NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600663 |
2n11   |
25543 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n11
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 1155
_Distance_constraint_stats_list.Viol_count 821
_Distance_constraint_stats_list.Viol_total 278.840
_Distance_constraint_stats_list.Viol_max 0.140
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0170
_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 1 GLN 0.102 0.018 12 0 "[ . 1 . 2]"
1 2 GLN 0.595 0.046 8 0 "[ . 1 . 2]"
1 3 GLN 0.138 0.015 1 0 "[ . 1 . 2]"
1 4 ALA 0.154 0.015 10 0 "[ . 1 . 2]"
1 5 VAL 0.174 0.038 16 0 "[ . 1 . 2]"
1 6 LEU 0.860 0.046 8 0 "[ . 1 . 2]"
1 7 GLU 0.047 0.011 5 0 "[ . 1 . 2]"
1 8 GLN 0.210 0.025 3 0 "[ . 1 . 2]"
1 9 GLU 0.278 0.046 16 0 "[ . 1 . 2]"
1 10 ARG 0.068 0.013 14 0 "[ . 1 . 2]"
1 11 ARG 0.088 0.015 19 0 "[ . 1 . 2]"
1 12 ASP 0.103 0.013 3 0 "[ . 1 . 2]"
1 13 ARG 0.004 0.003 13 0 "[ . 1 . 2]"
1 14 GLU 0.085 0.052 10 0 "[ . 1 . 2]"
1 15 LEU 0.093 0.052 10 0 "[ . 1 . 2]"
1 16 ALA 0.004 0.003 13 0 "[ . 1 . 2]"
1 17 LEU 0.328 0.027 16 0 "[ . 1 . 2]"
1 18 ARG 0.485 0.036 14 0 "[ . 1 . 2]"
1 19 ILE 0.475 0.027 16 0 "[ . 1 . 2]"
1 20 ALA 0.524 0.036 14 0 "[ . 1 . 2]"
1 21 GLN 0.283 0.079 7 0 "[ . 1 . 2]"
1 22 SER 0.955 0.092 7 0 "[ . 1 . 2]"
1 23 GLU 1.655 0.140 7 0 "[ . 1 . 2]"
1 24 ALA 1.043 0.140 7 0 "[ . 1 . 2]"
1 25 GLU 0.275 0.032 14 0 "[ . 1 . 2]"
1 26 LEU 0.463 0.052 5 0 "[ . 1 . 2]"
1 27 ILE 0.533 0.100 15 0 "[ . 1 . 2]"
1 28 SER 1.216 0.094 9 0 "[ . 1 . 2]"
1 29 ASP 0.336 0.040 14 0 "[ . 1 . 2]"
1 30 GLU 0.296 0.029 12 0 "[ . 1 . 2]"
1 31 ALA 0.098 0.020 16 0 "[ . 1 . 2]"
1 32 GLN 0.086 0.015 16 0 "[ . 1 . 2]"
1 33 ALA 0.039 0.025 8 0 "[ . 1 . 2]"
1 34 ASP 0.097 0.038 4 0 "[ . 1 . 2]"
1 35 LEU 0.059 0.014 16 0 "[ . 1 . 2]"
1 36 ALA 0.196 0.022 20 0 "[ . 1 . 2]"
1 37 LEU 0.234 0.038 4 0 "[ . 1 . 2]"
1 38 ARG 0.190 0.026 1 0 "[ . 1 . 2]"
1 39 ARG 1.270 0.093 4 0 "[ . 1 . 2]"
1 40 SER 0.066 0.025 9 0 "[ . 1 . 2]"
1 41 LEU 0.220 0.035 17 0 "[ . 1 . 2]"
1 42 ASP 0.222 0.044 20 0 "[ . 1 . 2]"
1 43 SER 0.396 0.093 11 0 "[ . 1 . 2]"
1 44 TYR 0.298 0.093 11 0 "[ . 1 . 2]"
1 45 PRO 0.824 0.088 15 0 "[ . 1 . 2]"
1 46 VAL 1.418 0.088 15 0 "[ . 1 . 2]"
1 47 SER 0.023 0.010 1 0 "[ . 1 . 2]"
1 48 LYS 0.042 0.035 3 0 "[ . 1 . 2]"
1 49 ASN 0.049 0.035 3 0 "[ . 1 . 2]"
1 50 ASP 0.146 0.031 4 0 "[ . 1 . 2]"
1 51 GLY 0.394 0.066 19 0 "[ . 1 . 2]"
1 52 THR 0.911 0.066 19 0 "[ . 1 . 2]"
1 53 ARG 0.760 0.129 16 0 "[ . 1 . 2]"
1 54 PRO 0.882 0.129 16 0 "[ . 1 . 2]"
1 55 LYS 1.026 0.068 7 0 "[ . 1 . 2]"
1 56 MET 0.801 0.068 7 0 "[ . 1 . 2]"
1 57 THR 0.119 0.018 10 0 "[ . 1 . 2]"
1 58 PRO 0.034 0.014 16 0 "[ . 1 . 2]"
1 59 GLU 0.104 0.018 10 0 "[ . 1 . 2]"
1 60 GLN 0.311 0.052 18 0 "[ . 1 . 2]"
1 61 MET 0.140 0.020 11 0 "[ . 1 . 2]"
1 62 ALA 0.067 0.012 2 0 "[ . 1 . 2]"
1 63 LYS 0.045 0.017 7 0 "[ . 1 . 2]"
1 64 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 MET 0.196 0.053 1 0 "[ . 1 . 2]"
1 66 SER 0.183 0.053 1 0 "[ . 1 . 2]"
1 67 GLU 0.097 0.031 2 0 "[ . 1 . 2]"
1 68 PHE 0.014 0.007 3 0 "[ . 1 . 2]"
1 69 LEU 0.118 0.028 3 0 "[ . 1 . 2]"
1 70 SER 0.100 0.028 3 0 "[ . 1 . 2]"
1 71 ARG 0.030 0.016 19 0 "[ . 1 . 2]"
1 72 GLY 0.003 0.003 4 0 "[ . 1 . 2]"
1 73 PRO 0.107 0.083 1 0 "[ . 1 . 2]"
1 74 ALA 0.107 0.083 1 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 73 PRO HA 1 74 ALA H . . 3.330 2.523 2.173 3.413 0.083 1 0 "[ . 1 . 2]" 1
2 1 73 PRO QD 1 74 ALA H . . 5.460 4.465 3.110 5.028 . 0 0 "[ . 1 . 2]" 1
3 1 52 THR H 1 53 ARG H . . 4.360 3.556 2.940 4.226 . 0 0 "[ . 1 . 2]" 1
4 1 52 THR HA 1 53 ARG H . . 2.920 2.386 2.142 2.902 . 0 0 "[ . 1 . 2]" 1
5 1 53 ARG H 1 54 PRO HD2 . . 4.850 4.854 4.741 4.908 0.058 11 0 "[ . 1 . 2]" 1
6 1 53 ARG H 1 53 ARG QD . . 4.920 4.013 3.573 4.720 . 0 0 "[ . 1 . 2]" 1
7 1 53 ARG H 1 53 ARG HB2 . . 3.940 2.488 2.262 3.287 . 0 0 "[ . 1 . 2]" 1
8 1 53 ARG H 1 53 ARG HB3 . . 3.940 3.590 3.389 3.711 . 0 0 "[ . 1 . 2]" 1
9 1 52 THR MG 1 53 ARG H . . 4.260 4.188 3.372 4.305 0.045 17 0 "[ . 1 . 2]" 1
10 1 32 GLN HA 1 33 ALA H . . 3.570 3.563 3.550 3.575 0.005 14 0 "[ . 1 . 2]" 1
11 1 19 ILE H 1 20 ALA H . . 3.350 2.752 2.511 2.955 . 0 0 "[ . 1 . 2]" 1
12 1 17 LEU H 1 20 ALA H . . 5.030 4.650 4.496 4.755 . 0 0 "[ . 1 . 2]" 1
13 1 18 ARG H 1 20 ALA H . . 5.230 4.161 3.825 4.431 . 0 0 "[ . 1 . 2]" 1
14 1 20 ALA H 1 21 GLN QB . . 4.810 4.726 4.517 4.843 0.033 7 0 "[ . 1 . 2]" 1
15 1 18 ARG HB2 1 20 ALA H . . 5.500 4.977 4.795 5.124 . 0 0 "[ . 1 . 2]" 1
16 1 18 ARG HB3 1 20 ALA H . . 5.500 5.485 5.293 5.536 0.036 14 0 "[ . 1 . 2]" 1
17 1 19 ILE HB 1 20 ALA H . . 3.480 2.459 2.162 2.864 . 0 0 "[ . 1 . 2]" 1
18 1 19 ILE HG12 1 20 ALA H . . 5.070 4.764 4.635 4.986 . 0 0 "[ . 1 . 2]" 1
19 1 20 ALA H 1 20 ALA MB . . 2.860 2.230 2.206 2.252 . 0 0 "[ . 1 . 2]" 1
20 1 19 ILE HG13 1 20 ALA H . . 5.070 3.921 3.819 4.114 . 0 0 "[ . 1 . 2]" 1
21 1 29 ASP HA 1 31 ALA H . . 4.870 4.214 3.758 4.594 . 0 0 "[ . 1 . 2]" 1
22 1 29 ASP HA 1 33 ALA H . . 5.170 4.020 3.689 4.176 . 0 0 "[ . 1 . 2]" 1
23 1 29 ASP QB 1 33 ALA H . . 5.360 4.650 4.009 5.050 . 0 0 "[ . 1 . 2]" 1
24 1 32 GLN HB3 1 33 ALA H . . 3.910 3.602 3.299 3.796 . 0 0 "[ . 1 . 2]" 1
25 1 47 SER HA 1 48 LYS H . . 3.100 2.199 2.145 2.423 . 0 0 "[ . 1 . 2]" 1
26 1 47 SER HB2 1 48 LYS H . . 4.820 3.780 2.525 4.511 . 0 0 "[ . 1 . 2]" 1
27 1 47 SER HB3 1 48 LYS H . . 4.820 4.015 3.079 4.446 . 0 0 "[ . 1 . 2]" 1
28 1 48 LYS H 1 48 LYS HB2 . . 4.030 2.953 2.236 3.842 . 0 0 "[ . 1 . 2]" 1
29 1 48 LYS H 1 48 LYS HG2 . . 4.800 3.125 1.804 4.541 . 0 0 "[ . 1 . 2]" 1
30 1 48 LYS H 1 48 LYS HG3 . . 4.800 3.025 1.934 4.705 . 0 0 "[ . 1 . 2]" 1
31 1 48 LYS H 1 48 LYS HB3 . . 4.030 3.352 2.614 3.867 . 0 0 "[ . 1 . 2]" 1
32 1 28 SER HA 1 31 ALA H . . 4.660 3.998 3.758 4.163 . 0 0 "[ . 1 . 2]" 1
33 1 28 SER HB3 1 31 ALA H . . 4.940 3.716 2.980 4.956 0.016 14 0 "[ . 1 . 2]" 1
34 1 31 ALA H 1 34 ASP QB . . 5.070 4.809 4.488 5.077 0.007 8 0 "[ . 1 . 2]" 1
35 1 33 ALA H 1 34 ASP QB . . 5.360 4.595 4.461 4.716 . 0 0 "[ . 1 . 2]" 1
36 1 30 GLU HG2 1 31 ALA H . . 5.180 3.140 1.845 4.666 . 0 0 "[ . 1 . 2]" 1
37 1 30 GLU HG3 1 31 ALA H . . 5.180 3.353 1.944 4.679 . 0 0 "[ . 1 . 2]" 1
38 1 31 ALA H 1 31 ALA MB . . 2.930 2.224 2.207 2.236 . 0 0 "[ . 1 . 2]" 1
39 1 33 ALA H 1 33 ALA MB . . 3.220 2.212 2.174 2.236 . 0 0 "[ . 1 . 2]" 1
40 1 40 SER HA 1 41 LEU H . . 3.410 2.394 2.146 3.435 0.025 9 0 "[ . 1 . 2]" 1
41 1 40 SER QB 1 41 LEU H . . 4.010 3.607 1.781 4.017 0.007 2 0 "[ . 1 . 2]" 1
42 1 41 LEU H 1 41 LEU HB3 . . 3.760 3.092 2.657 3.561 . 0 0 "[ . 1 . 2]" 1
43 1 41 LEU H 1 41 LEU HB2 . . 3.760 2.382 2.150 3.505 . 0 0 "[ . 1 . 2]" 1
44 1 41 LEU H 1 41 LEU MD1 . . 4.680 3.747 2.400 4.176 . 0 0 "[ . 1 . 2]" 1
45 1 44 TYR H 1 44 TYR QD . . 4.240 2.347 1.780 2.926 . 0 0 "[ . 1 . 2]" 1
46 1 44 TYR H 1 45 PRO HD3 . . 5.230 5.001 4.898 5.058 . 0 0 "[ . 1 . 2]" 1
47 1 44 TYR H 1 44 TYR HB3 . . 3.750 3.314 2.425 3.708 . 0 0 "[ . 1 . 2]" 1
48 1 44 TYR H 1 44 TYR HB2 . . 3.750 2.796 2.133 3.588 . 0 0 "[ . 1 . 2]" 1
49 1 43 SER HB3 1 44 TYR H . . 4.820 3.149 1.780 4.647 . 0 0 "[ . 1 . 2]" 1
50 1 27 ILE H 1 29 ASP H . . 5.500 4.761 3.360 5.511 0.011 19 0 "[ . 1 . 2]" 1
51 1 28 SER HB3 1 29 ASP H . . 4.630 4.481 4.240 4.657 0.027 2 0 "[ . 1 . 2]" 1
52 1 28 SER HB2 1 29 ASP H . . 4.630 4.371 4.198 4.637 0.007 19 0 "[ . 1 . 2]" 1
53 1 29 ASP H 1 29 ASP QB . . 3.000 2.285 2.199 2.460 . 0 0 "[ . 1 . 2]" 1
54 1 29 ASP H 1 31 ALA MB . . 5.370 5.262 5.085 5.376 0.006 8 0 "[ . 1 . 2]" 1
55 1 27 ILE MG 1 29 ASP H . . 4.620 3.513 2.049 4.196 . 0 0 "[ . 1 . 2]" 1
56 1 1 GLN H1 1 1 GLN QG . . 4.180 3.043 1.843 4.070 . 0 0 "[ . 1 . 2]" 1
57 1 1 GLN H1 1 4 ALA MB . . 5.500 4.951 4.829 5.053 . 0 0 "[ . 1 . 2]" 1
58 1 22 SER HA 1 24 ALA H . . 4.690 4.306 3.993 4.497 . 0 0 "[ . 1 . 2]" 1
59 1 22 SER HB2 1 24 ALA H . . 5.500 5.335 4.635 5.511 0.011 7 0 "[ . 1 . 2]" 1
60 1 22 SER HB3 1 24 ALA H . . 5.500 4.711 4.463 5.313 . 0 0 "[ . 1 . 2]" 1
61 1 23 GLU HG2 1 24 ALA H . . 5.270 4.002 3.563 4.297 . 0 0 "[ . 1 . 2]" 1
62 1 23 GLU QB 1 24 ALA H . . 3.590 3.109 2.547 3.638 0.048 11 0 "[ . 1 . 2]" 1
63 1 24 ALA H 1 24 ALA MB . . 2.860 2.237 2.194 2.276 . 0 0 "[ . 1 . 2]" 1
64 1 19 ILE MG 1 24 ALA H . . 5.500 5.425 5.183 5.516 0.016 8 0 "[ . 1 . 2]" 1
65 1 55 LYS HA 1 56 MET H . . 2.730 2.318 2.147 2.798 0.068 7 0 "[ . 1 . 2]" 1
66 1 56 MET H 1 56 MET HB3 . . 3.730 3.292 2.470 3.661 . 0 0 "[ . 1 . 2]" 1
67 1 55 LYS HG2 1 56 MET H . . 5.180 3.995 2.679 5.180 . 0 0 "[ . 1 . 2]" 1
68 1 55 LYS HG3 1 56 MET H . . 5.180 3.812 2.210 4.981 . 0 0 "[ . 1 . 2]" 1
69 1 4 ALA H 1 5 VAL H . . 3.470 2.894 2.796 2.940 . 0 0 "[ . 1 . 2]" 1
70 1 1 GLN QG 1 4 ALA H . . 5.250 4.461 3.725 4.990 . 0 0 "[ . 1 . 2]" 1
71 1 3 GLN QG 1 4 ALA H . . 5.500 4.131 3.533 4.566 . 0 0 "[ . 1 . 2]" 1
72 1 3 GLN QB 1 4 ALA H . . 3.300 2.715 2.652 2.787 . 0 0 "[ . 1 . 2]" 1
73 1 4 ALA H 1 4 ALA MB . . 2.840 2.200 2.191 2.207 . 0 0 "[ . 1 . 2]" 1
74 1 4 ALA H 1 5 VAL MG1 . . 4.700 3.669 3.598 3.803 . 0 0 "[ . 1 . 2]" 1
75 1 4 ALA H 1 6 LEU MD1 . . 5.430 4.795 4.569 4.962 . 0 0 "[ . 1 . 2]" 1
76 1 65 MET HA 1 67 GLU H . . 4.760 4.325 3.971 4.763 0.003 7 0 "[ . 1 . 2]" 1
77 1 67 GLU H 1 68 PHE HB2 . . 5.500 4.715 4.538 4.925 . 0 0 "[ . 1 . 2]" 1
78 1 67 GLU H 1 68 PHE HB3 . . 5.500 4.919 4.716 5.186 . 0 0 "[ . 1 . 2]" 1
79 1 25 GLU HG2 1 26 LEU H . . 5.310 4.661 4.298 5.241 . 0 0 "[ . 1 . 2]" 1
80 1 25 GLU HG3 1 26 LEU H . . 5.310 5.018 4.384 5.318 0.008 7 0 "[ . 1 . 2]" 1
81 1 25 GLU HB2 1 26 LEU H . . 3.790 3.024 2.951 3.160 . 0 0 "[ . 1 . 2]" 1
82 1 26 LEU H 1 26 LEU HG . . 4.650 3.928 2.713 4.560 . 0 0 "[ . 1 . 2]" 1
83 1 70 SER HA 1 71 ARG H . . 3.480 2.453 2.145 3.336 . 0 0 "[ . 1 . 2]" 1
84 1 70 SER QB 1 71 ARG H . . 4.280 3.367 2.152 4.043 . 0 0 "[ . 1 . 2]" 1
85 1 71 ARG H 1 71 ARG HB2 . . 3.870 2.712 2.276 3.631 . 0 0 "[ . 1 . 2]" 1
86 1 55 LYS H 1 56 MET HA . . 5.080 4.731 4.214 5.114 0.034 9 0 "[ . 1 . 2]" 1
87 1 54 PRO HA 1 55 LYS H . . 2.730 2.544 2.437 2.577 . 0 0 "[ . 1 . 2]" 1
88 1 54 PRO HD3 1 55 LYS H . . 5.500 5.503 5.475 5.554 0.054 1 0 "[ . 1 . 2]" 1
89 1 54 PRO HD2 1 55 LYS H . . 5.500 5.503 5.436 5.560 0.060 11 0 "[ . 1 . 2]" 1
90 1 55 LYS H 1 55 LYS HG2 . . 5.240 3.777 1.818 5.213 . 0 0 "[ . 1 . 2]" 1
91 1 22 SER H 1 23 GLU H . . 3.590 2.663 2.535 2.796 . 0 0 "[ . 1 . 2]" 1
92 1 23 GLU H 1 24 ALA H . . 3.340 2.612 2.488 2.693 . 0 0 "[ . 1 . 2]" 1
93 1 22 SER HB3 1 23 GLU H . . 3.840 2.407 2.101 3.280 . 0 0 "[ . 1 . 2]" 1
94 1 23 GLU H 1 23 GLU HG3 . . 3.870 2.196 1.949 2.492 . 0 0 "[ . 1 . 2]" 1
95 1 23 GLU H 1 23 GLU HG2 . . 3.870 2.785 2.103 3.471 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLU H 1 23 GLU QB . . 3.150 2.554 2.310 2.779 . 0 0 "[ . 1 . 2]" 1
97 1 23 GLU H 1 24 ALA MB . . 4.360 4.299 4.199 4.377 0.017 9 0 "[ . 1 . 2]" 1
98 1 19 ILE MG 1 23 GLU H . . 4.500 3.559 3.420 3.732 . 0 0 "[ . 1 . 2]" 1
99 1 13 ARG H 1 16 ALA MB . . 4.980 4.464 4.294 4.714 . 0 0 "[ . 1 . 2]" 1
100 1 60 GLN HB2 1 62 ALA H . . 5.220 4.749 4.469 5.232 0.012 2 0 "[ . 1 . 2]" 1
101 1 61 MET HB2 1 62 ALA H . . 4.610 3.281 2.176 3.884 . 0 0 "[ . 1 . 2]" 1
102 1 61 MET HB3 1 62 ALA H . . 4.610 3.822 3.159 4.074 . 0 0 "[ . 1 . 2]" 1
103 1 62 ALA H 1 62 ALA MB . . 2.770 2.227 2.201 2.249 . 0 0 "[ . 1 . 2]" 1
104 1 12 ASP H 1 13 ARG H . . 3.660 2.957 2.780 3.060 . 0 0 "[ . 1 . 2]" 1
105 1 13 ARG H 1 16 ALA H . . 5.000 4.901 4.745 5.003 0.003 13 0 "[ . 1 . 2]" 1
106 1 10 ARG HA 1 13 ARG H . . 4.330 3.872 3.573 4.048 . 0 0 "[ . 1 . 2]" 1
107 1 11 ARG HA 1 13 ARG H . . 4.930 4.475 4.203 4.931 0.001 9 0 "[ . 1 . 2]" 1
108 1 13 ARG H 1 13 ARG QD . . 4.750 3.872 3.218 4.472 . 0 0 "[ . 1 . 2]" 1
109 1 12 ASP HB2 1 13 ARG H . . 4.090 3.755 3.635 3.891 . 0 0 "[ . 1 . 2]" 1
110 1 12 ASP HB3 1 13 ARG H . . 4.090 2.418 2.156 2.571 . 0 0 "[ . 1 . 2]" 1
111 1 13 ARG H 1 14 GLU HB2 . . 5.100 4.696 4.623 4.793 . 0 0 "[ . 1 . 2]" 1
112 1 13 ARG H 1 13 ARG HG2 . . 4.220 3.056 1.920 3.852 . 0 0 "[ . 1 . 2]" 1
113 1 13 ARG H 1 13 ARG HG3 . . 4.220 2.767 2.165 3.641 . 0 0 "[ . 1 . 2]" 1
114 1 34 ASP QB 1 35 LEU H . . 3.470 2.144 1.916 2.403 . 0 0 "[ . 1 . 2]" 1
115 1 35 LEU H 1 35 LEU HB2 . . 3.590 2.477 2.312 2.666 . 0 0 "[ . 1 . 2]" 1
116 1 35 LEU H 1 35 LEU HB3 . . 3.590 3.587 3.559 3.604 0.014 16 0 "[ . 1 . 2]" 1
117 1 35 LEU H 1 35 LEU MD1 . . 4.280 2.953 1.744 3.295 . 0 0 "[ . 1 . 2]" 1
118 1 5 VAL H 1 6 LEU H . . 3.530 2.705 2.591 2.820 . 0 0 "[ . 1 . 2]" 1
119 1 3 GLN HA 1 6 LEU H . . 4.150 3.865 3.711 4.046 . 0 0 "[ . 1 . 2]" 1
120 1 6 LEU H 1 7 GLU QG . . 5.080 4.489 4.012 4.822 . 0 0 "[ . 1 . 2]" 1
121 1 5 VAL HB 1 6 LEU H . . 4.110 4.011 3.870 4.148 0.038 16 0 "[ . 1 . 2]" 1
122 1 6 LEU H 1 6 LEU HB2 . . 3.350 2.369 2.290 2.448 . 0 0 "[ . 1 . 2]" 1
123 1 6 LEU H 1 6 LEU HG . . 3.390 2.404 2.223 2.576 . 0 0 "[ . 1 . 2]" 1
124 1 6 LEU H 1 6 LEU HB3 . . 3.650 3.577 3.555 3.595 . 0 0 "[ . 1 . 2]" 1
125 1 4 ALA MB 1 6 LEU H . . 4.890 4.142 4.009 4.286 . 0 0 "[ . 1 . 2]" 1
126 1 5 VAL MG1 1 6 LEU H . . 4.260 2.014 1.860 2.236 . 0 0 "[ . 1 . 2]" 1
127 1 6 LEU H 1 6 LEU MD1 . . 3.890 3.560 3.513 3.607 . 0 0 "[ . 1 . 2]" 1
128 1 30 GLU H 1 31 ALA H . . 3.380 2.769 2.590 2.980 . 0 0 "[ . 1 . 2]" 1
129 1 29 ASP HA 1 30 GLU H . . 3.520 3.470 3.392 3.531 0.011 7 0 "[ . 1 . 2]" 1
130 1 29 ASP QB 1 30 GLU H . . 3.420 2.990 2.606 3.429 0.009 15 0 "[ . 1 . 2]" 1
131 1 30 GLU H 1 31 ALA MB . . 4.780 4.403 4.263 4.557 . 0 0 "[ . 1 . 2]" 1
132 1 30 GLU H 1 33 ALA MB . . 5.260 4.680 4.371 4.908 . 0 0 "[ . 1 . 2]" 1
133 1 27 ILE MG 1 30 GLU H . . 5.500 5.268 4.537 5.511 0.011 13 0 "[ . 1 . 2]" 1
134 1 34 ASP QB 1 36 ALA H . . 4.820 4.486 4.281 4.765 . 0 0 "[ . 1 . 2]" 1
135 1 35 LEU HB2 1 36 ALA H . . 4.040 2.599 2.390 2.805 . 0 0 "[ . 1 . 2]" 1
136 1 35 LEU HB3 1 36 ALA H . . 4.040 3.504 3.139 3.860 . 0 0 "[ . 1 . 2]" 1
137 1 36 ALA H 1 36 ALA MB . . 2.810 2.222 2.201 2.250 . 0 0 "[ . 1 . 2]" 1
138 1 26 LEU HA 1 27 ILE H . . 2.990 2.817 2.465 3.007 0.017 18 0 "[ . 1 . 2]" 1
139 1 25 GLU HB2 1 27 ILE H . . 4.980 3.153 2.709 3.944 . 0 0 "[ . 1 . 2]" 1
140 1 25 GLU HB3 1 27 ILE H . . 5.500 3.454 2.862 4.388 . 0 0 "[ . 1 . 2]" 1
141 1 27 ILE H 1 27 ILE HB . . 3.200 2.432 2.309 2.668 . 0 0 "[ . 1 . 2]" 1
142 1 36 ALA H 1 37 LEU QB . . 5.500 4.685 4.485 4.958 . 0 0 "[ . 1 . 2]" 1
143 1 27 ILE H 1 27 ILE HG12 . . 4.210 3.528 2.580 4.310 0.100 15 0 "[ . 1 . 2]" 1
144 1 27 ILE H 1 27 ILE MG . . 3.860 3.750 3.684 3.856 . 0 0 "[ . 1 . 2]" 1
145 1 48 LYS HA 1 50 ASP H . . 5.500 4.402 3.130 5.454 . 0 0 "[ . 1 . 2]" 1
146 1 50 ASP H 1 51 GLY H . . 3.630 2.629 1.666 3.157 . 0 0 "[ . 1 . 2]" 1
147 1 49 ASN HA 1 50 ASP H . . 3.260 2.574 2.186 3.269 0.009 1 0 "[ . 1 . 2]" 1
148 1 50 ASP H 1 50 ASP HB3 . . 3.850 3.254 2.562 3.881 0.031 4 0 "[ . 1 . 2]" 1
149 1 15 LEU H 1 16 ALA MB . . 4.780 4.484 4.402 4.606 . 0 0 "[ . 1 . 2]" 1
150 1 60 GLN H 1 62 ALA MB . . 5.060 4.522 4.297 4.971 . 0 0 "[ . 1 . 2]" 1
151 1 60 GLN H 1 61 MET H . . 3.370 2.955 2.693 3.064 . 0 0 "[ . 1 . 2]" 1
152 1 57 THR HB 1 60 GLN H . . 4.420 3.904 3.009 4.324 . 0 0 "[ . 1 . 2]" 1
153 1 58 PRO HA 1 60 GLN H . . 4.850 4.605 4.259 4.853 0.003 12 0 "[ . 1 . 2]" 1
154 1 60 GLN H 1 60 GLN HG2 . . 4.090 3.294 2.082 4.052 . 0 0 "[ . 1 . 2]" 1
155 1 60 GLN H 1 60 GLN HG3 . . 4.090 2.756 2.210 4.036 . 0 0 "[ . 1 . 2]" 1
156 1 60 GLN H 1 60 GLN HB2 . . 3.320 2.368 2.150 2.490 . 0 0 "[ . 1 . 2]" 1
157 1 59 GLU HB3 1 60 GLN H . . 3.250 2.472 2.196 2.704 . 0 0 "[ . 1 . 2]" 1
158 1 59 GLU HB2 1 60 GLN H . . 3.860 3.715 3.535 3.825 . 0 0 "[ . 1 . 2]" 1
159 1 57 THR MG 1 60 GLN H . . 4.710 4.241 3.805 4.720 0.010 3 0 "[ . 1 . 2]" 1
160 1 18 ARG QD 1 19 ILE H . . 5.500 4.827 4.613 5.251 . 0 0 "[ . 1 . 2]" 1
161 1 18 ARG HB2 1 19 ILE H . . 4.600 2.463 2.316 2.637 . 0 0 "[ . 1 . 2]" 1
162 1 18 ARG HB3 1 19 ILE H . . 4.600 3.240 2.966 3.503 . 0 0 "[ . 1 . 2]" 1
163 1 19 ILE H 1 19 ILE HB . . 3.180 2.670 2.575 2.737 . 0 0 "[ . 1 . 2]" 1
164 1 15 LEU QB 1 19 ILE H . . 4.890 4.438 4.265 4.663 . 0 0 "[ . 1 . 2]" 1
165 1 19 ILE H 1 19 ILE HG12 . . 3.700 2.950 2.767 3.263 . 0 0 "[ . 1 . 2]" 1
166 1 19 ILE H 1 20 ALA MB . . 4.490 4.368 4.211 4.496 0.006 2 0 "[ . 1 . 2]" 1
167 1 19 ILE H 1 19 ILE HG13 . . 3.700 1.859 1.809 1.959 . 0 0 "[ . 1 . 2]" 1
168 1 19 ILE H 1 19 ILE MG . . 3.920 3.734 3.722 3.751 . 0 0 "[ . 1 . 2]" 1
169 1 15 LEU H 1 16 ALA H . . 3.490 3.000 2.910 3.132 . 0 0 "[ . 1 . 2]" 1
170 1 12 ASP HA 1 15 LEU H . . 4.160 4.076 3.827 4.165 0.005 9 0 "[ . 1 . 2]" 1
171 1 11 ARG HA 1 15 LEU H . . 4.250 3.741 3.290 4.018 . 0 0 "[ . 1 . 2]" 1
172 1 15 LEU H 1 18 ARG QD . . 5.500 4.339 3.821 5.184 . 0 0 "[ . 1 . 2]" 1
173 1 14 GLU HG3 1 15 LEU H . . 5.010 4.530 4.315 4.822 . 0 0 "[ . 1 . 2]" 1
174 1 14 GLU HG2 1 15 LEU H . . 5.010 4.564 4.339 4.871 . 0 0 "[ . 1 . 2]" 1
175 1 14 GLU HB2 1 15 LEU H . . 3.820 2.270 2.179 2.483 . 0 0 "[ . 1 . 2]" 1
176 1 15 LEU H 1 15 LEU QB . . 3.050 2.295 2.176 2.654 . 0 0 "[ . 1 . 2]" 1
177 1 11 ARG H 1 12 ASP H . . 3.380 2.826 2.563 2.963 . 0 0 "[ . 1 . 2]" 1
178 1 9 GLU HA 1 12 ASP H . . 3.970 3.738 3.413 3.896 . 0 0 "[ . 1 . 2]" 1
179 1 8 GLN HA 1 12 ASP H . . 4.550 3.713 3.351 4.039 . 0 0 "[ . 1 . 2]" 1
180 1 11 ARG QD 1 12 ASP H . . 5.500 4.446 4.142 4.947 . 0 0 "[ . 1 . 2]" 1
181 1 12 ASP H 1 12 ASP HB2 . . 3.630 2.435 2.288 2.567 . 0 0 "[ . 1 . 2]" 1
182 1 12 ASP H 1 12 ASP HB3 . . 3.630 2.675 2.515 2.846 . 0 0 "[ . 1 . 2]" 1
183 1 8 GLN QB 1 12 ASP H . . 5.240 5.036 4.759 5.197 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG HB2 1 12 ASP H . . 3.960 3.249 2.057 3.854 . 0 0 "[ . 1 . 2]" 1
185 1 11 ARG HG3 1 12 ASP H . . 5.380 4.432 4.187 4.820 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG HG2 1 12 ASP H . . 5.380 3.872 3.218 5.039 . 0 0 "[ . 1 . 2]" 1
187 1 8 GLN HE22 1 12 ASP H . . 5.500 4.528 3.166 5.089 . 0 0 "[ . 1 . 2]" 1
188 1 8 GLN QG 1 12 ASP H . . 4.920 4.105 3.780 4.841 . 0 0 "[ . 1 . 2]" 1
189 1 12 ASP H 1 14 GLU HB2 . . 5.410 5.085 4.675 5.251 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG HB3 1 12 ASP H . . 3.960 2.536 2.068 3.674 . 0 0 "[ . 1 . 2]" 1
191 1 1 GLN H1 1 3 GLN H . . 4.990 4.960 4.867 5.005 0.015 1 0 "[ . 1 . 2]" 1
192 1 69 LEU H 1 69 LEU HB2 . . 3.110 2.599 2.488 2.674 . 0 0 "[ . 1 . 2]" 1
193 1 69 LEU H 1 69 LEU HG . . 3.390 1.917 1.780 2.215 . 0 0 "[ . 1 . 2]" 1
194 1 69 LEU H 1 69 LEU HB3 . . 3.790 3.592 3.582 3.610 . 0 0 "[ . 1 . 2]" 1
195 1 7 GLU H 1 8 GLN H . . 3.470 2.740 2.573 2.926 . 0 0 "[ . 1 . 2]" 1
196 1 5 VAL HA 1 8 GLN H . . 4.020 3.634 3.427 3.787 . 0 0 "[ . 1 . 2]" 1
197 1 8 GLN H 1 8 GLN QB . . 2.960 2.246 2.190 2.266 . 0 0 "[ . 1 . 2]" 1
198 1 6 LEU HB3 1 8 GLN H . . 5.500 5.268 4.966 5.499 . 0 0 "[ . 1 . 2]" 1
199 1 4 ALA MB 1 8 GLN H . . 4.710 4.709 4.638 4.725 0.015 10 0 "[ . 1 . 2]" 1
200 1 5 VAL MG2 1 8 GLN H . . 5.130 4.798 4.568 4.953 . 0 0 "[ . 1 . 2]" 1
201 1 3 GLN H 1 4 ALA H . . 3.450 2.826 2.791 2.868 . 0 0 "[ . 1 . 2]" 1
202 1 2 GLN QG 1 3 GLN H . . 4.700 3.916 3.725 4.221 . 0 0 "[ . 1 . 2]" 1
203 1 3 GLN H 1 3 GLN QG . . 4.900 2.860 1.840 4.065 . 0 0 "[ . 1 . 2]" 1
204 1 2 GLN QB 1 3 GLN H . . 3.050 2.180 2.111 2.368 . 0 0 "[ . 1 . 2]" 1
205 1 3 GLN H 1 3 GLN QB . . 3.220 2.323 2.107 2.567 . 0 0 "[ . 1 . 2]" 1
206 1 3 GLN H 1 6 LEU HG . . 5.230 4.739 4.624 4.845 . 0 0 "[ . 1 . 2]" 1
207 1 3 GLN H 1 4 ALA MB . . 4.630 4.485 4.449 4.531 . 0 0 "[ . 1 . 2]" 1
208 1 3 GLN H 1 5 VAL MG1 . . 5.430 4.396 4.331 4.514 . 0 0 "[ . 1 . 2]" 1
209 1 3 GLN H 1 6 LEU MD1 . . 4.640 3.380 3.099 3.574 . 0 0 "[ . 1 . 2]" 1
210 1 45 PRO HA 1 46 VAL H . . 2.780 2.401 2.155 2.562 . 0 0 "[ . 1 . 2]" 1
211 1 45 PRO HD2 1 46 VAL H . . 5.500 5.518 5.462 5.588 0.088 15 0 "[ . 1 . 2]" 1
212 1 45 PRO HD3 1 46 VAL H . . 5.500 5.501 5.390 5.573 0.073 17 0 "[ . 1 . 2]" 1
213 1 45 PRO HB2 1 46 VAL H . . 4.210 2.979 2.326 4.133 . 0 0 "[ . 1 . 2]" 1
214 1 46 VAL H 1 46 VAL HB . . 3.860 2.976 2.385 3.697 . 0 0 "[ . 1 . 2]" 1
215 1 45 PRO QG 1 46 VAL H . . 4.780 4.286 3.949 4.760 . 0 0 "[ . 1 . 2]" 1
216 1 45 PRO HB3 1 46 VAL H . . 4.210 3.490 2.640 4.142 . 0 0 "[ . 1 . 2]" 1
217 1 46 VAL H 1 46 VAL MG1 . . 3.690 2.723 1.769 3.750 0.060 10 0 "[ . 1 . 2]" 1
218 1 46 VAL H 1 46 VAL MG2 . . 3.690 2.701 1.756 3.746 0.056 14 0 "[ . 1 . 2]" 1
219 1 69 LEU H 1 70 SER QB . . 4.850 4.631 4.334 4.860 0.010 14 0 "[ . 1 . 2]" 1
220 1 69 LEU H 1 69 LEU MD1 . . 4.400 3.291 3.176 3.437 . 0 0 "[ . 1 . 2]" 1
221 1 12 ASP HA 1 16 ALA H . . 4.620 3.715 3.335 4.002 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU QB 1 16 ALA H . . 3.410 2.230 2.070 2.370 . 0 0 "[ . 1 . 2]" 1
223 1 16 ALA H 1 16 ALA MB . . 2.900 2.241 2.197 2.259 . 0 0 "[ . 1 . 2]" 1
224 1 68 PHE H 1 68 PHE QD . . 4.630 4.167 4.097 4.201 . 0 0 "[ . 1 . 2]" 1
225 1 68 PHE QD 1 69 LEU H . . 4.930 3.384 2.857 3.946 . 0 0 "[ . 1 . 2]" 1
226 1 68 PHE H 1 68 PHE HB2 . . 3.490 2.458 2.314 2.557 . 0 0 "[ . 1 . 2]" 1
227 1 67 GLU HG2 1 68 PHE H . . 5.500 4.416 3.867 5.276 . 0 0 "[ . 1 . 2]" 1
228 1 8 GLN HA 1 11 ARG H . . 3.950 3.826 3.534 3.959 0.009 11 0 "[ . 1 . 2]" 1
229 1 11 ARG H 1 11 ARG QD . . 4.760 4.335 3.693 4.772 0.012 20 0 "[ . 1 . 2]" 1
230 1 8 GLN QB 1 11 ARG H . . 5.430 5.229 5.043 5.393 . 0 0 "[ . 1 . 2]" 1
231 1 11 ARG H 1 14 GLU HB2 . . 5.060 4.955 4.636 5.068 0.008 18 0 "[ . 1 . 2]" 1
232 1 18 ARG H 1 19 ILE H . . 3.450 2.784 2.539 2.927 . 0 0 "[ . 1 . 2]" 1
233 1 14 GLU HA 1 18 ARG H . . 4.650 4.293 4.105 4.369 . 0 0 "[ . 1 . 2]" 1
234 1 18 ARG H 1 19 ILE HA . . 5.450 5.369 5.189 5.467 0.017 14 0 "[ . 1 . 2]" 1
235 1 18 ARG H 1 18 ARG QD . . 4.580 3.676 3.514 4.231 . 0 0 "[ . 1 . 2]" 1
236 1 18 ARG H 1 18 ARG HG3 . . 4.810 2.449 2.305 2.644 . 0 0 "[ . 1 . 2]" 1
237 1 16 ALA MB 1 18 ARG H . . 5.270 4.611 4.416 4.770 . 0 0 "[ . 1 . 2]" 1
238 1 18 ARG H 1 20 ALA MB . . 5.500 4.688 4.565 4.816 . 0 0 "[ . 1 . 2]" 1
239 1 17 LEU MD2 1 18 ARG H . . 4.200 4.001 3.314 4.209 0.009 4 0 "[ . 1 . 2]" 1
240 1 1 GLN HA 1 2 GLN H . . 3.480 3.445 3.374 3.498 0.018 12 0 "[ . 1 . 2]" 1
241 1 1 GLN QG 1 2 GLN H . . 4.520 3.238 2.229 4.358 . 0 0 "[ . 1 . 2]" 1
242 1 2 GLN H 1 2 GLN QG . . 4.750 2.192 1.801 3.549 . 0 0 "[ . 1 . 2]" 1
243 1 2 GLN H 1 2 GLN QB . . 2.850 2.446 2.070 2.606 . 0 0 "[ . 1 . 2]" 1
244 1 2 GLN H 1 6 LEU HG . . 5.500 5.525 5.499 5.546 0.046 8 0 "[ . 1 . 2]" 1
245 1 2 GLN H 1 4 ALA MB . . 5.050 4.679 4.481 4.746 . 0 0 "[ . 1 . 2]" 1
246 1 2 GLN H 1 5 VAL MG1 . . 4.910 3.926 3.750 4.192 . 0 0 "[ . 1 . 2]" 1
247 1 10 ARG H 1 12 ASP H . . 4.930 4.480 3.991 4.696 . 0 0 "[ . 1 . 2]" 1
248 1 9 GLU H 1 10 ARG H . . 3.520 2.753 2.591 2.926 . 0 0 "[ . 1 . 2]" 1
249 1 10 ARG H 1 11 ARG H . . 3.580 2.863 2.587 2.986 . 0 0 "[ . 1 . 2]" 1
250 1 10 ARG H 1 10 ARG HD2 . . 5.450 4.259 3.619 4.908 . 0 0 "[ . 1 . 2]" 1
251 1 10 ARG H 1 10 ARG HD3 . . 5.450 4.419 3.562 4.946 . 0 0 "[ . 1 . 2]" 1
252 1 10 ARG H 1 10 ARG HB2 . . 3.710 2.672 2.373 3.587 . 0 0 "[ . 1 . 2]" 1
253 1 10 ARG H 1 10 ARG HB3 . . 3.710 3.345 2.352 3.605 . 0 0 "[ . 1 . 2]" 1
254 1 10 ARG H 1 10 ARG HG2 . . 4.410 2.812 1.932 3.626 . 0 0 "[ . 1 . 2]" 1
255 1 10 ARG H 1 10 ARG HG3 . . 4.410 2.910 2.014 3.827 . 0 0 "[ . 1 . 2]" 1
256 1 2 GLN H 1 5 VAL H . . 5.500 4.958 4.865 5.020 . 0 0 "[ . 1 . 2]" 1
257 1 5 VAL H 1 7 GLU H . . 5.500 4.709 4.468 4.962 . 0 0 "[ . 1 . 2]" 1
258 1 1 GLN QG 1 5 VAL H . . 4.790 3.694 2.676 4.759 . 0 0 "[ . 1 . 2]" 1
259 1 5 VAL H 1 5 VAL HB . . 3.070 2.615 2.477 2.698 . 0 0 "[ . 1 . 2]" 1
260 1 5 VAL H 1 6 LEU HG . . 4.900 4.585 4.462 4.650 . 0 0 "[ . 1 . 2]" 1
261 1 5 VAL H 1 5 VAL MG2 . . 3.770 3.744 3.731 3.752 . 0 0 "[ . 1 . 2]" 1
262 1 5 VAL H 1 6 LEU HB2 . . 5.070 4.764 4.668 4.860 . 0 0 "[ . 1 . 2]" 1
263 1 27 ILE H 1 28 SER H . . 3.530 2.338 1.848 3.363 . 0 0 "[ . 1 . 2]" 1
264 1 28 SER H 1 28 SER HB2 . . 3.620 3.019 2.354 3.684 0.064 14 0 "[ . 1 . 2]" 1
265 1 28 SER H 1 29 ASP QB . . 5.450 5.104 4.049 5.473 0.023 3 0 "[ . 1 . 2]" 1
266 1 25 GLU HB2 1 28 SER H . . 5.330 4.613 3.531 5.335 0.005 14 0 "[ . 1 . 2]" 1
267 1 25 GLU HB3 1 28 SER H . . 5.500 5.132 3.658 5.514 0.014 14 0 "[ . 1 . 2]" 1
268 1 27 ILE HB 1 28 SER H . . 3.610 2.606 1.744 3.267 . 0 0 "[ . 1 . 2]" 1
269 1 27 ILE MG 1 28 SER H . . 3.700 3.152 1.742 3.706 0.006 16 0 "[ . 1 . 2]" 1
270 1 7 GLU H 1 8 GLN HA . . 5.500 5.340 5.197 5.488 . 0 0 "[ . 1 . 2]" 1
271 1 4 ALA MB 1 7 GLU H . . 5.500 4.963 4.766 5.105 . 0 0 "[ . 1 . 2]" 1
272 1 6 LEU H 1 7 GLU H . . 3.510 2.893 2.675 3.036 . 0 0 "[ . 1 . 2]" 1
273 1 3 GLN HA 1 7 GLU H . . 4.450 3.399 3.251 3.579 . 0 0 "[ . 1 . 2]" 1
274 1 5 VAL HA 1 7 GLU H . . 5.260 4.976 4.698 5.263 0.003 5 0 "[ . 1 . 2]" 1
275 1 7 GLU H 1 7 GLU QG . . 3.530 2.292 2.110 2.496 . 0 0 "[ . 1 . 2]" 1
276 1 7 GLU H 1 7 GLU HB2 . . 3.670 2.820 2.356 3.595 . 0 0 "[ . 1 . 2]" 1
277 1 7 GLU H 1 7 GLU HB3 . . 3.670 3.153 2.313 3.599 . 0 0 "[ . 1 . 2]" 1
278 1 6 LEU HB2 1 7 GLU H . . 3.790 2.265 2.119 2.410 . 0 0 "[ . 1 . 2]" 1
279 1 6 LEU HG 1 7 GLU H . . 4.530 4.367 4.294 4.448 . 0 0 "[ . 1 . 2]" 1
280 1 6 LEU HB3 1 7 GLU H . . 3.890 3.059 2.826 3.302 . 0 0 "[ . 1 . 2]" 1
281 1 5 VAL MG1 1 7 GLU H . . 5.500 4.486 4.301 4.706 . 0 0 "[ . 1 . 2]" 1
282 1 6 LEU MD1 1 7 GLU H . . 4.760 4.202 4.071 4.350 . 0 0 "[ . 1 . 2]" 1
283 1 6 LEU MD2 1 7 GLU H . . 5.240 4.505 4.407 4.592 . 0 0 "[ . 1 . 2]" 1
284 1 36 ALA HA 1 39 ARG H . . 4.640 3.552 3.276 3.940 . 0 0 "[ . 1 . 2]" 1
285 1 39 ARG H 1 39 ARG HG2 . . 4.500 3.592 1.853 4.515 0.015 16 0 "[ . 1 . 2]" 1
286 1 34 ASP HA 1 38 ARG H . . 4.950 4.069 3.762 4.379 . 0 0 "[ . 1 . 2]" 1
287 1 38 ARG H 1 38 ARG QD . . 4.650 4.397 3.757 4.658 0.008 15 0 "[ . 1 . 2]" 1
288 1 34 ASP QB 1 38 ARG H . . 5.500 4.947 4.477 5.349 . 0 0 "[ . 1 . 2]" 1
289 1 37 LEU QB 1 38 ARG H . . 3.780 2.847 2.550 3.657 . 0 0 "[ . 1 . 2]" 1
290 1 38 ARG H 1 38 ARG HG2 . . 4.840 4.211 2.704 4.678 . 0 0 "[ . 1 . 2]" 1
291 1 37 LEU MD1 1 38 ARG H . . 5.500 4.396 3.139 4.821 . 0 0 "[ . 1 . 2]" 1
292 1 37 LEU MD2 1 38 ARG H . . 5.500 4.716 3.854 4.930 . 0 0 "[ . 1 . 2]" 1
293 1 57 THR HA 1 61 MET H . . 5.500 5.218 4.864 5.507 0.007 19 0 "[ . 1 . 2]" 1
294 1 58 PRO HA 1 61 MET H . . 4.140 4.005 3.488 4.146 0.006 18 0 "[ . 1 . 2]" 1
295 1 61 MET H 1 61 MET QG . . 3.610 2.022 1.789 2.298 . 0 0 "[ . 1 . 2]" 1
296 1 60 GLN HB2 1 61 MET H . . 3.660 2.264 2.082 2.512 . 0 0 "[ . 1 . 2]" 1
297 1 60 GLN HB3 1 61 MET H . . 3.380 3.016 2.656 3.377 . 0 0 "[ . 1 . 2]" 1
298 1 61 MET H 1 62 ALA MB . . 4.720 4.430 4.326 4.550 . 0 0 "[ . 1 . 2]" 1
299 1 12 ASP H 1 14 GLU H . . 4.900 4.455 4.089 4.614 . 0 0 "[ . 1 . 2]" 1
300 1 12 ASP HA 1 14 GLU H . . 5.030 4.821 4.639 4.944 . 0 0 "[ . 1 . 2]" 1
301 1 14 GLU H 1 14 GLU HG3 . . 3.890 3.014 2.196 3.598 . 0 0 "[ . 1 . 2]" 1
302 1 14 GLU H 1 14 GLU HG2 . . 3.890 2.816 2.238 3.680 . 0 0 "[ . 1 . 2]" 1
303 1 14 GLU H 1 14 GLU HB2 . . 3.190 2.414 2.346 2.446 . 0 0 "[ . 1 . 2]" 1
304 1 63 LYS H 1 63 LYS HD2 . . 5.500 4.566 4.046 5.167 . 0 0 "[ . 1 . 2]" 1
305 1 63 LYS H 1 63 LYS HD3 . . 5.500 4.667 3.668 5.120 . 0 0 "[ . 1 . 2]" 1
306 1 59 GLU HA 1 63 LYS H . . 4.250 3.737 3.378 3.992 . 0 0 "[ . 1 . 2]" 1
307 1 59 GLU HG2 1 63 LYS H . . 5.500 4.344 3.901 5.517 0.017 7 0 "[ . 1 . 2]" 1
308 1 59 GLU HG3 1 63 LYS H . . 5.500 4.732 3.755 5.426 . 0 0 "[ . 1 . 2]" 1
309 1 59 GLU HB3 1 63 LYS H . . 5.500 5.413 5.221 5.503 0.003 19 0 "[ . 1 . 2]" 1
310 1 63 LYS H 1 63 LYS HB2 . . 3.600 2.399 2.284 2.603 . 0 0 "[ . 1 . 2]" 1
311 1 63 LYS H 1 63 LYS HB3 . . 3.600 2.850 2.464 3.580 . 0 0 "[ . 1 . 2]" 1
312 1 62 ALA MB 1 63 LYS H . . 3.280 2.273 2.112 2.558 . 0 0 "[ . 1 . 2]" 1
313 1 49 ASN H 1 49 ASN HB3 . . 4.090 3.561 2.455 4.065 . 0 0 "[ . 1 . 2]" 1
314 1 49 ASN H 1 49 ASN HB2 . . 4.090 3.065 2.331 4.008 . 0 0 "[ . 1 . 2]" 1
315 1 48 LYS HB2 1 49 ASN H . . 4.560 3.655 2.307 4.520 . 0 0 "[ . 1 . 2]" 1
316 1 48 LYS HB3 1 49 ASN H . . 4.560 3.431 2.302 4.157 . 0 0 "[ . 1 . 2]" 1
317 1 48 LYS HG3 1 49 ASN H . . 5.500 4.465 2.857 5.535 0.035 3 0 "[ . 1 . 2]" 1
318 1 46 VAL HA 1 47 SER H . . 2.890 2.205 2.150 2.333 . 0 0 "[ . 1 . 2]" 1
319 1 47 SER H 1 47 SER HB2 . . 3.760 3.086 2.532 3.754 . 0 0 "[ . 1 . 2]" 1
320 1 46 VAL HB 1 47 SER H . . 4.470 3.811 2.630 4.478 0.008 17 0 "[ . 1 . 2]" 1
321 1 46 VAL MG1 1 47 SER H . . 4.630 3.497 2.421 4.040 . 0 0 "[ . 1 . 2]" 1
322 1 46 VAL MG2 1 47 SER H . . 4.630 3.373 1.924 4.291 . 0 0 "[ . 1 . 2]" 1
323 1 41 LEU HA 1 42 ASP H . . 3.530 3.444 3.290 3.558 0.028 12 0 "[ . 1 . 2]" 1
324 1 40 SER QB 1 42 ASP H . . 4.650 3.697 2.516 4.600 . 0 0 "[ . 1 . 2]" 1
325 1 42 ASP H 1 42 ASP HB3 . . 4.020 2.925 2.443 3.610 . 0 0 "[ . 1 . 2]" 1
326 1 41 LEU HB3 1 42 ASP H . . 3.970 3.391 2.623 3.989 0.019 17 0 "[ . 1 . 2]" 1
327 1 41 LEU HB2 1 42 ASP H . . 3.970 3.592 2.828 3.998 0.028 13 0 "[ . 1 . 2]" 1
328 1 41 LEU MD1 1 42 ASP H . . 5.500 4.672 3.073 4.945 . 0 0 "[ . 1 . 2]" 1
329 1 41 LEU MD2 1 42 ASP H . . 5.500 4.303 3.467 5.337 . 0 0 "[ . 1 . 2]" 1
330 1 63 LYS H 1 64 GLU H . . 3.380 2.812 2.519 3.013 . 0 0 "[ . 1 . 2]" 1
331 1 64 GLU H 1 64 GLU HG3 . . 3.780 2.989 2.044 3.626 . 0 0 "[ . 1 . 2]" 1
332 1 64 GLU H 1 64 GLU HG2 . . 3.780 2.745 2.017 3.607 . 0 0 "[ . 1 . 2]" 1
333 1 63 LYS HB2 1 64 GLU H . . 4.050 3.442 2.269 3.973 . 0 0 "[ . 1 . 2]" 1
334 1 63 LYS HB3 1 64 GLU H . . 4.050 2.557 2.036 3.620 . 0 0 "[ . 1 . 2]" 1
335 1 62 ALA MB 1 64 GLU H . . 5.230 4.504 4.271 4.752 . 0 0 "[ . 1 . 2]" 1
336 1 9 GLU H 1 11 ARG H . . 4.530 4.226 3.975 4.428 . 0 0 "[ . 1 . 2]" 1
337 1 8 GLN H 1 9 GLU H . . 3.600 2.696 2.536 2.830 . 0 0 "[ . 1 . 2]" 1
338 1 5 VAL HA 1 9 GLU H . . 4.530 3.811 3.618 4.084 . 0 0 "[ . 1 . 2]" 1
339 1 8 GLN QG 1 9 GLU H . . 4.160 3.705 3.405 4.185 0.025 3 0 "[ . 1 . 2]" 1
340 1 8 GLN QB 1 9 GLU H . . 3.150 2.494 2.264 2.648 . 0 0 "[ . 1 . 2]" 1
341 1 9 GLU H 1 9 GLU HB3 . . 3.960 3.502 2.396 3.575 . 0 0 "[ . 1 . 2]" 1
342 1 5 VAL MG2 1 9 GLU H . . 4.530 3.817 3.657 4.000 . 0 0 "[ . 1 . 2]" 1
343 1 9 GLU H 1 12 ASP H . . 5.350 4.703 4.454 4.957 . 0 0 "[ . 1 . 2]" 1
344 1 9 GLU H 1 12 ASP HB2 . . 5.500 5.232 4.914 5.482 . 0 0 "[ . 1 . 2]" 1
345 1 9 GLU H 1 12 ASP HB3 . . 5.500 5.117 4.793 5.500 . 0 0 "[ . 1 . 2]" 1
346 1 6 LEU HB2 1 9 GLU H . . 5.500 5.491 5.328 5.546 0.046 16 0 "[ . 1 . 2]" 1
347 1 6 LEU HB3 1 9 GLU H . . 5.500 5.403 5.266 5.508 0.008 16 0 "[ . 1 . 2]" 1
348 1 5 VAL MG1 1 9 GLU H . . 5.500 4.976 4.869 5.083 . 0 0 "[ . 1 . 2]" 1
349 1 34 ASP HA 1 37 LEU H . . 4.130 3.517 3.330 3.855 . 0 0 "[ . 1 . 2]" 1
350 1 34 ASP QB 1 37 LEU H . . 5.170 4.912 4.674 5.143 . 0 0 "[ . 1 . 2]" 1
351 1 37 LEU H 1 37 LEU HG . . 3.530 2.366 1.882 2.729 . 0 0 "[ . 1 . 2]" 1
352 1 37 LEU H 1 37 LEU QB . . 2.870 2.375 2.269 2.567 . 0 0 "[ . 1 . 2]" 1
353 1 36 ALA MB 1 37 LEU H . . 3.340 2.390 2.127 2.646 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU H 1 37 LEU MD1 . . 4.520 3.280 3.108 3.989 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU H 1 37 LEU MD2 . . 4.520 3.663 3.008 4.020 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU H 1 19 ILE H . . 4.320 4.259 4.107 4.347 0.027 16 0 "[ . 1 . 2]" 1
357 1 14 GLU HA 1 17 LEU H . . 4.090 3.803 3.641 3.931 . 0 0 "[ . 1 . 2]" 1
358 1 14 GLU HB2 1 17 LEU H . . 5.500 5.450 5.333 5.506 0.006 10 0 "[ . 1 . 2]" 1
359 1 17 LEU H 1 17 LEU HB3 . . 3.470 2.678 2.524 2.732 . 0 0 "[ . 1 . 2]" 1
360 1 17 LEU H 1 17 LEU HB2 . . 3.470 2.413 2.356 2.558 . 0 0 "[ . 1 . 2]" 1
361 1 16 ALA MB 1 17 LEU H . . 3.320 2.584 2.498 2.653 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU H 1 17 LEU MD1 . . 4.480 3.946 3.848 4.275 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU H 1 17 LEU MD2 . . 4.860 4.320 4.136 4.339 . 0 0 "[ . 1 . 2]" 1
364 1 62 ALA HA 1 65 MET H . . 4.080 3.848 3.587 4.072 . 0 0 "[ . 1 . 2]" 1
365 1 65 MET H 1 65 MET HG2 . . 4.400 2.963 2.223 3.716 . 0 0 "[ . 1 . 2]" 1
366 1 65 MET H 1 65 MET HG3 . . 4.400 3.091 2.138 3.809 . 0 0 "[ . 1 . 2]" 1
367 1 62 ALA MB 1 65 MET H . . 5.050 4.843 4.667 5.019 . 0 0 "[ . 1 . 2]" 1
368 1 34 ASP H 1 34 ASP QB . . 2.860 2.307 2.197 2.431 . 0 0 "[ . 1 . 2]" 1
369 1 34 ASP H 1 37 LEU QB . . 5.500 5.005 4.644 5.510 0.010 4 0 "[ . 1 . 2]" 1
370 1 33 ALA MB 1 34 ASP H . . 3.190 2.332 1.969 2.606 . 0 0 "[ . 1 . 2]" 1
371 1 22 SER HB3 1 25 GLU H . . 5.500 5.407 5.234 5.509 0.009 3 0 "[ . 1 . 2]" 1
372 1 24 ALA MB 1 25 GLU H . . 3.330 2.500 2.382 2.625 . 0 0 "[ . 1 . 2]" 1
373 1 22 SER HA 1 25 GLU H . . 4.300 3.524 3.402 3.632 . 0 0 "[ . 1 . 2]" 1
374 1 25 GLU H 1 25 GLU HG2 . . 3.940 2.831 2.348 3.843 . 0 0 "[ . 1 . 2]" 1
375 1 25 GLU H 1 25 GLU HG3 . . 3.940 3.365 2.399 3.745 . 0 0 "[ . 1 . 2]" 1
376 1 25 GLU H 1 25 GLU HB2 . . 3.100 2.359 2.310 2.465 . 0 0 "[ . 1 . 2]" 1
377 1 29 ASP HA 1 32 GLN H . . 4.380 3.406 3.143 3.629 . 0 0 "[ . 1 . 2]" 1
378 1 32 GLN H 1 32 GLN HG3 . . 4.210 3.388 3.262 3.551 . 0 0 "[ . 1 . 2]" 1
379 1 31 ALA MB 1 32 GLN H . . 3.320 2.275 2.100 2.401 . 0 0 "[ . 1 . 2]" 1
380 1 30 GLU H 1 32 GLN H . . 4.880 4.443 4.185 4.647 . 0 0 "[ . 1 . 2]" 1
381 1 29 ASP QB 1 32 GLN H . . 5.500 5.037 4.567 5.324 . 0 0 "[ . 1 . 2]" 1
382 1 32 GLN H 1 34 ASP QB . . 5.500 4.988 4.700 5.217 . 0 0 "[ . 1 . 2]" 1
383 1 21 GLN H 1 21 GLN HG3 . . 4.280 3.163 2.359 4.091 . 0 0 "[ . 1 . 2]" 1
384 1 21 GLN H 1 21 GLN QB . . 3.070 2.332 2.155 2.408 . 0 0 "[ . 1 . 2]" 1
385 1 20 ALA MB 1 21 GLN H . . 3.610 2.365 2.128 2.512 . 0 0 "[ . 1 . 2]" 1
386 1 59 GLU H 1 61 MET H . . 4.770 4.613 4.330 4.777 0.007 14 0 "[ . 1 . 2]" 1
387 1 59 GLU H 1 60 GLN H . . 3.580 2.710 2.569 2.892 . 0 0 "[ . 1 . 2]" 1
388 1 57 THR HB 1 59 GLU H . . 3.480 3.159 2.682 3.487 0.007 12 0 "[ . 1 . 2]" 1
389 1 58 PRO HB2 1 59 GLU H . . 4.290 2.585 2.318 3.248 . 0 0 "[ . 1 . 2]" 1
390 1 59 GLU H 1 60 GLN HB2 . . 5.480 4.709 4.520 4.808 . 0 0 "[ . 1 . 2]" 1
391 1 59 GLU H 1 59 GLU HB3 . . 3.260 2.679 2.592 2.757 . 0 0 "[ . 1 . 2]" 1
392 1 59 GLU H 1 59 GLU HB2 . . 3.270 2.403 2.329 2.488 . 0 0 "[ . 1 . 2]" 1
393 1 57 THR MG 1 59 GLU H . . 4.540 4.470 4.184 4.558 0.018 10 0 "[ . 1 . 2]" 1
394 1 21 GLN H 1 22 SER HB2 . . 5.290 4.760 4.533 5.210 . 0 0 "[ . 1 . 2]" 1
395 1 17 LEU MD2 1 21 GLN H . . 5.500 5.244 4.091 5.506 0.006 2 0 "[ . 1 . 2]" 1
396 1 21 GLN H 1 22 SER H . . 3.520 2.547 2.484 2.620 . 0 0 "[ . 1 . 2]" 1
397 1 20 ALA H 1 22 SER H . . 4.960 3.875 3.717 3.961 . 0 0 "[ . 1 . 2]" 1
398 1 22 SER H 1 24 ALA H . . 5.500 3.710 3.545 3.831 . 0 0 "[ . 1 . 2]" 1
399 1 38 ARG H 1 40 SER H . . 5.490 3.777 3.486 4.035 . 0 0 "[ . 1 . 2]" 1
400 1 21 GLN HG2 1 22 SER H . . 5.500 4.402 2.005 5.265 . 0 0 "[ . 1 . 2]" 1
401 1 21 GLN QB 1 22 SER H . . 3.480 2.952 2.650 3.559 0.079 7 0 "[ . 1 . 2]" 1
402 1 22 SER H 1 23 GLU QB . . 4.810 4.828 4.727 4.902 0.092 7 0 "[ . 1 . 2]" 1
403 1 20 ALA MB 1 22 SER H . . 4.570 4.241 4.077 4.418 . 0 0 "[ . 1 . 2]" 1
404 1 22 SER H 1 22 SER HB3 . . 4.130 2.763 2.339 3.592 . 0 0 "[ . 1 . 2]" 1
405 1 39 ARG HB2 1 40 SER H . . 4.900 4.127 3.645 4.410 . 0 0 "[ . 1 . 2]" 1
406 1 37 LEU QB 1 40 SER H . . 5.500 4.866 4.703 5.108 . 0 0 "[ . 1 . 2]" 1
407 1 19 ILE MG 1 22 SER H . . 5.060 4.470 4.124 4.940 . 0 0 "[ . 1 . 2]" 1
408 1 8 GLN HE21 1 12 ASP HA . . 5.500 4.129 3.517 4.709 . 0 0 "[ . 1 . 2]" 1
409 1 8 GLN HA 1 8 GLN HE21 . . 4.800 2.771 2.153 3.518 . 0 0 "[ . 1 . 2]" 1
410 1 8 GLN HE22 1 12 ASP HA . . 5.500 5.025 3.704 5.506 0.006 2 0 "[ . 1 . 2]" 1
411 1 8 GLN HA 1 8 GLN HE22 . . 4.800 3.342 2.986 4.135 . 0 0 "[ . 1 . 2]" 1
412 1 8 GLN HE22 1 8 GLN QG . . 3.420 3.309 3.281 3.355 . 0 0 "[ . 1 . 2]" 1
413 1 8 GLN QB 1 8 GLN HE22 . . 4.780 4.185 4.033 4.357 . 0 0 "[ . 1 . 2]" 1
414 1 62 ALA HA 1 66 SER H . . 4.580 3.844 3.436 4.165 . 0 0 "[ . 1 . 2]" 1
415 1 63 LYS HA 1 66 SER H . . 4.860 3.790 3.517 4.000 . 0 0 "[ . 1 . 2]" 1
416 1 65 MET HB2 1 66 SER H . . 4.700 2.561 2.179 3.854 . 0 0 "[ . 1 . 2]" 1
417 1 65 MET HB3 1 66 SER H . . 4.700 3.242 3.017 3.746 . 0 0 "[ . 1 . 2]" 1
418 1 56 MET HA 1 57 THR H . . 2.810 2.176 2.145 2.289 . 0 0 "[ . 1 . 2]" 1
419 1 57 THR H 1 60 GLN HB2 . . 3.430 2.607 2.180 3.402 . 0 0 "[ . 1 . 2]" 1
420 1 57 THR H 1 57 THR MG . . 3.150 2.234 1.690 2.936 . 0 0 "[ . 1 . 2]" 1
421 1 69 LEU HA 1 70 SER H . . 3.510 3.428 3.343 3.538 0.028 3 0 "[ . 1 . 2]" 1
422 1 70 SER H 1 70 SER QB . . 3.400 2.531 2.256 3.027 . 0 0 "[ . 1 . 2]" 1
423 1 68 PHE HB2 1 70 SER H . . 5.500 5.287 5.001 5.507 0.007 3 0 "[ . 1 . 2]" 1
424 1 68 PHE HB3 1 70 SER H . . 5.500 4.536 4.300 4.827 . 0 0 "[ . 1 . 2]" 1
425 1 69 LEU HB2 1 70 SER H . . 3.880 3.076 2.566 3.375 . 0 0 "[ . 1 . 2]" 1
426 1 69 LEU HB3 1 70 SER H . . 4.300 4.066 3.729 4.294 . 0 0 "[ . 1 . 2]" 1
427 1 69 LEU MD1 1 70 SER H . . 5.370 4.687 4.321 4.982 . 0 0 "[ . 1 . 2]" 1
428 1 69 LEU MD2 1 70 SER H . . 5.500 4.742 4.556 4.879 . 0 0 "[ . 1 . 2]" 1
429 1 43 SER H 1 43 SER HB2 . . 4.070 2.947 2.302 3.725 . 0 0 "[ . 1 . 2]" 1
430 1 43 SER H 1 43 SER HB3 . . 4.070 2.688 2.290 3.572 . 0 0 "[ . 1 . 2]" 1
431 1 42 ASP HB2 1 43 SER H . . 5.000 4.130 2.840 4.519 . 0 0 "[ . 1 . 2]" 1
432 1 42 ASP HB3 1 43 SER H . . 5.000 3.950 2.938 4.545 . 0 0 "[ . 1 . 2]" 1
433 1 41 LEU HB3 1 43 SER H . . 5.460 4.738 4.105 5.458 . 0 0 "[ . 1 . 2]" 1
434 1 41 LEU HB2 1 43 SER H . . 5.460 5.114 4.834 5.348 . 0 0 "[ . 1 . 2]" 1
435 1 41 LEU MD1 1 43 SER H . . 5.500 4.923 4.579 5.343 . 0 0 "[ . 1 . 2]" 1
436 1 41 LEU MD2 1 43 SER H . . 5.500 5.141 4.713 5.535 0.035 17 0 "[ . 1 . 2]" 1
437 1 51 GLY H 1 52 THR H . . 3.740 2.506 2.072 2.889 . 0 0 "[ . 1 . 2]" 1
438 1 52 THR H 1 52 THR HB . . 3.830 3.563 2.744 3.872 0.042 7 0 "[ . 1 . 2]" 1
439 1 52 THR H 1 52 THR MG . . 3.990 2.746 1.750 3.875 . 0 0 "[ . 1 . 2]" 1
440 1 32 GLN HA 1 32 GLN HE21 . . 5.210 3.369 2.306 4.152 . 0 0 "[ . 1 . 2]" 1
441 1 31 ALA MB 1 32 GLN HE21 . . 5.060 3.350 1.890 5.063 0.003 14 0 "[ . 1 . 2]" 1
442 1 32 GLN HA 1 32 GLN HE22 . . 5.210 3.628 2.985 4.550 . 0 0 "[ . 1 . 2]" 1
443 1 31 ALA MB 1 32 GLN HE22 . . 5.060 3.737 1.877 4.713 . 0 0 "[ . 1 . 2]" 1
444 1 3 GLN HE22 1 6 LEU MD1 . . 4.760 3.809 3.603 4.512 . 0 0 "[ . 1 . 2]" 1
445 1 3 GLN HA 1 3 GLN HE21 . . 5.500 1.997 1.772 2.432 . 0 0 "[ . 1 . 2]" 1
446 1 3 GLN HE21 1 6 LEU MD1 . . 4.760 3.066 2.443 3.839 . 0 0 "[ . 1 . 2]" 1
447 1 3 GLN HA 1 3 GLN HE22 . . 5.500 3.139 2.926 3.293 . 0 0 "[ . 1 . 2]" 1
448 1 2 GLN HE22 1 6 LEU HG . . 5.500 4.816 3.971 5.512 0.012 16 0 "[ . 1 . 2]" 1
449 1 2 GLN HE22 1 6 LEU MD1 . . 5.400 3.657 2.839 4.615 . 0 0 "[ . 1 . 2]" 1
450 1 2 GLN HE22 1 6 LEU MD2 . . 5.500 4.328 3.486 4.826 . 0 0 "[ . 1 . 2]" 1
451 1 2 GLN HE21 1 6 LEU HG . . 5.500 4.187 3.572 5.504 0.004 1 0 "[ . 1 . 2]" 1
452 1 2 GLN HE21 1 6 LEU MD1 . . 5.400 2.925 1.798 4.770 . 0 0 "[ . 1 . 2]" 1
453 1 2 GLN HE21 1 6 LEU MD2 . . 5.500 4.089 3.178 5.301 . 0 0 "[ . 1 . 2]" 1
454 1 20 ALA MB 1 21 GLN HE21 . . 5.500 4.009 3.473 4.399 . 0 0 "[ . 1 . 2]" 1
455 1 21 GLN QB 1 21 GLN HE22 . . 5.010 3.913 3.190 4.334 . 0 0 "[ . 1 . 2]" 1
456 1 20 ALA MB 1 21 GLN HE22 . . 5.500 5.222 4.585 5.517 0.017 7 0 "[ . 1 . 2]" 1
457 1 60 GLN HB3 1 60 GLN HE21 . . 4.730 2.400 1.808 3.469 . 0 0 "[ . 1 . 2]" 1
458 1 60 GLN HA 1 60 GLN HE21 . . 5.500 4.006 3.115 4.325 . 0 0 "[ . 1 . 2]" 1
459 1 57 THR MG 1 60 GLN HE21 . . 5.500 4.807 3.037 5.504 0.004 13 0 "[ . 1 . 2]" 1
460 1 60 GLN HB2 1 60 GLN HE22 . . 5.000 4.104 3.256 5.006 0.006 12 0 "[ . 1 . 2]" 1
461 1 60 GLN HB3 1 60 GLN HE22 . . 4.730 3.708 3.399 4.782 0.052 18 0 "[ . 1 . 2]" 1
462 1 17 LEU HG 1 21 GLN HE22 . . 5.480 3.769 2.479 5.236 . 0 0 "[ . 1 . 2]" 1
463 1 57 THR MG 1 60 GLN HE22 . . 5.500 4.647 2.481 5.504 0.004 12 0 "[ . 1 . 2]" 1
464 1 18 ARG HB2 1 18 ARG HE . . 5.500 2.623 1.788 3.096 . 0 0 "[ . 1 . 2]" 1
465 1 18 ARG HB3 1 18 ARG HE . . 5.500 2.268 1.803 2.853 . 0 0 "[ . 1 . 2]" 1
466 1 71 ARG H 1 72 GLY H . . 4.060 2.846 1.545 4.058 . 0 0 "[ . 1 . 2]" 1
467 1 72 GLY H 1 73 PRO QD . . 5.010 3.005 1.800 4.318 . 0 0 "[ . 1 . 2]" 1
468 1 71 ARG HB2 1 72 GLY H . . 4.450 2.938 1.849 4.453 0.003 4 0 "[ . 1 . 2]" 1
469 1 71 ARG HB3 1 72 GLY H . . 4.450 3.094 1.815 4.326 . 0 0 "[ . 1 . 2]" 1
470 1 71 ARG HG2 1 72 GLY H . . 5.500 4.331 3.238 5.094 . 0 0 "[ . 1 . 2]" 1
471 1 71 ARG HG3 1 72 GLY H . . 5.500 4.250 2.337 5.110 . 0 0 "[ . 1 . 2]" 1
472 1 49 ASN HA 1 51 GLY H . . 4.550 3.814 3.042 4.553 0.003 15 0 "[ . 1 . 2]" 1
473 1 50 ASP HB3 1 51 GLY H . . 4.710 3.961 2.278 4.655 . 0 0 "[ . 1 . 2]" 1
474 1 50 ASP HB2 1 51 GLY H . . 4.710 3.814 2.400 4.666 . 0 0 "[ . 1 . 2]" 1
475 1 51 GLY H 1 52 THR MG . . 5.430 4.321 3.259 5.468 0.038 11 0 "[ . 1 . 2]" 1
476 1 18 ARG H 1 19 ILE HG13 . . 5.500 4.109 3.941 4.207 . 0 0 "[ . 1 . 2]" 1
477 1 18 ARG H 1 21 GLN QB . . 5.490 5.032 4.795 5.501 0.011 4 0 "[ . 1 . 2]" 1
478 1 28 SER H 1 29 ASP H . . 4.070 3.358 1.947 3.823 . 0 0 "[ . 1 . 2]" 1
479 1 29 ASP H 1 31 ALA H . . 4.740 4.550 4.295 4.743 0.003 19 0 "[ . 1 . 2]" 1
480 1 36 ALA H 1 37 LEU H . . 3.280 2.741 2.555 2.914 . 0 0 "[ . 1 . 2]" 1
481 1 37 LEU H 1 39 ARG H . . 4.590 4.184 3.779 4.593 0.003 10 0 "[ . 1 . 2]" 1
482 1 37 LEU H 1 38 ARG H . . 3.320 2.578 2.273 2.785 . 0 0 "[ . 1 . 2]" 1
483 1 38 ARG H 1 39 ARG H . . 3.460 2.510 2.339 2.668 . 0 0 "[ . 1 . 2]" 1
484 1 39 ARG QD 1 40 SER H . . 5.500 4.899 3.347 5.512 0.012 9 0 "[ . 1 . 2]" 1
485 1 21 GLN HG3 1 22 SER H . . 5.500 4.580 2.788 5.284 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASP H 1 43 SER H . . 3.460 2.762 2.420 3.046 . 0 0 "[ . 1 . 2]" 1
487 1 43 SER H 1 44 TYR H . . 3.900 2.998 2.047 3.993 0.093 11 0 "[ . 1 . 2]" 1
488 1 49 ASN H 1 50 ASP H . . 4.390 3.168 1.543 4.317 . 0 0 "[ . 1 . 2]" 1
489 1 48 LYS HA 1 49 ASN H . . 3.370 2.263 2.143 2.466 . 0 0 "[ . 1 . 2]" 1
490 1 52 THR H 1 53 ARG HG2 . . 5.500 5.138 3.808 5.505 0.005 2 0 "[ . 1 . 2]" 1
491 1 52 THR H 1 53 ARG HG3 . . 5.500 4.335 3.833 5.423 . 0 0 "[ . 1 . 2]" 1
492 1 50 ASP HA 1 52 THR H . . 5.070 4.349 3.716 5.079 0.009 13 0 "[ . 1 . 2]" 1
493 1 50 ASP H 1 52 THR H . . 4.580 3.771 2.313 4.605 0.025 11 0 "[ . 1 . 2]" 1
494 1 57 THR H 1 60 GLN H . . 4.850 3.764 3.354 4.474 . 0 0 "[ . 1 . 2]" 1
495 1 61 MET H 1 62 ALA H . . 3.330 2.806 2.659 3.002 . 0 0 "[ . 1 . 2]" 1
496 1 61 MET H 1 63 LYS H . . 5.070 4.532 4.285 4.827 . 0 0 "[ . 1 . 2]" 1
497 1 62 ALA H 1 63 LYS H . . 3.390 2.844 2.597 3.003 . 0 0 "[ . 1 . 2]" 1
498 1 66 SER H 1 69 LEU MD1 . . 5.500 4.021 3.632 4.648 . 0 0 "[ . 1 . 2]" 1
499 1 62 ALA MB 1 66 SER H . . 5.110 4.504 4.168 4.664 . 0 0 "[ . 1 . 2]" 1
500 1 66 SER H 1 69 LEU HB2 . . 5.500 5.294 5.059 5.515 0.015 16 0 "[ . 1 . 2]" 1
501 1 66 SER H 1 69 LEU HG . . 5.500 5.010 4.676 5.319 . 0 0 "[ . 1 . 2]" 1
502 1 66 SER H 1 67 GLU H . . 3.500 2.784 2.643 2.976 . 0 0 "[ . 1 . 2]" 1
503 1 67 GLU H 1 68 PHE H . . 3.460 2.494 2.353 2.745 . 0 0 "[ . 1 . 2]" 1
504 1 1 GLN H1 1 2 GLN H . . 3.890 2.594 2.381 2.771 . 0 0 "[ . 1 . 2]" 1
505 1 4 ALA H 1 5 VAL HA . . 5.430 5.412 5.341 5.444 0.014 12 0 "[ . 1 . 2]" 1
506 1 15 LEU H 1 17 LEU H . . 4.300 4.067 3.966 4.174 . 0 0 "[ . 1 . 2]" 1
507 1 34 ASP H 1 35 LEU H . . 3.470 2.964 2.637 3.145 . 0 0 "[ . 1 . 2]" 1
508 1 19 ILE HA 1 21 GLN H . . 4.990 4.574 4.350 4.893 . 0 0 "[ . 1 . 2]" 1
509 1 8 GLN HE21 1 12 ASP H . . 5.500 3.369 2.408 3.977 . 0 0 "[ . 1 . 2]" 1
510 1 28 SER H 1 28 SER HB3 . . 3.620 3.324 2.404 3.685 0.065 9 0 "[ . 1 . 2]" 1
511 1 33 ALA MB 1 35 LEU H . . 5.080 4.756 4.383 4.965 . 0 0 "[ . 1 . 2]" 1
512 1 35 LEU H 1 36 ALA MB . . 5.340 4.498 4.312 4.587 . 0 0 "[ . 1 . 2]" 1
513 1 34 ASP HA 1 36 ALA H . . 4.620 4.442 4.143 4.627 0.007 2 0 "[ . 1 . 2]" 1
514 1 71 ARG H 1 71 ARG HB3 . . 3.870 3.431 2.648 3.886 0.016 19 0 "[ . 1 . 2]" 1
515 1 43 SER H 1 44 TYR QD . . 5.490 4.415 3.098 5.492 0.002 11 0 "[ . 1 . 2]" 1
516 1 35 LEU H 1 37 LEU H . . 4.940 4.382 4.058 4.666 . 0 0 "[ . 1 . 2]" 1
517 1 33 ALA H 1 34 ASP H . . 3.430 2.816 2.666 3.044 . 0 0 "[ . 1 . 2]" 1
518 1 31 ALA H 1 32 GLN H . . 3.390 2.809 2.626 2.997 . 0 0 "[ . 1 . 2]" 1
519 1 32 GLN H 1 33 ALA H . . 3.620 2.850 2.721 2.996 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLU HA 1 26 LEU H . . 3.720 3.403 3.198 3.570 . 0 0 "[ . 1 . 2]" 1
521 1 25 GLU H 1 26 LEU H . . 3.440 2.376 2.246 2.438 . 0 0 "[ . 1 . 2]" 1
522 1 24 ALA H 1 25 GLU H . . 3.430 2.562 2.329 2.709 . 0 0 "[ . 1 . 2]" 1
523 1 20 ALA H 1 21 GLN H . . 3.540 2.791 2.616 2.961 . 0 0 "[ . 1 . 2]" 1
524 1 15 LEU H 1 18 ARG H . . 4.970 4.662 4.548 4.761 . 0 0 "[ . 1 . 2]" 1
525 1 16 ALA H 1 19 ILE HB . . 5.500 5.366 5.106 5.488 . 0 0 "[ . 1 . 2]" 1
526 1 14 GLU HB2 1 16 ALA H . . 5.370 5.106 4.968 5.317 . 0 0 "[ . 1 . 2]" 1
527 1 14 GLU H 1 16 ALA H . . 4.950 4.640 4.497 4.778 . 0 0 "[ . 1 . 2]" 1
528 1 14 GLU H 1 17 LEU H . . 5.380 4.669 4.577 4.735 . 0 0 "[ . 1 . 2]" 1
529 1 14 GLU H 1 15 LEU H . . 3.470 3.048 2.760 3.158 . 0 0 "[ . 1 . 2]" 1
530 1 5 VAL H 1 8 GLN H . . 4.880 4.746 4.608 4.863 . 0 0 "[ . 1 . 2]" 1
531 1 8 GLN H 1 10 ARG H . . 4.440 4.360 4.096 4.453 0.013 14 0 "[ . 1 . 2]" 1
532 1 65 MET H 1 66 SER H . . 3.590 2.885 2.686 3.010 . 0 0 "[ . 1 . 2]" 1
533 1 64 GLU H 1 65 MET H . . 3.490 2.891 2.771 3.038 . 0 0 "[ . 1 . 2]" 1
534 1 69 LEU H 1 70 SER H . . 3.500 2.674 2.421 2.846 . 0 0 "[ . 1 . 2]" 1
535 1 32 GLN HB2 1 33 ALA H . . 3.910 2.375 2.062 2.537 . 0 0 "[ . 1 . 2]" 1
536 1 50 ASP H 1 50 ASP HB2 . . 3.850 3.114 2.376 3.729 . 0 0 "[ . 1 . 2]" 1
537 1 59 GLU HA 1 62 ALA H . . 3.980 3.754 3.404 3.935 . 0 0 "[ . 1 . 2]" 1
538 1 60 GLN H 1 61 MET QG . . 5.090 3.952 3.558 4.659 . 0 0 "[ . 1 . 2]" 1
539 1 56 MET H 1 56 MET HB2 . . 3.730 2.689 2.186 3.759 0.029 11 0 "[ . 1 . 2]" 1
540 1 46 VAL H 1 47 SER H . . 4.610 4.478 4.204 4.620 0.010 1 0 "[ . 1 . 2]" 1
541 1 37 LEU HA 1 38 ARG H . . 3.520 3.493 3.398 3.546 0.026 1 0 "[ . 1 . 2]" 1
542 1 23 GLU HG3 1 24 ALA H . . 5.270 2.826 1.851 3.812 . 0 0 "[ . 1 . 2]" 1
543 1 28 SER HA 1 30 GLU H . . 4.490 3.135 2.872 3.406 . 0 0 "[ . 1 . 2]" 1
544 1 17 LEU HG 1 21 GLN HE21 . . 5.480 2.809 1.796 3.784 . 0 0 "[ . 1 . 2]" 1
545 1 60 GLN HA 1 60 GLN HE22 . . 5.500 5.039 3.760 5.546 0.046 16 0 "[ . 1 . 2]" 1
546 1 66 SER HA 1 68 PHE H . . 4.780 4.353 4.142 4.647 . 0 0 "[ . 1 . 2]" 1
547 1 66 SER HA 1 69 LEU H . . 4.950 3.850 3.506 4.107 . 0 0 "[ . 1 . 2]" 1
548 1 42 ASP HA 1 44 TYR H . . 5.290 4.180 2.966 5.292 0.002 8 0 "[ . 1 . 2]" 1
549 1 33 ALA H 1 35 LEU H . . 4.930 4.599 4.303 4.849 . 0 0 "[ . 1 . 2]" 1
550 1 27 ILE HA 1 29 ASP H . . 4.700 3.920 3.454 4.717 0.017 14 0 "[ . 1 . 2]" 1
551 1 49 ASN HA 1 49 ASN HD22 . . 5.500 4.333 3.551 5.318 . 0 0 "[ . 1 . 2]" 1
552 1 6 LEU HB2 1 6 LEU MD1 . . 3.590 2.304 2.246 2.349 . 0 0 "[ . 1 . 2]" 1
553 1 68 PHE H 1 68 PHE HB3 . . 3.490 2.658 2.564 2.773 . 0 0 "[ . 1 . 2]" 1
554 1 25 GLU HA 1 25 GLU HG3 . . 3.910 3.464 2.675 3.740 . 0 0 "[ . 1 . 2]" 1
555 1 58 PRO HA 1 61 MET ME . . 3.520 2.933 2.201 3.534 0.014 16 0 "[ . 1 . 2]" 1
556 1 5 VAL HA 1 8 GLN QB . . 3.640 2.432 2.296 2.644 . 0 0 "[ . 1 . 2]" 1
557 1 5 VAL HA 1 5 VAL MG1 . . 3.280 3.189 3.185 3.193 . 0 0 "[ . 1 . 2]" 1
558 1 19 ILE HA 1 19 ILE HG13 . . 3.880 3.211 3.064 3.281 . 0 0 "[ . 1 . 2]" 1
559 1 40 SER H 1 40 SER QB . . 3.430 2.344 2.189 2.560 . 0 0 "[ . 1 . 2]" 1
560 1 52 THR HA 1 52 THR MG . . 3.470 2.579 2.231 3.197 . 0 0 "[ . 1 . 2]" 1
561 1 27 ILE HA 1 28 SER H . . 3.530 3.506 3.391 3.566 0.036 13 0 "[ . 1 . 2]" 1
562 1 65 MET HB2 1 66 SER HA . . 5.500 4.454 4.325 4.736 . 0 0 "[ . 1 . 2]" 1
563 1 65 MET HB3 1 66 SER HA . . 5.500 4.354 4.048 5.553 0.053 1 0 "[ . 1 . 2]" 1
564 1 57 THR HA 1 58 PRO HD2 . . 3.440 2.435 2.330 2.483 . 0 0 "[ . 1 . 2]" 1
565 1 57 THR HA 1 58 PRO HD3 . . 3.440 2.256 2.191 2.467 . 0 0 "[ . 1 . 2]" 1
566 1 59 GLU HA 1 59 GLU HG3 . . 4.210 2.434 2.338 2.695 . 0 0 "[ . 1 . 2]" 1
567 1 9 GLU HA 1 12 ASP HB2 . . 4.140 3.499 3.075 3.737 . 0 0 "[ . 1 . 2]" 1
568 1 11 ARG HA 1 11 ARG HG3 . . 4.010 2.599 2.333 3.788 . 0 0 "[ . 1 . 2]" 1
569 1 11 ARG HA 1 11 ARG HG2 . . 4.010 2.881 2.335 3.337 . 0 0 "[ . 1 . 2]" 1
570 1 13 ARG HA 1 13 ARG HG2 . . 4.190 2.563 2.331 3.612 . 0 0 "[ . 1 . 2]" 1
571 1 13 ARG HA 1 16 ALA MB . . 3.610 2.583 2.398 2.858 . 0 0 "[ . 1 . 2]" 1
572 1 11 ARG HA 1 14 GLU HB2 . . 3.570 2.469 2.321 2.588 . 0 0 "[ . 1 . 2]" 1
573 1 14 GLU HA 1 17 LEU MD2 . . 4.860 3.595 3.359 3.818 . 0 0 "[ . 1 . 2]" 1
574 1 35 LEU H 1 35 LEU HG . . 3.940 2.375 1.800 3.757 . 0 0 "[ . 1 . 2]" 1
575 1 28 SER HA 1 29 ASP H . . 3.250 2.674 2.444 3.172 . 0 0 "[ . 1 . 2]" 1
576 1 43 SER HA 1 44 TYR H . . 3.540 3.305 2.364 3.566 0.026 19 0 "[ . 1 . 2]" 1
577 1 8 GLN HA 1 8 GLN QG . . 3.890 2.760 2.298 2.988 . 0 0 "[ . 1 . 2]" 1
578 1 12 ASP HA 1 15 LEU QB . . 3.610 3.148 2.860 3.360 . 0 0 "[ . 1 . 2]" 1
579 1 65 MET HA 1 68 PHE HB3 . . 4.020 2.692 2.319 3.051 . 0 0 "[ . 1 . 2]" 1
580 1 34 ASP HA 1 37 LEU QB . . 3.820 2.856 2.328 3.858 0.038 4 0 "[ . 1 . 2]" 1
581 1 56 MET HA 1 56 MET HG3 . . 4.220 2.801 2.342 4.249 0.029 6 0 "[ . 1 . 2]" 1
582 1 3 GLN QB 1 4 ALA HA . . 4.250 3.955 3.886 4.222 . 0 0 "[ . 1 . 2]" 1
583 1 16 ALA HA 1 19 ILE HB . . 3.800 3.050 2.853 3.209 . 0 0 "[ . 1 . 2]" 1
584 1 16 ALA HA 1 19 ILE MD . . 4.110 2.972 2.560 3.282 . 0 0 "[ . 1 . 2]" 1
585 1 20 ALA HA 1 23 GLU QB . . 4.000 3.830 3.531 4.021 0.021 10 0 "[ . 1 . 2]" 1
586 1 35 LEU HB3 1 36 ALA HA . . 5.500 4.314 4.045 4.560 . 0 0 "[ . 1 . 2]" 1
587 1 36 ALA HA 1 39 ARG HG3 . . 5.500 4.650 2.650 5.511 0.011 13 0 "[ . 1 . 2]" 1
588 1 5 VAL HA 1 5 VAL MG2 . . 3.390 2.361 2.269 2.416 . 0 0 "[ . 1 . 2]" 1
589 1 53 ARG HA 1 54 PRO HD3 . . 3.120 2.293 2.220 2.326 . 0 0 "[ . 1 . 2]" 1
590 1 53 ARG HA 1 54 PRO HD2 . . 3.220 2.382 2.335 2.628 . 0 0 "[ . 1 . 2]" 1
591 1 44 TYR HA 1 45 PRO HD2 . . 3.420 2.454 2.348 2.594 . 0 0 "[ . 1 . 2]" 1
592 1 44 TYR HA 1 45 PRO HD3 . . 3.420 2.274 2.166 2.316 . 0 0 "[ . 1 . 2]" 1
593 1 4 ALA MB 1 5 VAL H . . 2.940 1.992 1.942 2.157 . 0 0 "[ . 1 . 2]" 1
594 1 72 GLY HA3 1 73 PRO QD . . 3.740 2.694 2.219 3.467 . 0 0 "[ . 1 . 2]" 1
595 1 27 ILE HA 1 27 ILE MG . . 3.160 2.403 2.301 2.516 . 0 0 "[ . 1 . 2]" 1
596 1 66 SER HA 1 69 LEU MD1 . . 4.470 2.919 2.320 3.457 . 0 0 "[ . 1 . 2]" 1
597 1 66 SER HA 1 69 LEU HB2 . . 4.110 3.135 2.840 3.397 . 0 0 "[ . 1 . 2]" 1
598 1 72 GLY HA2 1 73 PRO QD . . 3.740 2.554 2.169 3.467 . 0 0 "[ . 1 . 2]" 1
599 1 11 ARG QD 1 15 LEU MD2 . . 4.660 3.636 3.043 4.434 . 0 0 "[ . 1 . 2]" 1
600 1 30 GLU H 1 30 GLU HG2 . . 4.600 3.548 2.024 4.629 0.029 12 0 "[ . 1 . 2]" 1
601 1 67 GLU H 1 67 GLU HG3 . . 4.830 4.174 2.622 4.637 . 0 0 "[ . 1 . 2]" 1
602 1 58 PRO HA 1 62 ALA H . . 4.880 3.835 3.606 4.187 . 0 0 "[ . 1 . 2]" 1
603 1 47 SER H 1 47 SER HB3 . . 3.760 2.871 2.390 3.762 0.002 13 0 "[ . 1 . 2]" 1
604 1 65 MET HG2 1 69 LEU MD1 . . 5.500 4.448 3.536 5.234 . 0 0 "[ . 1 . 2]" 1
605 1 65 MET HG3 1 69 LEU MD1 . . 5.500 4.390 2.305 5.500 . 11 0 "[ . 1 . 2]" 1
606 1 58 PRO HB3 1 59 GLU H . . 4.290 3.922 3.761 4.136 . 0 0 "[ . 1 . 2]" 1
607 1 27 ILE HA 1 27 ILE HG13 . . 4.120 3.142 2.668 3.763 . 0 0 "[ . 1 . 2]" 1
608 1 27 ILE HA 1 27 ILE HG12 . . 4.120 2.569 2.444 2.764 . 0 0 "[ . 1 . 2]" 1
609 1 68 PHE HA 1 68 PHE QD . . 4.250 2.817 2.348 3.048 . 0 0 "[ . 1 . 2]" 1
610 1 18 ARG H 1 18 ARG HG2 . . 4.810 3.726 3.354 3.923 . 0 0 "[ . 1 . 2]" 1
611 1 39 ARG H 1 39 ARG HG3 . . 4.500 3.830 2.139 4.468 . 0 0 "[ . 1 . 2]" 1
612 1 38 ARG H 1 38 ARG HG3 . . 4.840 4.091 1.984 4.489 . 0 0 "[ . 1 . 2]" 1
613 1 27 ILE MG 1 28 SER HA . . 4.920 3.440 3.048 3.936 . 0 0 "[ . 1 . 2]" 1
614 1 17 LEU MD2 1 18 ARG HA . . 5.330 4.155 2.796 4.454 . 0 0 "[ . 1 . 2]" 1
615 1 69 LEU HA 1 69 LEU HG . . 4.150 2.939 2.793 3.143 . 0 0 "[ . 1 . 2]" 1
616 1 68 PHE QD 1 69 LEU HA . . 4.930 3.169 2.767 3.786 . 0 0 "[ . 1 . 2]" 1
617 1 60 GLN HA 1 64 GLU H . . 4.690 3.900 3.458 4.192 . 0 0 "[ . 1 . 2]" 1
618 1 60 GLN HA 1 63 LYS H . . 4.360 3.775 3.463 4.032 . 0 0 "[ . 1 . 2]" 1
619 1 3 GLN HA 1 3 GLN QG . . 3.800 2.616 2.477 3.042 . 0 0 "[ . 1 . 2]" 1
620 1 3 GLN HA 1 6 LEU HG . . 4.410 4.181 4.038 4.324 . 0 0 "[ . 1 . 2]" 1
621 1 3 GLN HA 1 4 ALA MB . . 5.500 5.018 5.007 5.026 . 0 0 "[ . 1 . 2]" 1
622 1 60 GLN HA 1 62 ALA MB . . 5.500 4.902 4.725 5.220 . 0 0 "[ . 1 . 2]" 1
623 1 4 ALA HA 1 7 GLU H . . 4.660 4.049 3.791 4.201 . 0 0 "[ . 1 . 2]" 1
624 1 4 ALA HA 1 7 GLU QG . . 4.830 3.703 2.569 4.572 . 0 0 "[ . 1 . 2]" 1
625 1 4 ALA MB 1 5 VAL HA . . 4.850 3.706 3.691 3.747 . 0 0 "[ . 1 . 2]" 1
626 1 5 VAL HA 1 8 GLN QG . . 4.490 3.895 3.600 4.184 . 0 0 "[ . 1 . 2]" 1
627 1 8 GLN HA 1 11 ARG QD . . 5.000 3.930 3.018 5.008 0.008 10 0 "[ . 1 . 2]" 1
628 1 13 ARG HA 1 16 ALA H . . 4.640 3.997 3.802 4.207 . 0 0 "[ . 1 . 2]" 1
629 1 13 ARG HA 1 17 LEU H . . 5.030 3.884 3.761 4.002 . 0 0 "[ . 1 . 2]" 1
630 1 9 GLU HA 1 12 ASP HB3 . . 4.140 2.723 2.438 2.976 . 0 0 "[ . 1 . 2]" 1
631 1 9 GLU HA 1 12 ASP HA . . 5.500 5.437 5.156 5.513 0.013 3 0 "[ . 1 . 2]" 1
632 1 15 LEU HA 1 15 LEU HG . . 4.060 2.467 2.296 3.323 . 0 0 "[ . 1 . 2]" 1
633 1 5 VAL MG2 1 6 LEU HA . . 3.700 3.437 3.326 3.684 . 0 0 "[ . 1 . 2]" 1
634 1 15 LEU HA 1 18 ARG H . . 4.400 3.254 3.175 3.353 . 0 0 "[ . 1 . 2]" 1
635 1 16 ALA HA 1 20 ALA H . . 4.830 3.848 3.592 4.045 . 0 0 "[ . 1 . 2]" 1
636 1 16 ALA HA 1 19 ILE H . . 4.590 3.762 3.521 3.961 . 0 0 "[ . 1 . 2]" 1
637 1 16 ALA HA 1 19 ILE HG13 . . 5.310 3.443 3.228 3.695 . 0 0 "[ . 1 . 2]" 1
638 1 15 LEU H 1 15 LEU HG . . 4.380 3.589 1.798 3.881 . 0 0 "[ . 1 . 2]" 1
639 1 68 PHE QD 1 69 LEU HG . . 5.500 3.421 2.761 3.747 . 0 0 "[ . 1 . 2]" 1
640 1 17 LEU H 1 19 ILE HB . . 5.500 5.426 5.305 5.509 0.009 9 0 "[ . 1 . 2]" 1
641 1 18 ARG H 1 19 ILE HB . . 5.500 5.049 4.834 5.156 . 0 0 "[ . 1 . 2]" 1
642 1 19 ILE MG 1 20 ALA H . . 3.800 3.562 3.358 3.808 0.008 3 0 "[ . 1 . 2]" 1
643 1 19 ILE HA 1 19 ILE MG . . 3.280 2.321 2.305 2.331 . 0 0 "[ . 1 . 2]" 1
644 1 23 GLU QB 1 24 ALA HA . . 4.910 4.162 3.757 4.599 . 0 0 "[ . 1 . 2]" 1
645 1 22 SER HA 1 27 ILE H . . 5.500 3.904 3.474 4.445 . 0 0 "[ . 1 . 2]" 1
646 1 27 ILE H 1 27 ILE HG13 . . 4.210 3.172 2.629 3.927 . 0 0 "[ . 1 . 2]" 1
647 1 27 ILE H 1 28 SER HA . . 5.120 4.846 4.361 5.128 0.008 2 0 "[ . 1 . 2]" 1
648 1 28 SER HA 1 29 ASP QB . . 4.830 4.524 4.292 4.870 0.040 14 0 "[ . 1 . 2]" 1
649 1 28 SER HB2 1 31 ALA MB . . 4.780 3.118 2.520 4.313 . 0 0 "[ . 1 . 2]" 1
650 1 28 SER HB3 1 31 ALA MB . . 4.780 3.318 2.492 4.567 . 0 0 "[ . 1 . 2]" 1
651 1 27 ILE MG 1 28 SER HB3 . . 5.500 4.788 3.195 5.511 0.011 9 0 "[ . 1 . 2]" 1
652 1 30 GLU H 1 30 GLU HG3 . . 4.600 3.889 2.133 4.480 . 0 0 "[ . 1 . 2]" 1
653 1 36 ALA MB 1 37 LEU HA . . 4.460 3.796 3.723 3.900 . 0 0 "[ . 1 . 2]" 1
654 1 43 SER HB2 1 44 TYR H . . 4.820 3.807 2.702 4.639 . 0 0 "[ . 1 . 2]" 1
655 1 44 TYR QD 1 45 PRO HD2 . . 5.020 3.470 2.613 4.293 . 0 0 "[ . 1 . 2]" 1
656 1 44 TYR H 1 45 PRO HD2 . . 5.230 4.864 4.775 4.977 . 0 0 "[ . 1 . 2]" 1
657 1 44 TYR HB2 1 45 PRO HD2 . . 5.080 3.238 2.287 3.907 . 0 0 "[ . 1 . 2]" 1
658 1 44 TYR HB3 1 45 PRO HD2 . . 5.080 2.596 2.268 3.735 . 0 0 "[ . 1 . 2]" 1
659 1 44 TYR HB2 1 45 PRO HD3 . . 5.080 4.330 3.488 4.827 . 0 0 "[ . 1 . 2]" 1
660 1 44 TYR HB3 1 45 PRO HD3 . . 5.080 3.781 3.497 4.610 . 0 0 "[ . 1 . 2]" 1
661 1 44 TYR QD 1 45 PRO HD3 . . 5.020 4.385 3.136 5.039 0.019 16 0 "[ . 1 . 2]" 1
662 1 63 LYS H 1 63 LYS HG3 . . 5.500 4.066 2.246 4.469 . 0 0 "[ . 1 . 2]" 1
663 1 63 LYS H 1 63 LYS HG2 . . 5.500 4.329 2.461 4.677 . 0 0 "[ . 1 . 2]" 1
664 1 55 LYS H 1 55 LYS HG3 . . 5.240 4.055 2.023 5.216 . 0 0 "[ . 1 . 2]" 1
665 1 49 ASN HB3 1 50 ASP H . . 5.500 4.305 3.844 4.615 . 0 0 "[ . 1 . 2]" 1
666 1 49 ASN HB2 1 50 ASP H . . 5.500 4.402 3.548 4.648 . 0 0 "[ . 1 . 2]" 1
667 1 56 MET HA 1 57 THR MG . . 5.360 3.609 3.160 4.220 . 0 0 "[ . 1 . 2]" 1
668 1 56 MET HA 1 56 MET HG2 . . 4.220 3.555 2.566 3.697 . 0 0 "[ . 1 . 2]" 1
669 1 57 THR HA 1 59 GLU H . . 5.060 4.289 4.078 4.469 . 0 0 "[ . 1 . 2]" 1
670 1 57 THR HA 1 60 GLN H . . 5.500 4.639 4.441 4.842 . 0 0 "[ . 1 . 2]" 1
671 1 57 THR HB 1 59 GLU HB2 . . 5.500 4.486 4.113 4.893 . 0 0 "[ . 1 . 2]" 1
672 1 57 THR HB 1 59 GLU HB3 . . 5.090 4.125 3.515 4.566 . 0 0 "[ . 1 . 2]" 1
673 1 66 SER HA 1 69 LEU HB3 . . 5.130 4.818 4.503 5.064 . 0 0 "[ . 1 . 2]" 1
674 1 67 GLU HG3 1 68 PHE H . . 5.500 4.820 3.982 5.210 . 0 0 "[ . 1 . 2]" 1
675 1 68 PHE HB2 1 69 LEU MD2 . . 5.500 5.179 4.654 5.505 0.005 16 0 "[ . 1 . 2]" 1
676 1 68 PHE HB2 1 69 LEU HG . . 5.500 4.575 4.413 4.725 . 0 0 "[ . 1 . 2]" 1
677 1 68 PHE HB3 1 69 LEU HG . . 5.500 2.894 2.718 3.020 . 0 0 "[ . 1 . 2]" 1
678 1 65 MET HA 1 68 PHE HB2 . . 4.020 3.250 2.940 3.571 . 0 0 "[ . 1 . 2]" 1
679 1 1 GLN HA 1 1 GLN QG . . 3.900 2.852 2.246 3.490 . 0 0 "[ . 1 . 2]" 1
680 1 1 GLN HA 1 4 ALA MB . . 3.610 2.628 2.504 2.745 . 0 0 "[ . 1 . 2]" 1
681 1 3 GLN HA 1 6 LEU MD1 . . 3.930 2.685 2.436 2.853 . 0 0 "[ . 1 . 2]" 1
682 1 1 GLN QG 1 5 VAL MG1 . . 4.280 3.058 2.482 3.501 . 0 0 "[ . 1 . 2]" 1
683 1 2 GLN QG 1 5 VAL MG1 . . 4.570 3.812 3.059 4.193 . 0 0 "[ . 1 . 2]" 1
684 1 2 GLN HA 1 5 VAL MG1 . . 3.750 2.131 2.058 2.209 . 0 0 "[ . 1 . 2]" 1
685 1 5 VAL H 1 5 VAL MG1 . . 3.100 1.906 1.823 2.096 . 0 0 "[ . 1 . 2]" 1
686 1 5 VAL MG1 1 8 GLN H . . 5.250 4.968 4.802 5.054 . 0 0 "[ . 1 . 2]" 1
687 1 35 LEU HA 1 35 LEU HG . . 4.140 2.636 2.373 2.952 . 0 0 "[ . 1 . 2]" 1
688 1 35 LEU HA 1 38 ARG HB2 . . 4.710 3.380 2.725 3.836 . 0 0 "[ . 1 . 2]" 1
689 1 35 LEU HA 1 38 ARG HB3 . . 4.710 2.844 2.330 4.694 . 0 0 "[ . 1 . 2]" 1
690 1 35 LEU HA 1 38 ARG QD . . 4.840 3.591 3.039 4.702 . 0 0 "[ . 1 . 2]" 1
691 1 35 LEU HA 1 37 LEU H . . 4.900 4.606 4.306 4.908 0.008 3 0 "[ . 1 . 2]" 1
692 1 18 ARG HA 1 18 ARG HG2 . . 4.120 2.483 2.324 2.563 . 0 0 "[ . 1 . 2]" 1
693 1 18 ARG HA 1 18 ARG HG3 . . 4.120 2.728 2.564 3.071 . 0 0 "[ . 1 . 2]" 1
694 1 21 GLN HA 1 21 GLN HG3 . . 4.210 3.288 2.630 3.758 . 0 0 "[ . 1 . 2]" 1
695 1 10 ARG HA 1 13 ARG QD . . 5.500 3.916 2.330 5.405 . 0 0 "[ . 1 . 2]" 1
696 1 19 ILE MG 1 23 GLU HG2 . . 4.310 2.973 2.603 3.283 . 0 0 "[ . 1 . 2]" 1
697 1 15 LEU QB 1 16 ALA HA . . 4.520 3.741 3.716 3.777 . 0 0 "[ . 1 . 2]" 1
698 1 18 ARG H 1 19 ILE HG12 . . 5.500 5.505 5.482 5.512 0.012 8 0 "[ . 1 . 2]" 1
699 1 22 SER HB3 1 23 GLU QB . . 4.710 4.314 3.748 4.713 0.003 5 0 "[ . 1 . 2]" 1
700 1 19 ILE MG 1 20 ALA HA . . 4.700 3.731 3.663 3.809 . 0 0 "[ . 1 . 2]" 1
701 1 35 LEU HB2 1 36 ALA HA . . 5.500 4.391 4.149 4.639 . 0 0 "[ . 1 . 2]" 1
702 1 36 ALA HA 1 39 ARG HG2 . . 5.500 3.945 2.288 5.503 0.003 18 0 "[ . 1 . 2]" 1
703 1 68 PHE HA 1 69 LEU HA . . 5.320 4.794 4.704 4.855 . 0 0 "[ . 1 . 2]" 1
704 1 69 LEU HA 1 70 SER HA . . 5.500 4.765 4.495 5.304 . 0 0 "[ . 1 . 2]" 1
705 1 25 GLU HB3 1 27 ILE HA . . 5.280 4.913 4.652 5.288 0.008 7 0 "[ . 1 . 2]" 1
706 1 27 ILE H 1 27 ILE MD . . 4.090 3.861 3.572 4.098 0.008 2 0 "[ . 1 . 2]" 1
707 1 27 ILE HA 1 27 ILE MD . . 3.890 3.171 2.216 3.829 . 0 0 "[ . 1 . 2]" 1
708 1 19 ILE HB 1 19 ILE MD . . 3.360 2.351 2.280 2.389 . 0 0 "[ . 1 . 2]" 1
709 1 27 ILE HB 1 27 ILE MD . . 3.740 2.616 2.233 3.174 . 0 0 "[ . 1 . 2]" 1
710 1 31 ALA HA 1 34 ASP QB . . 3.730 2.723 2.323 2.939 . 0 0 "[ . 1 . 2]" 1
711 1 20 ALA MB 1 21 GLN QB . . 4.600 4.035 3.437 4.183 . 0 0 "[ . 1 . 2]" 1
712 1 37 LEU HA 1 39 ARG H . . 5.180 4.533 4.039 4.996 . 0 0 "[ . 1 . 2]" 1
713 1 37 LEU HA 1 40 SER H . . 5.350 3.631 3.344 3.890 . 0 0 "[ . 1 . 2]" 1
714 1 13 ARG QD 1 14 GLU H . . 5.500 4.694 3.782 5.250 . 0 0 "[ . 1 . 2]" 1
715 1 38 ARG QD 1 39 ARG H . . 5.160 4.754 4.294 5.091 . 0 0 "[ . 1 . 2]" 1
716 1 39 ARG H 1 39 ARG QD . . 5.430 4.284 3.417 4.986 . 0 0 "[ . 1 . 2]" 1
717 1 44 TYR HA 1 44 TYR QD . . 3.990 3.023 2.349 3.699 . 0 0 "[ . 1 . 2]" 1
718 1 53 ARG HA 1 54 PRO HG2 . . 5.500 4.526 4.495 4.707 . 0 0 "[ . 1 . 2]" 1
719 1 53 ARG HA 1 54 PRO HG3 . . 5.500 4.474 4.420 4.556 . 0 0 "[ . 1 . 2]" 1
720 1 57 THR HA 1 57 THR MG . . 3.110 2.414 2.202 2.689 . 0 0 "[ . 1 . 2]" 1
721 1 31 ALA MB 1 32 GLN HA . . 4.320 3.749 3.715 3.795 . 0 0 "[ . 1 . 2]" 1
722 1 32 GLN HA 1 36 ALA MB . . 4.850 4.289 4.000 4.730 . 0 0 "[ . 1 . 2]" 1
723 1 13 ARG HA 1 13 ARG HG3 . . 4.190 3.208 2.626 3.818 . 0 0 "[ . 1 . 2]" 1
724 1 38 ARG HA 1 38 ARG QD . . 4.370 3.899 2.289 4.201 . 0 0 "[ . 1 . 2]" 1
725 1 17 LEU HA 1 17 LEU MD1 . . 3.580 2.295 2.178 3.313 . 0 0 "[ . 1 . 2]" 1
726 1 17 LEU HA 1 17 LEU MD2 . . 4.140 3.783 3.464 3.829 . 0 0 "[ . 1 . 2]" 1
727 1 17 LEU HA 1 20 ALA MB . . 3.500 2.548 2.299 2.699 . 0 0 "[ . 1 . 2]" 1
728 1 21 GLN HA 1 21 GLN HG2 . . 4.210 2.831 2.544 3.641 . 0 0 "[ . 1 . 2]" 1
729 1 19 ILE MG 1 23 GLU HG3 . . 4.310 3.203 2.438 3.975 . 0 0 "[ . 1 . 2]" 1
730 1 19 ILE H 1 19 ILE MD . . 4.100 3.528 3.468 3.558 . 0 0 "[ . 1 . 2]" 1
731 1 19 ILE HA 1 19 ILE MD . . 3.910 3.790 3.764 3.836 . 0 0 "[ . 1 . 2]" 1
732 1 8 GLN H 1 8 GLN QG . . 4.160 4.041 3.898 4.062 . 0 0 "[ . 1 . 2]" 1
733 1 13 ARG HA 1 13 ARG QD . . 4.930 3.526 2.127 4.495 . 0 0 "[ . 1 . 2]" 1
734 1 39 ARG HA 1 39 ARG HG2 . . 4.060 3.316 2.411 4.153 0.093 4 0 "[ . 1 . 2]" 1
735 1 39 ARG HA 1 39 ARG HG3 . . 4.060 2.925 2.341 3.764 . 0 0 "[ . 1 . 2]" 1
736 1 2 GLN HA 1 6 LEU HB2 . . 4.710 4.551 4.493 4.616 . 0 0 "[ . 1 . 2]" 1
737 1 34 ASP HA 1 37 LEU HG . . 5.000 4.028 2.413 4.695 . 0 0 "[ . 1 . 2]" 1
738 1 53 ARG HB3 1 54 PRO HD3 . . 5.320 3.651 3.335 3.703 . 0 0 "[ . 1 . 2]" 1
739 1 53 ARG HB2 1 54 PRO HD3 . . 5.320 4.710 3.597 4.844 . 0 0 "[ . 1 . 2]" 1
740 1 21 GLN HA 1 24 ALA MB . . 3.200 2.400 2.262 2.552 . 0 0 "[ . 1 . 2]" 1
741 1 39 ARG HA 1 39 ARG QD . . 4.390 4.042 3.794 4.430 0.040 10 0 "[ . 1 . 2]" 1
742 1 5 VAL MG1 1 6 LEU HA . . 4.170 3.309 3.088 3.473 . 0 0 "[ . 1 . 2]" 1
743 1 25 GLU HA 1 25 GLU HG2 . . 3.910 2.665 2.439 2.839 . 0 0 "[ . 1 . 2]" 1
744 1 41 LEU HA 1 41 LEU HG . . 4.140 2.992 2.255 3.649 . 0 0 "[ . 1 . 2]" 1
745 1 62 ALA MB 1 63 LYS HA . . 3.840 3.764 3.703 3.838 . 0 0 "[ . 1 . 2]" 1
746 1 35 LEU HA 1 39 ARG H . . 5.070 3.834 3.409 4.138 . 0 0 "[ . 1 . 2]" 1
747 1 36 ALA HA 1 39 ARG QD . . 5.500 3.592 2.268 4.853 . 0 0 "[ . 1 . 2]" 1
748 1 45 PRO HA 1 46 VAL HA . . 5.030 4.416 4.351 4.469 . 0 0 "[ . 1 . 2]" 1
749 1 46 VAL HA 1 47 SER HA . . 5.380 4.400 4.331 4.458 . 0 0 "[ . 1 . 2]" 1
750 1 63 LYS HA 1 63 LYS HD2 . . 5.330 3.403 2.258 4.729 . 0 0 "[ . 1 . 2]" 1
751 1 63 LYS HA 1 63 LYS HD3 . . 5.330 4.071 2.787 4.699 . 0 0 "[ . 1 . 2]" 1
752 1 48 LYS HG2 1 49 ASN H . . 5.500 4.268 2.085 5.194 . 0 0 "[ . 1 . 2]" 1
753 1 50 ASP H 1 51 GLY HA3 . . 5.500 5.002 4.196 5.454 . 0 0 "[ . 1 . 2]" 1
754 1 50 ASP H 1 51 GLY HA2 . . 5.500 4.794 3.876 5.219 . 0 0 "[ . 1 . 2]" 1
755 1 56 MET HA 1 60 GLN HB2 . . 5.150 3.513 3.014 4.562 . 0 0 "[ . 1 . 2]" 1
756 1 58 PRO HA 1 62 ALA MB . . 5.140 4.096 3.728 4.715 . 0 0 "[ . 1 . 2]" 1
757 1 3 GLN HA 1 6 LEU HB2 . . 3.790 2.420 2.309 2.585 . 0 0 "[ . 1 . 2]" 1
758 1 69 LEU H 1 69 LEU MD2 . . 4.210 3.269 2.923 3.656 . 0 0 "[ . 1 . 2]" 1
759 1 69 LEU HA 1 69 LEU MD2 . . 3.110 2.201 2.161 2.234 . 0 0 "[ . 1 . 2]" 1
760 1 67 GLU H 1 67 GLU HG2 . . 4.830 4.166 2.330 4.642 . 0 0 "[ . 1 . 2]" 1
761 1 14 GLU H 1 14 GLU HB3 . . 3.680 3.586 3.570 3.596 . 0 0 "[ . 1 . 2]" 1
762 1 11 ARG HA 1 11 ARG QD . . 4.710 3.908 2.280 4.182 . 0 0 "[ . 1 . 2]" 1
763 1 10 ARG HG2 1 11 ARG H . . 5.300 4.116 1.806 5.034 . 0 0 "[ . 1 . 2]" 1
764 1 41 LEU H 1 41 LEU HG . . 5.500 4.048 1.863 4.543 . 0 0 "[ . 1 . 2]" 1
765 1 7 GLU HA 1 7 GLU QG . . 3.850 2.773 2.256 3.428 . 0 0 "[ . 1 . 2]" 1
766 1 19 ILE MG 1 22 SER HB2 . . 5.500 4.369 3.729 5.357 . 0 0 "[ . 1 . 2]" 1
767 1 28 SER HB2 1 31 ALA H . . 4.940 3.779 2.696 4.913 . 0 0 "[ . 1 . 2]" 1
768 1 20 ALA HA 1 23 GLU HG2 . . 5.100 3.551 2.503 5.015 . 0 0 "[ . 1 . 2]" 1
769 1 20 ALA HA 1 23 GLU HG3 . . 5.100 2.587 2.313 3.405 . 0 0 "[ . 1 . 2]" 1
770 1 58 PRO HA 1 61 MET HB2 . . 5.420 4.346 2.814 5.082 . 0 0 "[ . 1 . 2]" 1
771 1 58 PRO HA 1 61 MET HB3 . . 5.420 4.629 4.391 5.166 . 0 0 "[ . 1 . 2]" 1
772 1 18 ARG HA 1 18 ARG QD . . 4.360 4.093 3.909 4.141 . 0 0 "[ . 1 . 2]" 1
773 1 60 GLN H 1 60 GLN HB3 . . 4.040 3.566 3.469 3.588 . 0 0 "[ . 1 . 2]" 1
774 1 59 GLU HA 1 62 ALA MB . . 3.870 2.446 2.279 2.784 . 0 0 "[ . 1 . 2]" 1
775 1 59 GLU H 1 59 GLU HG3 . . 4.960 4.353 4.268 4.457 . 0 0 "[ . 1 . 2]" 1
776 1 59 GLU H 1 59 GLU HG2 . . 4.960 4.510 4.456 4.657 . 0 0 "[ . 1 . 2]" 1
777 1 59 GLU HA 1 59 GLU HG2 . . 4.210 2.974 2.693 3.663 . 0 0 "[ . 1 . 2]" 1
778 1 6 LEU HA 1 8 GLN QB . . 5.500 5.070 4.904 5.173 . 0 0 "[ . 1 . 2]" 1
779 1 7 GLU HA 1 8 GLN QB . . 5.500 5.205 5.174 5.220 . 0 0 "[ . 1 . 2]" 1
780 1 53 ARG H 1 54 PRO HD3 . . 5.150 5.006 4.950 5.054 . 0 0 "[ . 1 . 2]" 1
781 1 52 THR HB 1 53 ARG H . . 4.440 4.282 3.991 4.480 0.040 4 0 "[ . 1 . 2]" 1
782 1 42 ASP H 1 42 ASP HB2 . . 4.020 2.650 2.321 3.600 . 0 0 "[ . 1 . 2]" 1
783 1 41 LEU H 1 41 LEU MD2 . . 4.680 3.246 1.725 4.363 . 0 0 "[ . 1 . 2]" 1
784 1 10 ARG HG3 1 11 ARG H . . 5.300 4.084 2.338 4.799 . 0 0 "[ . 1 . 2]" 1
785 1 39 ARG HB3 1 40 SER H . . 4.900 3.538 2.726 4.458 . 0 0 "[ . 1 . 2]" 1
786 1 36 ALA HA 1 39 ARG HB2 . . 5.100 4.141 2.944 5.120 0.020 2 0 "[ . 1 . 2]" 1
787 1 36 ALA HA 1 39 ARG HB3 . . 5.100 3.365 2.344 4.617 . 0 0 "[ . 1 . 2]" 1
788 1 6 LEU HA 1 6 LEU MD1 . . 4.580 3.785 3.779 3.794 . 0 0 "[ . 1 . 2]" 1
789 1 34 ASP QB 1 35 LEU HA . . 5.300 3.915 3.753 4.100 . 0 0 "[ . 1 . 2]" 1
790 1 35 LEU H 1 35 LEU MD2 . . 4.280 3.594 3.162 3.914 . 0 0 "[ . 1 . 2]" 1
791 1 27 ILE MG 1 29 ASP QB . . 5.380 4.434 2.421 5.385 0.005 2 0 "[ . 1 . 2]" 1
792 1 31 ALA MB 1 34 ASP QB . . 5.070 4.062 3.820 4.317 . 0 0 "[ . 1 . 2]" 1
793 1 29 ASP QB 1 33 ALA MB . . 5.500 4.197 3.682 4.578 . 0 0 "[ . 1 . 2]" 1
794 1 33 ALA MB 1 34 ASP QB . . 5.500 3.937 3.578 4.334 . 0 0 "[ . 1 . 2]" 1
795 1 34 ASP QB 1 37 LEU QB . . 5.500 4.660 4.280 5.502 0.002 17 0 "[ . 1 . 2]" 1
796 1 2 GLN HA 1 6 LEU MD1 . . 3.980 3.403 3.329 3.473 . 0 0 "[ . 1 . 2]" 1
797 1 29 ASP HA 1 32 GLN HB2 . . 4.820 3.072 2.836 3.442 . 0 0 "[ . 1 . 2]" 1
798 1 2 GLN QB 1 6 LEU MD1 . . 4.180 2.055 2.028 2.279 . 0 0 "[ . 1 . 2]" 1
799 1 17 LEU MD2 1 21 GLN QB . . 4.880 4.447 3.387 4.833 . 0 0 "[ . 1 . 2]" 1
800 1 2 GLN QG 1 6 LEU MD1 . . 4.180 3.616 2.124 3.898 . 0 0 "[ . 1 . 2]" 1
801 1 2 GLN HA 1 2 GLN QG . . 3.740 2.530 2.148 2.955 . 0 0 "[ . 1 . 2]" 1
802 1 28 SER HA 1 31 ALA MB . . 4.660 4.527 4.224 4.680 0.020 16 0 "[ . 1 . 2]" 1
803 1 29 ASP HA 1 32 GLN HB3 . . 4.820 4.568 4.365 4.832 0.012 14 0 "[ . 1 . 2]" 1
804 1 25 GLU HB2 1 26 LEU HA . . 5.420 4.825 4.617 4.951 . 0 0 "[ . 1 . 2]" 1
805 1 25 GLU HB3 1 26 LEU HA . . 5.500 5.374 5.253 5.518 0.018 11 0 "[ . 1 . 2]" 1
806 1 26 LEU HA 1 27 ILE HB . . 5.500 5.205 4.992 5.378 . 0 0 "[ . 1 . 2]" 1
807 1 25 GLU HB3 1 26 LEU H . . 4.500 3.874 3.816 3.997 . 0 0 "[ . 1 . 2]" 1
808 1 22 SER HA 1 25 GLU HB2 . . 3.960 2.928 2.652 3.116 . 0 0 "[ . 1 . 2]" 1
809 1 17 LEU HA 1 20 ALA H . . 4.460 3.637 3.448 3.899 . 0 0 "[ . 1 . 2]" 1
810 1 21 GLN HA 1 24 ALA H . . 4.740 3.622 3.425 3.778 . 0 0 "[ . 1 . 2]" 1
811 1 17 LEU HG 1 21 GLN QB . . 4.530 3.962 3.044 4.441 . 0 0 "[ . 1 . 2]" 1
812 1 16 ALA HA 1 19 ILE MG . . 4.890 4.390 4.262 4.586 . 0 0 "[ . 1 . 2]" 1
813 1 16 ALA HA 1 19 ILE HG12 . . 5.310 4.963 4.751 5.241 . 0 0 "[ . 1 . 2]" 1
814 1 21 GLN H 1 21 GLN HG2 . . 4.280 2.929 2.198 3.808 . 0 0 "[ . 1 . 2]" 1
815 1 32 GLN H 1 32 GLN HG2 . . 4.210 2.002 1.760 3.694 . 0 0 "[ . 1 . 2]" 1
816 1 11 ARG QD 1 15 LEU MD1 . . 4.660 3.698 2.762 4.396 . 0 0 "[ . 1 . 2]" 1
817 1 27 ILE MG 1 28 SER HB2 . . 5.500 4.896 3.848 5.512 0.012 10 0 "[ . 1 . 2]" 1
818 1 57 THR HA 1 60 GLN HB2 . . 5.500 4.594 4.385 4.968 . 0 0 "[ . 1 . 2]" 1
819 1 56 MET HA 1 60 GLN HB3 . . 5.500 4.135 3.549 5.512 0.012 10 0 "[ . 1 . 2]" 1
820 1 32 GLN HA 1 36 ALA H . . 4.030 3.940 3.744 4.040 0.010 14 0 "[ . 1 . 2]" 1
821 1 2 GLN HA 1 6 LEU HG . . 3.620 3.024 2.962 3.089 . 0 0 "[ . 1 . 2]" 1
822 1 6 LEU HA 1 6 LEU HG . . 4.060 2.817 2.735 2.873 . 0 0 "[ . 1 . 2]" 1
823 1 19 ILE HA 1 19 ILE HG12 . . 3.880 2.553 2.526 2.588 . 0 0 "[ . 1 . 2]" 1
824 1 68 PHE HB3 1 69 LEU MD2 . . 5.500 3.695 3.132 4.041 . 0 0 "[ . 1 . 2]" 1
825 1 64 GLU HA 1 65 MET HA . . 4.870 4.815 4.740 4.858 . 0 0 "[ . 1 . 2]" 1
826 1 60 GLN HA 1 63 LYS HB3 . . 4.570 3.488 2.879 4.578 0.008 9 0 "[ . 1 . 2]" 1
827 1 60 GLN HA 1 63 LYS HB2 . . 4.570 3.724 2.915 4.393 . 0 0 "[ . 1 . 2]" 1
828 1 2 GLN QB 1 5 VAL MG1 . . 5.210 3.698 3.534 3.849 . 0 0 "[ . 1 . 2]" 1
829 1 59 GLU HG3 1 62 ALA MB . . 5.500 4.018 3.670 4.284 . 0 0 "[ . 1 . 2]" 1
830 1 59 GLU HG2 1 62 ALA MB . . 5.500 4.345 3.707 5.243 . 0 0 "[ . 1 . 2]" 1
831 1 68 PHE QD 1 69 LEU MD2 . . 4.230 2.718 2.287 3.347 . 0 0 "[ . 1 . 2]" 1
832 1 9 GLU H 1 9 GLU HB2 . . 3.960 2.382 2.231 3.607 . 0 0 "[ . 1 . 2]" 1
833 1 7 GLU QG 1 8 GLN H . . 4.630 3.374 1.829 4.194 . 0 0 "[ . 1 . 2]" 1
834 1 44 TYR HA 1 45 PRO QG . . 5.060 4.025 3.991 4.104 . 0 0 "[ . 1 . 2]" 1
835 1 33 ALA MB 1 34 ASP HA . . 4.710 3.756 3.677 3.832 . 0 0 "[ . 1 . 2]" 1
836 1 5 VAL MG2 1 6 LEU H . . 4.160 3.455 3.246 3.720 . 0 0 "[ . 1 . 2]" 1
837 1 48 LYS HA 1 48 LYS QD . . 5.090 3.905 2.284 4.472 . 0 0 "[ . 1 . 2]" 1
838 1 37 LEU H 1 40 SER QB . . 5.270 4.933 4.557 5.270 0.000 1 0 "[ . 1 . 2]" 1
839 1 22 SER H 1 22 SER HB2 . . 3.680 2.488 2.361 2.783 . 0 0 "[ . 1 . 2]" 1
840 1 22 SER HB2 1 23 GLU H . . 4.190 3.403 2.241 3.758 . 0 0 "[ . 1 . 2]" 1
841 1 19 ILE MG 1 22 SER HB3 . . 5.010 3.682 3.139 5.009 . 0 0 "[ . 1 . 2]" 1
842 1 22 SER HB2 1 25 GLU HB2 . . 5.500 5.478 5.305 5.532 0.032 14 0 "[ . 1 . 2]" 1
843 1 1 GLN H1 1 1 GLN QB . . 3.420 2.391 2.219 2.734 . 0 0 "[ . 1 . 2]" 1
844 1 1 GLN QB 1 5 VAL H . . 4.750 4.258 3.618 4.753 0.003 18 0 "[ . 1 . 2]" 1
845 1 1 GLN QB 1 5 VAL MG1 . . 4.760 3.755 3.425 4.088 . 0 0 "[ . 1 . 2]" 1
846 1 1 GLN QE 1 5 VAL MG1 . . 5.100 4.248 3.136 5.106 0.006 16 0 "[ . 1 . 2]" 1
847 1 2 GLN HA 1 2 GLN QE . . 5.120 3.387 1.991 4.191 . 0 0 "[ . 1 . 2]" 1
848 1 2 GLN QE 1 5 VAL MG1 . . 5.340 3.963 2.393 5.001 . 0 0 "[ . 1 . 2]" 1
849 1 3 GLN HA 1 3 GLN QE . . 4.680 1.972 1.764 2.372 . 0 0 "[ . 1 . 2]" 1
850 1 3 GLN QE 1 6 LEU HB2 . . 5.340 3.182 2.885 3.662 . 0 0 "[ . 1 . 2]" 1
851 1 3 GLN QE 1 6 LEU HB3 . . 5.340 3.747 3.413 4.239 . 0 0 "[ . 1 . 2]" 1
852 1 3 GLN QE 1 6 LEU HG . . 5.330 4.927 4.580 5.345 0.015 20 0 "[ . 1 . 2]" 1
853 1 3 GLN QE 1 6 LEU MD1 . . 4.160 2.899 2.405 3.500 . 0 0 "[ . 1 . 2]" 1
854 1 3 GLN QE 1 7 GLU HA . . 5.340 4.932 3.558 5.347 0.007 12 0 "[ . 1 . 2]" 1
855 1 3 GLN QE 1 7 GLU QG . . 5.190 3.503 1.858 5.201 0.011 5 0 "[ . 1 . 2]" 1
856 1 5 VAL MG2 1 9 GLU QG . . 4.260 2.407 2.010 3.315 . 0 0 "[ . 1 . 2]" 1
857 1 6 LEU H 1 7 GLU QB . . 5.340 4.785 4.526 5.002 . 0 0 "[ . 1 . 2]" 1
858 1 6 LEU H 1 9 GLU QB . . 5.340 4.943 4.712 5.218 . 0 0 "[ . 1 . 2]" 1
859 1 7 GLU H 1 7 GLU QB . . 3.160 2.360 2.285 2.449 . 0 0 "[ . 1 . 2]" 1
860 1 7 GLU QB 1 8 GLN H . . 3.990 2.874 2.412 3.557 . 0 0 "[ . 1 . 2]" 1
861 1 8 GLN HA 1 8 GLN QE . . 4.180 2.630 2.114 3.163 . 0 0 "[ . 1 . 2]" 1
862 1 8 GLN HA 1 11 ARG QB . . 3.820 2.887 2.547 3.120 . 0 0 "[ . 1 . 2]" 1
863 1 8 GLN HA 1 11 ARG QG . . 5.340 4.544 2.945 5.075 . 0 0 "[ . 1 . 2]" 1
864 1 8 GLN QB 1 8 GLN QE . . 4.010 3.501 3.317 3.674 . 0 0 "[ . 1 . 2]" 1
865 1 8 GLN QE 1 8 GLN QG . . 2.830 2.215 2.178 2.316 . 0 0 "[ . 1 . 2]" 1
866 1 8 GLN QE 1 11 ARG H . . 5.260 4.899 4.063 5.257 . 0 0 "[ . 1 . 2]" 1
867 1 8 GLN QE 1 11 ARG QB . . 4.180 3.146 2.305 3.685 . 0 0 "[ . 1 . 2]" 1
868 1 8 GLN QE 1 11 ARG QD . . 4.410 3.621 2.626 4.417 0.007 10 0 "[ . 1 . 2]" 1
869 1 8 GLN QE 1 12 ASP H . . 4.710 3.253 2.365 3.844 . 0 0 "[ . 1 . 2]" 1
870 1 8 GLN QE 1 12 ASP HA . . 4.830 3.912 3.209 4.304 . 0 0 "[ . 1 . 2]" 1
871 1 8 GLN QE 1 12 ASP QB . . 5.180 2.734 1.797 3.222 . 0 0 "[ . 1 . 2]" 1
872 1 8 GLN QE 1 15 LEU QD . . 4.850 4.484 3.691 4.855 0.005 3 0 "[ . 1 . 2]" 1
873 1 9 GLU H 1 9 GLU QB . . 3.250 2.293 2.208 2.363 . 0 0 "[ . 1 . 2]" 1
874 1 9 GLU H 1 9 GLU QG . . 3.480 2.460 2.335 2.711 . 0 0 "[ . 1 . 2]" 1
875 1 9 GLU H 1 10 ARG QB . . 4.870 4.628 4.485 4.882 0.012 15 0 "[ . 1 . 2]" 1
876 1 9 GLU H 1 10 ARG QG . . 5.330 4.401 3.920 4.817 . 0 0 "[ . 1 . 2]" 1
877 1 9 GLU H 1 12 ASP QB . . 4.840 4.602 4.421 4.846 0.006 10 0 "[ . 1 . 2]" 1
878 1 9 GLU HA 1 12 ASP QB . . 3.540 2.627 2.395 2.806 . 0 0 "[ . 1 . 2]" 1
879 1 9 GLU QB 1 10 ARG H . . 3.670 2.423 2.257 3.415 . 0 0 "[ . 1 . 2]" 1
880 1 9 GLU QG 1 10 ARG H . . 4.580 3.998 1.794 4.205 . 0 0 "[ . 1 . 2]" 1
881 1 10 ARG H 1 10 ARG QB . . 3.100 2.394 2.322 2.545 . 0 0 "[ . 1 . 2]" 1
882 1 10 ARG H 1 10 ARG QG . . 3.770 2.247 1.917 2.478 . 0 0 "[ . 1 . 2]" 1
883 1 10 ARG H 1 10 ARG QD . . 4.690 3.781 3.447 4.380 . 0 0 "[ . 1 . 2]" 1
884 1 10 ARG H 1 12 ASP QB . . 5.340 4.924 4.682 5.123 . 0 0 "[ . 1 . 2]" 1
885 1 10 ARG HA 1 10 ARG QG . . 3.690 2.567 2.252 3.295 . 0 0 "[ . 1 . 2]" 1
886 1 10 ARG QB 1 10 ARG HE . . 4.760 2.925 1.800 4.193 . 0 0 "[ . 1 . 2]" 1
887 1 10 ARG QB 1 11 ARG H . . 3.800 2.571 2.262 3.370 . 0 0 "[ . 1 . 2]" 1
888 1 10 ARG QG 1 11 ARG H . . 4.650 3.603 1.754 4.145 . 0 0 "[ . 1 . 2]" 1
889 1 11 ARG H 1 11 ARG QB . . 3.160 2.278 2.214 2.500 . 0 0 "[ . 1 . 2]" 1
890 1 11 ARG H 1 11 ARG QG . . 4.440 3.440 2.003 3.954 . 0 0 "[ . 1 . 2]" 1
891 1 11 ARG H 1 15 LEU QD . . 5.440 5.022 4.550 5.455 0.015 19 0 "[ . 1 . 2]" 1
892 1 11 ARG HA 1 14 GLU QG . . 4.700 3.308 2.880 3.770 . 0 0 "[ . 1 . 2]" 1
893 1 11 ARG HA 1 15 LEU QD . . 4.290 3.092 2.509 3.836 . 0 0 "[ . 1 . 2]" 1
894 1 11 ARG QB 1 12 ASP H . . 3.410 2.236 2.035 2.741 . 0 0 "[ . 1 . 2]" 1
895 1 11 ARG QB 1 12 ASP HA . . 4.790 3.933 3.742 4.160 . 0 0 "[ . 1 . 2]" 1
896 1 11 ARG QB 1 15 LEU QD . . 4.500 3.298 2.209 3.804 . 0 0 "[ . 1 . 2]" 1
897 1 11 ARG QG 1 12 ASP H . . 4.530 3.570 3.119 4.209 . 0 0 "[ . 1 . 2]" 1
898 1 11 ARG QG 1 15 LEU QD . . 4.170 2.480 1.974 3.950 . 0 0 "[ . 1 . 2]" 1
899 1 11 ARG QD 1 15 LEU QD . . 3.890 3.241 2.672 3.890 . 17 0 "[ . 1 . 2]" 1
900 1 12 ASP H 1 12 ASP QB . . 3.130 2.249 2.196 2.277 . 0 0 "[ . 1 . 2]" 1
901 1 12 ASP H 1 13 ARG QG . . 5.340 4.691 3.764 4.932 . 0 0 "[ . 1 . 2]" 1
902 1 12 ASP H 1 15 LEU QD . . 5.250 4.207 3.182 4.533 . 0 0 "[ . 1 . 2]" 1
903 1 12 ASP HA 1 15 LEU QD . . 4.240 3.393 2.283 3.831 . 0 0 "[ . 1 . 2]" 1
904 1 12 ASP QB 1 13 ARG H . . 3.540 2.390 2.141 2.534 . 0 0 "[ . 1 . 2]" 1
905 1 13 ARG H 1 13 ARG QB . . 3.230 2.363 2.275 2.526 . 0 0 "[ . 1 . 2]" 1
906 1 13 ARG H 1 13 ARG QG . . 3.580 2.290 1.909 2.560 . 0 0 "[ . 1 . 2]" 1
907 1 13 ARG H 1 15 LEU QD . . 5.390 4.938 4.494 5.376 . 0 0 "[ . 1 . 2]" 1
908 1 13 ARG HA 1 13 ARG QG . . 3.660 2.449 2.253 3.301 . 0 0 "[ . 1 . 2]" 1
909 1 13 ARG QG 1 14 GLU H . . 5.040 3.946 1.870 4.152 . 0 0 "[ . 1 . 2]" 1
910 1 14 GLU H 1 14 GLU QG . . 3.340 2.254 2.177 2.375 . 0 0 "[ . 1 . 2]" 1
911 1 14 GLU H 1 15 LEU QD . . 4.370 4.015 3.859 4.422 0.052 10 0 "[ . 1 . 2]" 1
912 1 14 GLU HA 1 14 GLU QG . . 3.570 2.489 2.276 2.665 . 0 0 "[ . 1 . 2]" 1
913 1 14 GLU HA 1 17 LEU QB . . 3.650 2.875 2.631 3.002 . 0 0 "[ . 1 . 2]" 1
914 1 14 GLU HB2 1 15 LEU QD . . 4.900 2.618 2.412 3.865 . 0 0 "[ . 1 . 2]" 1
915 1 14 GLU QG 1 15 LEU H . . 4.410 4.031 3.958 4.099 . 0 0 "[ . 1 . 2]" 1
916 1 15 LEU H 1 15 LEU QD . . 3.910 1.908 1.708 2.862 . 0 0 "[ . 1 . 2]" 1
917 1 15 LEU HA 1 15 LEU QD . . 3.830 2.275 2.101 2.326 . 0 0 "[ . 1 . 2]" 1
918 1 15 LEU QD 1 16 ALA H . . 4.210 3.641 3.566 3.780 . 0 0 "[ . 1 . 2]" 1
919 1 16 ALA H 1 19 ILE QG . . 4.940 4.421 4.225 4.718 . 0 0 "[ . 1 . 2]" 1
920 1 16 ALA HA 1 19 ILE QG . . 4.460 3.382 3.180 3.624 . 0 0 "[ . 1 . 2]" 1
921 1 17 LEU H 1 17 LEU QB . . 2.940 2.244 2.224 2.265 . 0 0 "[ . 1 . 2]" 1
922 1 17 LEU H 1 18 ARG QB . . 4.480 4.453 4.364 4.490 0.010 6 0 "[ . 1 . 2]" 1
923 1 17 LEU HA 1 21 GLN QE . . 4.620 4.160 3.267 4.633 0.013 14 0 "[ . 1 . 2]" 1
924 1 17 LEU QB 1 18 ARG H . . 3.380 2.456 2.272 2.680 . 0 0 "[ . 1 . 2]" 1
925 1 17 LEU HG 1 21 GLN QE . . 4.700 2.724 1.758 3.701 . 0 0 "[ . 1 . 2]" 1
926 1 17 LEU MD1 1 21 GLN QG . . 5.330 3.808 2.816 5.333 0.003 7 0 "[ . 1 . 2]" 1
927 1 17 LEU MD1 1 21 GLN QE . . 4.150 3.215 2.502 3.786 . 0 0 "[ . 1 . 2]" 1
928 1 17 LEU MD2 1 18 ARG QG . . 5.070 3.694 2.943 3.863 . 0 0 "[ . 1 . 2]" 1
929 1 17 LEU MD2 1 21 GLN QG . . 5.340 3.735 2.382 5.315 . 0 0 "[ . 1 . 2]" 1
930 1 17 LEU MD2 1 21 GLN QE . . 4.400 3.047 1.868 4.396 . 0 0 "[ . 1 . 2]" 1
931 1 18 ARG H 1 18 ARG QB . . 3.450 2.303 2.229 2.376 . 0 0 "[ . 1 . 2]" 1
932 1 18 ARG H 1 18 ARG QG . . 4.150 2.417 2.267 2.604 . 0 0 "[ . 1 . 2]" 1
933 1 18 ARG QB 1 19 ILE H . . 3.930 2.391 2.250 2.565 . 0 0 "[ . 1 . 2]" 1
934 1 18 ARG QB 1 19 ILE QG . . 4.750 2.985 2.884 3.067 . 0 0 "[ . 1 . 2]" 1
935 1 18 ARG HE 1 19 ILE QG . . 5.140 4.462 3.731 5.136 . 0 0 "[ . 1 . 2]" 1
936 1 19 ILE H 1 19 ILE QG . . 3.140 1.840 1.788 1.944 . 0 0 "[ . 1 . 2]" 1
937 1 19 ILE MG 1 23 GLU QG . . 3.650 2.670 2.289 3.114 . 0 0 "[ . 1 . 2]" 1
938 1 19 ILE QG 1 20 ALA H . . 4.250 3.748 3.650 3.930 . 0 0 "[ . 1 . 2]" 1
939 1 20 ALA H 1 21 GLN QG . . 5.340 4.570 3.905 4.940 . 0 0 "[ . 1 . 2]" 1
940 1 20 ALA H 1 23 GLU QG . . 5.340 4.180 4.025 4.605 . 0 0 "[ . 1 . 2]" 1
941 1 20 ALA MB 1 21 GLN QE . . 4.830 3.886 3.374 4.233 . 0 0 "[ . 1 . 2]" 1
942 1 21 GLN H 1 21 GLN QG . . 3.580 2.363 2.176 2.810 . 0 0 "[ . 1 . 2]" 1
943 1 21 GLN HA 1 21 GLN QG . . 3.680 2.649 2.317 3.293 . 0 0 "[ . 1 . 2]" 1
944 1 21 GLN HA 1 21 GLN QE . . 5.250 3.998 3.221 4.732 . 0 0 "[ . 1 . 2]" 1
945 1 21 GLN QG 1 22 SER H . . 4.650 3.903 1.966 4.318 . 0 0 "[ . 1 . 2]" 1
946 1 22 SER H 1 23 GLU QG . . 5.340 3.820 3.574 4.040 . 0 0 "[ . 1 . 2]" 1
947 1 22 SER HA 1 23 GLU QG . . 5.340 4.985 4.697 5.311 . 0 0 "[ . 1 . 2]" 1
948 1 22 SER HA 1 25 GLU QG . . 5.340 4.125 3.794 4.475 . 0 0 "[ . 1 . 2]" 1
949 1 23 GLU H 1 23 GLU QG . . 3.330 2.091 1.808 2.439 . 0 0 "[ . 1 . 2]" 1
950 1 23 GLU HA 1 23 GLU QG . . 3.690 3.032 2.565 3.429 . 0 0 "[ . 1 . 2]" 1
951 1 23 GLU HA 1 26 LEU QB . . 5.150 4.663 3.272 5.153 0.003 11 0 "[ . 1 . 2]" 1
952 1 23 GLU HA 1 26 LEU QD . . 4.200 3.408 2.290 3.999 . 0 0 "[ . 1 . 2]" 1
953 1 23 GLU QG 1 24 ALA H . . 4.490 2.727 1.845 3.554 . 0 0 "[ . 1 . 2]" 1
954 1 23 GLU QG 1 24 ALA HA . . 5.340 4.610 3.719 5.480 0.140 7 0 "[ . 1 . 2]" 1
955 1 24 ALA H 1 25 GLU QG . . 5.340 4.438 4.120 4.679 . 0 0 "[ . 1 . 2]" 1
956 1 24 ALA H 1 26 LEU QD . . 5.440 5.167 3.812 5.452 0.012 20 0 "[ . 1 . 2]" 1
957 1 24 ALA HA 1 25 GLU QG . . 5.340 5.022 4.809 5.124 . 0 0 "[ . 1 . 2]" 1
958 1 25 GLU H 1 25 GLU QG . . 3.360 2.474 2.317 2.617 . 0 0 "[ . 1 . 2]" 1
959 1 25 GLU H 1 26 LEU QD . . 5.440 4.956 3.406 5.312 . 0 0 "[ . 1 . 2]" 1
960 1 25 GLU QG 1 26 LEU H . . 4.430 4.235 4.074 4.334 . 0 0 "[ . 1 . 2]" 1
961 1 26 LEU H 1 26 LEU QB . . 3.020 2.961 2.815 3.072 0.052 5 0 "[ . 1 . 2]" 1
962 1 26 LEU H 1 26 LEU QD . . 4.080 3.451 2.311 3.632 . 0 0 "[ . 1 . 2]" 1
963 1 26 LEU H 1 27 ILE QG . . 5.340 4.287 3.877 4.966 . 0 0 "[ . 1 . 2]" 1
964 1 27 ILE H 1 27 ILE QG . . 3.430 2.736 2.525 3.162 . 0 0 "[ . 1 . 2]" 1
965 1 27 ILE QG 1 28 SER H . . 4.390 4.098 3.663 4.379 . 0 0 "[ . 1 . 2]" 1
966 1 28 SER H 1 28 SER QB . . 3.150 2.656 2.274 3.244 0.094 9 0 "[ . 1 . 2]" 1
967 1 28 SER QB 1 29 ASP H . . 4.030 3.934 3.867 4.063 0.033 20 0 "[ . 1 . 2]" 1
968 1 28 SER QB 1 30 GLU H . . 4.130 3.978 3.693 4.145 0.015 2 0 "[ . 1 . 2]" 1
969 1 28 SER QB 1 30 GLU QB . . 5.180 4.322 3.402 5.196 0.016 18 0 "[ . 1 . 2]" 1
970 1 28 SER QB 1 30 GLU QG . . 5.180 4.266 2.680 5.206 0.026 19 0 "[ . 1 . 2]" 1
971 1 28 SER QB 1 31 ALA H . . 4.340 3.115 2.674 3.626 . 0 0 "[ . 1 . 2]" 1
972 1 28 SER QB 1 31 ALA MB . . 4.170 2.690 2.458 3.165 . 0 0 "[ . 1 . 2]" 1
973 1 29 ASP H 1 30 GLU QB . . 4.710 4.593 4.459 4.728 0.018 14 0 "[ . 1 . 2]" 1
974 1 29 ASP HA 1 32 GLN QB . . 4.080 3.026 2.803 3.373 . 0 0 "[ . 1 . 2]" 1
975 1 29 ASP HA 1 32 GLN QG . . 4.800 2.778 2.273 4.171 . 0 0 "[ . 1 . 2]" 1
976 1 29 ASP HA 1 32 GLN QE . . 5.340 4.932 4.452 5.345 0.005 17 0 "[ . 1 . 2]" 1
977 1 29 ASP QB 1 30 GLU QB . . 5.330 4.376 4.136 4.894 . 0 0 "[ . 1 . 2]" 1
978 1 30 GLU H 1 30 GLU QB . . 3.020 2.324 2.178 2.470 . 0 0 "[ . 1 . 2]" 1
979 1 30 GLU H 1 30 GLU QG . . 4.040 3.137 2.010 4.054 0.014 12 0 "[ . 1 . 2]" 1
980 1 30 GLU QB 1 31 ALA H . . 3.950 2.869 2.237 3.537 . 0 0 "[ . 1 . 2]" 1
981 1 30 GLU QG 1 31 ALA H . . 4.470 2.749 1.777 3.761 . 0 0 "[ . 1 . 2]" 1
982 1 30 GLU QG 1 31 ALA HA . . 5.340 3.421 3.008 3.971 . 0 0 "[ . 1 . 2]" 1
983 1 30 GLU QG 1 31 ALA MB . . 5.340 3.654 2.844 4.546 . 0 0 "[ . 1 . 2]" 1
984 1 31 ALA H 1 32 GLN QG . . 5.340 4.146 3.861 5.355 0.015 16 0 "[ . 1 . 2]" 1
985 1 31 ALA H 1 35 LEU QD . . 5.440 5.081 4.833 5.315 . 0 0 "[ . 1 . 2]" 1
986 1 31 ALA HA 1 35 LEU QD . . 5.210 3.508 2.766 3.871 . 0 0 "[ . 1 . 2]" 1
987 1 31 ALA MB 1 32 GLN QB . . 4.890 4.269 4.075 4.356 . 0 0 "[ . 1 . 2]" 1
988 1 31 ALA MB 1 32 GLN QE . . 4.330 2.982 1.857 4.319 . 0 0 "[ . 1 . 2]" 1
989 1 32 GLN H 1 32 GLN QB . . 3.200 2.606 2.345 2.762 . 0 0 "[ . 1 . 2]" 1
990 1 32 GLN H 1 32 GLN QG . . 3.630 1.940 1.754 3.220 . 0 0 "[ . 1 . 2]" 1
991 1 32 GLN H 1 32 GLN QE . . 5.340 3.240 1.844 4.347 . 0 0 "[ . 1 . 2]" 1
992 1 32 GLN H 1 35 LEU QD . . 4.920 3.908 3.443 4.292 . 0 0 "[ . 1 . 2]" 1
993 1 32 GLN HA 1 32 GLN QE . . 4.410 3.074 2.233 3.623 . 0 0 "[ . 1 . 2]" 1
994 1 32 GLN HA 1 35 LEU QB . . 4.290 2.912 2.570 3.223 . 0 0 "[ . 1 . 2]" 1
995 1 32 GLN HA 1 35 LEU QD . . 3.530 2.793 2.298 3.491 . 0 0 "[ . 1 . 2]" 1
996 1 32 GLN QB 1 33 ALA H . . 3.430 2.343 2.044 2.488 . 0 0 "[ . 1 . 2]" 1
997 1 32 GLN QB 1 33 ALA MB . . 5.140 3.701 3.584 3.821 . 0 0 "[ . 1 . 2]" 1
998 1 32 GLN QB 1 36 ALA H . . 5.340 4.734 4.616 4.848 . 0 0 "[ . 1 . 2]" 1
999 1 32 GLN QB 1 36 ALA MB . . 4.840 4.014 3.815 4.334 . 0 0 "[ . 1 . 2]" 1
1000 1 32 GLN QG 1 33 ALA H . . 5.340 3.765 3.493 4.391 . 0 0 "[ . 1 . 2]" 1
1001 1 32 GLN QE 1 35 LEU QD . . 4.150 3.267 2.091 4.150 . 0 0 "[ . 1 . 2]" 1
1002 1 33 ALA H 1 35 LEU QD . . 5.440 5.030 4.722 5.319 . 0 0 "[ . 1 . 2]" 1
1003 1 33 ALA H 1 37 LEU QD . . 5.440 5.152 4.884 5.465 0.025 8 0 "[ . 1 . 2]" 1
1004 1 34 ASP H 1 35 LEU QD . . 5.390 4.620 3.803 4.890 . 0 0 "[ . 1 . 2]" 1
1005 1 34 ASP H 1 37 LEU QD . . 5.440 3.819 3.467 4.190 . 0 0 "[ . 1 . 2]" 1
1006 1 34 ASP HA 1 37 LEU QD . . 4.420 2.534 2.041 3.204 . 0 0 "[ . 1 . 2]" 1
1007 1 34 ASP QB 1 35 LEU QB . . 5.340 4.187 3.940 4.350 . 0 0 "[ . 1 . 2]" 1
1008 1 34 ASP QB 1 35 LEU QD . . 5.440 3.486 2.286 3.976 . 0 0 "[ . 1 . 2]" 1
1009 1 34 ASP QB 1 37 LEU QD . . 5.440 4.112 3.486 4.659 . 0 0 "[ . 1 . 2]" 1
1010 1 35 LEU H 1 35 LEU QB . . 3.060 2.433 2.284 2.598 . 0 0 "[ . 1 . 2]" 1
1011 1 35 LEU HA 1 35 LEU QD . . 3.490 2.227 2.180 2.298 . 0 0 "[ . 1 . 2]" 1
1012 1 35 LEU HA 1 38 ARG QB . . 4.080 2.533 2.277 3.018 . 0 0 "[ . 1 . 2]" 1
1013 1 35 LEU QB 1 36 ALA H . . 3.510 2.530 2.355 2.742 . 0 0 "[ . 1 . 2]" 1
1014 1 35 LEU QB 1 36 ALA HA . . 4.770 3.861 3.806 3.933 . 0 0 "[ . 1 . 2]" 1
1015 1 35 LEU QD 1 36 ALA H . . 5.120 3.961 3.705 4.095 . 0 0 "[ . 1 . 2]" 1
1016 1 36 ALA HA 1 39 ARG QB . . 4.240 3.183 2.322 4.262 0.022 20 0 "[ . 1 . 2]" 1
1017 1 37 LEU H 1 37 LEU QD . . 3.730 3.006 2.834 3.122 . 0 0 "[ . 1 . 2]" 1
1018 1 37 LEU HA 1 37 LEU QD . . 3.490 2.314 2.142 3.251 . 0 0 "[ . 1 . 2]" 1
1019 1 37 LEU QD 1 38 ARG H . . 4.770 4.035 3.008 4.342 . 0 0 "[ . 1 . 2]" 1
1020 1 37 LEU QD 1 40 SER QB . . 5.250 3.816 3.324 4.572 . 0 0 "[ . 1 . 2]" 1
1021 1 38 ARG H 1 38 ARG QB . . 3.010 2.324 2.251 2.637 . 0 0 "[ . 1 . 2]" 1
1022 1 38 ARG H 1 38 ARG QG . . 4.060 3.667 1.937 4.053 . 0 0 "[ . 1 . 2]" 1
1023 1 38 ARG HA 1 38 ARG QG . . 3.650 2.360 2.270 2.505 . 0 0 "[ . 1 . 2]" 1
1024 1 38 ARG QB 1 38 ARG QD . . 3.310 2.193 2.108 2.288 . 0 0 "[ . 1 . 2]" 1
1025 1 38 ARG QB 1 39 ARG H . . 4.130 2.558 2.176 2.934 . 0 0 "[ . 1 . 2]" 1
1026 1 38 ARG QG 1 39 ARG H . . 3.740 3.616 3.240 3.760 0.020 16 0 "[ . 1 . 2]" 1
1027 1 39 ARG H 1 39 ARG QB . . 3.080 2.301 2.145 2.625 . 0 0 "[ . 1 . 2]" 1
1028 1 39 ARG H 1 39 ARG QG . . 3.770 3.206 1.839 3.855 0.085 17 0 "[ . 1 . 2]" 1
1029 1 39 ARG HA 1 39 ARG QG . . 3.530 2.709 2.194 3.347 . 0 0 "[ . 1 . 2]" 1
1030 1 39 ARG QB 1 39 ARG QD . . 3.410 2.207 2.108 2.503 . 0 0 "[ . 1 . 2]" 1
1031 1 39 ARG QB 1 40 SER H . . 4.300 3.291 2.654 3.950 . 0 0 "[ . 1 . 2]" 1
1032 1 39 ARG QG 1 40 SER H . . 4.530 3.455 2.230 4.535 0.005 9 0 "[ . 1 . 2]" 1
1033 1 39 ARG QG 1 40 SER HA . . 5.340 3.802 3.182 5.087 . 0 0 "[ . 1 . 2]" 1
1034 1 40 SER HA 1 41 LEU QB . . 5.340 4.368 4.049 5.248 . 0 0 "[ . 1 . 2]" 1
1035 1 41 LEU H 1 41 LEU QB . . 2.940 2.267 2.105 2.864 . 0 0 "[ . 1 . 2]" 1
1036 1 41 LEU H 1 41 LEU QD . . 3.850 2.788 1.722 3.702 . 0 0 "[ . 1 . 2]" 1
1037 1 41 LEU H 1 42 ASP QB . . 5.340 4.476 4.131 4.969 . 0 0 "[ . 1 . 2]" 1
1038 1 41 LEU HA 1 41 LEU QD . . 3.180 2.179 1.927 3.144 . 0 0 "[ . 1 . 2]" 1
1039 1 41 LEU QB 1 42 ASP H . . 3.380 2.972 2.548 3.356 . 0 0 "[ . 1 . 2]" 1
1040 1 41 LEU QB 1 43 SER H . . 4.730 4.351 3.908 4.734 0.004 16 0 "[ . 1 . 2]" 1
1041 1 42 ASP H 1 42 ASP QB . . 3.160 2.373 2.230 2.668 . 0 0 "[ . 1 . 2]" 1
1042 1 42 ASP QB 1 43 SER H . . 4.370 3.513 2.785 3.997 . 0 0 "[ . 1 . 2]" 1
1043 1 42 ASP QB 1 43 SER HA . . 4.940 4.347 4.132 4.683 . 0 0 "[ . 1 . 2]" 1
1044 1 42 ASP QB 1 43 SER QB . . 5.040 4.766 3.923 5.084 0.044 20 0 "[ . 1 . 2]" 1
1045 1 43 SER H 1 43 SER QB . . 3.510 2.419 2.195 2.904 . 0 0 "[ . 1 . 2]" 1
1046 1 43 SER QB 1 44 TYR H . . 4.150 2.875 1.774 4.069 . 0 0 "[ . 1 . 2]" 1
1047 1 44 TYR H 1 44 TYR QB . . 3.200 2.493 2.114 2.949 . 0 0 "[ . 1 . 2]" 1
1048 1 44 TYR H 1 45 PRO QD . . 4.480 4.390 4.368 4.408 . 0 0 "[ . 1 . 2]" 1
1049 1 44 TYR QB 1 45 PRO QD . . 3.660 2.236 2.097 2.281 . 0 0 "[ . 1 . 2]" 1
1050 1 44 TYR QD 1 45 PRO QD . . 4.270 3.331 2.490 4.067 . 0 0 "[ . 1 . 2]" 1
1051 1 45 PRO HA 1 46 VAL QG . . 4.760 3.478 3.123 3.941 . 0 0 "[ . 1 . 2]" 1
1052 1 46 VAL H 1 46 VAL QG . . 3.130 2.009 1.737 2.797 . 0 0 "[ . 1 . 2]" 1
1053 1 46 VAL QG 1 47 SER H . . 4.060 2.793 1.918 3.673 . 0 0 "[ . 1 . 2]" 1
1054 1 46 VAL QG 1 48 LYS H . . 5.440 4.317 3.535 5.429 . 0 0 "[ . 1 . 2]" 1
1055 1 47 SER H 1 47 SER QB . . 3.280 2.521 2.274 3.119 . 0 0 "[ . 1 . 2]" 1
1056 1 47 SER QB 1 48 LYS H . . 4.210 3.352 2.496 3.937 . 0 0 "[ . 1 . 2]" 1
1057 1 48 LYS H 1 48 LYS QB . . 3.370 2.633 2.212 3.149 . 0 0 "[ . 1 . 2]" 1
1058 1 48 LYS H 1 48 LYS QG . . 4.160 2.533 1.767 4.110 . 0 0 "[ . 1 . 2]" 1
1059 1 48 LYS QB 1 49 ASN H . . 3.990 2.986 2.279 3.759 . 0 0 "[ . 1 . 2]" 1
1060 1 48 LYS QB 1 50 ASP H . . 5.230 4.443 3.404 5.237 0.007 16 0 "[ . 1 . 2]" 1
1061 1 49 ASN H 1 49 ASN QB . . 3.550 2.850 2.230 3.412 . 0 0 "[ . 1 . 2]" 1
1062 1 50 ASP H 1 51 GLY QA . . 4.790 4.352 3.588 4.746 . 0 0 "[ . 1 . 2]" 1
1063 1 50 ASP QB 1 51 GLY H . . 4.070 3.353 2.257 4.038 . 0 0 "[ . 1 . 2]" 1
1064 1 50 ASP QB 1 52 THR H . . 4.350 3.136 2.406 4.354 0.004 6 0 "[ . 1 . 2]" 1
1065 1 51 GLY QA 1 52 THR HA . . 4.500 4.232 4.016 4.566 0.066 19 0 "[ . 1 . 2]" 1
1066 1 51 GLY QA 1 53 ARG H . . 5.340 4.402 3.014 5.309 . 0 0 "[ . 1 . 2]" 1
1067 1 52 THR HA 1 53 ARG QG . . 5.340 4.205 3.377 5.000 . 0 0 "[ . 1 . 2]" 1
1068 1 53 ARG H 1 53 ARG QB . . 3.390 2.434 2.237 2.971 . 0 0 "[ . 1 . 2]" 1
1069 1 53 ARG H 1 53 ARG QG . . 4.100 2.374 1.668 3.084 . 0 0 "[ . 1 . 2]" 1
1070 1 53 ARG HA 1 54 PRO QG . . 4.740 4.008 3.989 4.122 . 0 0 "[ . 1 . 2]" 1
1071 1 53 ARG QB 1 54 PRO HD2 . . 3.550 2.263 2.033 2.292 . 0 0 "[ . 1 . 2]" 1
1072 1 53 ARG QG 1 54 PRO HD2 . . 3.920 3.374 2.915 4.049 0.129 16 0 "[ . 1 . 2]" 1
1073 1 53 ARG QG 1 54 PRO HD3 . . 4.730 4.052 3.584 4.759 0.029 16 0 "[ . 1 . 2]" 1
1074 1 54 PRO QB 1 55 LYS H . . 3.770 2.329 2.263 2.502 . 0 0 "[ . 1 . 2]" 1
1075 1 54 PRO QG 1 55 LYS H . . 4.400 4.026 3.932 4.277 . 0 0 "[ . 1 . 2]" 1
1076 1 55 LYS H 1 55 LYS QB . . 3.160 2.900 2.478 3.165 0.005 4 0 "[ . 1 . 2]" 1
1077 1 55 LYS H 1 55 LYS QG . . 4.490 3.401 1.802 4.310 . 0 0 "[ . 1 . 2]" 1
1078 1 55 LYS HA 1 56 MET QB . . 5.240 4.367 3.965 4.956 . 0 0 "[ . 1 . 2]" 1
1079 1 55 LYS QB 1 56 MET H . . 3.860 3.455 1.863 3.924 0.064 9 0 "[ . 1 . 2]" 1
1080 1 55 LYS QB 1 56 MET HA . . 4.940 4.564 4.256 4.806 . 0 0 "[ . 1 . 2]" 1
1081 1 55 LYS QG 1 56 MET H . . 4.520 3.351 2.124 4.256 . 0 0 "[ . 1 . 2]" 1
1082 1 55 LYS QG 1 56 MET HA . . 5.340 4.383 3.511 5.390 0.050 7 0 "[ . 1 . 2]" 1
1083 1 56 MET H 1 56 MET QB . . 3.090 2.430 2.141 3.112 0.022 3 0 "[ . 1 . 2]" 1
1084 1 56 MET H 1 56 MET QG . . 4.130 3.270 1.857 4.138 0.008 10 0 "[ . 1 . 2]" 1
1085 1 56 MET HA 1 56 MET QG . . 3.670 2.608 2.303 3.481 . 0 0 "[ . 1 . 2]" 1
1086 1 56 MET QB 1 57 THR H . . 3.590 3.323 2.878 3.600 0.010 15 0 "[ . 1 . 2]" 1
1087 1 56 MET QB 1 61 MET HA . . 5.340 4.301 3.373 5.350 0.010 2 0 "[ . 1 . 2]" 1
1088 1 56 MET ME 1 56 MET QG . . 3.550 2.174 2.115 2.229 . 0 0 "[ . 1 . 2]" 1
1089 1 56 MET QG 1 57 THR H . . 4.360 3.732 1.922 4.246 . 0 0 "[ . 1 . 2]" 1
1090 1 56 MET QG 1 61 MET H . . 4.460 3.973 2.866 4.467 0.007 14 0 "[ . 1 . 2]" 1
1091 1 56 MET QG 1 61 MET HA . . 4.990 4.354 3.469 5.010 0.020 11 0 "[ . 1 . 2]" 1
1092 1 56 MET QG 1 61 MET QB . . 4.040 3.794 2.391 4.051 0.011 17 0 "[ . 1 . 2]" 1
1093 1 57 THR H 1 58 PRO QD . . 4.520 4.400 4.360 4.412 . 0 0 "[ . 1 . 2]" 1
1094 1 57 THR H 1 60 GLN QG . . 4.280 3.057 1.870 4.121 . 0 0 "[ . 1 . 2]" 1
1095 1 57 THR HA 1 58 PRO QG . . 4.300 4.005 3.936 4.046 . 0 0 "[ . 1 . 2]" 1
1096 1 57 THR HA 1 58 PRO QD . . 2.970 2.077 2.010 2.132 . 0 0 "[ . 1 . 2]" 1
1097 1 57 THR HB 1 58 PRO QG . . 4.970 4.167 3.562 4.615 . 0 0 "[ . 1 . 2]" 1
1098 1 57 THR HB 1 58 PRO QD . . 3.080 2.305 2.237 2.690 . 0 0 "[ . 1 . 2]" 1
1099 1 57 THR MG 1 58 PRO QD . . 3.870 3.210 2.265 3.668 . 0 0 "[ . 1 . 2]" 1
1100 1 58 PRO HA 1 61 MET QB . . 4.680 3.857 2.783 4.387 . 0 0 "[ . 1 . 2]" 1
1101 1 58 PRO QB 1 59 GLU H . . 3.630 2.549 2.298 3.136 . 0 0 "[ . 1 . 2]" 1
1102 1 58 PRO QB 1 62 ALA H . . 5.340 4.754 4.561 4.894 . 0 0 "[ . 1 . 2]" 1
1103 1 58 PRO QG 1 59 GLU H . . 4.980 3.667 2.411 3.886 . 0 0 "[ . 1 . 2]" 1
1104 1 58 PRO QD 1 59 GLU H . . 3.630 3.157 2.712 3.235 . 0 0 "[ . 1 . 2]" 1
1105 1 59 GLU H 1 59 GLU QG . . 4.330 3.943 3.907 4.052 . 0 0 "[ . 1 . 2]" 1
1106 1 59 GLU HA 1 59 GLU QG . . 3.510 2.320 2.252 2.629 . 0 0 "[ . 1 . 2]" 1
1107 1 59 GLU QG 1 62 ALA H . . 5.340 5.082 4.668 5.315 . 0 0 "[ . 1 . 2]" 1
1108 1 59 GLU QG 1 62 ALA MB . . 4.720 3.682 3.364 3.922 . 0 0 "[ . 1 . 2]" 1
1109 1 60 GLN H 1 60 GLN QG . . 3.540 2.423 2.065 3.566 0.026 18 0 "[ . 1 . 2]" 1
1110 1 60 GLN HA 1 60 GLN QG . . 3.450 2.350 2.223 2.806 . 0 0 "[ . 1 . 2]" 1
1111 1 60 GLN HA 1 60 GLN QE . . 4.840 3.829 2.973 4.092 . 0 0 "[ . 1 . 2]" 1
1112 1 60 GLN HA 1 63 LYS QB . . 4.000 3.037 2.805 3.288 . 0 0 "[ . 1 . 2]" 1
1113 1 61 MET H 1 61 MET QB . . 3.360 2.514 2.374 2.696 . 0 0 "[ . 1 . 2]" 1
1114 1 61 MET HA 1 65 MET QG . . 5.340 3.872 3.286 4.804 . 0 0 "[ . 1 . 2]" 1
1115 1 61 MET QB 1 62 ALA H . . 3.880 3.068 2.140 3.519 . 0 0 "[ . 1 . 2]" 1
1116 1 62 ALA H 1 63 LYS QB . . 5.060 4.566 4.383 4.818 . 0 0 "[ . 1 . 2]" 1
1117 1 62 ALA H 1 65 MET QG . . 5.040 4.873 4.436 5.050 0.010 9 0 "[ . 1 . 2]" 1
1118 1 62 ALA HA 1 65 MET QB . . 4.100 3.028 2.643 4.109 0.009 15 0 "[ . 1 . 2]" 1
1119 1 62 ALA HA 1 65 MET QG . . 4.620 3.626 2.318 4.302 . 0 0 "[ . 1 . 2]" 1
1120 1 63 LYS H 1 63 LYS QB . . 2.980 2.249 2.195 2.382 . 0 0 "[ . 1 . 2]" 1
1121 1 63 LYS H 1 63 LYS QG . . 4.650 3.677 2.219 4.053 . 0 0 "[ . 1 . 2]" 1
1122 1 63 LYS H 1 64 GLU QB . . 5.340 4.664 4.498 4.829 . 0 0 "[ . 1 . 2]" 1
1123 1 63 LYS H 1 64 GLU QG . . 5.340 4.505 4.154 4.767 . 0 0 "[ . 1 . 2]" 1
1124 1 63 LYS HA 1 63 LYS QD . . 4.570 3.173 2.166 4.148 . 0 0 "[ . 1 . 2]" 1
1125 1 63 LYS QB 1 64 GLU H . . 3.550 2.358 2.022 2.773 . 0 0 "[ . 1 . 2]" 1
1126 1 63 LYS QG 1 64 GLU H . . 4.460 3.688 3.263 4.283 . 0 0 "[ . 1 . 2]" 1
1127 1 64 GLU H 1 64 GLU QB . . 3.130 2.396 2.316 2.479 . 0 0 "[ . 1 . 2]" 1
1128 1 64 GLU HA 1 64 GLU QG . . 3.560 2.537 2.257 2.820 . 0 0 "[ . 1 . 2]" 1
1129 1 64 GLU QB 1 65 MET H . . 3.690 2.326 2.223 2.483 . 0 0 "[ . 1 . 2]" 1
1130 1 64 GLU QG 1 65 MET H . . 4.880 4.035 3.920 4.122 . 0 0 "[ . 1 . 2]" 1
1131 1 65 MET H 1 65 MET QB . . 2.950 2.350 2.300 2.433 . 0 0 "[ . 1 . 2]" 1
1132 1 65 MET H 1 65 MET QG . . 3.760 2.391 2.114 3.298 . 0 0 "[ . 1 . 2]" 1
1133 1 65 MET H 1 66 SER QB . . 5.040 4.709 4.450 4.930 . 0 0 "[ . 1 . 2]" 1
1134 1 65 MET QB 1 66 SER H . . 4.100 2.443 2.133 3.364 . 0 0 "[ . 1 . 2]" 1
1135 1 65 MET QB 1 66 SER HA . . 4.710 3.893 3.766 4.482 . 0 0 "[ . 1 . 2]" 1
1136 1 65 MET ME 1 65 MET QG . . 3.190 2.159 2.123 2.210 . 0 0 "[ . 1 . 2]" 1
1137 1 65 MET QG 1 66 SER H . . 4.720 3.735 1.743 4.433 . 0 0 "[ . 1 . 2]" 1
1138 1 65 MET QG 1 69 LEU MD2 . . 5.340 4.859 4.298 5.332 . 0 0 "[ . 1 . 2]" 1
1139 1 66 SER H 1 66 SER QB . . 3.140 2.346 2.212 2.692 . 0 0 "[ . 1 . 2]" 1
1140 1 66 SER H 1 67 GLU QB . . 4.670 4.597 4.450 4.679 0.009 3 0 "[ . 1 . 2]" 1
1141 1 66 SER QB 1 67 GLU H . . 3.640 2.778 2.306 3.442 . 0 0 "[ . 1 . 2]" 1
1142 1 66 SER QB 1 67 GLU QB . . 5.160 4.127 3.725 4.639 . 0 0 "[ . 1 . 2]" 1
1143 1 66 SER QB 1 69 LEU MD1 . . 4.970 4.437 3.781 4.903 . 0 0 "[ . 1 . 2]" 1
1144 1 67 GLU H 1 67 GLU QB . . 2.950 2.273 2.215 2.343 . 0 0 "[ . 1 . 2]" 1
1145 1 67 GLU H 1 67 GLU QG . . 4.010 3.657 2.299 4.041 0.031 2 0 "[ . 1 . 2]" 1
1146 1 67 GLU HA 1 67 GLU QG . . 3.450 2.376 2.262 2.642 . 0 0 "[ . 1 . 2]" 1
1147 1 67 GLU QB 1 68 PHE H . . 3.330 2.719 2.429 2.970 . 0 0 "[ . 1 . 2]" 1
1148 1 67 GLU QG 1 68 PHE H . . 4.680 4.036 3.688 4.665 . 0 0 "[ . 1 . 2]" 1
1149 1 68 PHE QB 1 69 LEU H . . 3.550 2.264 1.999 2.746 . 0 0 "[ . 1 . 2]" 1
1150 1 68 PHE QB 1 69 LEU HA . . 4.780 3.971 3.842 4.091 . 0 0 "[ . 1 . 2]" 1
1151 1 68 PHE QB 1 69 LEU HB2 . . 5.340 4.603 4.451 4.799 . 0 0 "[ . 1 . 2]" 1
1152 1 71 ARG H 1 71 ARG QB . . 3.240 2.529 2.251 2.881 . 0 0 "[ . 1 . 2]" 1
1153 1 71 ARG H 1 71 ARG QG . . 4.460 2.881 1.908 4.290 . 0 0 "[ . 1 . 2]" 1
1154 1 71 ARG H 1 71 ARG QD . . 4.960 3.964 1.796 4.967 0.007 8 0 "[ . 1 . 2]" 1
1155 1 72 GLY QA 1 73 PRO QD . . 3.100 2.139 2.033 2.248 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 248
_Distance_constraint_stats_list.Viol_total 47.460
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0048
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0096
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 1 GLN 0.249 0.040 16 0 "[ . 1 . 2]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.216 0.018 3 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 VAL 0.290 0.040 16 0 "[ . 1 . 2]"
1 6 LEU 0.046 0.023 16 0 "[ . 1 . 2]"
1 7 GLU 0.367 0.039 16 0 "[ . 1 . 2]"
1 8 GLN 0.006 0.006 16 0 "[ . 1 . 2]"
1 9 GLU 0.120 0.027 16 0 "[ . 1 . 2]"
1 10 ARG 0.066 0.023 16 0 "[ . 1 . 2]"
1 11 ARG 0.193 0.039 16 0 "[ . 1 . 2]"
1 12 ASP 0.070 0.019 3 0 "[ . 1 . 2]"
1 13 ARG 0.109 0.027 16 0 "[ . 1 . 2]"
1 14 GLU 0.098 0.014 20 0 "[ . 1 . 2]"
1 15 LEU 0.049 0.010 3 0 "[ . 1 . 2]"
1 16 ALA 0.235 0.019 3 0 "[ . 1 . 2]"
1 17 LEU 0.057 0.021 10 0 "[ . 1 . 2]"
1 18 ARG 0.390 0.040 2 0 "[ . 1 . 2]"
1 19 ILE 0.006 0.006 14 0 "[ . 1 . 2]"
1 20 ALA 0.450 0.021 1 0 "[ . 1 . 2]"
1 21 GLN 0.223 0.019 16 0 "[ . 1 . 2]"
1 22 SER 0.313 0.040 2 0 "[ . 1 . 2]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ALA 0.280 0.021 1 0 "[ . 1 . 2]"
1 25 GLU 0.195 0.019 16 0 "[ . 1 . 2]"
1 29 ASP 0.072 0.018 2 0 "[ . 1 . 2]"
1 30 GLU 0.016 0.007 16 0 "[ . 1 . 2]"
1 31 ALA 0.011 0.007 20 0 "[ . 1 . 2]"
1 32 GLN 0.035 0.010 13 0 "[ . 1 . 2]"
1 33 ALA 0.076 0.018 2 0 "[ . 1 . 2]"
1 34 ASP 0.047 0.015 16 0 "[ . 1 . 2]"
1 35 LEU 0.042 0.021 4 0 "[ . 1 . 2]"
1 36 ALA 0.035 0.010 13 0 "[ . 1 . 2]"
1 37 LEU 0.004 0.004 1 0 "[ . 1 . 2]"
1 38 ARG 0.031 0.015 16 0 "[ . 1 . 2]"
1 39 ARG 0.031 0.021 4 0 "[ . 1 . 2]"
1 58 PRO 0.063 0.012 18 0 "[ . 1 . 2]"
1 59 GLU 0.009 0.004 11 0 "[ . 1 . 2]"
1 60 GLN 0.003 0.003 6 0 "[ . 1 . 2]"
1 61 MET 0.012 0.004 7 0 "[ . 1 . 2]"
1 62 ALA 0.091 0.014 14 0 "[ . 1 . 2]"
1 63 LYS 0.051 0.012 16 0 "[ . 1 . 2]"
1 64 GLU 0.005 0.003 6 0 "[ . 1 . 2]"
1 65 MET 0.012 0.004 7 0 "[ . 1 . 2]"
1 66 SER 0.028 0.014 14 0 "[ . 1 . 2]"
1 67 GLU 0.042 0.012 16 0 "[ . 1 . 2]"
1 68 PHE 0.002 0.001 15 0 "[ . 1 . 2]"
1 69 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLN O 1 5 VAL H . . 2.000 2.007 1.960 2.040 0.040 16 0 "[ . 1 . 2]" 2
2 1 1 GLN O 1 5 VAL N . . 3.000 2.928 2.868 2.985 . 0 0 "[ . 1 . 2]" 2
3 1 2 GLN O 1 6 LEU H . . 2.000 1.643 1.604 1.685 . 0 0 "[ . 1 . 2]" 2
4 1 2 GLN O 1 6 LEU N . . 3.000 2.563 2.523 2.616 . 0 0 "[ . 1 . 2]" 2
5 1 3 GLN O 1 7 GLU H . . 2.000 2.011 2.005 2.018 0.018 3 0 "[ . 1 . 2]" 2
6 1 3 GLN O 1 7 GLU N . . 3.000 2.926 2.891 2.974 . 0 0 "[ . 1 . 2]" 2
7 1 4 ALA O 1 8 GLN H . . 2.000 1.911 1.832 1.979 . 0 0 "[ . 1 . 2]" 2
8 1 4 ALA O 1 8 GLN N . . 3.000 2.830 2.728 2.923 . 0 0 "[ . 1 . 2]" 2
9 1 5 VAL O 1 9 GLU H . . 2.000 1.906 1.660 2.010 0.010 9 0 "[ . 1 . 2]" 2
10 1 5 VAL O 1 9 GLU N . . 3.000 2.802 2.614 2.907 . 0 0 "[ . 1 . 2]" 2
11 1 6 LEU O 1 10 ARG H . . 2.000 1.939 1.780 2.023 0.023 16 0 "[ . 1 . 2]" 2
12 1 6 LEU O 1 10 ARG N . . 3.000 2.906 2.756 2.991 . 0 0 "[ . 1 . 2]" 2
13 1 7 GLU O 1 11 ARG H . . 2.000 1.994 1.902 2.039 0.039 16 0 "[ . 1 . 2]" 2
14 1 7 GLU O 1 11 ARG N . . 3.000 2.930 2.877 2.977 . 0 0 "[ . 1 . 2]" 2
15 1 8 GLN O 1 12 ASP H . . 2.000 1.880 1.702 2.006 0.006 16 0 "[ . 1 . 2]" 2
16 1 8 GLN O 1 12 ASP N . . 3.000 2.802 2.624 2.920 . 0 0 "[ . 1 . 2]" 2
17 1 9 GLU O 1 13 ARG H . . 2.000 1.938 1.756 2.027 0.027 16 0 "[ . 1 . 2]" 2
18 1 9 GLU O 1 13 ARG N . . 3.000 2.896 2.729 2.982 . 0 0 "[ . 1 . 2]" 2
19 1 10 ARG O 1 14 GLU H . . 2.000 1.948 1.695 2.010 0.010 19 0 "[ . 1 . 2]" 2
20 1 10 ARG O 1 14 GLU N . . 3.000 2.909 2.672 2.976 . 0 0 "[ . 1 . 2]" 2
21 1 11 ARG O 1 15 LEU H . . 2.000 1.936 1.687 2.010 0.010 3 0 "[ . 1 . 2]" 2
22 1 11 ARG O 1 15 LEU N . . 3.000 2.867 2.599 2.977 . 0 0 "[ . 1 . 2]" 2
23 1 12 ASP O 1 16 ALA H . . 2.000 1.987 1.861 2.019 0.019 3 0 "[ . 1 . 2]" 2
24 1 12 ASP O 1 16 ALA N . . 3.000 2.871 2.692 2.969 . 0 0 "[ . 1 . 2]" 2
25 1 13 ARG O 1 17 LEU H . . 2.000 1.856 1.656 2.021 0.021 10 0 "[ . 1 . 2]" 2
26 1 13 ARG O 1 17 LEU N . . 3.000 2.725 2.541 2.879 . 0 0 "[ . 1 . 2]" 2
27 1 14 GLU O 1 18 ARG H . . 2.000 1.968 1.774 2.014 0.014 20 0 "[ . 1 . 2]" 2
28 1 14 GLU O 1 18 ARG N . . 3.000 2.880 2.675 2.965 . 0 0 "[ . 1 . 2]" 2
29 1 15 LEU O 1 19 ILE H . . 2.000 1.905 1.693 2.006 0.006 14 0 "[ . 1 . 2]" 2
30 1 15 LEU O 1 19 ILE N . . 3.000 2.845 2.646 2.930 . 0 0 "[ . 1 . 2]" 2
31 1 16 ALA O 1 20 ALA H . . 2.000 2.008 1.994 2.016 0.016 11 0 "[ . 1 . 2]" 2
32 1 16 ALA O 1 20 ALA N . . 3.000 2.905 2.788 2.960 . 0 0 "[ . 1 . 2]" 2
33 1 17 LEU O 1 21 GLN H . . 2.000 1.899 1.687 2.009 0.009 18 0 "[ . 1 . 2]" 2
34 1 17 LEU O 1 21 GLN N . . 3.000 2.844 2.632 2.977 . 0 0 "[ . 1 . 2]" 2
35 1 18 ARG O 1 22 SER H . . 2.000 1.995 1.750 2.040 0.040 2 0 "[ . 1 . 2]" 2
36 1 18 ARG O 1 22 SER N . . 3.000 2.770 2.600 2.870 . 0 0 "[ . 1 . 2]" 2
37 1 19 ILE O 1 23 GLU H . . 2.000 1.835 1.668 1.989 . 0 0 "[ . 1 . 2]" 2
38 1 19 ILE O 1 23 GLU N . . 3.000 2.772 2.608 2.933 . 0 0 "[ . 1 . 2]" 2
39 1 20 ALA O 1 24 ALA H . . 2.000 2.014 2.005 2.021 0.021 1 0 "[ . 1 . 2]" 2
40 1 20 ALA O 1 24 ALA N . . 3.000 2.861 2.743 2.935 . 0 0 "[ . 1 . 2]" 2
41 1 21 GLN O 1 25 GLU H . . 2.000 2.010 1.998 2.019 0.019 16 0 "[ . 1 . 2]" 2
42 1 21 GLN O 1 25 GLU N . . 3.000 2.867 2.811 2.920 . 0 0 "[ . 1 . 2]" 2
43 1 29 ASP O 1 33 ALA H . . 2.000 1.950 1.785 2.018 0.018 2 0 "[ . 1 . 2]" 2
44 1 29 ASP O 1 33 ALA N . . 3.000 2.909 2.724 2.990 . 0 0 "[ . 1 . 2]" 2
45 1 30 GLU O 1 34 ASP H . . 2.000 1.908 1.676 2.007 0.007 16 0 "[ . 1 . 2]" 2
46 1 30 GLU O 1 34 ASP N . . 3.000 2.847 2.610 2.981 . 0 0 "[ . 1 . 2]" 2
47 1 31 ALA O 1 35 LEU H . . 2.000 1.912 1.723 2.007 0.007 20 0 "[ . 1 . 2]" 2
48 1 31 ALA O 1 35 LEU N . . 3.000 2.846 2.693 2.960 . 0 0 "[ . 1 . 2]" 2
49 1 32 GLN O 1 36 ALA H . . 2.000 1.945 1.800 2.010 0.010 13 0 "[ . 1 . 2]" 2
50 1 32 GLN O 1 36 ALA N . . 3.000 2.857 2.728 2.971 . 0 0 "[ . 1 . 2]" 2
51 1 33 ALA O 1 37 LEU H . . 2.000 1.875 1.689 2.004 0.004 1 0 "[ . 1 . 2]" 2
52 1 33 ALA O 1 37 LEU N . . 3.000 2.800 2.635 2.960 . 0 0 "[ . 1 . 2]" 2
53 1 34 ASP O 1 38 ARG H . . 2.000 1.848 1.636 2.015 0.015 16 0 "[ . 1 . 2]" 2
54 1 34 ASP O 1 38 ARG N . . 3.000 2.707 2.436 2.937 . 0 0 "[ . 1 . 2]" 2
55 1 35 LEU O 1 39 ARG H . . 2.000 1.834 1.658 2.021 0.021 4 0 "[ . 1 . 2]" 2
56 1 35 LEU O 1 39 ARG N . . 3.000 2.726 2.535 2.936 . 0 0 "[ . 1 . 2]" 2
57 1 58 PRO O 1 62 ALA H . . 2.000 1.958 1.678 2.012 0.012 18 0 "[ . 1 . 2]" 2
58 1 58 PRO O 1 62 ALA N . . 3.000 2.829 2.561 2.952 . 0 0 "[ . 1 . 2]" 2
59 1 59 GLU O 1 63 LYS H . . 2.000 1.842 1.631 2.004 0.004 11 0 "[ . 1 . 2]" 2
60 1 59 GLU O 1 63 LYS N . . 3.000 2.791 2.591 2.969 . 0 0 "[ . 1 . 2]" 2
61 1 60 GLN O 1 64 GLU H . . 2.000 1.864 1.659 2.003 0.003 6 0 "[ . 1 . 2]" 2
62 1 60 GLN O 1 64 GLU N . . 3.000 2.816 2.594 2.967 . 0 0 "[ . 1 . 2]" 2
63 1 61 MET O 1 65 MET H . . 2.000 1.867 1.669 2.004 0.004 7 0 "[ . 1 . 2]" 2
64 1 61 MET O 1 65 MET N . . 3.000 2.818 2.620 2.954 . 0 0 "[ . 1 . 2]" 2
65 1 62 ALA O 1 66 SER H . . 2.000 1.910 1.683 2.014 0.014 14 0 "[ . 1 . 2]" 2
66 1 62 ALA O 1 66 SER N . . 3.000 2.853 2.576 2.991 . 0 0 "[ . 1 . 2]" 2
67 1 63 LYS O 1 67 GLU H . . 2.000 1.908 1.711 2.012 0.012 16 0 "[ . 1 . 2]" 2
68 1 63 LYS O 1 67 GLU N . . 3.000 2.788 2.585 2.960 . 0 0 "[ . 1 . 2]" 2
69 1 64 GLU O 1 68 PHE H . . 2.000 1.834 1.672 2.001 0.001 15 0 "[ . 1 . 2]" 2
70 1 64 GLU O 1 68 PHE N . . 3.000 2.669 2.445 2.865 . 0 0 "[ . 1 . 2]" 2
71 1 65 MET O 1 69 LEU H . . 2.000 1.753 1.662 1.907 . 0 0 "[ . 1 . 2]" 2
72 1 65 MET O 1 69 LEU N . . 3.000 2.694 2.598 2.869 . 0 0 "[ . 1 . 2]" 2
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