . 0 0 "[ . 1 . 2]" 1
1161 1 79 GLU HB2 1 90 LEU HA . . 4.710 4.040 3.611 4.376 . 0 0 "[ . 1 . 2]" 1
1162 1 79 GLU HB2 1 91 SER QB . . 5.340 3.911 3.260 4.715 . 0 0 "[ . 1 . 2]" 1
1163 1 79 GLU HB3 1 80 LYS H . . 3.580 3.311 3.156 3.526 . 0 0 "[ . 1 . 2]" 1
1164 1 79 GLU HB3 1 80 LYS QG . . 4.560 2.842 2.381 4.449 . 0 0 "[ . 1 . 2]" 1
1165 1 79 GLU HB3 1 89 SER HB2 . . 4.900 4.617 4.027 4.885 . 0 0 "[ . 1 . 2]" 1
1166 1 79 GLU HB3 1 89 SER QB . . 4.230 3.337 3.004 3.758 . 0 0 "[ . 1 . 2]" 1
1167 1 79 GLU HB3 1 89 SER HB3 . . 4.900 3.444 3.046 4.016 . 0 0 "[ . 1 . 2]" 1
1168 1 79 GLU QG 1 80 LYS H . . 5.010 4.294 4.045 4.530 . 0 0 "[ . 1 . 2]" 1
1169 1 79 GLU QG 1 91 SER H . . 4.760 3.713 3.276 4.738 . 0 0 "[ . 1 . 2]" 1
1170 1 79 GLU QG 1 91 SER QB . . 3.580 2.253 1.991 2.773 . 0 0 "[ . 1 . 2]" 1
1171 1 79 GLU HG2 1 91 SER HB2 . . 4.900 3.795 2.447 4.873 . 0 0 "[ . 1 . 2]" 1
1172 1 79 GLU HG2 1 91 SER HB3 . . 4.900 3.636 2.361 4.846 . 0 0 "[ . 1 . 2]" 1
1173 1 79 GLU HG3 1 91 SER HB2 . . 4.900 3.227 2.076 4.488 . 0 0 "[ . 1 . 2]" 1
1174 1 79 GLU HG3 1 91 SER HB3 . . 4.900 2.850 2.043 3.978 . 0 0 "[ . 1 . 2]" 1
1175 1 80 LYS H 1 80 LYS HB2 . . 3.820 2.780 2.591 2.961 . 0 0 "[ . 1 . 2]" 1
1176 1 80 LYS H 1 80 LYS QG . . 4.450 3.304 3.018 3.994 . 0 0 "[ . 1 . 2]" 1
1177 1 80 LYS H 1 81 VAL H . . 4.700 4.358 4.260 4.415 . 0 0 "[ . 1 . 2]" 1
1178 1 80 LYS H 1 89 SER H . . 3.620 3.238 2.902 3.558 . 0 0 "[ . 1 . 2]" 1
1179 1 80 LYS H 1 89 SER HA . . 5.230 4.762 4.411 4.955 . 0 0 "[ . 1 . 2]" 1
1180 1 80 LYS H 1 89 SER HB2 . . 4.000 3.165 1.899 3.824 . 0 0 "[ . 1 . 2]" 1
1181 1 80 LYS H 1 89 SER HB3 . . 4.000 2.363 1.906 3.412 . 0 0 "[ . 1 . 2]" 1
1182 1 80 LYS H 1 90 LEU HA . . 5.500 5.056 4.715 5.432 . 0 0 "[ . 1 . 2]" 1
1183 1 80 LYS HA 1 80 LYS QD . . 4.370 3.672 2.228 4.226 . 0 0 "[ . 1 . 2]" 1
1184 1 80 LYS HA 1 80 LYS QG . . 3.550 2.372 2.204 2.514 . 0 0 "[ . 1 . 2]" 1
1185 1 80 LYS HA 1 81 VAL H . . 2.990 2.264 2.173 2.381 . 0 0 "[ . 1 . 2]" 1
1186 1 80 LYS HB2 1 80 LYS QE . . 4.750 3.291 2.005 4.284 . 0 0 "[ . 1 . 2]" 1
1187 1 80 LYS HB2 1 81 VAL H . . 4.320 3.968 3.655 4.290 . 0 0 "[ . 1 . 2]" 1
1188 1 80 LYS HB2 1 89 SER H . . 4.670 3.877 3.299 4.229 . 0 0 "[ . 1 . 2]" 1
1189 1 80 LYS HB2 1 89 SER HB2 . . 3.580 2.543 2.001 3.066 . 0 0 "[ . 1 . 2]" 1
1190 1 80 LYS HB2 1 89 SER HB3 . . 3.580 2.847 2.212 3.247 . 0 0 "[ . 1 . 2]" 1
1191 1 80 LYS HB3 1 80 LYS QE . . 4.660 3.157 1.999 4.258 . 0 0 "[ . 1 . 2]" 1
1192 1 80 LYS HB3 1 81 VAL H . . 3.700 2.843 2.487 3.211 . 0 0 "[ . 1 . 2]" 1
1193 1 80 LYS HB3 1 89 SER HB2 . . 4.940 4.101 3.497 4.777 . 0 0 "[ . 1 . 2]" 1
1194 1 80 LYS HB3 1 89 SER QB . . 4.070 3.756 3.304 4.070 . 0 0 "[ . 1 . 2]" 1
1195 1 80 LYS HB3 1 89 SER HB3 . . 4.940 4.517 3.889 4.942 0.002 10 0 "[ . 1 . 2]" 1
1196 1 80 LYS QD 1 89 SER QB . . 5.030 4.088 2.637 5.013 . 0 0 "[ . 1 . 2]" 1
1197 1 80 LYS QG 1 81 VAL H . . 4.090 3.936 3.460 4.095 0.005 6 0 "[ . 1 . 2]" 1
1198 1 80 LYS QG 1 89 SER H . . 5.500 5.397 5.104 5.502 0.002 6 0 "[ . 1 . 2]" 1
1199 1 80 LYS QG 1 89 SER HB2 . . 4.360 4.024 3.495 4.358 . 0 0 "[ . 1 . 2]" 1
1200 1 80 LYS QG 1 89 SER HB3 . . 4.360 3.721 3.316 4.354 . 0 0 "[ . 1 . 2]" 1
1201 1 81 VAL H 1 81 VAL HB . . 3.550 2.670 2.566 2.785 . 0 0 "[ . 1 . 2]" 1
1202 1 81 VAL H 1 81 VAL MG1 . . 4.110 3.860 3.799 3.913 . 0 0 "[ . 1 . 2]" 1
1203 1 81 VAL H 1 81 VAL MG2 . . 3.520 2.801 2.596 2.955 . 0 0 "[ . 1 . 2]" 1
1204 1 81 VAL HA 1 81 VAL MG1 . . 3.390 2.371 2.235 2.471 . 0 0 "[ . 1 . 2]" 1
1205 1 81 VAL HA 1 81 VAL MG2 . . 3.510 2.345 2.207 2.517 . 0 0 "[ . 1 . 2]" 1
1206 1 81 VAL HA 1 82 LYS H . . 3.300 2.153 2.139 2.168 . 0 0 "[ . 1 . 2]" 1
1207 1 81 VAL HA 1 88 VAL HA . . 4.370 3.543 2.911 3.943 . 0 0 "[ . 1 . 2]" 1
1208 1 81 VAL HA 1 88 VAL QG . . 4.210 3.341 2.967 3.602 . 0 0 "[ . 1 . 2]" 1
1209 1 81 VAL HA 1 89 SER H . . 4.640 4.015 3.408 4.428 . 0 0 "[ . 1 . 2]" 1
1210 1 81 VAL HB 1 82 LYS H . . 4.250 4.167 4.007 4.250 . 3 0 "[ . 1 . 2]" 1
1211 1 81 VAL MG1 1 82 LYS H . . 4.000 2.503 2.195 2.721 . 0 0 "[ . 1 . 2]" 1
1212 1 82 LYS H 1 82 LYS HB2 . . 3.990 2.598 2.203 3.744 . 0 0 "[ . 1 . 2]" 1
1213 1 82 LYS H 1 82 LYS HB3 . . 3.990 2.856 2.404 3.550 . 0 0 "[ . 1 . 2]" 1
1214 1 82 LYS H 1 82 LYS QG . . 4.140 3.761 2.209 4.127 . 0 0 "[ . 1 . 2]" 1
1215 1 82 LYS H 1 87 VAL H . . 4.840 4.432 3.708 4.819 . 0 0 "[ . 1 . 2]" 1
1216 1 82 LYS H 1 88 VAL HA . . 4.250 3.699 3.220 4.110 . 0 0 "[ . 1 . 2]" 1
1217 1 82 LYS HA 1 82 LYS QD . . 4.280 2.912 1.995 4.320 0.040 4 0 "[ . 1 . 2]" 1
1218 1 82 LYS HA 1 82 LYS QG . . 3.870 2.560 2.174 3.327 . 0 0 "[ . 1 . 2]" 1
1219 1 82 LYS QB 1 83 GLY H . . 4.150 3.296 2.102 3.836 . 0 0 "[ . 1 . 2]" 1
1220 1 82 LYS QG 1 86 GLY QA . . 4.690 3.308 1.993 4.616 . 0 0 "[ . 1 . 2]" 1
1221 1 82 LYS QG 1 87 VAL H . . 4.920 2.826 2.042 4.381 . 0 0 "[ . 1 . 2]" 1
1222 1 84 ASN H 1 86 GLY H . . 5.070 3.958 3.245 4.763 . 0 0 "[ . 1 . 2]" 1
1223 1 84 ASN HA 1 86 GLY H . . 4.860 4.512 4.157 4.773 . 0 0 "[ . 1 . 2]" 1
1224 1 86 GLY H 1 87 VAL H . . 3.440 3.110 2.768 3.439 . 0 0 "[ . 1 . 2]" 1
1225 1 86 GLY H 1 87 VAL MG2 . . 5.140 4.986 4.612 5.140 . 0 0 "[ . 1 . 2]" 1
1226 1 86 GLY HA2 1 87 VAL MG2 . . 4.710 3.791 3.433 4.020 . 0 0 "[ . 1 . 2]" 1
1227 1 86 GLY HA3 1 87 VAL MG2 . . 4.710 3.375 3.100 3.609 . 0 0 "[ . 1 . 2]" 1
1228 1 87 VAL H 1 87 VAL HB . . 3.470 2.707 2.597 2.805 . 0 0 "[ . 1 . 2]" 1
1229 1 87 VAL H 1 87 VAL MG2 . . 3.420 2.806 2.484 3.045 . 0 0 "[ . 1 . 2]" 1
1230 1 87 VAL HA 1 88 VAL H . . 3.170 2.204 2.162 2.266 . 0 0 "[ . 1 . 2]" 1
1231 1 87 VAL HB 1 88 VAL H . . 4.170 4.003 3.739 4.159 . 0 0 "[ . 1 . 2]" 1
1232 1 87 VAL MG1 1 88 VAL H . . 3.320 2.270 1.917 2.504 . 0 0 "[ . 1 . 2]" 1
1233 1 88 VAL H 1 88 VAL HB . . 3.520 2.681 2.608 2.853 . 0 0 "[ . 1 . 2]" 1
1234 1 88 VAL H 1 88 VAL MG1 . . 4.150 3.858 3.833 3.901 . 0 0 "[ . 1 . 2]" 1
1235 1 88 VAL H 1 88 VAL QG . . 3.370 2.555 2.295 2.760 . 0 0 "[ . 1 . 2]" 1
1236 1 88 VAL H 1 88 VAL MG2 . . 4.150 2.595 2.312 2.823 . 0 0 "[ . 1 . 2]" 1
1237 1 88 VAL HA 1 89 SER H . . 3.230 2.200 2.184 2.203 . 0 0 "[ . 1 . 2]" 1
1238 1 88 VAL HB 1 89 SER H . . 4.120 3.926 3.735 4.005 . 0 0 "[ . 1 . 2]" 1
1239 1 88 VAL HB 1 90 LEU QD . . 4.110 3.703 2.548 4.103 . 0 0 "[ . 1 . 2]" 1
1240 1 88 VAL QG 1 89 SER H . . 3.410 2.090 1.985 2.308 . 0 0 "[ . 1 . 2]" 1
1241 1 88 VAL QG 1 89 SER HA . . 4.430 3.843 3.663 4.124 . 0 0 "[ . 1 . 2]" 1
1242 1 88 VAL QG 1 90 LEU HA . . 4.870 4.215 4.033 4.502 . 0 0 "[ . 1 . 2]" 1
1243 1 88 VAL MG1 1 89 SER H . . 4.220 2.097 1.990 2.325 . 0 0 "[ . 1 . 2]" 1
1244 1 88 VAL MG2 1 89 SER H . . 4.220 4.036 3.916 4.193 . 0 0 "[ . 1 . 2]" 1
1245 1 89 SER H 1 89 SER HB2 . . 3.690 2.552 2.271 2.854 . 0 0 "[ . 1 . 2]" 1
1246 1 89 SER H 1 89 SER QB . . 3.180 2.351 2.245 2.395 . 0 0 "[ . 1 . 2]" 1
1247 1 89 SER H 1 89 SER HB3 . . 3.690 2.937 2.512 3.593 . 0 0 "[ . 1 . 2]" 1
1248 1 89 SER HA 1 90 LEU H . . 3.060 2.151 2.138 2.217 . 0 0 "[ . 1 . 2]" 1
1249 1 89 SER HA 1 90 LEU HB2 . . 4.680 4.351 4.258 4.505 . 0 0 "[ . 1 . 2]" 1
1250 1 89 SER HA 1 90 LEU HG . . 5.360 4.684 4.278 5.390 0.030 14 0 "[ . 1 . 2]" 1
1251 1 90 LEU H 1 90 LEU HB2 . . 3.530 2.437 2.355 2.621 . 0 0 "[ . 1 . 2]" 1
1252 1 90 LEU H 1 90 LEU MD1 . . 4.300 4.092 3.727 4.292 . 0 0 "[ . 1 . 2]" 1
1253 1 90 LEU H 1 90 LEU MD2 . . 4.300 3.781 2.126 4.285 . 0 0 "[ . 1 . 2]" 1
1254 1 90 LEU H 1 90 LEU HG . . 4.490 3.568 3.244 4.246 . 0 0 "[ . 1 . 2]" 1
1255 1 90 LEU HA 1 90 LEU MD1 . . 3.880 3.532 2.266 3.856 . 0 0 "[ . 1 . 2]" 1
1256 1 90 LEU HA 1 90 LEU QD . . 3.000 2.120 1.970 2.343 . 0 0 "[ . 1 . 2]" 1
1257 1 90 LEU HA 1 90 LEU MD2 . . 3.880 2.206 1.976 2.876 . 0 0 "[ . 1 . 2]" 1
1258 1 90 LEU HA 1 90 LEU HG . . 4.200 3.009 2.651 3.805 . 0 0 "[ . 1 . 2]" 1
1259 1 90 LEU HA 1 91 SER H . . 3.230 2.291 2.222 2.344 . 0 0 "[ . 1 . 2]" 1
1260 1 90 LEU HB2 1 91 SER H . . 4.240 3.999 3.885 4.147 . 0 0 "[ . 1 . 2]" 1
1261 1 90 LEU HB3 1 91 SER H . . 3.960 2.745 2.585 2.927 . 0 0 "[ . 1 . 2]" 1
1262 1 90 LEU QD 1 91 SER H . . 3.670 2.780 2.398 3.361 . 0 0 "[ . 1 . 2]" 1
1263 1 90 LEU MD1 1 91 SER H . . 4.730 4.282 3.255 4.657 . 0 0 "[ . 1 . 2]" 1
1264 1 90 LEU MD2 1 91 SER H . . 4.730 3.027 2.407 4.624 . 0 0 "[ . 1 . 2]" 1
1265 1 91 SER H 1 92 VAL H . . 4.540 4.310 4.247 4.392 . 0 0 "[ . 1 . 2]" 1
1266 1 91 SER HA 1 92 VAL H . . 3.340 2.244 2.216 2.335 . 0 0 "[ . 1 . 2]" 1
1267 1 91 SER QB 1 92 VAL H . . 3.440 2.947 2.611 3.452 0.012 11 0 "[ . 1 . 2]" 1
1268 1 91 SER HB2 1 92 VAL H . . 4.200 3.378 2.648 4.094 . 0 0 "[ . 1 . 2]" 1
1269 1 91 SER HB3 1 92 VAL H . . 4.200 3.715 2.827 4.199 . 0 0 "[ . 1 . 2]" 1
1270 1 92 VAL H 1 92 VAL HB . . 3.620 3.112 2.410 3.645 0.025 11 0 "[ . 1 . 2]" 1
1271 1 92 VAL H 1 92 VAL MG1 . . 4.150 2.873 1.935 3.784 . 0 0 "[ . 1 . 2]" 1
1272 1 92 VAL H 1 92 VAL QG . . 3.300 2.029 1.822 2.494 . 0 0 "[ . 1 . 2]" 1
1273 1 92 VAL H 1 92 VAL MG2 . . 4.150 2.301 1.868 3.791 . 0 0 "[ . 1 . 2]" 1
1274 1 92 VAL H 1 93 GLY H . . 4.830 4.557 4.451 4.611 . 0 0 "[ . 1 . 2]" 1
1275 1 92 VAL HA 1 92 VAL MG1 . . 3.420 2.433 2.202 3.199 . 0 0 "[ . 1 . 2]" 1
1276 1 92 VAL HA 1 92 VAL MG2 . . 3.420 2.802 2.289 3.199 . 0 0 "[ . 1 . 2]" 1
1277 1 92 VAL HA 1 93 GLY H . . 3.100 2.183 2.145 2.231 . 0 0 "[ . 1 . 2]" 1
1278 1 92 VAL HB 1 93 GLY H . . 4.280 3.595 2.924 4.244 . 0 0 "[ . 1 . 2]" 1
1279 1 92 VAL QG 1 93 GLY H . . 3.630 2.940 2.132 3.597 . 0 0 "[ . 1 . 2]" 1
1280 1 93 GLY H 1 94 HIS H . . 4.080 3.417 2.045 4.080 . 0 0 "[ . 1 . 2]" 1
1281 1 93 GLY H 1 94 HIS HA . . 5.050 4.651 4.318 5.037 . 0 0 "[ . 1 . 2]" 1
1282 1 94 HIS H 1 94 HIS HA . . 2.940 2.804 2.295 2.945 0.005 12 0 "[ . 1 . 2]" 1
1283 1 94 HIS H 1 94 HIS HB2 . . 4.150 3.011 2.216 4.056 . 0 0 "[ . 1 . 2]" 1
1284 1 94 HIS H 1 94 HIS HB3 . . 4.150 3.136 2.444 3.824 . 0 0 "[ . 1 . 2]" 1
1285 1 95 SER HA 1 96 GLU H . . 3.310 2.409 2.140 2.800 . 0 0 "[ . 1 . 2]" 1
1286 1 95 SER QB 1 96 GLU H . . 4.170 3.138 1.963 4.057 . 0 0 "[ . 1 . 2]" 1
1287 1 96 GLU H 1 96 GLU HB2 . . 4.150 2.980 2.282 4.042 . 0 0 "[ . 1 . 2]" 1
1288 1 96 GLU H 1 96 GLU QB . . 3.550 2.582 2.186 3.256 . 0 0 "[ . 1 . 2]" 1
1289 1 96 GLU H 1 96 GLU HB3 . . 4.150 3.067 2.431 3.751 . 0 0 "[ . 1 . 2]" 1
1290 1 96 GLU H 1 96 GLU QG . . 4.130 3.320 1.964 4.132 0.002 9 0 "[ . 1 . 2]" 1
1291 1 96 GLU H 1 97 VAL H . . 4.370 4.013 2.593 4.370 0.000 3 0 "[ . 1 . 2]" 1
1292 1 96 GLU HA 1 96 GLU QG . . 3.920 2.808 2.276 3.456 . 0 0 "[ . 1 . 2]" 1
1293 1 96 GLU HA 1 97 VAL H . . 3.200 2.281 2.144 2.807 . 0 0 "[ . 1 . 2]" 1
1294 1 96 GLU HA 1 98 SER H . . 4.950 3.819 3.174 4.598 . 0 0 "[ . 1 . 2]" 1
1295 1 96 GLU QG 1 97 VAL H . . 5.140 3.866 2.180 4.801 . 0 0 "[ . 1 . 2]" 1
1296 1 97 VAL H 1 97 VAL MG1 . . 3.830 3.129 1.885 3.829 . 0 0 "[ . 1 . 2]" 1
1297 1 97 VAL H 1 97 VAL QG . . 3.330 2.109 1.843 2.740 . 0 0 "[ . 1 . 2]" 1
1298 1 97 VAL H 1 97 VAL MG2 . . 3.830 2.414 1.899 3.790 . 0 0 "[ . 1 . 2]" 1
1299 1 97 VAL H 1 98 SER H . . 3.750 2.660 2.003 3.712 . 0 0 "[ . 1 . 2]" 1
1300 1 97 VAL HB 1 98 SER H . . 4.110 3.315 2.194 4.111 0.001 9 0 "[ . 1 . 2]" 1
1301 1 97 VAL QG 1 98 SER H . . 4.230 2.762 1.890 3.743 . 0 0 "[ . 1 . 2]" 1
1302 1 97 VAL MG1 1 98 SER H . . 4.910 3.448 1.941 4.353 . 0 0 "[ . 1 . 2]" 1
1303 1 97 VAL MG2 1 98 SER H . . 4.910 3.355 1.895 4.251 . 0 0 "[ . 1 . 2]" 1
1304 1 98 SER H 1 98 SER QB . . 3.520 2.406 2.152 2.772 . 0 0 "[ . 1 . 2]" 1
1305 1 98 SER HA 1 99 THR H . . 3.540 2.685 2.141 3.547 0.007 10 0 "[ . 1 . 2]" 1
1306 1 99 THR H 1 99 THR MG . . 4.240 2.850 1.945 4.015 . 0 0 "[ . 1 . 2]" 1
1307 1 99 THR HA 1 99 THR MG . . 3.550 2.633 2.208 3.207 . 0 0 "[ . 1 . 2]" 1
1308 1 99 THR HA 1 100 ALA H . . 3.230 2.373 2.144 2.855 . 0 0 "[ . 1 . 2]" 1
1309 1 99 THR HB 1 100 ALA H . . 4.700 3.637 2.226 4.625 . 0 0 "[ . 1 . 2]" 1
1310 1 99 THR MG 1 100 ALA H . . 5.190 3.589 2.340 4.375 . 0 0 "[ . 1 . 2]" 1
1311 1 100 ALA H 1 100 ALA MB . . 3.550 2.291 2.034 2.830 . 0 0 "[ . 1 . 2]" 1
1312 1 100 ALA HA 1 101 ILE H . . 3.000 2.316 2.146 2.879 . 0 0 "[ . 1 . 2]" 1
1313 1 100 ALA MB 1 101 ILE H . . 3.810 2.962 2.008 3.650 . 0 0 "[ . 1 . 2]" 1
1314 1 100 ALA MB 1 101 ILE HA . . 4.460 4.334 4.093 4.462 0.002 12 0 "[ . 1 . 2]" 1
1315 1 101 ILE H 1 101 ILE HB . . 3.330 2.581 2.462 2.755 . 0 0 "[ . 1 . 2]" 1
1316 1 101 ILE H 1 101 ILE HG12 . . 3.900 3.332 1.915 3.866 . 0 0 "[ . 1 . 2]" 1
1317 1 101 ILE H 1 101 ILE QG . . 3.410 2.290 1.890 3.132 . 0 0 "[ . 1 . 2]" 1
1318 1 101 ILE H 1 101 ILE HG13 . . 3.900 2.631 1.901 3.864 . 0 0 "[ . 1 . 2]" 1
1319 1 101 ILE H 1 101 ILE MG . . 4.360 3.778 3.753 3.852 . 0 0 "[ . 1 . 2]" 1
1320 1 101 ILE HA 1 101 ILE MD . . 4.190 3.386 1.988 3.964 . 0 0 "[ . 1 . 2]" 1
1321 1 101 ILE HA 1 101 ILE QG . . 3.670 2.557 2.288 3.112 . 0 0 "[ . 1 . 2]" 1
1322 1 101 ILE HA 1 101 ILE MG . . 3.630 2.332 2.158 2.447 . 0 0 "[ . 1 . 2]" 1
1323 1 101 ILE HA 1 102 ALA H . . 2.980 2.245 2.185 2.317 . 0 0 "[ . 1 . 2]" 1
1324 1 101 ILE HA 1 102 ALA MB . . 5.140 3.933 3.838 4.054 . 0 0 "[ . 1 . 2]" 1
1325 1 101 ILE HB 1 102 ALA H . . 4.000 3.872 3.577 3.989 . 0 0 "[ . 1 . 2]" 1
1326 1 101 ILE HB 1 103 THR H . . 5.350 4.272 2.486 5.225 . 0 0 "[ . 1 . 2]" 1
1327 1 101 ILE MG 1 102 ALA H . . 4.150 2.045 1.875 2.282 . 0 0 "[ . 1 . 2]" 1
1328 1 101 ILE MG 1 103 THR H . . 4.870 2.888 1.721 4.365 . 0 0 "[ . 1 . 2]" 1
1329 1 101 ILE MG 1 103 THR HA . . 5.190 4.028 2.595 4.758 . 0 0 "[ . 1 . 2]" 1
1330 1 101 ILE MG 1 103 THR HB . . 4.710 3.551 2.330 4.654 . 0 0 "[ . 1 . 2]" 1
1331 1 102 ALA H 1 102 ALA MB . . 3.210 2.332 2.039 2.484 . 0 0 "[ . 1 . 2]" 1
1332 1 102 ALA H 1 103 THR H . . 4.530 3.400 1.803 4.288 . 0 0 "[ . 1 . 2]" 1
1333 1 102 ALA HA 1 103 THR H . . 3.430 2.621 2.145 3.468 0.038 3 0 "[ . 1 . 2]" 1
1334 1 102 ALA MB 1 103 THR H . . 3.610 3.412 2.938 3.628 0.018 5 0 "[ . 1 . 2]" 1
1335 1 103 THR H 1 103 THR HB . . 4.040 3.216 2.483 4.046 0.006 20 0 "[ . 1 . 2]" 1
1336 1 103 THR H 1 103 THR MG . . 4.020 2.747 2.059 3.964 . 0 0 "[ . 1 . 2]" 1
1337 1 103 THR H 1 104 GLU H . . 4.710 4.370 2.837 4.610 . 0 0 "[ . 1 . 2]" 1
1338 1 103 THR HA 1 103 THR MG . . 3.660 2.754 2.162 3.206 . 0 0 "[ . 1 . 2]" 1
1339 1 103 THR HA 1 104 GLU H . . 3.070 2.305 2.142 2.949 . 0 0 "[ . 1 . 2]" 1
1340 1 103 THR HB 1 104 GLU H . . 4.200 3.635 2.202 4.285 0.085 20 0 "[ . 1 . 2]" 1
1341 1 104 GLU H 1 104 GLU HB2 . . 4.100 2.822 2.252 4.042 . 0 0 "[ . 1 . 2]" 1
1342 1 104 GLU H 1 104 GLU QB . . 3.370 2.587 2.228 3.323 . 0 0 "[ . 1 . 2]" 1
1343 1 104 GLU H 1 104 GLU HB3 . . 4.100 3.445 2.419 3.887 . 0 0 "[ . 1 . 2]" 1
1344 1 104 GLU H 1 104 GLU QG . . 3.980 3.136 2.211 4.006 0.026 1 0 "[ . 1 . 2]" 1
1345 1 104 GLU HA 1 105 GLN H . . 3.460 2.473 2.140 3.463 0.003 1 0 "[ . 1 . 2]" 1
1346 1 104 GLU QB 1 105 GLN H . . 3.480 2.666 2.016 3.459 . 0 0 "[ . 1 . 2]" 1
1347 1 104 GLU QG 1 105 GLN H . . 4.520 3.715 2.213 4.379 . 0 0 "[ . 1 . 2]" 1
1348 1 105 GLN H 1 105 GLN QG . . 4.560 3.147 1.928 4.387 . 0 0 "[ . 1 . 2]" 1
1349 1 105 GLN HA 1 105 GLN QG . . 3.830 2.878 2.214 3.488 . 0 0 "[ . 1 . 2]" 1
1350 1 105 GLN QG 1 106 GLN H . . 5.070 3.717 2.106 4.568 . 0 0 "[ . 1 . 2]" 1
1351 1 106 GLN H 1 106 GLN QB . . 3.210 2.522 2.191 3.200 . 0 0 "[ . 1 . 2]" 1
1352 1 106 GLN QB 1 107 SER H . . 4.120 3.105 2.184 4.004 . 0 0 "[ . 1 . 2]" 1
1353 1 107 SER H 1 107 SER QB . . 3.830 2.573 2.245 3.083 . 0 0 "[ . 1 . 2]" 1
1354 1 107 SER HA 1 108 TRP H . . 3.410 2.237 2.138 2.516 . 0 0 "[ . 1 . 2]" 1
1355 1 107 SER QB 1 108 TRP H . . 4.220 3.309 2.178 4.007 . 0 0 "[ . 1 . 2]" 1
1356 1 108 TRP H 1 108 TRP QB . . 3.350 2.581 2.165 3.198 . 0 0 "[ . 1 . 2]" 1
1357 1 108 TRP H 1 108 TRP HD1 . . 4.530 3.693 1.957 4.504 . 0 0 "[ . 1 . 2]" 1
1358 1 108 TRP HA 1 108 TRP HD1 . . 4.430 4.034 3.282 4.409 . 0 0 "[ . 1 . 2]" 1
1359 1 108 TRP HA 1 108 TRP HE3 . . 4.560 3.615 2.307 4.540 . 0 0 "[ . 1 . 2]" 1
1360 1 108 TRP HA 1 109 ASN H . . 3.510 2.439 2.143 3.512 0.002 20 0 "[ . 1 . 2]" 1
1361 1 108 TRP QB 1 108 TRP HE3 . . 3.910 2.542 2.378 2.949 . 0 0 "[ . 1 . 2]" 1
1362 1 108 TRP QB 1 109 ASN H . . 4.060 2.863 2.077 3.901 . 0 0 "[ . 1 . 2]" 1
1363 1 109 ASN H 1 109 ASN HB2 . . 4.160 2.953 2.193 3.933 . 0 0 "[ . 1 . 2]" 1
1364 1 109 ASN H 1 109 ASN QB . . 3.650 2.627 2.172 3.370 . 0 0 "[ . 1 . 2]" 1
1365 1 109 ASN H 1 109 ASN HB3 . . 4.160 3.246 2.518 4.020 . 0 0 "[ . 1 . 2]" 1
1366 1 109 ASN HA 1 110 LEU H . . 3.420 2.335 2.140 3.411 . 0 0 "[ . 1 . 2]" 1
1367 1 109 ASN QB 1 110 LEU H . . 3.890 3.285 2.589 3.893 0.003 3 0 "[ . 1 . 2]" 1
1368 1 109 ASN HB2 1 110 LEU H . . 4.620 3.993 2.717 4.432 . 0 0 "[ . 1 . 2]" 1
1369 1 109 ASN HB3 1 110 LEU H . . 4.620 3.644 2.625 4.378 . 0 0 "[ . 1 . 2]" 1
1370 1 110 LEU H 1 110 LEU QB . . 3.080 2.519 2.224 2.945 . 0 0 "[ . 1 . 2]" 1
1371 1 110 LEU HA 1 110 LEU MD1 . . 4.140 2.816 1.999 4.085 . 0 0 "[ . 1 . 2]" 1
1372 1 110 LEU HA 1 110 LEU QD . . 3.400 2.404 1.920 3.418 0.018 16 0 "[ . 1 . 2]" 1
1373 1 110 LEU HA 1 110 LEU MD2 . . 4.140 3.287 1.960 4.002 . 0 0 "[ . 1 . 2]" 1
1374 1 110 LEU HA 1 110 LEU HG . . 4.180 3.093 2.306 3.758 . 0 0 "[ . 1 . 2]" 1
1375 1 110 LEU QB 1 111 ASN H . . 4.330 3.297 1.938 4.009 . 0 0 "[ . 1 . 2]" 1
1376 1 111 ASN H 1 111 ASN QB . . 3.920 2.754 2.226 3.350 . 0 0 "[ . 1 . 2]" 1
1377 1 112 ASN HB2 1 113 LEU H . . 5.300 3.855 2.318 4.569 . 0 0 "[ . 1 . 2]" 1
1378 1 112 ASN HB3 1 113 LEU H . . 5.300 3.842 2.567 4.614 . 0 0 "[ . 1 . 2]" 1
1379 1 113 LEU H 1 113 LEU QB . . 3.550 2.499 2.173 3.217 . 0 0 "[ . 1 . 2]" 1
1380 1 113 LEU H 1 113 LEU HG . . 4.550 3.753 1.899 4.532 . 0 0 "[ . 1 . 2]" 1
1381 1 113 LEU HA 1 113 LEU MD1 . . 3.960 3.334 2.047 3.986 0.026 5 0 "[ . 1 . 2]" 1
1382 1 113 LEU HA 1 113 LEU QD . . 3.390 2.708 1.971 3.406 0.016 5 0 "[ . 1 . 2]" 1
1383 1 113 LEU HA 1 113 LEU MD2 . . 3.960 3.240 1.977 3.979 0.019 2 0 "[ . 1 . 2]" 1
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