NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569293 |
2m8r   |
19266 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m8r
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 994
_Distance_constraint_stats_list.Viol_count 1609
_Distance_constraint_stats_list.Viol_total 3095.949
_Distance_constraint_stats_list.Viol_max 0.497
_Distance_constraint_stats_list.Viol_rms 0.0339
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0962
_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 3 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 MET 0.495 0.125 2 0 "[ . 1 . 2]"
1 5 ASP 2.656 0.410 15 0 "[ . 1 . 2]"
1 6 SER 4.132 0.410 15 0 "[ . 1 . 2]"
1 7 SER 4.814 0.357 4 0 "[ . 1 . 2]"
1 8 ILE 3.547 0.325 12 0 "[ . 1 . 2]"
1 9 SER 0.563 0.218 6 0 "[ . 1 . 2]"
1 10 LYS 0.192 0.184 20 0 "[ . 1 . 2]"
1 11 GLN 1.387 0.236 10 0 "[ . 1 . 2]"
1 12 ALA 4.192 0.236 10 0 "[ . 1 . 2]"
1 13 LEU 1.477 0.215 18 0 "[ . 1 . 2]"
1 14 SER 2.676 0.275 8 0 "[ . 1 . 2]"
1 15 GLU 5.725 0.497 8 0 "[ . 1 . 2]"
1 16 ILE 2.894 0.497 8 0 "[ . 1 . 2]"
1 17 GLU 4.521 0.273 9 0 "[ . 1 . 2]"
1 18 THR 8.949 0.273 9 0 "[ . 1 . 2]"
1 19 ARG 2.800 0.245 9 0 "[ . 1 . 2]"
1 20 HIS 0.033 0.017 13 0 "[ . 1 . 2]"
1 21 SER 0.314 0.088 4 0 "[ . 1 . 2]"
1 22 GLU 0.394 0.071 16 0 "[ . 1 . 2]"
1 23 ILE 2.422 0.249 16 0 "[ . 1 . 2]"
1 24 ILE 8.661 0.249 16 0 "[ . 1 . 2]"
1 25 LYS 6.844 0.233 10 0 "[ . 1 . 2]"
1 26 LEU 2.609 0.179 16 0 "[ . 1 . 2]"
1 27 GLU 3.821 0.352 16 0 "[ . 1 . 2]"
1 28 ASN 0.287 0.067 16 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 3.126 0.205 5 0 "[ . 1 . 2]"
1 32 GLU 6.858 0.205 5 0 "[ . 1 . 2]"
1 33 LEU 0.011 0.011 11 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 MET 3.009 0.172 12 0 "[ . 1 . 2]"
1 37 PHE 1.477 0.096 5 0 "[ . 1 . 2]"
1 38 MET 0.210 0.102 20 0 "[ . 1 . 2]"
1 39 ASP 6.391 0.249 10 0 "[ . 1 . 2]"
1 40 MET 9.035 0.249 10 0 "[ . 1 . 2]"
1 41 ALA 9.412 0.148 6 0 "[ . 1 . 2]"
1 42 MET 5.099 0.142 19 0 "[ . 1 . 2]"
1 43 LEU 0.146 0.046 12 0 "[ . 1 . 2]"
1 44 VAL 2.250 0.148 6 0 "[ . 1 . 2]"
1 45 GLU 5.081 0.246 5 0 "[ . 1 . 2]"
1 46 SER 6.681 0.246 5 0 "[ . 1 . 2]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLY 4.426 0.271 14 0 "[ . 1 . 2]"
1 49 GLU 5.887 0.271 14 0 "[ . 1 . 2]"
1 50 MET 4.651 0.248 14 0 "[ . 1 . 2]"
1 51 ILE 4.979 0.248 14 0 "[ . 1 . 2]"
1 52 ASP 5.260 0.233 8 0 "[ . 1 . 2]"
1 53 ARG 5.247 0.233 8 0 "[ . 1 . 2]"
1 54 ILE 7.299 0.178 15 0 "[ . 1 . 2]"
1 55 GLU 6.752 0.178 15 0 "[ . 1 . 2]"
1 56 TYR 0.516 0.081 8 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 0.124 0.094 9 0 "[ . 1 . 2]"
1 59 GLU 0.209 0.087 4 0 "[ . 1 . 2]"
1 60 HIS 0.100 0.062 1 0 "[ . 1 . 2]"
1 61 ALA 0.257 0.094 9 0 "[ . 1 . 2]"
1 62 VAL 0.675 0.087 4 0 "[ . 1 . 2]"
1 63 ASP 0.057 0.044 1 0 "[ . 1 . 2]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 VAL 0.285 0.043 12 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.327 0.154 19 0 "[ . 1 . 2]"
1 68 ALA 0.238 0.154 19 0 "[ . 1 . 2]"
1 69 VAL 0.150 0.056 19 0 "[ . 1 . 2]"
1 70 SER 0.086 0.037 10 0 "[ . 1 . 2]"
1 71 ASP 0.042 0.023 5 0 "[ . 1 . 2]"
1 72 THR 0.126 0.051 10 0 "[ . 1 . 2]"
1 73 LYS 0.309 0.220 17 0 "[ . 1 . 2]"
1 74 LYS 1.515 0.127 3 0 "[ . 1 . 2]"
1 75 ALA 3.371 0.146 13 0 "[ . 1 . 2]"
1 76 VAL 2.822 0.240 18 0 "[ . 1 . 2]"
1 77 LYS 3.356 0.240 18 0 "[ . 1 . 2]"
1 78 TYR 2.514 0.342 12 0 "[ . 1 . 2]"
1 79 GLN 0.765 0.190 10 0 "[ . 1 . 2]"
1 80 SER 0.400 0.152 9 0 "[ . 1 . 2]"
1 81 LYS 0.282 0.169 18 0 "[ . 1 . 2]"
1 82 ALA 0.352 0.169 18 0 "[ . 1 . 2]"
1 83 ARG 0.227 0.152 9 0 "[ . 1 . 2]"
1 84 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LYS 0.502 0.098 19 0 "[ . 1 . 2]"
1 86 LYS 0.864 0.224 15 0 "[ . 1 . 2]"
1 87 ILE 3.872 0.302 19 0 "[ . 1 . 2]"
1 88 MET 2.779 0.319 19 0 "[ . 1 . 2]"
1 89 ILE 1.195 0.107 19 0 "[ . 1 . 2]"
1 90 ILE 2.536 0.129 3 0 "[ . 1 . 2]"
1 91 ILE 6.978 0.319 19 0 "[ . 1 . 2]"
1 92 CYS 0.398 0.096 13 0 "[ . 1 . 2]"
1 93 CYS 1.113 0.095 13 0 "[ . 1 . 2]"
1 94 VAL 0.181 0.085 12 0 "[ . 1 . 2]"
1 95 ILE 0.888 0.085 12 0 "[ . 1 . 2]"
1 96 LEU 1.909 0.231 16 0 "[ . 1 . 2]"
1 97 GLY 2.521 0.231 16 0 "[ . 1 . 2]"
1 98 ILE 1.033 0.144 17 0 "[ . 1 . 2]"
1 99 ILE 3.551 0.223 17 0 "[ . 1 . 2]"
1 100 ILE 0.168 0.018 17 0 "[ . 1 . 2]"
1 101 ALA 0.394 0.078 12 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 THR 0.598 0.078 12 0 "[ . 1 . 2]"
1 104 ILE 2.359 0.106 18 0 "[ . 1 . 2]"
1 105 GLY 0.592 0.055 5 0 "[ . 1 . 2]"
1 106 GLY 1.544 0.190 2 0 "[ . 1 . 2]"
1 107 ILE 5.999 0.190 2 0 "[ . 1 . 2]"
1 108 PHE 0.237 0.030 10 0 "[ . 1 . 2]"
1 109 GLY 0.585 0.070 11 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 3 HIS HA 1 3 HIS QB 2.250 . 2.700 2.359 2.173 2.539 . 0 0 "[ . 1 . 2]" 1
2 1 4 MET H 1 4 MET QB 2.550 . 3.300 2.978 2.205 3.351 0.051 4 0 "[ . 1 . 2]" 1
3 1 4 MET HA 1 4 MET QB 2.550 . 3.300 2.393 2.166 2.539 . 0 0 "[ . 1 . 2]" 1
4 1 4 MET HA 1 4 MET QG 3.400 . 5.000 2.530 2.137 3.396 . 0 0 "[ . 1 . 2]" 1
5 1 4 MET HA 1 5 ASP H 2.250 . 2.700 2.418 2.140 2.764 0.064 4 0 "[ . 1 . 2]" 1
6 1 4 MET QB 1 5 ASP H 2.550 . 3.300 2.739 1.862 3.425 0.125 2 0 "[ . 1 . 2]" 1
7 1 5 ASP H 1 5 ASP QB 2.250 . 2.700 2.717 2.084 2.969 0.269 9 0 "[ . 1 . 2]" 1
8 1 5 ASP HA 1 5 ASP QB 2.250 . 2.700 2.402 2.178 2.535 . 0 0 "[ . 1 . 2]" 1
9 1 5 ASP QB 1 6 SER H 2.550 . 3.300 2.591 1.806 3.710 0.410 15 0 "[ . 1 . 2]" 1
10 1 5 ASP QB 1 7 SER H 3.900 . 6.000 4.058 2.088 5.603 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER H 1 6 SER HA 2.250 . 2.700 2.639 2.291 2.866 0.166 14 0 "[ . 1 . 2]" 1
12 1 6 SER H 1 6 SER QB 2.250 . 2.700 2.659 2.201 2.966 0.266 1 0 "[ . 1 . 2]" 1
13 1 6 SER H 1 7 SER H 2.550 . 3.300 2.900 1.758 3.366 0.066 19 0 "[ . 1 . 2]" 1
14 1 6 SER HA 1 6 SER QB 2.250 . 2.700 2.422 2.173 2.536 . 0 0 "[ . 1 . 2]" 1
15 1 7 SER H 1 7 SER HA 2.250 . 2.700 2.717 2.295 2.866 0.166 5 0 "[ . 1 . 2]" 1
16 1 7 SER H 1 7 SER QB 2.250 . 2.700 2.661 2.145 3.057 0.357 4 0 "[ . 1 . 2]" 1
17 1 7 SER H 1 8 ILE HG12 3.900 . 6.000 5.224 2.519 6.116 0.116 13 0 "[ . 1 . 2]" 1
18 1 7 SER HA 1 7 SER QB 2.250 . 2.700 2.324 2.157 2.516 . 0 0 "[ . 1 . 2]" 1
19 1 7 SER HA 1 8 ILE HB 3.900 . 6.000 5.492 4.317 6.098 0.098 11 0 "[ . 1 . 2]" 1
20 1 8 ILE H 1 8 ILE MD 2.800 . 3.800 3.674 3.368 4.125 0.325 12 0 "[ . 1 . 2]" 1
21 1 8 ILE H 1 8 ILE HG12 2.550 . 3.300 3.029 2.177 3.336 0.036 5 0 "[ . 1 . 2]" 1
22 1 8 ILE H 1 8 ILE HG13 2.550 . 3.300 2.120 1.802 3.057 . 0 0 "[ . 1 . 2]" 1
23 1 8 ILE HA 1 8 ILE HB 2.550 . 3.300 2.913 2.498 3.029 . 0 0 "[ . 1 . 2]" 1
24 1 8 ILE HA 1 8 ILE HG12 3.400 . 5.000 2.881 2.397 3.992 . 0 0 "[ . 1 . 2]" 1
25 1 8 ILE HA 1 8 ILE HG13 2.550 . 3.300 3.274 2.871 3.574 0.274 14 0 "[ . 1 . 2]" 1
26 1 8 ILE HA 1 8 ILE MG 2.500 . 3.200 2.259 2.114 2.388 . 0 0 "[ . 1 . 2]" 1
27 1 8 ILE HB 1 8 ILE HG12 2.550 . 3.300 3.009 2.895 3.038 . 0 0 "[ . 1 . 2]" 1
28 1 8 ILE HB 1 8 ILE HG13 2.550 . 3.300 2.521 2.323 2.812 . 0 0 "[ . 1 . 2]" 1
29 1 8 ILE MG 1 9 SER H 2.800 . 3.800 3.031 1.771 3.887 0.087 10 0 "[ . 1 . 2]" 1
30 1 8 ILE MG 1 10 LYS H 3.650 . 5.500 4.204 2.060 5.684 0.184 20 0 "[ . 1 . 2]" 1
31 1 9 SER H 1 9 SER QB 2.550 . 3.300 2.874 2.087 3.518 0.218 6 0 "[ . 1 . 2]" 1
32 1 9 SER HA 1 9 SER QB 2.250 . 2.700 2.297 2.163 2.517 . 0 0 "[ . 1 . 2]" 1
33 1 9 SER HA 1 10 LYS QB 3.900 . 6.000 4.690 4.242 5.402 . 0 0 "[ . 1 . 2]" 1
34 1 9 SER HA 1 12 ALA MB 3.650 . 5.500 3.772 2.072 5.211 . 0 0 "[ . 1 . 2]" 1
35 1 9 SER QB 1 12 ALA H 3.400 . 5.000 3.939 2.447 5.108 0.108 6 0 "[ . 1 . 2]" 1
36 1 9 SER QB 1 12 ALA MB 3.650 . 5.500 3.100 2.208 4.270 . 0 0 "[ . 1 . 2]" 1
37 1 10 LYS H 1 10 LYS QB 2.250 . 2.700 2.314 2.057 2.708 0.008 2 0 "[ . 1 . 2]" 1
38 1 10 LYS QB 1 10 LYS QD 2.250 . 2.700 2.184 2.100 2.301 . 0 0 "[ . 1 . 2]" 1
39 1 10 LYS QE 1 10 LYS QG 2.250 . 2.700 2.229 2.099 2.438 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLN H 1 11 GLN QB 2.250 . 2.700 2.464 2.284 2.803 0.103 8 0 "[ . 1 . 2]" 1
41 1 11 GLN H 1 11 GLN QE 3.900 . 6.000 4.660 3.703 5.236 . 0 0 "[ . 1 . 2]" 1
42 1 11 GLN H 1 11 GLN QG 2.250 . 2.700 2.224 1.789 2.633 0.011 8 0 "[ . 1 . 2]" 1
43 1 11 GLN HA 1 11 GLN QB 2.250 . 2.700 2.377 2.161 2.483 . 0 0 "[ . 1 . 2]" 1
44 1 11 GLN HA 1 11 GLN QG 2.550 . 3.300 2.449 2.212 3.195 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLN QB 1 11 GLN QE 3.400 . 5.000 3.047 2.110 3.678 . 0 0 "[ . 1 . 2]" 1
46 1 11 GLN QB 1 11 GLN QG 2.250 . 2.700 2.072 2.043 2.106 . 0 0 "[ . 1 . 2]" 1
47 1 11 GLN QB 1 12 ALA H 2.250 . 2.700 2.390 1.980 2.936 0.236 10 0 "[ . 1 . 2]" 1
48 1 11 GLN QE 1 11 GLN QG 2.250 . 2.700 2.274 2.179 2.529 . 0 0 "[ . 1 . 2]" 1
49 1 11 GLN QG 1 12 ALA H 3.400 . 5.000 3.865 1.793 4.294 0.007 8 0 "[ . 1 . 2]" 1
50 1 11 GLN QG 1 14 SER QB 3.900 . 6.000 4.681 3.974 5.458 . 0 0 "[ . 1 . 2]" 1
51 1 12 ALA H 1 12 ALA HA 2.250 . 2.700 2.819 2.775 2.897 0.197 19 0 "[ . 1 . 2]" 1
52 1 12 ALA H 1 12 ALA MB 2.500 . 3.200 2.152 2.046 2.232 . 0 0 "[ . 1 . 2]" 1
53 1 12 ALA H 1 13 LEU H 2.250 . 2.700 2.707 2.647 2.829 0.129 10 0 "[ . 1 . 2]" 1
54 1 12 ALA H 1 13 LEU QB 3.400 . 5.000 4.462 4.372 4.843 . 0 0 "[ . 1 . 2]" 1
55 1 12 ALA H 1 13 LEU QD 3.650 . 5.500 4.843 3.784 5.314 . 0 0 "[ . 1 . 2]" 1
56 1 12 ALA HA 1 13 LEU QB 3.900 . 6.000 5.259 5.171 5.492 . 0 0 "[ . 1 . 2]" 1
57 1 12 ALA HA 1 15 GLU QB 3.400 . 5.000 3.107 2.330 4.744 . 0 0 "[ . 1 . 2]" 1
58 1 12 ALA HA 1 15 GLU QG 3.900 . 6.000 2.987 2.288 5.043 . 0 0 "[ . 1 . 2]" 1
59 1 12 ALA MB 1 13 LEU H 2.500 . 3.200 2.542 1.956 2.897 . 0 0 "[ . 1 . 2]" 1
60 1 12 ALA MB 1 13 LEU QB 4.150 . 6.500 3.869 3.342 4.344 . 0 0 "[ . 1 . 2]" 1
61 1 12 ALA MB 1 14 SER H 3.650 . 5.500 4.617 3.848 5.021 . 0 0 "[ . 1 . 2]" 1
62 1 13 LEU H 1 13 LEU QB 2.250 . 2.700 2.168 2.054 2.478 . 0 0 "[ . 1 . 2]" 1
63 1 13 LEU H 1 13 LEU QD 2.500 . 3.200 3.026 2.339 3.270 0.070 17 0 "[ . 1 . 2]" 1
64 1 13 LEU HA 1 13 LEU QD 2.500 . 3.200 2.218 1.928 3.259 0.059 10 0 "[ . 1 . 2]" 1
65 1 13 LEU HA 1 13 LEU HG 2.550 . 3.300 2.656 2.337 3.515 0.215 18 0 "[ . 1 . 2]" 1
66 1 13 LEU QB 1 13 LEU QD 2.500 . 3.200 1.918 1.886 2.005 . 0 0 "[ . 1 . 2]" 1
67 1 13 LEU QB 1 13 LEU HG 2.250 . 2.700 2.394 2.188 2.489 . 0 0 "[ . 1 . 2]" 1
68 1 13 LEU QB 1 14 SER HA 3.900 . 6.000 3.849 3.701 4.836 . 0 0 "[ . 1 . 2]" 1
69 1 13 LEU QB 1 14 SER QB 3.900 . 6.000 4.009 3.463 5.000 . 0 0 "[ . 1 . 2]" 1
70 1 14 SER H 1 14 SER QB 2.250 . 2.700 2.280 2.113 2.587 . 0 0 "[ . 1 . 2]" 1
71 1 14 SER HA 1 14 SER QB 2.250 . 2.700 2.369 2.197 2.507 . 0 0 "[ . 1 . 2]" 1
72 1 14 SER HA 1 17 GLU QG 3.900 . 6.000 4.432 4.030 5.449 . 0 0 "[ . 1 . 2]" 1
73 1 14 SER QB 1 15 GLU H 2.250 . 2.700 2.735 2.157 2.975 0.275 8 0 "[ . 1 . 2]" 1
74 1 15 GLU H 1 15 GLU QG 2.250 . 2.700 2.616 1.977 2.926 0.226 18 0 "[ . 1 . 2]" 1
75 1 15 GLU HA 1 15 GLU QB 2.250 . 2.700 2.436 2.171 2.526 . 0 0 "[ . 1 . 2]" 1
76 1 15 GLU QB 1 15 GLU QG 2.250 . 2.700 2.051 2.037 2.098 . 0 0 "[ . 1 . 2]" 1
77 1 15 GLU QB 1 16 ILE H 2.250 . 2.700 2.511 2.355 3.197 0.497 8 0 "[ . 1 . 2]" 1
78 1 15 GLU QG 1 16 ILE H 3.400 . 5.000 3.901 1.629 4.298 0.171 8 0 "[ . 1 . 2]" 1
79 1 16 ILE H 1 17 GLU H 2.250 . 2.700 2.762 2.699 2.804 0.104 4 0 "[ . 1 . 2]" 1
80 1 16 ILE HA 1 16 ILE HG13 2.550 . 3.300 2.541 2.344 3.538 0.238 15 0 "[ . 1 . 2]" 1
81 1 16 ILE HG12 1 16 ILE MG 2.500 . 3.200 2.291 2.139 3.158 . 0 0 "[ . 1 . 2]" 1
82 1 16 ILE MG 1 17 GLU H 2.500 . 3.200 2.505 2.053 3.302 0.102 5 0 "[ . 1 . 2]" 1
83 1 16 ILE MG 1 18 THR H 3.650 . 5.500 4.143 3.839 4.509 . 0 0 "[ . 1 . 2]" 1
84 1 16 ILE MG 1 18 THR HA 4.150 . 6.500 6.309 5.978 6.524 0.024 11 0 "[ . 1 . 2]" 1
85 1 16 ILE MG 1 19 ARG QD 3.650 . 5.500 4.646 3.026 5.541 0.041 17 0 "[ . 1 . 2]" 1
86 1 17 GLU H 1 18 THR H 2.550 . 3.300 2.830 2.649 2.911 . 0 0 "[ . 1 . 2]" 1
87 1 17 GLU H 1 18 THR MG 3.650 . 5.500 4.572 4.060 5.773 0.273 9 0 "[ . 1 . 2]" 1
88 1 17 GLU HA 1 17 GLU QG 2.550 . 3.300 2.302 2.217 2.435 . 0 0 "[ . 1 . 2]" 1
89 1 17 GLU QB 1 17 GLU QG 2.250 . 2.700 2.073 2.046 2.108 . 0 0 "[ . 1 . 2]" 1
90 1 17 GLU QB 1 18 THR H 2.550 . 3.300 3.333 3.020 3.456 0.156 1 0 "[ . 1 . 2]" 1
91 1 17 GLU QB 1 18 THR HA 3.900 . 6.000 4.099 3.981 4.212 . 0 0 "[ . 1 . 2]" 1
92 1 17 GLU QB 1 18 THR HB 3.900 . 6.000 5.113 4.652 5.979 . 0 0 "[ . 1 . 2]" 1
93 1 17 GLU QG 1 18 THR H 3.400 . 5.000 4.383 3.907 4.481 . 0 0 "[ . 1 . 2]" 1
94 1 18 THR H 1 18 THR HA 2.250 . 2.700 2.858 2.835 2.873 0.173 8 0 "[ . 1 . 2]" 1
95 1 18 THR H 1 19 ARG H 2.550 . 3.300 2.470 2.315 2.777 . 0 0 "[ . 1 . 2]" 1
96 1 18 THR H 1 19 ARG QB 3.400 . 5.000 4.307 3.997 4.745 . 0 0 "[ . 1 . 2]" 1
97 1 18 THR HA 1 18 THR MG 2.500 . 3.200 2.785 2.197 3.191 . 0 0 "[ . 1 . 2]" 1
98 1 18 THR HA 1 19 ARG H 2.550 . 3.300 3.436 3.385 3.545 0.245 9 0 "[ . 1 . 2]" 1
99 1 18 THR MG 1 19 ARG H 3.650 . 5.500 2.859 2.230 4.171 . 0 0 "[ . 1 . 2]" 1
100 1 18 THR MG 1 19 ARG QD 3.650 . 5.500 4.490 2.248 5.480 . 0 0 "[ . 1 . 2]" 1
101 1 19 ARG H 1 19 ARG HA 2.550 . 3.300 2.841 2.798 2.870 . 0 0 "[ . 1 . 2]" 1
102 1 19 ARG H 1 19 ARG QB 2.550 . 3.300 2.251 2.067 2.563 . 0 0 "[ . 1 . 2]" 1
103 1 19 ARG H 1 19 ARG QD 3.900 . 6.000 3.540 2.179 4.575 . 0 0 "[ . 1 . 2]" 1
104 1 19 ARG H 1 19 ARG HE 3.900 . 6.000 5.022 3.490 5.966 . 0 0 "[ . 1 . 2]" 1
105 1 19 ARG H 1 20 HIS QB 3.900 . 6.000 4.394 4.201 4.717 . 0 0 "[ . 1 . 2]" 1
106 1 19 ARG H 1 20 HIS HD2 3.900 . 6.000 5.345 3.884 6.017 0.017 13 0 "[ . 1 . 2]" 1
107 1 19 ARG HA 1 19 ARG QD 3.900 . 6.000 3.621 2.115 4.617 . 0 0 "[ . 1 . 2]" 1
108 1 19 ARG HA 1 19 ARG HE 3.900 . 6.000 4.230 2.182 5.569 . 0 0 "[ . 1 . 2]" 1
109 1 19 ARG QB 1 19 ARG QD 2.250 . 2.700 2.251 2.101 2.504 . 0 0 "[ . 1 . 2]" 1
110 1 19 ARG QB 1 19 ARG HE 3.900 . 6.000 3.156 1.888 4.177 . 0 0 "[ . 1 . 2]" 1
111 1 19 ARG QB 1 19 ARG QG 2.250 . 2.700 2.078 2.023 2.109 . 0 0 "[ . 1 . 2]" 1
112 1 20 HIS H 1 21 SER H 3.400 . 5.000 2.209 2.042 2.301 . 0 0 "[ . 1 . 2]" 1
113 1 20 HIS HA 1 21 SER H 3.400 . 5.000 3.516 3.421 3.572 . 0 0 "[ . 1 . 2]" 1
114 1 20 HIS QB 1 21 SER H 3.400 . 5.000 2.784 2.342 3.277 . 0 0 "[ . 1 . 2]" 1
115 1 20 HIS HD2 1 21 SER H 3.900 . 6.000 4.466 2.212 5.891 . 0 0 "[ . 1 . 2]" 1
116 1 21 SER H 1 21 SER HA 2.550 . 3.300 2.816 2.741 2.902 . 0 0 "[ . 1 . 2]" 1
117 1 21 SER H 1 21 SER QB 2.550 . 3.300 2.279 2.068 2.656 . 0 0 "[ . 1 . 2]" 1
118 1 21 SER H 1 22 GLU H 3.900 . 6.000 2.655 2.320 2.897 . 0 0 "[ . 1 . 2]" 1
119 1 21 SER H 1 22 GLU QB 3.900 . 6.000 4.449 4.021 4.841 . 0 0 "[ . 1 . 2]" 1
120 1 21 SER H 1 22 GLU QG 3.900 . 6.000 5.099 3.946 6.065 0.065 16 0 "[ . 1 . 2]" 1
121 1 21 SER H 1 24 ILE H 3.900 . 6.000 5.095 4.850 5.551 . 0 0 "[ . 1 . 2]" 1
122 1 21 SER HA 1 21 SER QB 2.250 . 2.700 2.347 2.159 2.531 . 0 0 "[ . 1 . 2]" 1
123 1 21 SER HA 1 24 ILE HG12 3.400 . 5.000 3.354 2.323 4.513 . 0 0 "[ . 1 . 2]" 1
124 1 21 SER HA 1 24 ILE MG 3.650 . 5.500 4.157 3.494 4.639 . 0 0 "[ . 1 . 2]" 1
125 1 21 SER HA 1 25 LYS QG 3.900 . 6.000 4.965 3.599 6.088 0.088 4 0 "[ . 1 . 2]" 1
126 1 21 SER QB 1 22 GLU H 3.900 . 6.000 2.821 2.425 3.438 . 0 0 "[ . 1 . 2]" 1
127 1 22 GLU H 1 22 GLU QB 3.400 . 5.000 2.243 2.061 2.464 . 0 0 "[ . 1 . 2]" 1
128 1 22 GLU H 1 22 GLU QG 3.400 . 5.000 2.958 2.127 4.015 . 0 0 "[ . 1 . 2]" 1
129 1 22 GLU H 1 23 ILE H 2.550 . 3.300 2.830 2.574 3.053 . 0 0 "[ . 1 . 2]" 1
130 1 22 GLU H 1 24 ILE H 3.900 . 6.000 4.382 3.903 4.748 . 0 0 "[ . 1 . 2]" 1
131 1 22 GLU QB 1 23 ILE H 2.250 . 2.700 2.481 2.030 2.771 0.071 16 0 "[ . 1 . 2]" 1
132 1 22 GLU QB 1 25 LYS H 3.900 . 6.000 4.924 4.642 5.131 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLU QG 1 23 ILE H 3.400 . 5.000 4.004 3.192 4.379 . 0 0 "[ . 1 . 2]" 1
134 1 22 GLU QG 1 24 ILE H 3.900 . 6.000 5.788 5.171 6.031 0.031 8 0 "[ . 1 . 2]" 1
135 1 23 ILE H 1 23 ILE HA 2.550 . 3.300 2.806 2.776 2.819 . 0 0 "[ . 1 . 2]" 1
136 1 23 ILE H 1 24 ILE H 2.250 . 2.700 2.794 2.708 2.949 0.249 16 0 "[ . 1 . 2]" 1
137 1 23 ILE H 1 24 ILE HG12 3.400 . 5.000 4.383 4.003 4.885 . 0 0 "[ . 1 . 2]" 1
138 1 23 ILE H 1 25 LYS H 3.400 . 5.000 4.087 3.943 4.465 . 0 0 "[ . 1 . 2]" 1
139 1 23 ILE HA 1 23 ILE HB 2.550 . 3.300 2.974 2.536 3.028 . 0 0 "[ . 1 . 2]" 1
140 1 23 ILE HA 1 23 ILE HG12 2.550 . 3.300 2.735 2.396 3.342 0.042 6 0 "[ . 1 . 2]" 1
141 1 23 ILE HA 1 23 ILE MG 2.500 . 3.200 2.365 2.119 3.185 . 0 0 "[ . 1 . 2]" 1
142 1 23 ILE HA 1 25 LYS QB 3.400 . 5.000 4.968 4.496 5.061 0.061 19 0 "[ . 1 . 2]" 1
143 1 23 ILE HB 1 23 ILE HG13 2.250 . 2.700 2.503 2.324 2.666 . 0 0 "[ . 1 . 2]" 1
144 1 23 ILE HG12 1 24 ILE H 3.400 . 5.000 4.525 3.702 5.042 0.042 11 0 "[ . 1 . 2]" 1
145 1 24 ILE H 1 24 ILE HA 2.250 . 2.700 2.791 2.778 2.810 0.110 12 0 "[ . 1 . 2]" 1
146 1 24 ILE H 1 24 ILE MD 2.800 . 3.800 3.165 2.346 3.828 0.028 12 0 "[ . 1 . 2]" 1
147 1 24 ILE H 1 24 ILE HG12 2.250 . 2.700 2.079 1.811 2.814 0.114 12 0 "[ . 1 . 2]" 1
148 1 24 ILE H 1 25 LYS H 2.550 . 3.300 2.723 2.624 2.833 . 0 0 "[ . 1 . 2]" 1
149 1 24 ILE H 1 26 LEU H 3.400 . 5.000 4.511 4.104 4.887 . 0 0 "[ . 1 . 2]" 1
150 1 24 ILE H 1 27 GLU H 3.900 . 6.000 4.931 4.818 5.081 . 0 0 "[ . 1 . 2]" 1
151 1 24 ILE HA 1 24 ILE HB 2.550 . 3.300 2.960 2.453 3.022 . 0 0 "[ . 1 . 2]" 1
152 1 24 ILE HA 1 24 ILE MD 2.800 . 3.800 2.360 2.092 3.846 0.046 16 0 "[ . 1 . 2]" 1
153 1 24 ILE HA 1 24 ILE HG12 3.400 . 5.000 3.069 2.529 4.092 . 0 0 "[ . 1 . 2]" 1
154 1 24 ILE HA 1 24 ILE MG 2.500 . 3.200 2.312 2.234 2.432 . 0 0 "[ . 1 . 2]" 1
155 1 24 ILE HA 1 25 LYS H 2.550 . 3.300 3.507 3.433 3.533 0.233 10 0 "[ . 1 . 2]" 1
156 1 24 ILE HA 1 27 GLU QB 2.550 . 3.300 2.717 2.442 2.952 . 0 0 "[ . 1 . 2]" 1
157 1 24 ILE HA 1 27 GLU QG 3.400 . 5.000 3.431 2.461 4.368 . 0 0 "[ . 1 . 2]" 1
158 1 24 ILE HA 1 28 ASN QB 3.900 . 6.000 5.046 4.207 6.029 0.029 3 0 "[ . 1 . 2]" 1
159 1 24 ILE HB 1 24 ILE HG12 2.550 . 3.300 2.576 2.405 2.838 . 0 0 "[ . 1 . 2]" 1
160 1 24 ILE HB 1 24 ILE HG13 2.550 . 3.300 2.466 2.318 2.894 . 0 0 "[ . 1 . 2]" 1
161 1 24 ILE HB 1 28 ASN H 3.900 . 6.000 5.509 4.217 5.917 . 0 0 "[ . 1 . 2]" 1
162 1 24 ILE HB 1 28 ASN QD 3.900 . 6.000 4.881 3.574 6.017 0.017 4 0 "[ . 1 . 2]" 1
163 1 24 ILE MD 1 25 LYS H 3.650 . 5.500 4.388 2.879 4.826 . 0 0 "[ . 1 . 2]" 1
164 1 24 ILE MD 1 27 GLU QG 3.650 . 5.500 4.296 3.365 5.476 . 0 0 "[ . 1 . 2]" 1
165 1 24 ILE MD 1 28 ASN QD 4.150 . 6.500 4.452 2.841 6.471 . 0 0 "[ . 1 . 2]" 1
166 1 24 ILE HG12 1 24 ILE MG 2.500 . 3.200 3.060 2.082 3.192 . 0 0 "[ . 1 . 2]" 1
167 1 24 ILE HG13 1 24 ILE MG 2.500 . 3.200 2.512 2.271 2.900 . 0 0 "[ . 1 . 2]" 1
168 1 24 ILE HG13 1 25 LYS H 3.900 . 6.000 4.467 1.791 4.851 0.009 16 0 "[ . 1 . 2]" 1
169 1 24 ILE MG 1 25 LYS H 2.800 . 3.800 3.539 3.047 3.924 0.124 16 0 "[ . 1 . 2]" 1
170 1 24 ILE MG 1 28 ASN H 3.650 . 5.500 3.965 3.494 5.567 0.067 16 0 "[ . 1 . 2]" 1
171 1 24 ILE MG 1 28 ASN QB 4.150 . 6.500 3.840 2.961 5.818 . 0 0 "[ . 1 . 2]" 1
172 1 25 LYS H 1 25 LYS HA 2.250 . 2.700 2.793 2.769 2.805 0.105 16 0 "[ . 1 . 2]" 1
173 1 25 LYS H 1 25 LYS QB 2.250 . 2.700 2.155 2.037 2.405 . 0 0 "[ . 1 . 2]" 1
174 1 25 LYS H 1 25 LYS QE 3.900 . 6.000 4.806 3.673 5.725 . 0 0 "[ . 1 . 2]" 1
175 1 25 LYS H 1 26 LEU H 2.550 . 3.300 2.855 2.780 2.929 . 0 0 "[ . 1 . 2]" 1
176 1 25 LYS H 1 27 GLU H 3.900 . 6.000 4.237 4.046 4.604 . 0 0 "[ . 1 . 2]" 1
177 1 25 LYS HA 1 25 LYS QB 2.250 . 2.700 2.477 2.309 2.537 . 0 0 "[ . 1 . 2]" 1
178 1 25 LYS HA 1 25 LYS QG 2.550 . 3.300 2.261 2.134 2.440 . 0 0 "[ . 1 . 2]" 1
179 1 25 LYS HA 1 28 ASN H 3.400 . 5.000 3.791 3.609 4.082 . 0 0 "[ . 1 . 2]" 1
180 1 25 LYS HA 1 28 ASN QB 3.400 . 5.000 3.087 2.731 4.308 . 0 0 "[ . 1 . 2]" 1
181 1 25 LYS HA 1 28 ASN QD 3.400 . 5.000 4.068 1.837 4.949 . 0 0 "[ . 1 . 2]" 1
182 1 25 LYS QB 1 25 LYS QE 2.550 . 3.300 2.624 2.049 3.341 0.041 12 0 "[ . 1 . 2]" 1
183 1 25 LYS QB 1 25 LYS QG 2.250 . 2.700 2.080 2.026 2.109 . 0 0 "[ . 1 . 2]" 1
184 1 25 LYS QD 1 28 ASN QB 3.900 . 6.000 5.311 3.521 6.043 0.043 9 0 "[ . 1 . 2]" 1
185 1 25 LYS QE 1 25 LYS QG 2.550 . 3.300 2.228 2.098 2.365 . 0 0 "[ . 1 . 2]" 1
186 1 25 LYS QE 1 26 LEU H 3.900 . 6.000 5.146 4.013 5.948 . 0 0 "[ . 1 . 2]" 1
187 1 25 LYS QG 1 26 LEU H 3.400 . 5.000 4.050 2.955 4.379 . 0 0 "[ . 1 . 2]" 1
188 1 25 LYS QG 1 28 ASN QB 3.900 . 6.000 4.474 3.936 5.194 . 0 0 "[ . 1 . 2]" 1
189 1 25 LYS QG 1 28 ASN QD 3.900 . 6.000 5.178 2.321 5.989 . 0 0 "[ . 1 . 2]" 1
190 1 26 LEU H 1 26 LEU HA 2.250 . 2.700 2.771 2.749 2.822 0.122 19 0 "[ . 1 . 2]" 1
191 1 26 LEU H 1 26 LEU QB 2.250 . 2.700 2.267 2.070 2.509 . 0 0 "[ . 1 . 2]" 1
192 1 26 LEU H 1 26 LEU QD 2.500 . 3.200 2.384 1.924 2.938 . 0 0 "[ . 1 . 2]" 1
193 1 26 LEU H 1 27 GLU H 2.550 . 3.300 2.844 2.741 2.906 . 0 0 "[ . 1 . 2]" 1
194 1 26 LEU H 1 28 ASN H 3.400 . 5.000 4.601 4.386 4.822 . 0 0 "[ . 1 . 2]" 1
195 1 26 LEU HA 1 26 LEU QD 2.500 . 3.200 2.248 1.936 2.582 . 0 0 "[ . 1 . 2]" 1
196 1 26 LEU HA 1 27 GLU H 3.400 . 5.000 3.552 3.530 3.569 . 0 0 "[ . 1 . 2]" 1
197 1 26 LEU QB 1 26 LEU QD 2.500 . 3.200 1.906 1.863 2.003 . 0 0 "[ . 1 . 2]" 1
198 1 26 LEU QB 1 27 GLU H 2.550 . 3.300 2.517 2.258 2.727 . 0 0 "[ . 1 . 2]" 1
199 1 26 LEU QB 1 27 GLU QG 3.900 . 6.000 3.692 3.009 5.379 . 0 0 "[ . 1 . 2]" 1
200 1 26 LEU QB 1 30 ILE HG13 3.900 . 6.000 4.335 3.811 4.848 . 0 0 "[ . 1 . 2]" 1
201 1 26 LEU QD 1 27 GLU H 2.800 . 3.800 3.860 3.803 3.979 0.179 16 0 "[ . 1 . 2]" 1
202 1 27 GLU H 1 27 GLU HA 2.250 . 2.700 2.784 2.774 2.806 0.106 12 0 "[ . 1 . 2]" 1
203 1 27 GLU H 1 27 GLU QB 2.250 . 2.700 2.296 2.030 2.530 . 0 0 "[ . 1 . 2]" 1
204 1 27 GLU H 1 27 GLU QG 2.550 . 3.300 2.606 1.996 3.652 0.352 16 0 "[ . 1 . 2]" 1
205 1 27 GLU H 1 28 ASN H 2.550 . 3.300 2.928 2.816 2.975 . 0 0 "[ . 1 . 2]" 1
206 1 27 GLU H 1 29 SER H 3.400 . 5.000 3.909 3.802 4.093 . 0 0 "[ . 1 . 2]" 1
207 1 27 GLU HA 1 27 GLU QB 2.250 . 2.700 2.387 2.175 2.538 . 0 0 "[ . 1 . 2]" 1
208 1 27 GLU HA 1 28 ASN H 3.400 . 5.000 3.578 3.564 3.595 . 0 0 "[ . 1 . 2]" 1
209 1 27 GLU HA 1 30 ILE HG13 3.400 . 5.000 3.966 3.560 4.370 . 0 0 "[ . 1 . 2]" 1
210 1 27 GLU QB 1 27 GLU QG 2.250 . 2.700 2.067 2.037 2.106 . 0 0 "[ . 1 . 2]" 1
211 1 27 GLU QB 1 28 ASN H 2.550 . 3.300 2.334 2.165 2.874 . 0 0 "[ . 1 . 2]" 1
212 1 27 GLU QB 1 28 ASN QB 3.900 . 6.000 4.075 3.631 4.698 . 0 0 "[ . 1 . 2]" 1
213 1 27 GLU QG 1 28 ASN H 3.900 . 6.000 3.752 2.278 4.261 . 0 0 "[ . 1 . 2]" 1
214 1 28 ASN H 1 28 ASN HA 2.550 . 3.300 2.804 2.788 2.822 . 0 0 "[ . 1 . 2]" 1
215 1 28 ASN H 1 28 ASN QB 2.250 . 2.700 2.286 2.038 2.721 0.021 3 0 "[ . 1 . 2]" 1
216 1 28 ASN H 1 28 ASN QD 3.900 . 6.000 3.320 2.104 4.471 . 0 0 "[ . 1 . 2]" 1
217 1 28 ASN H 1 29 SER H 2.550 . 3.300 2.680 2.633 2.758 . 0 0 "[ . 1 . 2]" 1
218 1 28 ASN H 1 29 SER HA 3.900 . 6.000 5.274 5.225 5.350 . 0 0 "[ . 1 . 2]" 1
219 1 28 ASN H 1 31 ARG QG 3.900 . 6.000 5.259 4.548 5.937 . 0 0 "[ . 1 . 2]" 1
220 1 28 ASN HA 1 28 ASN QD 3.400 . 5.000 3.571 2.126 4.004 . 0 0 "[ . 1 . 2]" 1
221 1 28 ASN HA 1 29 SER H 3.400 . 5.000 3.493 3.442 3.539 . 0 0 "[ . 1 . 2]" 1
222 1 28 ASN HA 1 29 SER QB 3.900 . 6.000 5.282 5.148 5.512 . 0 0 "[ . 1 . 2]" 1
223 1 28 ASN QB 1 28 ASN QD 2.250 . 2.700 2.299 2.186 2.739 0.039 18 0 "[ . 1 . 2]" 1
224 1 28 ASN QB 1 30 ILE H 3.900 . 6.000 4.668 4.494 4.922 . 0 0 "[ . 1 . 2]" 1
225 1 28 ASN QB 1 31 ARG QB 3.900 . 6.000 4.404 3.855 5.564 . 0 0 "[ . 1 . 2]" 1
226 1 29 SER H 1 29 SER HA 2.550 . 3.300 2.838 2.799 2.881 . 0 0 "[ . 1 . 2]" 1
227 1 29 SER HA 1 32 GLU QB 3.900 . 6.000 2.463 2.321 2.909 . 0 0 "[ . 1 . 2]" 1
228 1 29 SER HA 1 33 LEU QD 4.150 . 6.500 3.247 2.761 3.694 . 0 0 "[ . 1 . 2]" 1
229 1 29 SER QB 1 33 LEU QB 3.900 . 6.000 4.506 3.960 4.933 . 0 0 "[ . 1 . 2]" 1
230 1 30 ILE H 1 30 ILE HA 2.550 . 3.300 2.879 2.841 2.905 . 0 0 "[ . 1 . 2]" 1
231 1 30 ILE H 1 30 ILE MD 2.800 . 3.800 3.447 3.271 3.623 . 0 0 "[ . 1 . 2]" 1
232 1 30 ILE H 1 30 ILE HG13 2.550 . 3.300 2.585 2.233 2.782 . 0 0 "[ . 1 . 2]" 1
233 1 30 ILE HA 1 30 ILE HG13 2.550 . 3.300 2.653 2.506 2.832 . 0 0 "[ . 1 . 2]" 1
234 1 30 ILE HA 1 32 GLU H 3.400 . 5.000 4.171 3.997 4.486 . 0 0 "[ . 1 . 2]" 1
235 1 30 ILE HA 1 33 LEU H 3.400 . 5.000 4.061 3.807 4.187 . 0 0 "[ . 1 . 2]" 1
236 1 30 ILE HB 1 30 ILE HG12 2.550 . 3.300 3.021 3.001 3.028 . 0 0 "[ . 1 . 2]" 1
237 1 30 ILE HG13 1 33 LEU QB 3.900 . 6.000 5.298 4.966 5.516 . 0 0 "[ . 1 . 2]" 1
238 1 30 ILE MG 1 31 ARG H 2.800 . 3.800 3.284 3.029 3.547 . 0 0 "[ . 1 . 2]" 1
239 1 30 ILE MG 1 31 ARG HA 2.800 . 3.800 3.330 3.148 3.590 . 0 0 "[ . 1 . 2]" 1
240 1 31 ARG H 1 31 ARG QB 2.250 . 2.700 2.403 2.158 2.570 . 0 0 "[ . 1 . 2]" 1
241 1 31 ARG H 1 31 ARG HE 3.900 . 6.000 4.848 2.741 5.817 . 0 0 "[ . 1 . 2]" 1
242 1 31 ARG H 1 31 ARG QG 3.400 . 5.000 2.357 1.981 2.894 . 0 0 "[ . 1 . 2]" 1
243 1 31 ARG HA 1 31 ARG QB 2.550 . 3.300 2.365 2.174 2.490 . 0 0 "[ . 1 . 2]" 1
244 1 31 ARG HA 1 31 ARG HE 3.900 . 6.000 4.718 3.304 5.723 . 0 0 "[ . 1 . 2]" 1
245 1 31 ARG HA 1 31 ARG QG 2.550 . 3.300 2.398 2.221 3.264 . 0 0 "[ . 1 . 2]" 1
246 1 31 ARG HA 1 32 GLU H 2.550 . 3.300 3.447 3.426 3.505 0.205 5 0 "[ . 1 . 2]" 1
247 1 31 ARG HA 1 34 HIS QB 3.400 . 5.000 2.642 2.320 2.770 . 0 0 "[ . 1 . 2]" 1
248 1 31 ARG QB 1 31 ARG HE 3.400 . 5.000 3.033 1.864 4.221 . 0 0 "[ . 1 . 2]" 1
249 1 31 ARG QB 1 32 GLU H 2.550 . 3.300 2.944 2.661 3.492 0.192 12 0 "[ . 1 . 2]" 1
250 1 31 ARG QB 1 32 GLU QG 3.400 . 5.000 3.432 3.045 4.243 . 0 0 "[ . 1 . 2]" 1
251 1 31 ARG QD 1 31 ARG QG 2.250 . 2.700 2.053 1.968 2.107 . 0 0 "[ . 1 . 2]" 1
252 1 31 ARG QD 1 32 GLU QG 3.900 . 6.000 5.222 3.148 5.962 . 0 0 "[ . 1 . 2]" 1
253 1 31 ARG HE 1 31 ARG QG 3.400 . 5.000 2.611 2.066 3.286 . 0 0 "[ . 1 . 2]" 1
254 1 32 GLU H 1 32 GLU HA 2.250 . 2.700 2.881 2.859 2.888 0.188 6 0 "[ . 1 . 2]" 1
255 1 32 GLU H 1 32 GLU QB 2.250 . 2.700 2.251 2.151 2.358 . 0 0 "[ . 1 . 2]" 1
256 1 32 GLU H 1 32 GLU QG 2.550 . 3.300 2.778 2.547 3.396 0.096 5 0 "[ . 1 . 2]" 1
257 1 32 GLU H 1 34 HIS H 3.400 . 5.000 3.647 3.544 3.811 . 0 0 "[ . 1 . 2]" 1
258 1 32 GLU HA 1 32 GLU QB 2.550 . 3.300 2.443 2.392 2.498 . 0 0 "[ . 1 . 2]" 1
259 1 32 GLU HA 1 32 GLU QG 2.250 . 2.700 2.360 2.193 2.515 . 0 0 "[ . 1 . 2]" 1
260 1 32 GLU QB 1 33 LEU HG 3.400 . 5.000 3.566 3.028 5.011 0.011 11 0 "[ . 1 . 2]" 1
261 1 32 GLU QG 1 33 LEU QD 3.650 . 5.500 4.891 4.004 5.349 . 0 0 "[ . 1 . 2]" 1
262 1 33 LEU H 1 33 LEU QB 2.250 . 2.700 2.357 2.170 2.516 . 0 0 "[ . 1 . 2]" 1
263 1 33 LEU H 1 33 LEU QD 2.500 . 3.200 2.757 1.800 3.122 . 0 0 "[ . 1 . 2]" 1
264 1 33 LEU H 1 34 HIS H 2.550 . 3.300 2.762 2.624 2.824 . 0 0 "[ . 1 . 2]" 1
265 1 33 LEU H 1 34 HIS QB 3.400 . 5.000 4.470 4.362 4.553 . 0 0 "[ . 1 . 2]" 1
266 1 33 LEU HA 1 33 LEU QD 2.500 . 3.200 2.209 2.110 2.313 . 0 0 "[ . 1 . 2]" 1
267 1 33 LEU HA 1 33 LEU HG 2.550 . 3.300 2.633 2.351 2.997 . 0 0 "[ . 1 . 2]" 1
268 1 33 LEU HA 1 34 HIS H 3.400 . 5.000 3.523 3.488 3.551 . 0 0 "[ . 1 . 2]" 1
269 1 33 LEU QB 1 33 LEU QD 2.500 . 3.200 1.902 1.879 1.927 . 0 0 "[ . 1 . 2]" 1
270 1 33 LEU QB 1 33 LEU HG 2.550 . 3.300 2.421 2.338 2.500 . 0 0 "[ . 1 . 2]" 1
271 1 33 LEU QB 1 34 HIS H 3.400 . 5.000 2.714 2.533 2.834 . 0 0 "[ . 1 . 2]" 1
272 1 33 LEU QD 1 34 HIS H 3.650 . 5.500 4.078 3.806 4.209 . 0 0 "[ . 1 . 2]" 1
273 1 33 LEU QD 1 35 ASP H 4.150 . 6.500 5.665 5.401 5.802 . 0 0 "[ . 1 . 2]" 1
274 1 33 LEU QD 1 37 PHE QB 4.150 . 6.500 4.953 4.045 5.390 . 0 0 "[ . 1 . 2]" 1
275 1 34 HIS H 1 34 HIS HA 2.550 . 3.300 2.783 2.767 2.792 . 0 0 "[ . 1 . 2]" 1
276 1 34 HIS H 1 34 HIS QB 2.550 . 3.300 2.188 2.066 2.246 . 0 0 "[ . 1 . 2]" 1
277 1 34 HIS H 1 34 HIS HD2 3.900 . 6.000 4.909 3.016 5.401 . 0 0 "[ . 1 . 2]" 1
278 1 34 HIS H 1 35 ASP H 2.550 . 3.300 2.942 2.897 2.995 . 0 0 "[ . 1 . 2]" 1
279 1 34 HIS HA 1 35 ASP H 3.400 . 5.000 3.570 3.563 3.576 . 0 0 "[ . 1 . 2]" 1
280 1 34 HIS HA 1 37 PHE H 3.400 . 5.000 3.963 3.891 4.111 . 0 0 "[ . 1 . 2]" 1
281 1 34 HIS QB 1 35 ASP H 3.400 . 5.000 2.356 2.243 2.488 . 0 0 "[ . 1 . 2]" 1
282 1 34 HIS HD2 1 35 ASP H 3.900 . 6.000 4.494 2.675 5.561 . 0 0 "[ . 1 . 2]" 1
283 1 35 ASP H 1 35 ASP HA 2.550 . 3.300 2.831 2.823 2.840 . 0 0 "[ . 1 . 2]" 1
284 1 35 ASP H 1 35 ASP QB 2.250 . 2.700 2.202 2.054 2.612 . 0 0 "[ . 1 . 2]" 1
285 1 35 ASP H 1 36 MET H 2.550 . 3.300 2.842 2.795 2.869 . 0 0 "[ . 1 . 2]" 1
286 1 35 ASP H 1 36 MET QB 3.400 . 5.000 4.492 4.368 4.740 . 0 0 "[ . 1 . 2]" 1
287 1 35 ASP H 1 37 PHE H 3.400 . 5.000 4.053 3.947 4.216 . 0 0 "[ . 1 . 2]" 1
288 1 35 ASP HA 1 35 ASP QB 2.550 . 3.300 2.448 2.212 2.541 . 0 0 "[ . 1 . 2]" 1
289 1 35 ASP QB 1 36 MET H 2.550 . 3.300 2.274 2.143 2.520 . 0 0 "[ . 1 . 2]" 1
290 1 36 MET H 1 36 MET HA 2.250 . 2.700 2.717 2.711 2.726 0.026 3 0 "[ . 1 . 2]" 1
291 1 36 MET H 1 36 MET QB 2.250 . 2.700 2.279 2.066 2.577 . 0 0 "[ . 1 . 2]" 1
292 1 36 MET H 1 37 PHE QB 3.400 . 5.000 4.564 4.547 4.597 . 0 0 "[ . 1 . 2]" 1
293 1 36 MET H 1 37 PHE QD 3.900 . 6.000 6.052 5.983 6.096 0.096 5 0 "[ . 1 . 2]" 1
294 1 36 MET HA 1 36 MET QB 2.550 . 3.300 2.446 2.324 2.539 . 0 0 "[ . 1 . 2]" 1
295 1 36 MET HA 1 36 MET QG 2.550 . 3.300 2.327 2.136 2.566 . 0 0 "[ . 1 . 2]" 1
296 1 36 MET HA 1 39 ASP H 2.250 . 2.700 2.780 2.745 2.872 0.172 12 0 "[ . 1 . 2]" 1
297 1 36 MET HA 1 39 ASP QB 2.550 . 3.300 2.179 2.081 2.320 . 0 0 "[ . 1 . 2]" 1
298 1 36 MET QB 1 36 MET ME 2.500 . 3.200 2.575 2.084 3.118 . 0 0 "[ . 1 . 2]" 1
299 1 36 MET QB 1 37 PHE HA 3.400 . 5.000 3.898 3.732 4.178 . 0 0 "[ . 1 . 2]" 1
300 1 36 MET QB 1 37 PHE QB 3.400 . 5.000 4.269 4.145 4.366 . 0 0 "[ . 1 . 2]" 1
301 1 36 MET QB 1 39 ASP QB 3.400 . 5.000 3.454 3.124 3.790 . 0 0 "[ . 1 . 2]" 1
302 1 37 PHE H 1 37 PHE HA 2.250 . 2.700 2.720 2.714 2.770 0.070 12 0 "[ . 1 . 2]" 1
303 1 37 PHE H 1 37 PHE QB 2.250 . 2.700 2.104 2.090 2.150 . 0 0 "[ . 1 . 2]" 1
304 1 37 PHE H 1 37 PHE QD 3.400 . 5.000 3.612 3.531 3.987 . 0 0 "[ . 1 . 2]" 1
305 1 37 PHE HA 1 37 PHE QD 3.400 . 5.000 2.621 2.372 2.819 . 0 0 "[ . 1 . 2]" 1
306 1 37 PHE HA 1 39 ASP QB 3.900 . 6.000 5.178 5.078 5.384 . 0 0 "[ . 1 . 2]" 1
307 1 37 PHE HA 1 40 MET QB 3.400 . 5.000 3.526 3.223 4.514 . 0 0 "[ . 1 . 2]" 1
308 1 37 PHE QB 1 38 MET H 2.550 . 3.300 2.555 2.410 2.852 . 0 0 "[ . 1 . 2]" 1
309 1 37 PHE QB 1 38 MET HA 3.900 . 6.000 3.909 3.845 4.599 . 0 0 "[ . 1 . 2]" 1
310 1 37 PHE QB 1 38 MET QG 3.900 . 6.000 3.356 2.697 4.650 . 0 0 "[ . 1 . 2]" 1
311 1 37 PHE QB 1 40 MET H 3.900 . 6.000 5.434 5.390 5.472 . 0 0 "[ . 1 . 2]" 1
312 1 37 PHE QB 1 41 ALA MB 3.650 . 5.500 4.816 4.672 5.340 . 0 0 "[ . 1 . 2]" 1
313 1 37 PHE QD 1 38 MET H 3.400 . 5.000 4.225 3.038 4.375 . 0 0 "[ . 1 . 2]" 1
314 1 37 PHE QD 1 38 MET HA 3.900 . 6.000 4.280 3.873 4.531 . 0 0 "[ . 1 . 2]" 1
315 1 37 PHE QD 1 38 MET QG 3.900 . 6.000 4.256 2.519 6.011 0.011 16 0 "[ . 1 . 2]" 1
316 1 37 PHE QD 1 39 ASP H 3.900 . 6.000 5.778 5.131 5.891 . 0 0 "[ . 1 . 2]" 1
317 1 38 MET H 1 38 MET QG 2.550 . 3.300 2.515 1.959 3.169 . 0 0 "[ . 1 . 2]" 1
318 1 38 MET HA 1 38 MET QG 2.550 . 3.300 2.660 2.211 3.402 0.102 20 0 "[ . 1 . 2]" 1
319 1 38 MET HA 1 41 ALA MB 2.500 . 3.200 2.307 2.256 2.432 . 0 0 "[ . 1 . 2]" 1
320 1 38 MET QG 1 41 ALA MB 3.650 . 5.500 4.206 3.590 4.667 . 0 0 "[ . 1 . 2]" 1
321 1 39 ASP H 1 41 ALA MB 3.650 . 5.500 4.217 4.119 4.287 . 0 0 "[ . 1 . 2]" 1
322 1 39 ASP HA 1 39 ASP QB 2.550 . 3.300 2.397 2.313 2.474 . 0 0 "[ . 1 . 2]" 1
323 1 39 ASP HA 1 40 MET H 2.550 . 3.300 3.540 3.537 3.549 0.249 10 0 "[ . 1 . 2]" 1
324 1 39 ASP HA 1 42 MET H 3.400 . 5.000 3.642 3.554 3.763 . 0 0 "[ . 1 . 2]" 1
325 1 39 ASP HA 1 42 MET QB 3.900 . 6.000 3.840 3.775 3.964 . 0 0 "[ . 1 . 2]" 1
326 1 39 ASP HA 1 42 MET QG 3.900 . 6.000 2.737 2.338 3.319 . 0 0 "[ . 1 . 2]" 1
327 1 39 ASP QB 1 40 MET H 2.250 . 2.700 2.179 2.163 2.237 . 0 0 "[ . 1 . 2]" 1
328 1 40 MET H 1 40 MET HA 2.250 . 2.700 2.790 2.769 2.818 0.118 12 0 "[ . 1 . 2]" 1
329 1 40 MET H 1 40 MET QB 2.250 . 2.700 2.256 2.051 2.864 0.164 10 0 "[ . 1 . 2]" 1
330 1 40 MET HA 1 41 ALA H 2.550 . 3.300 3.410 3.402 3.417 0.117 17 0 "[ . 1 . 2]" 1
331 1 40 MET QB 1 41 ALA H 2.550 . 3.300 3.032 2.970 3.386 0.086 10 0 "[ . 1 . 2]" 1
332 1 40 MET QG 1 41 ALA H 3.900 . 6.000 4.263 2.530 4.739 . 0 0 "[ . 1 . 2]" 1
333 1 41 ALA H 1 41 ALA HA 2.250 . 2.700 2.827 2.822 2.833 0.133 20 0 "[ . 1 . 2]" 1
334 1 41 ALA H 1 41 ALA MB 2.500 . 3.200 2.112 2.035 2.244 . 0 0 "[ . 1 . 2]" 1
335 1 41 ALA H 1 42 MET H 2.550 . 3.300 2.491 2.470 2.513 . 0 0 "[ . 1 . 2]" 1
336 1 41 ALA H 1 44 VAL H 3.900 . 6.000 4.791 4.743 4.837 . 0 0 "[ . 1 . 2]" 1
337 1 41 ALA H 1 44 VAL QG 3.650 . 5.500 4.122 4.053 4.435 . 0 0 "[ . 1 . 2]" 1
338 1 41 ALA HA 1 42 MET H 2.550 . 3.300 3.417 3.398 3.435 0.135 3 0 "[ . 1 . 2]" 1
339 1 41 ALA HA 1 42 MET HA 3.900 . 6.000 4.789 4.781 4.796 . 0 0 "[ . 1 . 2]" 1
340 1 41 ALA HA 1 44 VAL H 3.400 . 5.000 3.639 3.604 3.665 . 0 0 "[ . 1 . 2]" 1
341 1 41 ALA HA 1 44 VAL HB 3.400 . 5.000 2.307 2.291 2.316 . 0 0 "[ . 1 . 2]" 1
342 1 41 ALA HA 1 44 VAL QG 2.800 . 3.800 2.831 2.775 2.982 . 0 0 "[ . 1 . 2]" 1
343 1 41 ALA MB 1 42 MET H 2.500 . 3.200 2.884 2.816 2.956 . 0 0 "[ . 1 . 2]" 1
344 1 41 ALA MB 1 42 MET QG 2.800 . 3.800 3.264 3.105 3.443 . 0 0 "[ . 1 . 2]" 1
345 1 41 ALA MB 1 44 VAL H 4.150 . 6.500 4.700 4.672 4.734 . 0 0 "[ . 1 . 2]" 1
346 1 41 ALA MB 1 44 VAL HB 3.650 . 5.500 3.906 3.883 3.942 . 0 0 "[ . 1 . 2]" 1
347 1 41 ALA MB 1 44 VAL QG 2.750 . 3.700 3.813 3.782 3.848 0.148 6 0 "[ . 1 . 2]" 1
348 1 42 MET H 1 42 MET HA 2.250 . 2.700 2.838 2.834 2.842 0.142 19 0 "[ . 1 . 2]" 1
349 1 42 MET H 1 42 MET QB 2.250 . 2.700 2.412 2.334 2.479 . 0 0 "[ . 1 . 2]" 1
350 1 42 MET H 1 42 MET QG 2.550 . 3.300 2.254 2.127 2.406 . 0 0 "[ . 1 . 2]" 1
351 1 42 MET H 1 43 LEU QB 3.400 . 5.000 4.779 4.500 5.007 0.007 20 0 "[ . 1 . 2]" 1
352 1 42 MET H 1 43 LEU QD 3.650 . 5.500 4.106 3.712 4.628 . 0 0 "[ . 1 . 2]" 1
353 1 42 MET QB 1 43 LEU H 3.900 . 6.000 2.127 2.087 2.190 . 0 0 "[ . 1 . 2]" 1
354 1 42 MET QB 1 43 LEU QB 3.400 . 5.000 3.997 3.688 4.201 . 0 0 "[ . 1 . 2]" 1
355 1 43 LEU H 1 43 LEU HA 2.550 . 3.300 2.839 2.829 2.849 . 0 0 "[ . 1 . 2]" 1
356 1 43 LEU HA 1 43 LEU QB 2.550 . 3.300 2.383 2.277 2.525 . 0 0 "[ . 1 . 2]" 1
357 1 43 LEU QB 1 43 LEU QD 2.500 . 3.200 1.922 1.851 2.002 . 0 0 "[ . 1 . 2]" 1
358 1 43 LEU QB 1 43 LEU HG 2.250 . 2.700 2.376 2.195 2.548 . 0 0 "[ . 1 . 2]" 1
359 1 43 LEU QB 1 44 VAL H 2.550 . 3.300 2.985 2.908 3.040 . 0 0 "[ . 1 . 2]" 1
360 1 43 LEU QB 1 44 VAL HA 3.400 . 5.000 3.952 3.863 3.985 . 0 0 "[ . 1 . 2]" 1
361 1 43 LEU QD 1 47 GLN QE 3.650 . 5.500 3.807 2.227 5.242 . 0 0 "[ . 1 . 2]" 1
362 1 43 LEU QD 1 48 GLY H 3.650 . 5.500 5.307 4.085 5.546 0.046 12 0 "[ . 1 . 2]" 1
363 1 44 VAL H 1 44 VAL HA 2.550 . 3.300 2.848 2.838 2.858 . 0 0 "[ . 1 . 2]" 1
364 1 44 VAL H 1 44 VAL HB 2.250 . 2.700 2.276 2.215 2.304 . 0 0 "[ . 1 . 2]" 1
365 1 44 VAL H 1 44 VAL QG 2.500 . 3.200 2.506 2.427 2.612 . 0 0 "[ . 1 . 2]" 1
366 1 44 VAL H 1 45 GLU H 2.550 . 3.300 2.639 2.586 2.693 . 0 0 "[ . 1 . 2]" 1
367 1 44 VAL H 1 45 GLU QG 3.900 . 6.000 4.545 3.922 5.196 . 0 0 "[ . 1 . 2]" 1
368 1 44 VAL HA 1 44 VAL QG 2.500 . 3.200 2.088 2.079 2.094 . 0 0 "[ . 1 . 2]" 1
369 1 44 VAL QG 1 45 GLU HA 2.800 . 3.800 3.168 3.119 3.221 . 0 0 "[ . 1 . 2]" 1
370 1 44 VAL QG 1 45 GLU QG 3.650 . 5.500 2.781 2.285 4.214 . 0 0 "[ . 1 . 2]" 1
371 1 44 VAL QG 1 46 SER H 3.650 . 5.500 4.770 4.484 4.905 . 0 0 "[ . 1 . 2]" 1
372 1 44 VAL QG 1 48 GLY QA 4.150 . 6.500 3.502 3.084 3.632 . 0 0 "[ . 1 . 2]" 1
373 1 45 GLU H 1 45 GLU HA 2.550 . 3.300 2.888 2.883 2.894 . 0 0 "[ . 1 . 2]" 1
374 1 45 GLU H 1 45 GLU QG 2.550 . 3.300 2.520 1.956 3.053 . 0 0 "[ . 1 . 2]" 1
375 1 45 GLU H 1 46 SER H 2.250 . 2.700 2.598 2.392 2.717 0.017 11 0 "[ . 1 . 2]" 1
376 1 45 GLU HA 1 46 SER H 2.550 . 3.300 3.536 3.497 3.546 0.246 5 0 "[ . 1 . 2]" 1
377 1 45 GLU QB 1 46 SER H 2.550 . 3.300 2.488 2.061 3.375 0.075 17 0 "[ . 1 . 2]" 1
378 1 45 GLU QG 1 46 SER H 3.400 . 5.000 3.590 1.726 4.251 0.074 8 0 "[ . 1 . 2]" 1
379 1 46 SER H 1 46 SER HA 2.550 . 3.300 2.873 2.863 2.893 . 0 0 "[ . 1 . 2]" 1
380 1 46 SER H 1 46 SER QB 2.550 . 3.300 2.379 2.075 2.868 . 0 0 "[ . 1 . 2]" 1
381 1 46 SER H 1 48 GLY H 3.900 . 6.000 3.608 3.490 3.712 . 0 0 "[ . 1 . 2]" 1
382 1 46 SER H 1 48 GLY QA 3.900 . 6.000 4.784 4.697 4.858 . 0 0 "[ . 1 . 2]" 1
383 1 46 SER H 1 49 GLU H 3.900 . 6.000 6.080 6.014 6.145 0.145 14 0 "[ . 1 . 2]" 1
384 1 46 SER HA 1 46 SER QB 2.250 . 2.700 2.339 2.159 2.536 . 0 0 "[ . 1 . 2]" 1
385 1 46 SER QB 1 47 GLN H 2.550 . 3.300 2.122 1.851 2.965 . 0 0 "[ . 1 . 2]" 1
386 1 46 SER QB 1 47 GLN QE 3.900 . 6.000 4.497 2.068 5.883 . 0 0 "[ . 1 . 2]" 1
387 1 46 SER QB 1 47 GLN QG 3.900 . 6.000 4.016 2.355 5.509 . 0 0 "[ . 1 . 2]" 1
388 1 47 GLN H 1 47 GLN HA 2.550 . 3.300 2.879 2.859 2.959 . 0 0 "[ . 1 . 2]" 1
389 1 47 GLN H 1 47 GLN QG 3.400 . 5.000 3.223 1.840 4.033 . 0 0 "[ . 1 . 2]" 1
390 1 47 GLN H 1 48 GLY H 2.550 . 3.300 2.821 2.477 2.885 . 0 0 "[ . 1 . 2]" 1
391 1 47 GLN HA 1 47 GLN QE 3.900 . 6.000 3.555 1.876 4.855 . 0 0 "[ . 1 . 2]" 1
392 1 47 GLN HA 1 48 GLY H 2.550 . 3.300 3.117 3.078 3.180 . 0 0 "[ . 1 . 2]" 1
393 1 47 GLN HA 1 49 GLU H 3.900 . 6.000 3.297 2.963 3.584 . 0 0 "[ . 1 . 2]" 1
394 1 47 GLN HA 1 49 GLU QG 3.400 . 5.000 4.369 3.977 4.865 . 0 0 "[ . 1 . 2]" 1
395 1 47 GLN HA 1 50 MET QG 3.900 . 6.000 4.836 3.210 5.786 . 0 0 "[ . 1 . 2]" 1
396 1 47 GLN QB 1 47 GLN QG 2.250 . 2.700 2.058 2.017 2.107 . 0 0 "[ . 1 . 2]" 1
397 1 47 GLN QE 1 47 GLN QG 2.550 . 3.300 2.349 2.178 2.818 . 0 0 "[ . 1 . 2]" 1
398 1 47 GLN QG 1 48 GLY H 3.900 . 6.000 4.510 4.283 4.663 . 0 0 "[ . 1 . 2]" 1
399 1 48 GLY H 1 48 GLY QA 2.250 . 2.700 2.197 2.190 2.206 . 0 0 "[ . 1 . 2]" 1
400 1 48 GLY H 1 49 GLU H 3.400 . 5.000 2.632 2.547 2.723 . 0 0 "[ . 1 . 2]" 1
401 1 48 GLY H 1 49 GLU HA 3.400 . 5.000 5.214 5.160 5.271 0.271 14 0 "[ . 1 . 2]" 1
402 1 48 GLY H 1 49 GLU QB 3.400 . 5.000 4.718 4.581 4.865 . 0 0 "[ . 1 . 2]" 1
403 1 48 GLY H 1 49 GLU QG 3.400 . 5.000 4.069 3.660 4.910 . 0 0 "[ . 1 . 2]" 1
404 1 48 GLY QA 1 49 GLU H 2.550 . 3.300 2.776 2.746 2.826 . 0 0 "[ . 1 . 2]" 1
405 1 48 GLY QA 1 51 ILE H 3.400 . 5.000 3.270 2.870 3.765 . 0 0 "[ . 1 . 2]" 1
406 1 48 GLY QA 1 51 ILE HB 3.900 . 6.000 2.892 2.318 4.992 . 0 0 "[ . 1 . 2]" 1
407 1 48 GLY QA 1 51 ILE MD 4.150 . 6.500 3.899 2.292 4.790 . 0 0 "[ . 1 . 2]" 1
408 1 48 GLY QA 1 52 ASP H 3.900 . 6.000 3.974 3.266 4.813 . 0 0 "[ . 1 . 2]" 1
409 1 49 GLU H 1 49 GLU HA 2.550 . 3.300 2.794 2.757 2.825 . 0 0 "[ . 1 . 2]" 1
410 1 49 GLU H 1 49 GLU QG 2.550 . 3.300 2.160 1.859 2.862 . 0 0 "[ . 1 . 2]" 1
411 1 49 GLU H 1 50 MET H 2.550 . 3.300 2.671 2.608 2.759 . 0 0 "[ . 1 . 2]" 1
412 1 49 GLU HA 1 49 GLU QB 2.250 . 2.700 2.362 2.295 2.440 . 0 0 "[ . 1 . 2]" 1
413 1 49 GLU HA 1 49 GLU QG 2.250 . 2.700 2.398 2.291 2.622 . 0 0 "[ . 1 . 2]" 1
414 1 50 MET HA 1 51 ILE H 2.550 . 3.300 3.533 3.491 3.548 0.248 14 0 "[ . 1 . 2]" 1
415 1 50 MET HA 1 53 ARG QD 3.400 . 5.000 4.148 2.508 4.918 . 0 0 "[ . 1 . 2]" 1
416 1 50 MET QB 1 50 MET QG 2.250 . 2.700 2.061 2.010 2.108 . 0 0 "[ . 1 . 2]" 1
417 1 51 ILE H 1 51 ILE HA 2.550 . 3.300 2.758 2.722 2.807 . 0 0 "[ . 1 . 2]" 1
418 1 51 ILE H 1 51 ILE MD 2.500 . 3.200 2.913 1.789 3.329 0.129 11 0 "[ . 1 . 2]" 1
419 1 51 ILE H 1 51 ILE HG13 3.400 . 5.000 4.010 1.905 4.510 . 0 0 "[ . 1 . 2]" 1
420 1 51 ILE HA 1 51 ILE MD 2.800 . 3.800 2.356 2.079 3.576 . 0 0 "[ . 1 . 2]" 1
421 1 51 ILE HA 1 51 ILE HG13 3.400 . 5.000 2.768 2.334 3.996 . 0 0 "[ . 1 . 2]" 1
422 1 51 ILE HA 1 51 ILE MG 2.500 . 3.200 2.855 2.246 3.134 . 0 0 "[ . 1 . 2]" 1
423 1 51 ILE HA 1 52 ASP H 3.400 . 5.000 3.470 3.429 3.534 . 0 0 "[ . 1 . 2]" 1
424 1 51 ILE HA 1 54 ILE H 3.400 . 5.000 3.691 3.529 3.913 . 0 0 "[ . 1 . 2]" 1
425 1 51 ILE HB 1 51 ILE HG12 2.250 . 2.700 2.551 2.410 2.621 . 0 0 "[ . 1 . 2]" 1
426 1 51 ILE HB 1 52 ASP HA 3.900 . 6.000 5.084 4.009 5.604 . 0 0 "[ . 1 . 2]" 1
427 1 51 ILE HG13 1 51 ILE MG 2.500 . 3.200 2.463 2.243 2.546 . 0 0 "[ . 1 . 2]" 1
428 1 51 ILE MG 1 52 ASP HA 3.650 . 5.500 3.417 2.924 5.513 0.013 11 0 "[ . 1 . 2]" 1
429 1 52 ASP H 1 52 ASP HA 2.550 . 3.300 2.820 2.739 2.900 . 0 0 "[ . 1 . 2]" 1
430 1 52 ASP H 1 52 ASP QB 2.250 . 2.700 2.181 2.059 2.297 . 0 0 "[ . 1 . 2]" 1
431 1 52 ASP H 1 53 ARG H 2.250 . 2.700 2.685 2.326 2.849 0.149 3 0 "[ . 1 . 2]" 1
432 1 52 ASP H 1 55 GLU H 3.900 . 6.000 5.155 4.689 5.523 . 0 0 "[ . 1 . 2]" 1
433 1 52 ASP HA 1 52 ASP QB 2.550 . 3.300 2.433 2.220 2.537 . 0 0 "[ . 1 . 2]" 1
434 1 52 ASP HA 1 53 ARG H 2.550 . 3.300 3.520 3.497 3.533 0.233 8 0 "[ . 1 . 2]" 1
435 1 52 ASP QB 1 53 ARG H 2.550 . 3.300 2.429 2.251 2.784 . 0 0 "[ . 1 . 2]" 1
436 1 52 ASP QB 1 53 ARG QG 3.400 . 5.000 3.857 3.058 5.017 0.017 19 0 "[ . 1 . 2]" 1
437 1 53 ARG H 1 54 ILE H 2.550 . 3.300 2.896 2.833 2.931 . 0 0 "[ . 1 . 2]" 1
438 1 53 ARG H 1 55 GLU H 3.400 . 5.000 4.355 3.984 4.511 . 0 0 "[ . 1 . 2]" 1
439 1 53 ARG HA 1 53 ARG QD 2.550 . 3.300 2.499 2.105 2.992 . 0 0 "[ . 1 . 2]" 1
440 1 53 ARG HA 1 54 ILE HA 3.400 . 5.000 4.775 4.731 4.808 . 0 0 "[ . 1 . 2]" 1
441 1 53 ARG QB 1 53 ARG QG 2.250 . 2.700 2.040 2.016 2.057 . 0 0 "[ . 1 . 2]" 1
442 1 53 ARG QB 1 54 ILE H 2.550 . 3.300 2.880 2.462 3.103 . 0 0 "[ . 1 . 2]" 1
443 1 53 ARG QB 1 56 TYR QB 3.900 . 6.000 4.579 4.139 4.989 . 0 0 "[ . 1 . 2]" 1
444 1 53 ARG QD 1 53 ARG HE 2.250 . 2.700 2.324 2.216 2.505 . 0 0 "[ . 1 . 2]" 1
445 1 53 ARG QD 1 53 ARG QG 2.250 . 2.700 2.068 1.980 2.108 . 0 0 "[ . 1 . 2]" 1
446 1 53 ARG QD 1 56 TYR QD 3.900 . 6.000 5.158 3.884 5.981 . 0 0 "[ . 1 . 2]" 1
447 1 54 ILE H 1 54 ILE HG12 3.400 . 5.000 4.139 2.806 4.685 . 0 0 "[ . 1 . 2]" 1
448 1 54 ILE H 1 54 ILE MG 2.800 . 3.800 2.995 2.180 3.729 . 0 0 "[ . 1 . 2]" 1
449 1 54 ILE H 1 55 GLU H 3.400 . 5.000 2.523 2.479 2.560 . 0 0 "[ . 1 . 2]" 1
450 1 54 ILE H 1 55 GLU HA 3.400 . 5.000 5.147 5.101 5.174 0.174 20 0 "[ . 1 . 2]" 1
451 1 54 ILE HA 1 54 ILE HB 2.550 . 3.300 2.778 2.530 3.011 . 0 0 "[ . 1 . 2]" 1
452 1 54 ILE HA 1 54 ILE HG13 2.550 . 3.300 2.510 2.343 3.328 0.028 5 0 "[ . 1 . 2]" 1
453 1 54 ILE HA 1 55 GLU H 3.400 . 5.000 3.491 3.471 3.528 . 0 0 "[ . 1 . 2]" 1
454 1 54 ILE HA 1 55 GLU QB 3.400 . 5.000 5.154 5.138 5.178 0.178 15 0 "[ . 1 . 2]" 1
455 1 54 ILE HA 1 56 TYR H 3.400 . 5.000 5.013 4.902 5.081 0.081 8 0 "[ . 1 . 2]" 1
456 1 54 ILE HG13 1 55 GLU HA 3.900 . 6.000 5.714 4.645 6.104 0.104 12 0 "[ . 1 . 2]" 1
457 1 55 GLU H 1 55 GLU QB 2.550 . 3.300 2.183 2.073 2.256 . 0 0 "[ . 1 . 2]" 1
458 1 55 GLU H 1 56 TYR H 3.400 . 5.000 2.931 2.868 2.960 . 0 0 "[ . 1 . 2]" 1
459 1 55 GLU H 1 56 TYR QB 3.900 . 6.000 4.496 4.362 4.617 . 0 0 "[ . 1 . 2]" 1
460 1 55 GLU HA 1 55 GLU QG 2.550 . 3.300 2.301 2.167 2.502 . 0 0 "[ . 1 . 2]" 1
461 1 55 GLU HA 1 56 TYR QB 3.900 . 6.000 5.256 5.204 5.372 . 0 0 "[ . 1 . 2]" 1
462 1 55 GLU HA 1 57 ASN H 3.400 . 5.000 3.804 3.687 3.902 . 0 0 "[ . 1 . 2]" 1
463 1 55 GLU HA 1 58 VAL QG 2.800 . 3.800 3.143 2.877 3.534 . 0 0 "[ . 1 . 2]" 1
464 1 55 GLU QB 1 56 TYR H 2.550 . 3.300 2.028 1.971 2.137 . 0 0 "[ . 1 . 2]" 1
465 1 55 GLU QB 1 56 TYR QB 3.900 . 6.000 3.736 3.532 4.119 . 0 0 "[ . 1 . 2]" 1
466 1 55 GLU QG 1 59 GLU H 3.900 . 6.000 5.600 5.088 6.018 0.018 5 0 "[ . 1 . 2]" 1
467 1 56 TYR H 1 56 TYR QD 3.400 . 5.000 3.223 2.123 4.152 . 0 0 "[ . 1 . 2]" 1
468 1 56 TYR HA 1 56 TYR QB 2.550 . 3.300 2.473 2.241 2.539 . 0 0 "[ . 1 . 2]" 1
469 1 56 TYR QB 1 56 TYR QE 3.900 . 6.000 3.964 3.961 3.971 . 0 0 "[ . 1 . 2]" 1
470 1 56 TYR QB 1 57 ASN H 3.400 . 5.000 3.043 2.991 3.119 . 0 0 "[ . 1 . 2]" 1
471 1 56 TYR QD 1 57 ASN H 3.400 . 5.000 4.520 3.547 4.795 . 0 0 "[ . 1 . 2]" 1
472 1 56 TYR QD 1 58 VAL H 3.900 . 6.000 5.408 4.966 5.780 . 0 0 "[ . 1 . 2]" 1
473 1 56 TYR QD 1 59 GLU H 3.900 . 6.000 4.693 4.255 5.280 . 0 0 "[ . 1 . 2]" 1
474 1 57 ASN H 1 57 ASN QB 3.400 . 5.000 2.164 2.088 2.226 . 0 0 "[ . 1 . 2]" 1
475 1 57 ASN H 1 58 VAL H 2.550 . 3.300 2.711 2.655 2.847 . 0 0 "[ . 1 . 2]" 1
476 1 57 ASN HA 1 58 VAL H 3.400 . 5.000 3.478 3.426 3.517 . 0 0 "[ . 1 . 2]" 1
477 1 57 ASN HA 1 59 GLU H 3.900 . 6.000 4.637 4.433 4.818 . 0 0 "[ . 1 . 2]" 1
478 1 57 ASN QB 1 58 VAL H 3.400 . 5.000 2.975 2.724 3.567 . 0 0 "[ . 1 . 2]" 1
479 1 57 ASN QB 1 58 VAL HB 3.900 . 6.000 5.196 4.933 5.662 . 0 0 "[ . 1 . 2]" 1
480 1 57 ASN QB 1 58 VAL QG 3.650 . 5.500 3.455 3.184 4.323 . 0 0 "[ . 1 . 2]" 1
481 1 58 VAL H 1 58 VAL HA 2.550 . 3.300 2.805 2.788 2.843 . 0 0 "[ . 1 . 2]" 1
482 1 58 VAL H 1 58 VAL QG 2.500 . 3.200 2.118 1.770 2.424 0.030 9 0 "[ . 1 . 2]" 1
483 1 58 VAL H 1 59 GLU H 2.550 . 3.300 2.850 2.642 2.922 . 0 0 "[ . 1 . 2]" 1
484 1 58 VAL H 1 60 HIS H 3.900 . 6.000 4.311 4.028 4.437 . 0 0 "[ . 1 . 2]" 1
485 1 58 VAL H 1 61 ALA H 3.900 . 6.000 5.144 5.022 5.392 . 0 0 "[ . 1 . 2]" 1
486 1 58 VAL H 1 61 ALA MB 4.150 . 6.500 4.981 4.706 5.365 . 0 0 "[ . 1 . 2]" 1
487 1 58 VAL HA 1 58 VAL QG 2.500 . 3.200 2.076 2.042 2.282 . 0 0 "[ . 1 . 2]" 1
488 1 58 VAL HA 1 59 GLU H 3.400 . 5.000 3.569 3.554 3.576 . 0 0 "[ . 1 . 2]" 1
489 1 58 VAL HA 1 61 ALA H 3.400 . 5.000 3.543 3.456 3.680 . 0 0 "[ . 1 . 2]" 1
490 1 58 VAL HA 1 61 ALA MB 2.800 . 3.800 2.795 2.584 3.047 . 0 0 "[ . 1 . 2]" 1
491 1 58 VAL HA 1 62 VAL H 3.400 . 5.000 4.190 3.778 4.260 . 0 0 "[ . 1 . 2]" 1
492 1 58 VAL QG 1 59 GLU H 2.800 . 3.800 2.924 1.833 3.120 . 0 0 "[ . 1 . 2]" 1
493 1 58 VAL QG 1 60 HIS H 3.650 . 5.500 4.432 4.119 4.598 . 0 0 "[ . 1 . 2]" 1
494 1 58 VAL QG 1 61 ALA H 3.650 . 5.500 4.342 4.173 4.670 . 0 0 "[ . 1 . 2]" 1
495 1 58 VAL QG 1 61 ALA MB 2.750 . 3.700 3.347 3.150 3.794 0.094 9 0 "[ . 1 . 2]" 1
496 1 58 VAL QG 1 62 VAL QG 2.750 . 3.700 2.041 1.880 3.311 . 0 0 "[ . 1 . 2]" 1
497 1 59 GLU H 1 59 GLU HA 2.550 . 3.300 2.697 2.693 2.701 . 0 0 "[ . 1 . 2]" 1
498 1 59 GLU H 1 59 GLU QB 2.250 . 2.700 2.305 2.108 2.653 . 0 0 "[ . 1 . 2]" 1
499 1 59 GLU H 1 60 HIS H 2.550 . 3.300 3.032 2.936 3.106 . 0 0 "[ . 1 . 2]" 1
500 1 59 GLU H 1 60 HIS QB 3.900 . 6.000 4.826 4.612 5.142 . 0 0 "[ . 1 . 2]" 1
501 1 59 GLU H 1 61 ALA H 3.400 . 5.000 4.852 4.801 4.911 . 0 0 "[ . 1 . 2]" 1
502 1 59 GLU H 1 62 VAL H 3.400 . 5.000 4.843 4.772 5.087 0.087 4 0 "[ . 1 . 2]" 1
503 1 59 GLU HA 1 59 GLU QB 2.550 . 3.300 2.440 2.320 2.540 . 0 0 "[ . 1 . 2]" 1
504 1 59 GLU HA 1 59 GLU QG 2.250 . 2.700 2.318 2.143 2.460 . 0 0 "[ . 1 . 2]" 1
505 1 59 GLU HA 1 60 HIS H 3.400 . 5.000 3.563 3.541 3.584 . 0 0 "[ . 1 . 2]" 1
506 1 59 GLU HA 1 61 ALA H 3.900 . 6.000 5.102 4.979 5.201 . 0 0 "[ . 1 . 2]" 1
507 1 59 GLU HA 1 62 VAL H 3.400 . 5.000 3.732 3.614 4.099 . 0 0 "[ . 1 . 2]" 1
508 1 59 GLU HA 1 62 VAL QG 2.800 . 3.800 2.943 2.460 3.394 . 0 0 "[ . 1 . 2]" 1
509 1 59 GLU QB 1 60 HIS H 3.400 . 5.000 2.540 2.391 2.687 . 0 0 "[ . 1 . 2]" 1
510 1 60 HIS H 1 60 HIS HA 2.550 . 3.300 2.821 2.797 2.832 . 0 0 "[ . 1 . 2]" 1
511 1 60 HIS H 1 60 HIS QB 2.550 . 3.300 2.218 2.046 2.586 . 0 0 "[ . 1 . 2]" 1
512 1 60 HIS H 1 60 HIS HD2 3.400 . 5.000 4.254 2.849 5.011 0.011 6 0 "[ . 1 . 2]" 1
513 1 60 HIS H 1 61 ALA H 2.550 . 3.300 2.907 2.865 2.972 . 0 0 "[ . 1 . 2]" 1
514 1 60 HIS H 1 61 ALA MB 3.650 . 5.500 4.403 4.311 4.463 . 0 0 "[ . 1 . 2]" 1
515 1 60 HIS H 1 62 VAL H 3.400 . 5.000 3.890 3.742 4.543 . 0 0 "[ . 1 . 2]" 1
516 1 60 HIS HA 1 61 ALA H 3.400 . 5.000 3.573 3.566 3.585 . 0 0 "[ . 1 . 2]" 1
517 1 60 HIS HA 1 61 ALA MB 4.150 . 6.500 5.037 5.026 5.048 . 0 0 "[ . 1 . 2]" 1
518 1 60 HIS QB 1 61 ALA H 3.400 . 5.000 2.168 2.041 2.393 . 0 0 "[ . 1 . 2]" 1
519 1 60 HIS QB 1 62 VAL QG 3.650 . 5.500 5.321 5.085 5.562 0.062 1 0 "[ . 1 . 2]" 1
520 1 61 ALA H 1 61 ALA HA 2.550 . 3.300 2.771 2.731 2.790 . 0 0 "[ . 1 . 2]" 1
521 1 61 ALA H 1 61 ALA MB 2.500 . 3.200 2.120 2.021 2.222 . 0 0 "[ . 1 . 2]" 1
522 1 61 ALA H 1 62 VAL H 2.550 . 3.300 2.821 2.730 3.136 . 0 0 "[ . 1 . 2]" 1
523 1 61 ALA H 1 62 VAL HB 3.400 . 5.000 4.873 4.736 5.024 0.024 9 0 "[ . 1 . 2]" 1
524 1 61 ALA HA 1 62 VAL H 3.400 . 5.000 3.456 3.424 3.599 . 0 0 "[ . 1 . 2]" 1
525 1 61 ALA HA 1 62 VAL HA 3.900 . 6.000 4.723 4.689 4.864 . 0 0 "[ . 1 . 2]" 1
526 1 61 ALA HA 1 62 VAL QG 3.650 . 5.500 4.786 4.597 4.885 . 0 0 "[ . 1 . 2]" 1
527 1 61 ALA HA 1 64 TYR QB 3.400 . 5.000 2.974 2.343 3.706 . 0 0 "[ . 1 . 2]" 1
528 1 61 ALA HA 1 64 TYR QD 3.900 . 6.000 4.418 2.485 5.364 . 0 0 "[ . 1 . 2]" 1
529 1 61 ALA HA 1 65 VAL QG 3.650 . 5.500 3.492 2.880 4.441 . 0 0 "[ . 1 . 2]" 1
530 1 61 ALA MB 1 62 VAL H 2.500 . 3.200 2.928 2.233 3.083 . 0 0 "[ . 1 . 2]" 1
531 1 61 ALA MB 1 62 VAL HA 3.650 . 5.500 3.856 3.616 3.949 . 0 0 "[ . 1 . 2]" 1
532 1 61 ALA MB 1 62 VAL HB 3.650 . 5.500 4.650 4.331 4.902 . 0 0 "[ . 1 . 2]" 1
533 1 61 ALA MB 1 62 VAL QG 2.750 . 3.700 3.277 3.097 3.435 . 0 0 "[ . 1 . 2]" 1
534 1 61 ALA MB 1 64 TYR H 4.150 . 6.500 5.044 4.713 5.414 . 0 0 "[ . 1 . 2]" 1
535 1 61 ALA MB 1 64 TYR QB 3.650 . 5.500 4.296 3.908 4.873 . 0 0 "[ . 1 . 2]" 1
536 1 61 ALA MB 1 64 TYR QD 4.150 . 6.500 5.198 3.672 5.985 . 0 0 "[ . 1 . 2]" 1
537 1 61 ALA MB 1 65 VAL QG 3.050 . 4.300 3.183 2.389 3.979 . 0 0 "[ . 1 . 2]" 1
538 1 61 ALA MB 1 87 ILE HB 4.150 . 6.500 5.372 3.526 6.550 0.050 20 0 "[ . 1 . 2]" 1
539 1 61 ALA MB 1 87 ILE MD 3.650 . 5.500 4.222 2.799 4.895 . 0 0 "[ . 1 . 2]" 1
540 1 62 VAL H 1 62 VAL HB 2.550 . 3.300 2.327 2.246 2.493 . 0 0 "[ . 1 . 2]" 1
541 1 62 VAL H 1 62 VAL QG 2.500 . 3.200 2.552 2.081 2.713 . 0 0 "[ . 1 . 2]" 1
542 1 62 VAL H 1 63 ASP H 2.550 . 3.300 2.536 2.310 2.917 . 0 0 "[ . 1 . 2]" 1
543 1 62 VAL H 1 64 TYR H 3.400 . 5.000 4.122 3.625 4.969 . 0 0 "[ . 1 . 2]" 1
544 1 62 VAL H 1 65 VAL QG 3.650 . 5.500 4.425 3.835 4.769 . 0 0 "[ . 1 . 2]" 1
545 1 62 VAL HA 1 62 VAL QG 2.500 . 3.200 2.073 2.048 2.097 . 0 0 "[ . 1 . 2]" 1
546 1 62 VAL HB 1 63 ASP QB 3.400 . 5.000 4.244 3.884 4.764 . 0 0 "[ . 1 . 2]" 1
547 1 62 VAL QG 1 63 ASP H 2.500 . 3.200 2.920 2.555 3.244 0.044 1 0 "[ . 1 . 2]" 1
548 1 62 VAL QG 1 63 ASP HA 3.650 . 5.500 3.162 2.912 3.418 . 0 0 "[ . 1 . 2]" 1
549 1 62 VAL QG 1 63 ASP QB 3.650 . 5.500 3.909 3.529 4.348 . 0 0 "[ . 1 . 2]" 1
550 1 62 VAL QG 1 65 VAL QG 2.750 . 3.700 3.559 2.793 3.743 0.043 12 0 "[ . 1 . 2]" 1
551 1 63 ASP H 1 63 ASP HA 2.550 . 3.300 2.815 2.734 2.892 . 0 0 "[ . 1 . 2]" 1
552 1 63 ASP H 1 63 ASP QB 2.550 . 3.300 2.206 2.056 2.541 . 0 0 "[ . 1 . 2]" 1
553 1 63 ASP HA 1 63 ASP QB 2.550 . 3.300 2.431 2.163 2.538 . 0 0 "[ . 1 . 2]" 1
554 1 63 ASP HA 1 66 GLU H 3.900 . 6.000 3.709 3.280 4.406 . 0 0 "[ . 1 . 2]" 1
555 1 63 ASP QB 1 64 TYR H 2.550 . 3.300 2.405 2.075 2.947 . 0 0 "[ . 1 . 2]" 1
556 1 63 ASP QB 1 64 TYR QB 3.900 . 6.000 3.836 3.435 4.462 . 0 0 "[ . 1 . 2]" 1
557 1 63 ASP QB 1 66 GLU H 3.900 . 6.000 4.994 4.606 5.321 . 0 0 "[ . 1 . 2]" 1
558 1 64 TYR H 1 64 TYR QB 2.250 . 2.700 2.217 2.122 2.273 . 0 0 "[ . 1 . 2]" 1
559 1 64 TYR H 1 64 TYR QD 3.400 . 5.000 4.080 3.778 4.187 . 0 0 "[ . 1 . 2]" 1
560 1 64 TYR H 1 65 VAL HA 3.900 . 6.000 5.413 5.119 5.626 . 0 0 "[ . 1 . 2]" 1
561 1 64 TYR H 1 66 GLU H 3.900 . 6.000 4.231 3.725 4.612 . 0 0 "[ . 1 . 2]" 1
562 1 64 TYR HA 1 64 TYR QB 2.550 . 3.300 2.385 2.232 2.488 . 0 0 "[ . 1 . 2]" 1
563 1 64 TYR HA 1 64 TYR QD 3.400 . 5.000 2.765 2.535 3.032 . 0 0 "[ . 1 . 2]" 1
564 1 64 TYR HA 1 65 VAL H 3.400 . 5.000 3.537 3.455 3.576 . 0 0 "[ . 1 . 2]" 1
565 1 64 TYR HA 1 65 VAL QG 4.150 . 6.500 4.790 4.307 4.962 . 0 0 "[ . 1 . 2]" 1
566 1 64 TYR HA 1 66 GLU H 3.900 . 6.000 4.429 3.689 5.006 . 0 0 "[ . 1 . 2]" 1
567 1 64 TYR QB 1 64 TYR QE 3.900 . 6.000 3.964 3.960 3.971 . 0 0 "[ . 1 . 2]" 1
568 1 64 TYR QB 1 65 VAL H 2.550 . 3.300 2.359 1.952 3.044 . 0 0 "[ . 1 . 2]" 1
569 1 64 TYR QB 1 65 VAL QG 3.650 . 5.500 3.207 2.703 4.084 . 0 0 "[ . 1 . 2]" 1
570 1 64 TYR QB 1 66 GLU H 3.900 . 6.000 4.667 4.127 5.265 . 0 0 "[ . 1 . 2]" 1
571 1 64 TYR QD 1 65 VAL H 3.400 . 5.000 3.332 2.233 4.009 . 0 0 "[ . 1 . 2]" 1
572 1 64 TYR QD 1 65 VAL HA 3.900 . 6.000 3.275 2.808 3.995 . 0 0 "[ . 1 . 2]" 1
573 1 64 TYR QD 1 65 VAL QG 2.800 . 3.800 3.059 2.336 3.639 . 0 0 "[ . 1 . 2]" 1
574 1 64 TYR QD 1 66 GLU H 3.900 . 6.000 5.369 4.760 5.880 . 0 0 "[ . 1 . 2]" 1
575 1 64 TYR QE 1 65 VAL QG 4.150 . 6.500 4.509 3.597 5.336 . 0 0 "[ . 1 . 2]" 1
576 1 65 VAL H 1 65 VAL HA 2.550 . 3.300 2.780 2.724 2.908 . 0 0 "[ . 1 . 2]" 1
577 1 65 VAL H 1 65 VAL QG 2.500 . 3.200 2.288 1.802 2.732 . 0 0 "[ . 1 . 2]" 1
578 1 65 VAL H 1 66 GLU H 3.400 . 5.000 2.806 2.454 3.136 . 0 0 "[ . 1 . 2]" 1
579 1 65 VAL HA 1 65 VAL QG 2.500 . 3.200 2.117 2.042 2.319 . 0 0 "[ . 1 . 2]" 1
580 1 65 VAL HA 1 66 GLU H 3.400 . 5.000 3.539 3.445 3.583 . 0 0 "[ . 1 . 2]" 1
581 1 65 VAL HA 1 68 ALA H 3.400 . 5.000 3.276 2.945 3.707 . 0 0 "[ . 1 . 2]" 1
582 1 65 VAL HA 1 68 ALA HA 3.900 . 6.000 5.188 4.658 5.869 . 0 0 "[ . 1 . 2]" 1
583 1 65 VAL HA 1 68 ALA MB 2.800 . 3.800 2.533 2.077 3.461 . 0 0 "[ . 1 . 2]" 1
584 1 65 VAL HB 1 68 ALA MB 3.650 . 5.500 4.801 2.783 5.500 . 0 0 "[ . 1 . 2]" 1
585 1 65 VAL QG 1 66 GLU H 2.800 . 3.800 2.828 1.935 3.336 . 0 0 "[ . 1 . 2]" 1
586 1 65 VAL QG 1 68 ALA H 3.650 . 5.500 3.990 3.661 4.294 . 0 0 "[ . 1 . 2]" 1
587 1 65 VAL QG 1 68 ALA MB 2.750 . 3.700 3.108 2.714 3.512 . 0 0 "[ . 1 . 2]" 1
588 1 65 VAL QG 1 87 ILE MD 3.650 . 5.500 3.694 2.205 5.064 . 0 0 "[ . 1 . 2]" 1
589 1 65 VAL QG 1 90 ILE HB 3.650 . 5.500 3.143 2.392 3.811 . 0 0 "[ . 1 . 2]" 1
590 1 66 GLU H 1 66 GLU QB 2.550 . 3.300 2.230 2.073 2.541 . 0 0 "[ . 1 . 2]" 1
591 1 66 GLU H 1 66 GLU QG 3.900 . 6.000 3.377 2.086 4.031 . 0 0 "[ . 1 . 2]" 1
592 1 66 GLU H 1 67 ARG H 3.400 . 5.000 2.891 2.605 3.159 . 0 0 "[ . 1 . 2]" 1
593 1 66 GLU H 1 67 ARG QB 3.900 . 6.000 4.705 4.476 5.122 . 0 0 "[ . 1 . 2]" 1
594 1 66 GLU H 1 68 ALA H 3.900 . 6.000 4.010 3.765 4.532 . 0 0 "[ . 1 . 2]" 1
595 1 66 GLU H 1 68 ALA MB 4.150 . 6.500 4.742 4.480 5.424 . 0 0 "[ . 1 . 2]" 1
596 1 66 GLU HA 1 66 GLU QG 2.550 . 3.300 2.291 2.178 2.455 . 0 0 "[ . 1 . 2]" 1
597 1 66 GLU HA 1 67 ARG H 3.400 . 5.000 3.551 3.480 3.579 . 0 0 "[ . 1 . 2]" 1
598 1 66 GLU HA 1 69 VAL QG 2.800 . 3.800 2.432 2.054 3.430 . 0 0 "[ . 1 . 2]" 1
599 1 66 GLU QB 1 66 GLU QG 2.250 . 2.700 2.077 2.007 2.109 . 0 0 "[ . 1 . 2]" 1
600 1 66 GLU QB 1 67 ARG H 3.400 . 5.000 2.473 2.141 2.869 . 0 0 "[ . 1 . 2]" 1
601 1 66 GLU QB 1 67 ARG HA 3.400 . 5.000 3.933 3.637 4.368 . 0 0 "[ . 1 . 2]" 1
602 1 66 GLU QB 1 69 VAL QG 3.650 . 5.500 4.059 3.550 4.883 . 0 0 "[ . 1 . 2]" 1
603 1 67 ARG H 1 67 ARG HA 2.550 . 3.300 2.828 2.725 2.903 . 0 0 "[ . 1 . 2]" 1
604 1 67 ARG H 1 67 ARG QB 2.250 . 2.700 2.290 2.101 2.635 . 0 0 "[ . 1 . 2]" 1
605 1 67 ARG H 1 67 ARG QD 3.400 . 5.000 3.689 1.889 4.618 . 0 0 "[ . 1 . 2]" 1
606 1 67 ARG H 1 67 ARG QG 3.400 . 5.000 3.179 1.795 4.060 0.005 10 0 "[ . 1 . 2]" 1
607 1 67 ARG HA 1 67 ARG QB 2.550 . 3.300 2.411 2.166 2.517 . 0 0 "[ . 1 . 2]" 1
608 1 67 ARG HA 1 67 ARG QD 3.400 . 5.000 3.277 2.126 4.519 . 0 0 "[ . 1 . 2]" 1
609 1 67 ARG HA 1 67 ARG QG 2.550 . 3.300 2.444 2.217 3.297 . 0 0 "[ . 1 . 2]" 1
610 1 67 ARG QB 1 67 ARG QD 2.250 . 2.700 2.263 2.101 2.507 . 0 0 "[ . 1 . 2]" 1
611 1 67 ARG QB 1 67 ARG HE 3.900 . 6.000 3.170 1.887 4.223 . 0 0 "[ . 1 . 2]" 1
612 1 67 ARG QB 1 68 ALA H 2.550 . 3.300 2.902 2.553 3.454 0.154 19 0 "[ . 1 . 2]" 1
613 1 67 ARG QB 1 68 ALA MB 3.650 . 5.500 3.892 3.596 4.626 . 0 0 "[ . 1 . 2]" 1
614 1 67 ARG QD 1 67 ARG QG 2.250 . 2.700 2.056 2.009 2.105 . 0 0 "[ . 1 . 2]" 1
615 1 67 ARG QD 1 68 ALA H 3.900 . 6.000 4.602 3.128 5.257 . 0 0 "[ . 1 . 2]" 1
616 1 67 ARG QD 1 69 VAL QG 4.150 . 6.500 6.173 5.341 6.556 0.056 19 0 "[ . 1 . 2]" 1
617 1 67 ARG QG 1 68 ALA H 3.900 . 6.000 4.031 1.790 4.723 0.010 5 0 "[ . 1 . 2]" 1
618 1 67 ARG QG 1 70 SER H 3.900 . 6.000 5.493 5.016 6.037 0.037 10 0 "[ . 1 . 2]" 1
619 1 68 ALA H 1 68 ALA MB 2.500 . 3.200 2.178 2.065 2.275 . 0 0 "[ . 1 . 2]" 1
620 1 68 ALA H 1 69 VAL HB 3.900 . 6.000 4.829 4.354 6.020 0.020 9 0 "[ . 1 . 2]" 1
621 1 68 ALA HA 1 69 VAL QG 3.650 . 5.500 4.629 4.234 4.867 . 0 0 "[ . 1 . 2]" 1
622 1 68 ALA HA 1 71 ASP QB 3.900 . 6.000 3.366 2.561 4.673 . 0 0 "[ . 1 . 2]" 1
623 1 68 ALA MB 1 69 VAL QG 3.050 . 4.300 3.290 2.413 4.258 . 0 0 "[ . 1 . 2]" 1
624 1 68 ALA MB 1 70 SER H 4.150 . 6.500 4.593 4.123 4.919 . 0 0 "[ . 1 . 2]" 1
625 1 69 VAL HA 1 69 VAL QG 2.800 . 3.800 2.122 2.048 2.257 . 0 0 "[ . 1 . 2]" 1
626 1 69 VAL HA 1 70 SER H 3.400 . 5.000 3.545 3.464 3.576 . 0 0 "[ . 1 . 2]" 1
627 1 69 VAL HB 1 70 SER H 3.400 . 5.000 2.897 2.084 4.003 . 0 0 "[ . 1 . 2]" 1
628 1 69 VAL QG 1 70 SER H 2.800 . 3.800 2.648 1.779 3.426 0.021 4 0 "[ . 1 . 2]" 1
629 1 69 VAL QG 1 70 SER HA 4.150 . 6.500 3.320 2.838 3.914 . 0 0 "[ . 1 . 2]" 1
630 1 69 VAL QG 1 72 THR HB 4.150 . 6.500 4.202 3.195 5.490 . 0 0 "[ . 1 . 2]" 1
631 1 70 SER H 1 70 SER QB 2.550 . 3.300 2.330 2.066 2.888 . 0 0 "[ . 1 . 2]" 1
632 1 70 SER H 1 71 ASP H 3.400 . 5.000 2.781 2.516 2.991 . 0 0 "[ . 1 . 2]" 1
633 1 70 SER H 1 72 THR H 3.900 . 6.000 4.565 4.121 5.048 . 0 0 "[ . 1 . 2]" 1
634 1 70 SER HA 1 70 SER QB 2.250 . 2.700 2.325 2.157 2.540 . 0 0 "[ . 1 . 2]" 1
635 1 70 SER HA 1 73 LYS QB 3.400 . 5.000 3.165 2.224 4.573 . 0 0 "[ . 1 . 2]" 1
636 1 71 ASP H 1 71 ASP QB 3.400 . 5.000 2.239 2.044 2.622 . 0 0 "[ . 1 . 2]" 1
637 1 71 ASP H 1 72 THR H 2.250 . 2.700 2.565 2.273 2.723 0.023 5 0 "[ . 1 . 2]" 1
638 1 71 ASP QB 1 72 THR H 3.400 . 5.000 2.561 2.102 3.173 . 0 0 "[ . 1 . 2]" 1
639 1 71 ASP QB 1 72 THR HA 3.400 . 5.000 3.991 3.664 4.592 . 0 0 "[ . 1 . 2]" 1
640 1 72 THR H 1 72 THR HA 2.550 . 3.300 2.866 2.742 2.905 . 0 0 "[ . 1 . 2]" 1
641 1 72 THR H 1 72 THR MG 2.800 . 3.800 2.997 2.210 3.770 . 0 0 "[ . 1 . 2]" 1
642 1 72 THR H 1 73 LYS H 2.550 . 3.300 2.627 2.335 3.103 . 0 0 "[ . 1 . 2]" 1
643 1 72 THR H 1 73 LYS QB 3.400 . 5.000 4.489 4.036 5.051 0.051 10 0 "[ . 1 . 2]" 1
644 1 72 THR HA 1 72 THR MG 2.800 . 3.800 2.358 2.140 3.162 . 0 0 "[ . 1 . 2]" 1
645 1 72 THR MG 1 73 LYS H 3.650 . 5.500 3.511 2.027 4.308 . 0 0 "[ . 1 . 2]" 1
646 1 73 LYS H 1 73 LYS QD 3.400 . 5.000 4.118 3.008 4.609 . 0 0 "[ . 1 . 2]" 1
647 1 73 LYS H 1 73 LYS QE 3.900 . 6.000 4.642 2.592 5.397 . 0 0 "[ . 1 . 2]" 1
648 1 73 LYS H 1 74 LYS H 2.550 . 3.300 2.749 2.320 3.031 . 0 0 "[ . 1 . 2]" 1
649 1 73 LYS HA 1 73 LYS QD 3.400 . 5.000 3.632 2.228 4.484 . 0 0 "[ . 1 . 2]" 1
650 1 73 LYS HA 1 73 LYS QE 3.900 . 6.000 3.863 2.090 4.441 . 0 0 "[ . 1 . 2]" 1
651 1 73 LYS HA 1 73 LYS QG 2.550 . 3.300 2.375 2.140 3.304 0.004 3 0 "[ . 1 . 2]" 1
652 1 73 LYS QB 1 73 LYS QE 2.550 . 3.300 2.594 2.102 3.520 0.220 17 0 "[ . 1 . 2]" 1
653 1 73 LYS QB 1 73 LYS QG 2.250 . 2.700 2.085 2.032 2.109 . 0 0 "[ . 1 . 2]" 1
654 1 73 LYS QE 1 73 LYS QG 2.250 . 2.700 2.223 2.086 2.481 . 0 0 "[ . 1 . 2]" 1
655 1 74 LYS H 1 74 LYS HA 2.550 . 3.300 2.337 2.297 2.958 . 0 0 "[ . 1 . 2]" 1
656 1 74 LYS H 1 74 LYS QB 2.550 . 3.300 2.970 2.427 3.085 . 0 0 "[ . 1 . 2]" 1
657 1 74 LYS H 1 75 ALA H 2.250 . 2.700 2.689 2.143 2.773 0.073 7 0 "[ . 1 . 2]" 1
658 1 74 LYS HA 1 74 LYS QB 2.550 . 3.300 2.483 2.397 2.528 . 0 0 "[ . 1 . 2]" 1
659 1 74 LYS QB 1 75 ALA H 2.550 . 3.300 3.328 3.150 3.427 0.127 3 0 "[ . 1 . 2]" 1
660 1 74 LYS QB 1 75 ALA HA 3.900 . 6.000 4.555 3.980 5.036 . 0 0 "[ . 1 . 2]" 1
661 1 74 LYS QD 1 74 LYS QE 2.250 . 2.700 2.055 1.998 2.106 . 0 0 "[ . 1 . 2]" 1
662 1 74 LYS QD 1 74 LYS QG 2.250 . 2.700 2.094 2.047 2.109 . 0 0 "[ . 1 . 2]" 1
663 1 75 ALA H 1 75 ALA HA 2.250 . 2.700 2.659 2.316 2.846 0.146 13 0 "[ . 1 . 2]" 1
664 1 75 ALA H 1 75 ALA MB 2.500 . 3.200 2.669 2.032 3.030 . 0 0 "[ . 1 . 2]" 1
665 1 75 ALA HA 1 76 VAL HA 3.900 . 6.000 4.461 4.308 4.863 . 0 0 "[ . 1 . 2]" 1
666 1 75 ALA HA 1 76 VAL HB 3.900 . 6.000 5.175 4.626 5.940 . 0 0 "[ . 1 . 2]" 1
667 1 75 ALA MB 1 76 VAL H 2.800 . 3.800 2.775 1.782 3.693 0.018 6 0 "[ . 1 . 2]" 1
668 1 75 ALA MB 1 76 VAL HA 4.150 . 6.500 4.190 3.753 5.034 . 0 0 "[ . 1 . 2]" 1
669 1 76 VAL H 1 76 VAL HA 2.550 . 3.300 2.826 2.294 2.955 . 0 0 "[ . 1 . 2]" 1
670 1 76 VAL H 1 76 VAL QG 2.500 . 3.200 2.377 1.787 3.105 0.013 12 0 "[ . 1 . 2]" 1
671 1 76 VAL H 1 77 LYS H 2.550 . 3.300 2.811 1.689 3.456 0.156 7 0 "[ . 1 . 2]" 1
672 1 76 VAL H 1 77 LYS QB 3.400 . 5.000 4.404 3.519 5.033 0.033 2 0 "[ . 1 . 2]" 1
673 1 76 VAL HA 1 76 VAL HB 2.550 . 3.300 2.844 2.383 3.028 . 0 0 "[ . 1 . 2]" 1
674 1 76 VAL HA 1 76 VAL QG 2.500 . 3.200 2.122 2.039 2.331 . 0 0 "[ . 1 . 2]" 1
675 1 76 VAL HA 1 77 LYS H 2.550 . 3.300 3.016 2.263 3.540 0.240 18 0 "[ . 1 . 2]" 1
676 1 76 VAL HA 1 77 LYS QB 3.400 . 5.000 4.507 3.734 5.095 0.095 8 0 "[ . 1 . 2]" 1
677 1 76 VAL HB 1 77 LYS H 3.400 . 5.000 3.378 1.808 4.658 . 0 0 "[ . 1 . 2]" 1
678 1 76 VAL HB 1 77 LYS QG 3.400 . 5.000 4.641 3.896 5.088 0.088 7 0 "[ . 1 . 2]" 1
679 1 76 VAL QG 1 77 LYS H 2.800 . 3.800 3.108 1.794 3.737 0.006 17 0 "[ . 1 . 2]" 1
680 1 76 VAL QG 1 78 TYR QB 4.150 . 6.500 4.819 2.198 6.546 0.046 4 0 "[ . 1 . 2]" 1
681 1 77 LYS H 1 77 LYS HA 2.550 . 3.300 2.508 2.283 2.898 . 0 0 "[ . 1 . 2]" 1
682 1 77 LYS H 1 77 LYS QB 2.550 . 3.300 2.971 2.091 3.417 0.117 20 0 "[ . 1 . 2]" 1
683 1 77 LYS H 1 77 LYS QG 3.400 . 5.000 3.099 2.291 4.246 . 0 0 "[ . 1 . 2]" 1
684 1 77 LYS H 1 78 TYR QB 3.900 . 6.000 4.977 4.126 6.002 0.002 19 0 "[ . 1 . 2]" 1
685 1 77 LYS H 1 78 TYR QD 3.900 . 6.000 5.582 4.369 6.071 0.071 10 0 "[ . 1 . 2]" 1
686 1 77 LYS HA 1 77 LYS QB 2.250 . 2.700 2.380 2.152 2.540 . 0 0 "[ . 1 . 2]" 1
687 1 77 LYS HA 1 77 LYS QG 3.400 . 5.000 2.465 2.137 3.256 . 0 0 "[ . 1 . 2]" 1
688 1 77 LYS QB 1 77 LYS QE 3.400 . 5.000 3.253 2.032 3.790 . 0 0 "[ . 1 . 2]" 1
689 1 77 LYS QB 1 78 TYR HA 3.400 . 5.000 4.309 3.723 5.066 0.066 4 0 "[ . 1 . 2]" 1
690 1 77 LYS QB 1 78 TYR QB 3.900 . 6.000 4.378 3.017 5.343 . 0 0 "[ . 1 . 2]" 1
691 1 77 LYS QB 1 78 TYR QD 3.900 . 6.000 5.043 3.857 6.017 0.017 13 0 "[ . 1 . 2]" 1
692 1 77 LYS QD 1 77 LYS QE 2.250 . 2.700 2.036 1.984 2.107 . 0 0 "[ . 1 . 2]" 1
693 1 77 LYS QD 1 77 LYS QG 2.250 . 2.700 2.078 2.015 2.108 . 0 0 "[ . 1 . 2]" 1
694 1 77 LYS QE 1 77 LYS QG 2.550 . 3.300 2.300 2.107 2.520 . 0 0 "[ . 1 . 2]" 1
695 1 77 LYS QG 1 78 TYR QB 3.900 . 6.000 5.088 3.314 6.002 0.002 15 0 "[ . 1 . 2]" 1
696 1 78 TYR H 1 78 TYR HA 2.550 . 3.300 2.841 2.291 2.958 . 0 0 "[ . 1 . 2]" 1
697 1 78 TYR HA 1 78 TYR QB 2.550 . 3.300 2.290 2.153 2.540 . 0 0 "[ . 1 . 2]" 1
698 1 78 TYR HA 1 78 TYR QD 2.550 . 3.300 3.102 2.454 3.642 0.342 12 0 "[ . 1 . 2]" 1
699 1 78 TYR HA 1 79 GLN H 2.550 . 3.300 2.599 2.148 3.443 0.143 10 0 "[ . 1 . 2]" 1
700 1 78 TYR QB 1 78 TYR QD 2.550 . 3.300 2.159 2.145 2.203 . 0 0 "[ . 1 . 2]" 1
701 1 78 TYR QB 1 78 TYR QE 3.900 . 6.000 3.967 3.959 3.987 . 0 0 "[ . 1 . 2]" 1
702 1 78 TYR QB 1 79 GLN H 3.400 . 5.000 3.212 1.947 4.030 . 0 0 "[ . 1 . 2]" 1
703 1 78 TYR QB 1 79 GLN HA 3.900 . 6.000 4.734 3.892 5.474 . 0 0 "[ . 1 . 2]" 1
704 1 78 TYR QD 1 79 GLN H 3.900 . 6.000 2.878 1.842 4.367 . 0 0 "[ . 1 . 2]" 1
705 1 78 TYR QE 1 79 GLN H 3.900 . 6.000 4.509 3.528 5.729 . 0 0 "[ . 1 . 2]" 1
706 1 78 TYR QE 1 79 GLN QG 3.400 . 5.000 4.529 2.681 5.190 0.190 10 0 "[ . 1 . 2]" 1
707 1 79 GLN H 1 79 GLN HA 2.550 . 3.300 2.668 2.298 2.958 . 0 0 "[ . 1 . 2]" 1
708 1 79 GLN H 1 79 GLN QE 3.900 . 6.000 4.562 2.690 5.578 . 0 0 "[ . 1 . 2]" 1
709 1 79 GLN H 1 79 GLN QG 3.400 . 5.000 3.267 1.884 4.309 . 0 0 "[ . 1 . 2]" 1
710 1 79 GLN HA 1 79 GLN QB 2.550 . 3.300 2.399 2.180 2.542 . 0 0 "[ . 1 . 2]" 1
711 1 79 GLN HA 1 79 GLN QE 3.900 . 6.000 3.871 1.987 4.770 . 0 0 "[ . 1 . 2]" 1
712 1 79 GLN HA 1 79 GLN QG 2.550 . 3.300 2.491 2.135 3.342 0.042 12 0 "[ . 1 . 2]" 1
713 1 79 GLN HA 1 80 SER H 2.550 . 3.300 2.557 2.181 3.396 0.096 11 0 "[ . 1 . 2]" 1
714 1 79 GLN QB 1 79 GLN QG 2.250 . 2.700 2.072 2.015 2.108 . 0 0 "[ . 1 . 2]" 1
715 1 79 GLN QB 1 80 SER H 3.400 . 5.000 2.691 1.791 4.015 0.009 11 0 "[ . 1 . 2]" 1
716 1 79 GLN QE 1 79 GLN QG 2.250 . 2.700 2.358 2.180 2.683 . 0 0 "[ . 1 . 2]" 1
717 1 80 SER H 1 80 SER QB 2.550 . 3.300 2.814 2.146 3.275 . 0 0 "[ . 1 . 2]" 1
718 1 80 SER H 1 81 LYS H 3.900 . 6.000 3.074 1.816 4.367 . 0 0 "[ . 1 . 2]" 1
719 1 80 SER HA 1 80 SER QB 2.550 . 3.300 2.288 2.159 2.503 . 0 0 "[ . 1 . 2]" 1
720 1 80 SER HA 1 81 LYS QG 4.150 . 6.500 5.229 3.613 6.501 0.001 14 0 "[ . 1 . 2]" 1
721 1 80 SER HA 1 83 ARG QB 3.400 . 5.000 3.942 2.239 5.152 0.152 9 0 "[ . 1 . 2]" 1
722 1 80 SER HA 1 83 ARG QG 3.900 . 6.000 4.806 2.608 6.003 0.003 3 0 "[ . 1 . 2]" 1
723 1 81 LYS H 1 81 LYS QD 3.900 . 6.000 3.584 1.792 4.474 0.008 18 0 "[ . 1 . 2]" 1
724 1 81 LYS H 1 81 LYS QG 4.150 . 6.500 2.856 1.822 4.018 . 0 0 "[ . 1 . 2]" 1
725 1 81 LYS H 1 82 ALA H 3.900 . 6.000 2.763 2.473 2.989 . 0 0 "[ . 1 . 2]" 1
726 1 81 LYS HA 1 81 LYS QG 2.550 . 3.300 2.332 2.175 2.545 . 0 0 "[ . 1 . 2]" 1
727 1 81 LYS QB 1 82 ALA H 2.250 . 2.700 2.536 2.282 2.869 0.169 18 0 "[ . 1 . 2]" 1
728 1 82 ALA H 1 82 ALA HA 2.550 . 3.300 2.747 2.715 2.914 . 0 0 "[ . 1 . 2]" 1
729 1 82 ALA H 1 82 ALA MB 2.500 . 3.200 2.133 2.028 2.290 . 0 0 "[ . 1 . 2]" 1
730 1 82 ALA H 1 83 ARG H 3.400 . 5.000 2.807 2.263 2.969 . 0 0 "[ . 1 . 2]" 1
731 1 82 ALA HA 1 85 LYS QB 3.400 . 5.000 2.423 2.154 3.483 . 0 0 "[ . 1 . 2]" 1
732 1 82 ALA HA 1 85 LYS QD 3.400 . 5.000 4.762 3.699 5.042 0.042 19 0 "[ . 1 . 2]" 1
733 1 82 ALA HA 1 85 LYS QE 3.900 . 6.000 4.478 3.272 5.857 . 0 0 "[ . 1 . 2]" 1
734 1 82 ALA HA 1 86 LYS H 3.900 . 6.000 3.921 3.224 5.771 . 0 0 "[ . 1 . 2]" 1
735 1 83 ARG HA 1 83 ARG QB 2.550 . 3.300 2.433 2.187 2.537 . 0 0 "[ . 1 . 2]" 1
736 1 83 ARG HA 1 83 ARG QG 2.550 . 3.300 2.351 2.139 3.323 0.023 9 0 "[ . 1 . 2]" 1
737 1 83 ARG QB 1 83 ARG QD 2.250 . 2.700 2.277 2.099 2.653 . 0 0 "[ . 1 . 2]" 1
738 1 83 ARG QB 1 84 ARG H 2.550 . 3.300 2.334 2.045 3.122 . 0 0 "[ . 1 . 2]" 1
739 1 83 ARG QD 1 83 ARG QG 2.250 . 2.700 2.036 1.937 2.104 . 0 0 "[ . 1 . 2]" 1
740 1 84 ARG H 1 85 LYS H 2.550 . 3.300 2.533 2.430 2.692 . 0 0 "[ . 1 . 2]" 1
741 1 85 LYS H 1 85 LYS HA 2.550 . 3.300 2.851 2.710 2.895 . 0 0 "[ . 1 . 2]" 1
742 1 85 LYS H 1 85 LYS QB 2.250 . 2.700 2.185 2.057 2.634 . 0 0 "[ . 1 . 2]" 1
743 1 85 LYS H 1 86 LYS H 2.550 . 3.300 2.545 2.408 2.891 . 0 0 "[ . 1 . 2]" 1
744 1 85 LYS HA 1 85 LYS QB 2.550 . 3.300 2.483 2.285 2.544 . 0 0 "[ . 1 . 2]" 1
745 1 85 LYS HA 1 85 LYS QG 3.400 . 5.000 2.344 2.294 2.577 . 0 0 "[ . 1 . 2]" 1
746 1 85 LYS HA 1 86 LYS H 3.400 . 5.000 3.509 3.476 3.535 . 0 0 "[ . 1 . 2]" 1
747 1 85 LYS HA 1 88 MET QG 3.900 . 6.000 3.785 2.372 5.034 . 0 0 "[ . 1 . 2]" 1
748 1 85 LYS QB 1 85 LYS QE 2.550 . 3.300 2.732 2.034 3.350 0.050 4 0 "[ . 1 . 2]" 1
749 1 85 LYS QB 1 85 LYS QG 2.250 . 2.700 2.044 2.024 2.094 . 0 0 "[ . 1 . 2]" 1
750 1 85 LYS QB 1 86 LYS QG 3.400 . 5.000 4.288 3.602 5.098 0.098 19 0 "[ . 1 . 2]" 1
751 1 85 LYS QB 1 88 MET H 3.400 . 5.000 4.700 4.339 4.979 . 0 0 "[ . 1 . 2]" 1
752 1 85 LYS QD 1 85 LYS QE 2.250 . 2.700 2.059 2.004 2.108 . 0 0 "[ . 1 . 2]" 1
753 1 85 LYS QD 1 88 MET QG 3.400 . 5.000 4.171 2.623 5.070 0.070 19 0 "[ . 1 . 2]" 1
754 1 85 LYS QE 1 85 LYS QG 2.550 . 3.300 2.273 2.098 2.529 . 0 0 "[ . 1 . 2]" 1
755 1 86 LYS H 1 86 LYS QB 2.550 . 3.300 2.165 2.042 2.503 . 0 0 "[ . 1 . 2]" 1
756 1 86 LYS H 1 86 LYS QD 3.400 . 5.000 3.644 2.183 4.647 . 0 0 "[ . 1 . 2]" 1
757 1 86 LYS H 1 86 LYS QE 3.900 . 6.000 4.749 3.715 5.733 . 0 0 "[ . 1 . 2]" 1
758 1 86 LYS H 1 86 LYS QG 3.400 . 5.000 3.036 2.250 3.829 . 0 0 "[ . 1 . 2]" 1
759 1 86 LYS H 1 87 ILE H 3.400 . 5.000 2.832 2.716 2.941 . 0 0 "[ . 1 . 2]" 1
760 1 86 LYS H 1 87 ILE HA 3.900 . 6.000 5.397 5.304 5.458 . 0 0 "[ . 1 . 2]" 1
761 1 86 LYS H 1 89 ILE H 3.900 . 6.000 4.685 4.585 4.813 . 0 0 "[ . 1 . 2]" 1
762 1 86 LYS H 1 89 ILE MD 3.650 . 5.500 3.866 3.341 5.593 0.093 2 0 "[ . 1 . 2]" 1
763 1 86 LYS HA 1 86 LYS QB 2.550 . 3.300 2.488 2.176 2.544 . 0 0 "[ . 1 . 2]" 1
764 1 86 LYS HA 1 86 LYS QD 3.400 . 5.000 3.138 2.209 4.281 . 0 0 "[ . 1 . 2]" 1
765 1 86 LYS HA 1 86 LYS QE 3.400 . 5.000 4.132 2.507 5.224 0.224 15 0 "[ . 1 . 2]" 1
766 1 86 LYS HA 1 86 LYS QG 3.400 . 5.000 2.292 2.133 3.288 . 0 0 "[ . 1 . 2]" 1
767 1 86 LYS HA 1 89 ILE H 3.400 . 5.000 3.023 2.883 3.201 . 0 0 "[ . 1 . 2]" 1
768 1 86 LYS QB 1 86 LYS QD 2.250 . 2.700 2.198 2.104 2.343 . 0 0 "[ . 1 . 2]" 1
769 1 86 LYS QB 1 87 ILE H 2.550 . 3.300 2.660 2.352 3.372 0.072 15 0 "[ . 1 . 2]" 1
770 1 86 LYS QD 1 86 LYS QG 2.250 . 2.700 2.088 2.025 2.109 . 0 0 "[ . 1 . 2]" 1
771 1 86 LYS QD 1 87 ILE H 3.400 . 5.000 4.716 4.033 5.069 0.069 4 0 "[ . 1 . 2]" 1
772 1 86 LYS QE 1 86 LYS QG 2.550 . 3.300 2.282 2.084 2.564 . 0 0 "[ . 1 . 2]" 1
773 1 87 ILE H 1 87 ILE HB 2.550 . 3.300 2.674 2.049 3.560 0.260 7 0 "[ . 1 . 2]" 1
774 1 87 ILE H 1 87 ILE MD 2.800 . 3.800 3.238 1.813 3.832 0.032 13 0 "[ . 1 . 2]" 1
775 1 87 ILE H 1 87 ILE HG13 3.400 . 5.000 3.193 2.223 4.261 . 0 0 "[ . 1 . 2]" 1
776 1 87 ILE H 1 88 MET H 2.250 . 2.700 2.751 2.718 2.794 0.094 4 0 "[ . 1 . 2]" 1
777 1 87 ILE HA 1 87 ILE HB 2.550 . 3.300 2.757 2.246 3.015 . 0 0 "[ . 1 . 2]" 1
778 1 87 ILE HA 1 87 ILE HG13 2.550 . 3.300 2.776 2.322 3.602 0.302 19 0 "[ . 1 . 2]" 1
779 1 87 ILE HG13 1 88 MET H 3.650 . 5.500 4.105 1.800 5.069 . 0 0 "[ . 1 . 2]" 1
780 1 88 MET H 1 88 MET QB 2.550 . 3.300 2.340 2.100 2.750 . 0 0 "[ . 1 . 2]" 1
781 1 88 MET H 1 88 MET QG 3.400 . 5.000 2.839 1.829 4.013 . 0 0 "[ . 1 . 2]" 1
782 1 88 MET H 1 89 ILE HA 3.400 . 5.000 5.052 5.028 5.107 0.107 19 0 "[ . 1 . 2]" 1
783 1 88 MET HA 1 88 MET QG 3.400 . 5.000 2.361 2.133 2.640 . 0 0 "[ . 1 . 2]" 1
784 1 88 MET QG 1 91 ILE MD 3.650 . 5.500 5.248 4.832 5.819 0.319 19 0 "[ . 1 . 2]" 1
785 1 89 ILE H 1 89 ILE HB 2.550 . 3.300 2.504 2.351 2.637 . 0 0 "[ . 1 . 2]" 1
786 1 89 ILE HA 1 89 ILE HG12 2.550 . 3.300 2.676 2.514 3.282 . 0 0 "[ . 1 . 2]" 1
787 1 89 ILE HA 1 89 ILE MG 2.800 . 3.800 2.302 2.251 2.403 . 0 0 "[ . 1 . 2]" 1
788 1 89 ILE HA 1 92 CYS QB 3.400 . 5.000 3.031 2.870 3.665 . 0 0 "[ . 1 . 2]" 1
789 1 89 ILE MG 1 92 CYS QB 3.650 . 5.500 4.213 4.070 4.894 . 0 0 "[ . 1 . 2]" 1
790 1 90 ILE H 1 90 ILE HA 2.550 . 3.300 2.858 2.845 2.874 . 0 0 "[ . 1 . 2]" 1
791 1 90 ILE H 1 90 ILE HB 2.550 . 3.300 2.648 2.556 2.750 . 0 0 "[ . 1 . 2]" 1
792 1 90 ILE H 1 90 ILE MD 2.500 . 3.200 2.852 2.488 3.325 0.125 19 0 "[ . 1 . 2]" 1
793 1 90 ILE H 1 90 ILE HG12 2.550 . 3.300 2.437 1.786 3.383 0.083 13 0 "[ . 1 . 2]" 1
794 1 90 ILE H 1 90 ILE HG13 2.550 . 3.300 2.824 1.940 3.429 0.129 3 0 "[ . 1 . 2]" 1
795 1 90 ILE H 1 91 ILE H 3.400 . 5.000 2.842 2.774 2.858 . 0 0 "[ . 1 . 2]" 1
796 1 90 ILE H 1 92 CYS QB 3.900 . 6.000 4.561 4.425 4.726 . 0 0 "[ . 1 . 2]" 1
797 1 90 ILE HA 1 90 ILE MG 2.500 . 3.200 2.250 2.222 2.284 . 0 0 "[ . 1 . 2]" 1
798 1 90 ILE HA 1 92 CYS QB 3.900 . 6.000 4.673 4.533 5.118 . 0 0 "[ . 1 . 2]" 1
799 1 90 ILE HA 1 93 CYS QB 3.900 . 6.000 2.783 2.329 3.058 . 0 0 "[ . 1 . 2]" 1
800 1 91 ILE H 1 91 ILE HA 2.550 . 3.300 2.745 2.705 2.762 . 0 0 "[ . 1 . 2]" 1
801 1 91 ILE H 1 91 ILE HB 2.550 . 3.300 2.810 2.559 2.853 . 0 0 "[ . 1 . 2]" 1
802 1 91 ILE H 1 91 ILE MD 2.500 . 3.200 3.457 3.343 3.505 0.305 5 0 "[ . 1 . 2]" 1
803 1 91 ILE H 1 91 ILE HG12 2.550 . 3.300 2.596 1.771 3.249 0.029 19 0 "[ . 1 . 2]" 1
804 1 91 ILE H 1 91 ILE HG13 2.550 . 3.300 1.903 1.717 3.177 0.083 11 0 "[ . 1 . 2]" 1
805 1 91 ILE H 1 92 CYS H 2.550 . 3.300 2.841 2.789 2.944 . 0 0 "[ . 1 . 2]" 1
806 1 91 ILE H 1 92 CYS QB 3.900 . 6.000 4.629 4.544 4.795 . 0 0 "[ . 1 . 2]" 1
807 1 91 ILE H 1 94 VAL H 3.900 . 6.000 4.903 4.817 5.079 . 0 0 "[ . 1 . 2]" 1
808 1 91 ILE HA 1 91 ILE MG 2.500 . 3.200 2.259 2.229 2.290 . 0 0 "[ . 1 . 2]" 1
809 1 91 ILE HA 1 92 CYS HA 3.400 . 5.000 4.688 4.674 4.702 . 0 0 "[ . 1 . 2]" 1
810 1 91 ILE HB 1 91 ILE HG13 2.550 . 3.300 2.433 2.321 2.537 . 0 0 "[ . 1 . 2]" 1
811 1 91 ILE HB 1 92 CYS H 2.550 . 3.300 3.131 2.865 3.197 . 0 0 "[ . 1 . 2]" 1
812 1 91 ILE HB 1 92 CYS HA 3.400 . 5.000 4.296 4.246 4.413 . 0 0 "[ . 1 . 2]" 1
813 1 91 ILE HG12 1 92 CYS H 3.400 . 5.000 4.817 4.247 5.071 0.071 1 0 "[ . 1 . 2]" 1
814 1 91 ILE HG13 1 92 CYS QB 3.900 . 6.000 5.654 5.457 6.096 0.096 13 0 "[ . 1 . 2]" 1
815 1 92 CYS HA 1 92 CYS QB 2.550 . 3.300 2.352 2.286 2.503 . 0 0 "[ . 1 . 2]" 1
816 1 92 CYS HA 1 95 ILE H 3.400 . 5.000 3.325 3.107 3.467 . 0 0 "[ . 1 . 2]" 1
817 1 92 CYS QB 1 93 CYS H 2.250 . 2.700 2.250 2.075 2.618 . 0 0 "[ . 1 . 2]" 1
818 1 92 CYS QB 1 93 CYS QB 3.400 . 5.000 3.945 3.735 4.445 . 0 0 "[ . 1 . 2]" 1
819 1 92 CYS QB 1 96 LEU QD 3.650 . 5.500 3.766 2.272 5.459 . 0 0 "[ . 1 . 2]" 1
820 1 93 CYS H 1 93 CYS HA 2.250 . 2.700 2.756 2.722 2.795 0.095 13 0 "[ . 1 . 2]" 1
821 1 93 CYS H 1 93 CYS QB 2.550 . 3.300 2.189 2.042 2.558 . 0 0 "[ . 1 . 2]" 1
822 1 93 CYS HA 1 94 VAL H 3.400 . 5.000 3.523 3.509 3.549 . 0 0 "[ . 1 . 2]" 1
823 1 93 CYS HA 1 94 VAL HA 3.900 . 6.000 4.776 4.728 4.845 . 0 0 "[ . 1 . 2]" 1
824 1 93 CYS HA 1 94 VAL QG 3.650 . 5.500 4.802 4.459 4.913 . 0 0 "[ . 1 . 2]" 1
825 1 93 CYS HA 1 96 LEU QB 3.400 . 5.000 2.539 2.321 3.576 . 0 0 "[ . 1 . 2]" 1
826 1 93 CYS QB 1 94 VAL H 3.400 . 5.000 2.779 2.558 3.173 . 0 0 "[ . 1 . 2]" 1
827 1 93 CYS QB 1 94 VAL QG 3.650 . 5.500 3.437 2.842 4.186 . 0 0 "[ . 1 . 2]" 1
828 1 94 VAL H 1 94 VAL HA 2.550 . 3.300 2.849 2.803 2.877 . 0 0 "[ . 1 . 2]" 1
829 1 94 VAL H 1 94 VAL HB 2.550 . 3.300 2.396 2.259 2.886 . 0 0 "[ . 1 . 2]" 1
830 1 94 VAL H 1 94 VAL QG 2.500 . 3.200 2.303 1.792 2.514 0.008 7 0 "[ . 1 . 2]" 1
831 1 94 VAL HA 1 94 VAL HB 2.550 . 3.300 2.947 2.423 3.027 . 0 0 "[ . 1 . 2]" 1
832 1 94 VAL HA 1 94 VAL QG 2.500 . 3.200 2.106 2.059 2.275 . 0 0 "[ . 1 . 2]" 1
833 1 94 VAL QG 1 95 ILE H 2.500 . 3.200 3.000 1.896 3.285 0.085 12 0 "[ . 1 . 2]" 1
834 1 95 ILE H 1 95 ILE HB 2.550 . 3.300 2.326 2.261 2.703 . 0 0 "[ . 1 . 2]" 1
835 1 95 ILE H 1 96 LEU H 2.550 . 3.300 2.606 2.509 2.749 . 0 0 "[ . 1 . 2]" 1
836 1 95 ILE HA 1 95 ILE HG12 3.400 . 5.000 2.550 2.457 3.307 . 0 0 "[ . 1 . 2]" 1
837 1 95 ILE HB 1 96 LEU H 3.400 . 5.000 2.577 2.345 2.950 . 0 0 "[ . 1 . 2]" 1
838 1 95 ILE HB 1 97 GLY H 3.400 . 5.000 5.035 4.992 5.069 0.069 5 0 "[ . 1 . 2]" 1
839 1 96 LEU H 1 96 LEU HA 2.550 . 3.300 2.721 2.694 2.790 . 0 0 "[ . 1 . 2]" 1
840 1 96 LEU H 1 96 LEU QB 2.250 . 2.700 2.219 2.067 2.636 . 0 0 "[ . 1 . 2]" 1
841 1 96 LEU H 1 96 LEU QD 2.500 . 3.200 2.312 1.816 3.278 0.078 13 0 "[ . 1 . 2]" 1
842 1 96 LEU H 1 97 GLY H 2.550 . 3.300 2.910 2.682 3.011 . 0 0 "[ . 1 . 2]" 1
843 1 96 LEU HA 1 96 LEU QD 2.500 . 3.200 2.200 1.933 3.099 . 0 0 "[ . 1 . 2]" 1
844 1 96 LEU HA 1 97 GLY H 3.400 . 5.000 3.532 3.471 3.556 . 0 0 "[ . 1 . 2]" 1
845 1 96 LEU HA 1 99 ILE H 3.400 . 5.000 3.357 3.184 3.762 . 0 0 "[ . 1 . 2]" 1
846 1 96 LEU HA 1 99 ILE HG13 3.400 . 5.000 2.571 2.311 3.560 . 0 0 "[ . 1 . 2]" 1
847 1 96 LEU QB 1 96 LEU HG 2.550 . 3.300 2.338 2.195 2.524 . 0 0 "[ . 1 . 2]" 1
848 1 96 LEU QB 1 97 GLY H 3.400 . 5.000 2.687 2.455 3.478 . 0 0 "[ . 1 . 2]" 1
849 1 96 LEU QB 1 97 GLY QA 3.900 . 6.000 3.593 3.511 4.369 . 0 0 "[ . 1 . 2]" 1
850 1 96 LEU QB 1 99 ILE HG13 3.900 . 6.000 4.665 4.337 5.258 . 0 0 "[ . 1 . 2]" 1
851 1 96 LEU QD 1 97 GLY H 2.800 . 3.800 3.849 3.017 4.031 0.231 16 0 "[ . 1 . 2]" 1
852 1 96 LEU QD 1 97 GLY QA 3.650 . 5.500 4.392 2.364 4.715 . 0 0 "[ . 1 . 2]" 1
853 1 97 GLY H 1 97 GLY QA 2.250 . 2.700 2.211 2.202 2.231 . 0 0 "[ . 1 . 2]" 1
854 1 97 GLY H 1 98 ILE H 2.550 . 3.300 2.591 2.469 2.736 . 0 0 "[ . 1 . 2]" 1
855 1 97 GLY H 1 98 ILE HB 3.900 . 6.000 4.960 4.794 5.183 . 0 0 "[ . 1 . 2]" 1
856 1 97 GLY H 1 100 ILE H 3.900 . 6.000 5.385 5.136 5.492 . 0 0 "[ . 1 . 2]" 1
857 1 97 GLY QA 1 98 ILE H 2.550 . 3.300 2.791 2.708 2.827 . 0 0 "[ . 1 . 2]" 1
858 1 97 GLY QA 1 100 ILE HB 3.900 . 6.000 3.841 3.227 4.425 . 0 0 "[ . 1 . 2]" 1
859 1 97 GLY QA 1 100 ILE MD 4.150 . 6.500 3.625 2.276 5.468 . 0 0 "[ . 1 . 2]" 1
860 1 98 ILE H 1 98 ILE HB 2.550 . 3.300 2.583 2.447 2.722 . 0 0 "[ . 1 . 2]" 1
861 1 98 ILE H 1 98 ILE MD 2.800 . 3.800 3.349 2.491 3.818 0.018 6 0 "[ . 1 . 2]" 1
862 1 98 ILE H 1 98 ILE HG12 2.550 . 3.300 2.551 1.809 3.318 0.018 12 0 "[ . 1 . 2]" 1
863 1 98 ILE H 1 98 ILE HG13 2.550 . 3.300 2.847 2.001 3.444 0.144 17 0 "[ . 1 . 2]" 1
864 1 98 ILE H 1 100 ILE H 3.900 . 6.000 4.385 4.218 4.573 . 0 0 "[ . 1 . 2]" 1
865 1 98 ILE HA 1 101 ALA MB 4.150 . 6.500 2.620 2.451 2.811 . 0 0 "[ . 1 . 2]" 1
866 1 99 ILE H 1 99 ILE HA 2.550 . 3.300 2.754 2.737 2.766 . 0 0 "[ . 1 . 2]" 1
867 1 99 ILE H 1 99 ILE HB 2.550 . 3.300 2.635 2.518 2.757 . 0 0 "[ . 1 . 2]" 1
868 1 99 ILE H 1 99 ILE MD 2.500 . 3.200 3.101 2.498 3.423 0.223 17 0 "[ . 1 . 2]" 1
869 1 99 ILE H 1 99 ILE HG12 2.550 . 3.300 2.020 1.811 3.375 0.075 13 0 "[ . 1 . 2]" 1
870 1 99 ILE H 1 99 ILE HG13 2.550 . 3.300 3.216 1.961 3.469 0.169 9 0 "[ . 1 . 2]" 1
871 1 99 ILE H 1 100 ILE H 3.400 . 5.000 2.928 2.870 2.986 . 0 0 "[ . 1 . 2]" 1
872 1 99 ILE H 1 102 SER H 3.900 . 6.000 4.731 4.686 4.828 . 0 0 "[ . 1 . 2]" 1
873 1 99 ILE HA 1 99 ILE HB 2.550 . 3.300 3.026 3.022 3.030 . 0 0 "[ . 1 . 2]" 1
874 1 99 ILE HA 1 99 ILE MD 2.800 . 3.800 2.318 2.083 3.806 0.006 1 0 "[ . 1 . 2]" 1
875 1 99 ILE HA 1 99 ILE MG 2.800 . 3.800 2.292 2.256 2.346 . 0 0 "[ . 1 . 2]" 1
876 1 99 ILE HA 1 101 ALA MB 3.650 . 5.500 4.947 4.755 5.227 . 0 0 "[ . 1 . 2]" 1
877 1 99 ILE MG 1 102 SER H 3.650 . 5.500 4.239 4.015 4.601 . 0 0 "[ . 1 . 2]" 1
878 1 100 ILE H 1 100 ILE HB 2.550 . 3.300 2.347 2.272 2.516 . 0 0 "[ . 1 . 2]" 1
879 1 100 ILE H 1 100 ILE MD 2.800 . 3.800 2.794 1.784 3.818 0.018 17 0 "[ . 1 . 2]" 1
880 1 100 ILE H 1 100 ILE HG12 3.900 . 6.000 4.117 3.783 4.710 . 0 0 "[ . 1 . 2]" 1
881 1 100 ILE H 1 100 ILE HG13 3.400 . 5.000 3.474 2.393 4.428 . 0 0 "[ . 1 . 2]" 1
882 1 100 ILE HA 1 103 THR H 3.400 . 5.000 3.755 3.625 3.916 . 0 0 "[ . 1 . 2]" 1
883 1 100 ILE HA 1 103 THR MG 3.650 . 5.500 4.377 4.078 4.858 . 0 0 "[ . 1 . 2]" 1
884 1 100 ILE HA 1 104 ILE H 3.400 . 5.000 4.430 4.234 4.543 . 0 0 "[ . 1 . 2]" 1
885 1 100 ILE HB 1 102 SER H 3.900 . 6.000 4.927 4.675 5.387 . 0 0 "[ . 1 . 2]" 1
886 1 100 ILE HG13 1 101 ALA MB 4.150 . 6.500 5.796 5.075 6.232 . 0 0 "[ . 1 . 2]" 1
887 1 100 ILE HG13 1 103 THR MG 3.650 . 5.500 5.389 4.759 5.515 0.015 1 0 "[ . 1 . 2]" 1
888 1 100 ILE MG 1 101 ALA HA 2.800 . 3.800 3.056 2.918 3.333 . 0 0 "[ . 1 . 2]" 1
889 1 101 ALA H 1 101 ALA HA 2.550 . 3.300 2.804 2.779 2.814 . 0 0 "[ . 1 . 2]" 1
890 1 101 ALA H 1 101 ALA MB 2.500 . 3.200 2.075 2.022 2.168 . 0 0 "[ . 1 . 2]" 1
891 1 101 ALA H 1 102 SER H 3.400 . 5.000 2.681 2.637 2.782 . 0 0 "[ . 1 . 2]" 1
892 1 101 ALA H 1 102 SER HA 3.900 . 6.000 5.270 5.229 5.368 . 0 0 "[ . 1 . 2]" 1
893 1 101 ALA H 1 102 SER QB 3.900 . 6.000 4.576 4.359 5.023 . 0 0 "[ . 1 . 2]" 1
894 1 101 ALA H 1 103 THR H 3.900 . 6.000 4.845 4.820 4.864 . 0 0 "[ . 1 . 2]" 1
895 1 101 ALA HA 1 103 THR H 3.400 . 5.000 5.006 4.952 5.078 0.078 12 0 "[ . 1 . 2]" 1
896 1 101 ALA HA 1 104 ILE HG12 3.900 . 6.000 5.178 5.034 5.412 . 0 0 "[ . 1 . 2]" 1
897 1 101 ALA HA 1 104 ILE HG13 3.400 . 5.000 3.896 3.695 4.148 . 0 0 "[ . 1 . 2]" 1
898 1 101 ALA MB 1 102 SER H 2.800 . 3.800 2.902 2.742 2.956 . 0 0 "[ . 1 . 2]" 1
899 1 101 ALA MB 1 104 ILE H 4.150 . 6.500 4.680 4.623 4.766 . 0 0 "[ . 1 . 2]" 1
900 1 101 ALA MB 1 105 GLY H 3.650 . 5.500 4.550 4.506 4.613 . 0 0 "[ . 1 . 2]" 1
901 1 101 ALA MB 1 107 ILE MD 3.900 . 6.000 4.876 4.637 5.523 . 0 0 "[ . 1 . 2]" 1
902 1 102 SER H 1 102 SER HA 2.550 . 3.300 2.851 2.845 2.854 . 0 0 "[ . 1 . 2]" 1
903 1 102 SER H 1 102 SER QB 2.550 . 3.300 2.289 2.054 2.700 . 0 0 "[ . 1 . 2]" 1
904 1 102 SER H 1 103 THR H 2.550 . 3.300 2.799 2.784 2.808 . 0 0 "[ . 1 . 2]" 1
905 1 102 SER H 1 103 THR MG 4.150 . 6.500 5.327 4.900 5.893 . 0 0 "[ . 1 . 2]" 1
906 1 102 SER HA 1 102 SER QB 2.550 . 3.300 2.325 2.160 2.539 . 0 0 "[ . 1 . 2]" 1
907 1 102 SER HA 1 105 GLY H 3.400 . 5.000 3.005 2.953 3.083 . 0 0 "[ . 1 . 2]" 1
908 1 102 SER QB 1 103 THR H 3.400 . 5.000 2.341 1.957 3.027 . 0 0 "[ . 1 . 2]" 1
909 1 103 THR H 1 103 THR MG 2.800 . 3.800 3.079 2.576 3.762 . 0 0 "[ . 1 . 2]" 1
910 1 103 THR H 1 104 ILE H 2.550 . 3.300 2.804 2.789 2.821 . 0 0 "[ . 1 . 2]" 1
911 1 103 THR H 1 104 ILE HB 3.900 . 6.000 5.205 5.150 5.263 . 0 0 "[ . 1 . 2]" 1
912 1 103 THR H 1 105 GLY H 3.400 . 5.000 3.790 3.733 3.841 . 0 0 "[ . 1 . 2]" 1
913 1 103 THR HA 1 103 THR MG 2.800 . 3.800 2.225 2.122 2.494 . 0 0 "[ . 1 . 2]" 1
914 1 103 THR HA 1 106 GLY H 3.400 . 5.000 4.023 3.959 4.135 . 0 0 "[ . 1 . 2]" 1
915 1 103 THR HB 1 104 ILE H 2.550 . 3.300 3.086 2.672 3.328 0.028 13 0 "[ . 1 . 2]" 1
916 1 103 THR HB 1 104 ILE MG 3.650 . 5.500 5.277 5.049 5.453 . 0 0 "[ . 1 . 2]" 1
917 1 104 ILE H 1 104 ILE HB 2.550 . 3.300 2.583 2.546 2.617 . 0 0 "[ . 1 . 2]" 1
918 1 104 ILE H 1 104 ILE MD 2.800 . 3.800 3.585 3.517 3.623 . 0 0 "[ . 1 . 2]" 1
919 1 104 ILE H 1 104 ILE HG12 2.550 . 3.300 3.376 3.324 3.406 0.106 18 0 "[ . 1 . 2]" 1
920 1 104 ILE H 1 104 ILE HG13 2.550 . 3.300 2.121 2.080 2.152 . 0 0 "[ . 1 . 2]" 1
921 1 104 ILE H 1 105 GLY QA 3.400 . 5.000 4.173 4.152 4.208 . 0 0 "[ . 1 . 2]" 1
922 1 104 ILE H 1 107 ILE H 3.900 . 6.000 5.774 5.540 5.977 . 0 0 "[ . 1 . 2]" 1
923 1 104 ILE HA 1 104 ILE MD 3.650 . 5.500 3.844 3.832 3.860 . 0 0 "[ . 1 . 2]" 1
924 1 104 ILE HA 1 104 ILE HG12 3.400 . 5.000 2.601 2.577 2.636 . 0 0 "[ . 1 . 2]" 1
925 1 104 ILE HA 1 104 ILE HG13 3.400 . 5.000 3.120 3.078 3.171 . 0 0 "[ . 1 . 2]" 1
926 1 104 ILE HA 1 104 ILE MG 2.500 . 3.200 2.245 2.237 2.253 . 0 0 "[ . 1 . 2]" 1
927 1 104 ILE HB 1 105 GLY H 2.550 . 3.300 3.281 3.257 3.301 0.001 8 0 "[ . 1 . 2]" 1
928 1 104 ILE HB 1 106 GLY H 3.900 . 6.000 5.245 5.192 5.278 . 0 0 "[ . 1 . 2]" 1
929 1 104 ILE MD 1 105 GLY H 3.650 . 5.500 4.926 4.898 4.944 . 0 0 "[ . 1 . 2]" 1
930 1 104 ILE MD 1 105 GLY QA 4.150 . 6.500 5.475 5.444 5.502 . 0 0 "[ . 1 . 2]" 1
931 1 104 ILE MD 1 106 GLY H 4.150 . 6.500 6.491 6.447 6.523 0.023 3 0 "[ . 1 . 2]" 1
932 1 104 ILE HG12 1 105 GLY H 3.400 . 5.000 5.030 5.005 5.055 0.055 5 0 "[ . 1 . 2]" 1
933 1 104 ILE HG13 1 104 ILE MG 2.800 . 3.800 3.190 3.179 3.205 . 0 0 "[ . 1 . 2]" 1
934 1 104 ILE HG13 1 105 GLY H 3.400 . 5.000 4.200 4.173 4.234 . 0 0 "[ . 1 . 2]" 1
935 1 104 ILE HG13 1 106 GLY H 3.900 . 6.000 5.898 5.849 5.932 . 0 0 "[ . 1 . 2]" 1
936 1 104 ILE MG 1 105 GLY QA 4.150 . 6.500 3.954 3.871 4.032 . 0 0 "[ . 1 . 2]" 1
937 1 105 GLY H 1 105 GLY QA 2.250 . 2.700 2.230 2.216 2.238 . 0 0 "[ . 1 . 2]" 1
938 1 105 GLY H 1 106 GLY H 2.550 . 3.300 2.450 2.399 2.536 . 0 0 "[ . 1 . 2]" 1
939 1 105 GLY H 1 107 ILE H 3.400 . 5.000 4.046 3.744 4.266 . 0 0 "[ . 1 . 2]" 1
940 1 105 GLY QA 1 106 GLY H 2.550 . 3.300 2.793 2.782 2.811 . 0 0 "[ . 1 . 2]" 1
941 1 105 GLY QA 1 107 ILE MD 3.650 . 5.500 3.266 2.948 3.527 . 0 0 "[ . 1 . 2]" 1
942 1 105 GLY QA 1 107 ILE HG13 3.900 . 6.000 3.335 3.098 3.532 . 0 0 "[ . 1 . 2]" 1
943 1 105 GLY QA 1 107 ILE MG 4.150 . 6.500 5.490 5.295 5.642 . 0 0 "[ . 1 . 2]" 1
944 1 106 GLY H 1 106 GLY QA 2.250 . 2.700 2.271 2.233 2.316 . 0 0 "[ . 1 . 2]" 1
945 1 106 GLY H 1 107 ILE H 2.250 . 2.700 2.303 2.120 2.483 . 0 0 "[ . 1 . 2]" 1
946 1 106 GLY H 1 107 ILE HB 3.400 . 5.000 4.398 4.234 4.625 . 0 0 "[ . 1 . 2]" 1
947 1 106 GLY H 1 107 ILE MD 4.150 . 6.500 4.259 3.930 4.657 . 0 0 "[ . 1 . 2]" 1
948 1 106 GLY QA 1 107 ILE H 2.250 . 2.700 2.765 2.671 2.890 0.190 2 0 "[ . 1 . 2]" 1
949 1 106 GLY QA 1 107 ILE HB 3.900 . 6.000 4.835 4.708 4.999 . 0 0 "[ . 1 . 2]" 1
950 1 106 GLY QA 1 109 GLY QA 3.400 . 5.000 4.233 3.382 4.998 . 0 0 "[ . 1 . 2]" 1
951 1 107 ILE H 1 107 ILE HA 2.250 . 2.700 2.862 2.840 2.879 0.179 5 0 "[ . 1 . 2]" 1
952 1 107 ILE H 1 107 ILE HB 2.250 . 2.700 2.398 2.303 2.497 . 0 0 "[ . 1 . 2]" 1
953 1 107 ILE H 1 107 ILE MD 2.500 . 3.200 3.177 3.038 3.224 0.024 10 0 "[ . 1 . 2]" 1
954 1 107 ILE H 1 107 ILE HG13 2.250 . 2.700 2.421 2.101 2.742 0.042 4 0 "[ . 1 . 2]" 1
955 1 107 ILE H 1 108 PHE H 2.250 . 2.700 2.516 2.377 2.721 0.021 1 0 "[ . 1 . 2]" 1
956 1 107 ILE H 1 108 PHE HA 3.900 . 6.000 5.118 4.968 5.299 . 0 0 "[ . 1 . 2]" 1
957 1 107 ILE H 1 108 PHE QB 3.900 . 6.000 4.324 4.145 4.543 . 0 0 "[ . 1 . 2]" 1
958 1 107 ILE H 1 108 PHE QD 3.400 . 5.000 4.171 3.170 5.007 0.007 16 0 "[ . 1 . 2]" 1
959 1 107 ILE HA 1 107 ILE HB 2.550 . 3.300 3.017 3.008 3.025 . 0 0 "[ . 1 . 2]" 1
960 1 107 ILE HA 1 107 ILE MD 2.800 . 3.800 3.812 3.754 3.855 0.055 14 0 "[ . 1 . 2]" 1
961 1 107 ILE HA 1 107 ILE HG12 2.550 . 3.300 2.718 2.682 2.799 . 0 0 "[ . 1 . 2]" 1
962 1 107 ILE HA 1 107 ILE HG13 2.550 . 3.300 2.620 2.437 2.800 . 0 0 "[ . 1 . 2]" 1
963 1 107 ILE HA 1 107 ILE MG 2.500 . 3.200 2.358 2.276 2.449 . 0 0 "[ . 1 . 2]" 1
964 1 107 ILE HB 1 107 ILE MD 2.500 . 3.200 2.208 2.176 2.255 . 0 0 "[ . 1 . 2]" 1
965 1 107 ILE HB 1 107 ILE HG12 2.550 . 3.300 3.002 2.984 3.017 . 0 0 "[ . 1 . 2]" 1
966 1 107 ILE HB 1 108 PHE H 2.550 . 3.300 2.808 2.258 3.330 0.030 10 0 "[ . 1 . 2]" 1
967 1 107 ILE HB 1 108 PHE QD 3.900 . 6.000 3.065 2.581 4.129 . 0 0 "[ . 1 . 2]" 1
968 1 107 ILE HB 1 109 GLY H 3.400 . 5.000 4.885 4.719 5.070 0.070 11 0 "[ . 1 . 2]" 1
969 1 107 ILE MD 1 107 ILE MG 2.750 . 3.700 2.167 2.008 2.288 . 0 0 "[ . 1 . 2]" 1
970 1 107 ILE MD 1 108 PHE H 3.650 . 5.500 4.435 4.027 4.846 . 0 0 "[ . 1 . 2]" 1
971 1 107 ILE MD 1 108 PHE HA 4.150 . 6.500 5.885 5.783 6.003 . 0 0 "[ . 1 . 2]" 1
972 1 107 ILE MD 1 108 PHE QD 4.150 . 6.500 4.358 3.833 5.056 . 0 0 "[ . 1 . 2]" 1
973 1 107 ILE MD 1 108 PHE QE 3.650 . 5.500 4.866 4.127 5.265 . 0 0 "[ . 1 . 2]" 1
974 1 107 ILE HG12 1 107 ILE MG 2.500 . 3.200 2.216 2.143 2.270 . 0 0 "[ . 1 . 2]" 1
975 1 107 ILE HG13 1 107 ILE MG 2.500 . 3.200 3.147 3.123 3.170 . 0 0 "[ . 1 . 2]" 1
976 1 107 ILE HG13 1 109 GLY H 3.900 . 6.000 5.724 5.453 6.041 0.041 16 0 "[ . 1 . 2]" 1
977 1 107 ILE MG 1 108 PHE H 2.800 . 3.800 3.478 3.145 3.811 0.011 8 0 "[ . 1 . 2]" 1
978 1 107 ILE MG 1 108 PHE HA 3.650 . 5.500 3.495 3.350 3.621 . 0 0 "[ . 1 . 2]" 1
979 1 107 ILE MG 1 108 PHE QB 4.150 . 6.500 4.491 4.080 4.852 . 0 0 "[ . 1 . 2]" 1
980 1 107 ILE MG 1 108 PHE QD 2.800 . 3.800 3.131 2.429 3.745 . 0 0 "[ . 1 . 2]" 1
981 1 107 ILE MG 1 108 PHE QE 3.650 . 5.500 3.893 3.373 4.391 . 0 0 "[ . 1 . 2]" 1
982 1 107 ILE MG 1 109 GLY H 3.650 . 5.500 4.682 4.290 5.195 . 0 0 "[ . 1 . 2]" 1
983 1 108 PHE H 1 108 PHE HA 2.550 . 3.300 2.879 2.868 2.889 . 0 0 "[ . 1 . 2]" 1
984 1 108 PHE H 1 108 PHE QB 2.250 . 2.700 2.161 2.102 2.469 . 0 0 "[ . 1 . 2]" 1
985 1 108 PHE H 1 108 PHE QD 2.550 . 3.300 2.596 2.169 2.906 . 0 0 "[ . 1 . 2]" 1
986 1 108 PHE H 1 109 GLY H 2.250 . 2.700 2.537 2.495 2.563 . 0 0 "[ . 1 . 2]" 1
987 1 108 PHE HA 1 108 PHE QB 2.550 . 3.300 2.488 2.342 2.522 . 0 0 "[ . 1 . 2]" 1
988 1 108 PHE HA 1 108 PHE QD 2.550 . 3.300 2.750 2.375 2.988 . 0 0 "[ . 1 . 2]" 1
989 1 108 PHE HA 1 109 GLY QA 3.900 . 6.000 4.285 4.169 4.481 . 0 0 "[ . 1 . 2]" 1
990 1 108 PHE QB 1 108 PHE QD 2.550 . 3.300 2.174 2.149 2.219 . 0 0 "[ . 1 . 2]" 1
991 1 108 PHE QB 1 108 PHE QE 3.900 . 6.000 3.974 3.962 3.991 . 0 0 "[ . 1 . 2]" 1
992 1 108 PHE QB 1 109 GLY H 2.550 . 3.300 3.017 2.483 3.325 0.025 15 0 "[ . 1 . 2]" 1
993 1 108 PHE QB 1 109 GLY QA 3.900 . 6.000 3.850 3.493 4.170 . 0 0 "[ . 1 . 2]" 1
994 1 109 GLY H 1 109 GLY QA 2.250 . 2.700 2.325 2.197 2.507 . 0 0 "[ . 1 . 2]" 1
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