NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445120 |
2kj4   |
16311 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kj4
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 1666
_Distance_constraint_stats_list.Viol_count 3895
_Distance_constraint_stats_list.Viol_total 3842.796
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0215
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0493
_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 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.340 0.039 15 0 "[ . 1 . 2]"
1 4 PHE 1.161 0.153 14 0 "[ . 1 . 2]"
1 5 SER 1.672 0.198 20 0 "[ . 1 . 2]"
1 6 GLU 1.075 0.214 7 0 "[ . 1 . 2]"
1 7 GLU 0.862 0.214 7 0 "[ . 1 . 2]"
1 8 CYS 3.404 0.145 10 0 "[ . 1 . 2]"
1 9 MET 6.058 0.242 6 0 "[ . 1 . 2]"
1 10 HIS 2.024 0.154 8 0 "[ . 1 . 2]"
1 11 GLY 0.062 0.038 2 0 "[ . 1 . 2]"
1 12 SER 0.181 0.064 11 0 "[ . 1 . 2]"
1 13 GLY 0.700 0.098 18 0 "[ . 1 . 2]"
1 14 GLU 2.143 0.106 10 0 "[ . 1 . 2]"
1 15 ASN 2.622 0.120 18 0 "[ . 1 . 2]"
1 16 TYR 1.422 0.134 3 0 "[ . 1 . 2]"
1 17 ASP 0.271 0.068 3 0 "[ . 1 . 2]"
1 18 GLY 0.166 0.068 3 0 "[ . 1 . 2]"
1 19 LYS 1.461 0.207 5 0 "[ . 1 . 2]"
1 20 ILE 3.342 0.124 2 0 "[ . 1 . 2]"
1 21 SER 1.482 0.102 13 0 "[ . 1 . 2]"
1 22 LYS 1.867 0.236 3 0 "[ . 1 . 2]"
1 23 THR 5.113 0.166 11 0 "[ . 1 . 2]"
1 24 MET 3.718 0.162 18 0 "[ . 1 . 2]"
1 25 SER 3.582 0.163 19 0 "[ . 1 . 2]"
1 26 GLY 2.440 0.166 11 0 "[ . 1 . 2]"
1 27 LEU 5.483 0.135 12 0 "[ . 1 . 2]"
1 28 GLU 2.616 0.236 3 0 "[ . 1 . 2]"
1 29 CYS 3.028 0.145 7 0 "[ . 1 . 2]"
1 30 GLN 2.481 0.110 13 0 "[ . 1 . 2]"
1 31 ALA 1.334 0.076 15 0 "[ . 1 . 2]"
1 32 TRP 10.206 0.217 12 0 "[ . 1 . 2]"
1 33 ASP 0.385 0.046 12 0 "[ . 1 . 2]"
1 34 SER 0.594 0.046 12 0 "[ . 1 . 2]"
1 35 GLN 1.573 0.137 9 0 "[ . 1 . 2]"
1 36 SER 1.357 0.113 16 0 "[ . 1 . 2]"
1 37 PRO 3.318 0.205 17 0 "[ . 1 . 2]"
1 38 HIS 6.946 0.205 17 0 "[ . 1 . 2]"
1 39 ALA 0.864 0.106 4 0 "[ . 1 . 2]"
1 40 HIS 6.074 0.228 1 0 "[ . 1 . 2]"
1 41 GLY 3.620 0.113 17 0 "[ . 1 . 2]"
1 42 TYR 5.579 0.228 1 0 "[ . 1 . 2]"
1 43 ILE 3.179 0.113 17 0 "[ . 1 . 2]"
1 44 PRO 0.315 0.059 14 0 "[ . 1 . 2]"
1 45 SER 1.308 0.096 12 0 "[ . 1 . 2]"
1 46 LYS 5.273 0.254 16 0 "[ . 1 . 2]"
1 47 PHE 2.531 0.184 2 0 "[ . 1 . 2]"
1 48 PRO 2.293 0.165 11 0 "[ . 1 . 2]"
1 49 ASN 3.960 0.165 11 0 "[ . 1 . 2]"
1 50 LYS 3.578 0.132 20 0 "[ . 1 . 2]"
1 51 ASN 2.383 0.143 14 0 "[ . 1 . 2]"
1 52 LEU 1.399 0.128 1 0 "[ . 1 . 2]"
1 53 LYS 5.485 0.177 12 0 "[ . 1 . 2]"
1 54 LYS 3.537 0.177 13 0 "[ . 1 . 2]"
1 55 ASN 3.240 0.128 6 0 "[ . 1 . 2]"
1 56 TYR 8.391 0.207 5 0 "[ . 1 . 2]"
1 57 CYS 3.901 0.134 3 0 "[ . 1 . 2]"
1 58 ARG 9.028 0.217 12 0 "[ . 1 . 2]"
1 59 ASN 5.147 0.146 10 0 "[ . 1 . 2]"
1 60 PRO 2.683 0.158 12 0 "[ . 1 . 2]"
1 61 ASP 5.755 0.197 20 0 "[ . 1 . 2]"
1 62 ARG 0.151 0.049 9 0 "[ . 1 . 2]"
1 63 ASP 3.815 0.181 14 0 "[ . 1 . 2]"
1 64 LEU 1.044 0.146 10 0 "[ . 1 . 2]"
1 65 ARG 0.989 0.106 3 0 "[ . 1 . 2]"
1 66 PRO 1.984 0.120 19 0 "[ . 1 . 2]"
1 67 TRP 4.640 0.142 10 0 "[ . 1 . 2]"
1 68 CYS 1.413 0.280 7 0 "[ . 1 . 2]"
1 69 PHE 3.083 0.154 11 0 "[ . 1 . 2]"
1 70 THR 3.566 0.120 1 0 "[ . 1 . 2]"
1 71 THR 0.891 0.143 11 0 "[ . 1 . 2]"
1 72 ASP 2.392 0.171 19 0 "[ . 1 . 2]"
1 73 PRO 2.478 0.127 7 0 "[ . 1 . 2]"
1 74 ASN 1.764 0.128 7 0 "[ . 1 . 2]"
1 75 LYS 6.976 0.171 19 0 "[ . 1 . 2]"
1 76 ARG 3.340 0.135 8 0 "[ . 1 . 2]"
1 77 TRP 7.259 0.158 8 0 "[ . 1 . 2]"
1 78 GLU 2.799 0.140 7 0 "[ . 1 . 2]"
1 79 TYR 1.744 0.071 20 0 "[ . 1 . 2]"
1 80 CYS 2.662 0.142 10 0 "[ . 1 . 2]"
1 81 ASP 1.399 0.116 6 0 "[ . 1 . 2]"
1 82 ILE 1.511 0.086 10 0 "[ . 1 . 2]"
1 83 PRO 2.315 0.242 6 0 "[ . 1 . 2]"
1 84 ARG 1.842 0.151 6 0 "[ . 1 . 2]"
1 85 CYS 2.433 0.150 16 0 "[ . 1 . 2]"
1 86 ALA 0.107 0.024 16 0 "[ . 1 . 2]"
1 87 ALA 0.141 0.050 18 0 "[ . 1 . 2]"
2 2 SER 0.066 0.031 5 0 "[ . 1 . 2]"
2 3 VAL 0.500 0.095 11 0 "[ . 1 . 2]"
2 4 GLU 2.765 0.281 1 0 "[ . 1 . 2]"
2 5 LYS 2.149 0.281 1 0 "[ . 1 . 2]"
2 6 LEU 0.836 0.166 12 0 "[ . 1 . 2]"
2 7 THR 2.442 0.177 16 0 "[ . 1 . 2]"
2 8 ALA 1.574 0.098 9 0 "[ . 1 . 2]"
2 9 ASP 3.411 0.125 2 0 "[ . 1 . 2]"
2 10 ALA 1.761 0.142 19 0 "[ . 1 . 2]"
2 11 GLU 0.933 0.084 18 0 "[ . 1 . 2]"
2 12 LEU 4.685 0.268 20 0 "[ . 1 . 2]"
2 13 GLN 3.447 0.197 3 0 "[ . 1 . 2]"
2 14 ARG 7.368 0.158 1 0 "[ . 1 . 2]"
2 15 LEU 2.158 0.115 19 0 "[ . 1 . 2]"
2 16 LYS 5.037 0.197 20 0 "[ . 1 . 2]"
2 17 ASN 5.998 0.158 1 0 "[ . 1 . 2]"
2 18 GLU 6.020 0.142 2 0 "[ . 1 . 2]"
2 19 ARG 8.257 0.146 4 0 "[ . 1 . 2]"
2 20 HIS 6.601 0.181 14 0 "[ . 1 . 2]"
2 21 GLU 5.294 0.136 10 0 "[ . 1 . 2]"
2 22 GLU 2.894 0.105 10 0 "[ . 1 . 2]"
2 23 ALA 2.435 0.080 16 0 "[ . 1 . 2]"
2 24 GLU 3.667 0.213 16 0 "[ . 1 . 2]"
2 25 LEU 3.394 0.105 10 0 "[ . 1 . 2]"
2 26 GLU 1.924 0.147 18 0 "[ . 1 . 2]"
2 27 ARG 0.742 0.062 3 0 "[ . 1 . 2]"
2 28 LEU 0.685 0.078 11 0 "[ . 1 . 2]"
2 29 LYS 0.960 0.147 18 0 "[ . 1 . 2]"
2 30 SER 0.743 0.119 12 0 "[ . 1 . 2]"
2 31 GLU 0.473 0.119 12 0 "[ . 1 . 2]"
2 32 TYR 0.966 0.137 17 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 2 VAL H 1 2 VAL MG2 3.750 . 5.700 2.644 1.941 4.042 . 0 0 "[ . 1 . 2]" 1
2 1 2 VAL H 1 2 VAL HB 3.750 . 5.700 3.211 2.479 3.861 . 0 0 "[ . 1 . 2]" 1
3 1 2 VAL HA 1 2 VAL HB 2.650 . 3.500 2.722 2.443 3.064 . 0 0 "[ . 1 . 2]" 1
4 1 2 VAL HA 1 2 VAL MG1 3.150 . 4.500 2.589 2.252 3.271 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU H 1 3 GLU QG 3.150 . 4.500 2.923 1.867 4.151 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU H 1 3 GLU HB2 2.650 . 3.500 2.797 2.212 3.539 0.039 15 0 "[ . 1 . 2]" 1
7 1 3 GLU HA 1 3 GLU HB2 2.650 . 3.500 2.961 2.473 3.040 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLU HA 1 3 GLU HB3 2.650 . 3.500 2.500 2.272 3.035 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU HA 1 3 GLU QG 3.150 . 4.500 2.701 2.416 3.359 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HB2 1 3 GLU QG 2.650 . 3.500 2.320 2.150 2.498 . 0 0 "[ . 1 . 2]" 1
11 1 4 PHE H 1 4 PHE HB3 2.650 . 3.500 3.005 2.327 3.578 0.078 18 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 4 PHE H 2.650 . 3.500 3.091 2.184 3.532 0.032 14 0 "[ . 1 . 2]" 1
13 1 4 PHE H 1 4 PHE HB2 2.650 . 3.500 2.944 2.373 3.653 0.153 14 0 "[ . 1 . 2]" 1
14 1 4 PHE H 1 4 PHE HA 2.650 . 3.500 2.875 2.763 2.929 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU QG 1 4 PHE H 3.150 . 4.500 4.057 3.186 4.534 0.034 18 0 "[ . 1 . 2]" 1
16 1 3 GLU HB2 1 4 PHE H 2.650 . 3.500 2.922 1.983 3.528 0.028 17 0 "[ . 1 . 2]" 1
17 1 4 PHE HA 1 4 PHE HB3 2.650 . 3.500 2.779 2.357 3.047 . 0 0 "[ . 1 . 2]" 1
18 1 4 PHE HA 1 4 PHE HB2 2.650 . 3.500 2.648 2.388 3.033 . 0 0 "[ . 1 . 2]" 1
19 1 5 SER H 1 5 SER HA 2.650 . 3.500 2.794 2.050 2.933 . 0 0 "[ . 1 . 2]" 1
20 1 5 SER H 1 5 SER HB3 2.650 . 3.500 3.259 2.502 3.698 0.198 20 0 "[ . 1 . 2]" 1
21 1 4 PHE HA 1 5 SER H 2.650 . 3.500 2.473 2.009 3.542 0.042 20 0 "[ . 1 . 2]" 1
22 1 5 SER H 1 6 GLU HB2 3.750 . 5.700 5.064 4.452 5.829 0.129 9 0 "[ . 1 . 2]" 1
23 1 4 PHE HB2 1 5 SER H 3.150 . 4.500 4.073 2.710 4.539 0.039 3 0 "[ . 1 . 2]" 1
24 1 4 PHE HB3 1 5 SER H 3.150 . 4.500 3.708 2.166 4.502 0.002 13 0 "[ . 1 . 2]" 1
25 1 5 SER H 1 6 GLU H 2.650 . 3.500 2.695 2.090 3.599 0.099 18 0 "[ . 1 . 2]" 1
26 1 5 SER HA 1 5 SER HB3 2.650 . 3.500 2.494 2.253 3.050 . 0 0 "[ . 1 . 2]" 1
27 1 5 SER HA 1 5 SER HB2 2.650 . 3.500 2.817 2.438 3.033 . 0 0 "[ . 1 . 2]" 1
28 1 6 GLU H 1 7 GLU HG3 3.750 . 5.700 4.713 3.254 5.813 0.113 15 0 "[ . 1 . 2]" 1
29 1 6 GLU H 1 6 GLU HB2 2.650 . 3.500 2.884 2.290 3.532 0.032 20 0 "[ . 1 . 2]" 1
30 1 5 SER HB3 1 6 GLU H 3.150 . 4.500 3.825 1.985 4.531 0.031 15 0 "[ . 1 . 2]" 1
31 1 5 SER HA 1 6 GLU H 2.650 . 3.500 3.154 2.123 3.540 0.040 13 0 "[ . 1 . 2]" 1
32 1 6 GLU HA 1 6 GLU HB3 2.650 . 3.500 2.782 2.371 3.053 . 0 0 "[ . 1 . 2]" 1
33 1 6 GLU HA 1 6 GLU QG 3.150 . 4.500 2.600 2.310 3.147 . 0 0 "[ . 1 . 2]" 1
34 1 6 GLU HA 1 6 GLU HB2 2.650 . 3.500 2.744 2.409 3.038 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLU H 1 8 CYS H 2.650 . 3.500 2.932 2.027 3.593 0.093 18 0 "[ . 1 . 2]" 1
36 1 6 GLU HA 1 7 GLU H 2.300 . 2.800 2.369 2.001 3.014 0.214 7 0 "[ . 1 . 2]" 1
37 1 7 GLU H 1 7 GLU HA 2.650 . 3.500 2.780 2.145 2.939 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLU H 1 7 GLU HB2 2.900 . 4.000 2.846 2.400 4.018 0.018 10 0 "[ . 1 . 2]" 1
39 1 7 GLU HA 1 7 GLU HB2 2.650 . 3.500 2.936 2.533 3.049 . 0 0 "[ . 1 . 2]" 1
40 1 7 GLU HA 1 7 GLU HB3 2.650 . 3.500 2.490 2.250 2.999 . 0 0 "[ . 1 . 2]" 1
41 1 7 GLU HB2 1 7 GLU HG3 2.650 . 3.500 2.484 2.349 3.019 . 0 0 "[ . 1 . 2]" 1
42 1 7 GLU HA 1 7 GLU HG3 3.150 . 4.500 3.214 2.290 3.888 . 0 0 "[ . 1 . 2]" 1
43 1 7 GLU HA 1 7 GLU HG2 3.150 . 4.500 2.933 2.454 4.211 . 0 0 "[ . 1 . 2]" 1
44 1 7 GLU HB2 1 8 CYS H 3.150 . 4.500 3.383 1.789 4.464 0.011 2 0 "[ . 1 . 2]" 1
45 1 7 GLU HA 1 8 CYS H 2.650 . 3.500 3.000 2.130 3.542 0.042 11 0 "[ . 1 . 2]" 1
46 1 8 CYS H 1 8 CYS HB3 2.900 . 4.000 3.396 2.951 3.646 . 0 0 "[ . 1 . 2]" 1
47 1 8 CYS H 1 8 CYS HB2 2.900 . 4.000 3.847 3.627 4.026 0.026 11 0 "[ . 1 . 2]" 1
48 1 8 CYS H 1 8 CYS HA 2.650 . 3.500 2.855 2.745 2.946 . 0 0 "[ . 1 . 2]" 1
49 1 8 CYS H 1 9 MET H 3.150 . 4.500 4.242 4.091 4.413 . 0 0 "[ . 1 . 2]" 1
50 1 8 CYS H 1 82 ILE MG 3.750 . 5.700 5.230 3.853 5.778 0.078 14 0 "[ . 1 . 2]" 1
51 1 7 GLU HB3 1 8 CYS H 3.150 . 4.500 3.648 1.993 4.536 0.036 10 0 "[ . 1 . 2]" 1
52 1 8 CYS HA 1 8 CYS HB3 2.650 . 3.500 2.382 2.293 2.480 . 0 0 "[ . 1 . 2]" 1
53 1 8 CYS HA 1 8 CYS HB2 2.650 . 3.500 2.526 2.440 2.670 . 0 0 "[ . 1 . 2]" 1
54 1 8 CYS HA 1 83 PRO HB2 3.150 . 4.500 1.908 1.743 2.376 0.057 6 0 "[ . 1 . 2]" 1
55 1 8 CYS HA 1 82 ILE MG 3.750 . 5.700 3.461 2.093 4.312 . 0 0 "[ . 1 . 2]" 1
56 1 8 CYS HB2 1 85 CYS HA 2.650 . 3.500 3.492 2.521 3.599 0.099 7 0 "[ . 1 . 2]" 1
57 1 8 CYS HB3 1 9 MET H 2.650 . 3.500 3.579 3.495 3.645 0.145 10 0 "[ . 1 . 2]" 1
58 1 9 MET H 1 85 CYS H 2.650 . 3.500 3.107 2.691 3.516 0.016 20 0 "[ . 1 . 2]" 1
59 1 9 MET H 1 82 ILE MG 3.750 . 5.700 3.292 2.571 4.360 . 0 0 "[ . 1 . 2]" 1
60 1 8 CYS HB2 1 9 MET H 3.150 . 4.500 2.422 2.025 2.779 . 0 0 "[ . 1 . 2]" 1
61 1 8 CYS HA 1 9 MET H 2.650 . 3.500 2.260 2.007 2.780 . 0 0 "[ . 1 . 2]" 1
62 1 9 MET H 1 83 PRO HB3 3.150 . 4.500 4.608 4.519 4.742 0.242 6 0 "[ . 1 . 2]" 1
63 1 9 MET H 1 9 MET HB2 2.650 . 3.500 2.899 2.335 3.680 0.180 6 0 "[ . 1 . 2]" 1
64 1 9 MET HA 1 9 MET HB2 2.650 . 3.500 2.764 2.382 3.031 . 0 0 "[ . 1 . 2]" 1
65 1 9 MET HB3 1 9 MET HG3 2.650 . 3.500 2.629 2.243 3.037 . 0 0 "[ . 1 . 2]" 1
66 1 9 MET HA 1 10 HIS H 2.650 . 3.500 2.146 1.801 2.477 . 0 0 "[ . 1 . 2]" 1
67 1 10 HIS H 1 10 HIS HB2 2.650 . 3.500 2.893 2.439 3.568 0.068 15 0 "[ . 1 . 2]" 1
68 1 10 HIS H 1 10 HIS HB3 2.650 . 3.500 2.774 2.189 3.583 0.083 7 0 "[ . 1 . 2]" 1
69 1 10 HIS H 1 10 HIS HA 2.650 . 3.500 2.848 2.699 2.937 . 0 0 "[ . 1 . 2]" 1
70 1 9 MET HB3 1 10 HIS H 2.650 . 3.500 3.101 2.093 3.654 0.154 8 0 "[ . 1 . 2]" 1
71 1 9 MET HB2 1 10 HIS H 3.150 . 4.500 3.559 2.255 4.327 . 0 0 "[ . 1 . 2]" 1
72 1 9 MET H 1 10 HIS H 3.150 . 4.500 4.416 4.228 4.527 0.027 9 0 "[ . 1 . 2]" 1
73 1 10 HIS HA 1 10 HIS HB3 2.650 . 3.500 2.724 2.315 3.042 . 0 0 "[ . 1 . 2]" 1
74 1 10 HIS HA 1 10 HIS HB2 2.650 . 3.500 2.585 2.336 3.022 . 0 0 "[ . 1 . 2]" 1
75 1 10 HIS HA 1 11 GLY H 3.150 . 4.500 2.353 2.017 3.516 . 0 0 "[ . 1 . 2]" 1
76 1 12 SER H 1 12 SER QB 2.650 . 3.500 2.542 2.300 2.773 . 0 0 "[ . 1 . 2]" 1
77 1 12 SER H 1 14 GLU H 3.750 . 5.700 3.925 3.008 5.092 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLY HA2 1 12 SER H 2.650 . 3.500 3.269 2.835 3.538 0.038 2 0 "[ . 1 . 2]" 1
79 1 11 GLY HA3 1 12 SER H 2.650 . 3.500 2.273 2.083 3.151 . 0 0 "[ . 1 . 2]" 1
80 1 12 SER H 1 12 SER HA 2.650 . 3.500 2.846 2.756 2.918 . 0 0 "[ . 1 . 2]" 1
81 1 12 SER HA 1 12 SER QB 2.650 . 3.500 2.267 2.155 2.391 . 0 0 "[ . 1 . 2]" 1
82 1 13 GLY H 1 14 GLU HA 3.750 . 5.700 5.076 4.836 5.605 . 0 0 "[ . 1 . 2]" 1
83 1 9 MET HB2 1 13 GLY H 3.750 . 5.700 5.190 3.623 5.798 0.098 18 0 "[ . 1 . 2]" 1
84 1 10 HIS HD2 1 13 GLY H 3.750 . 5.700 4.636 2.515 5.618 . 0 0 "[ . 1 . 2]" 1
85 1 12 SER HA 1 13 GLY H 3.150 . 4.500 3.413 3.264 3.582 . 0 0 "[ . 1 . 2]" 1
86 1 13 GLY H 1 15 ASN H 3.150 . 4.500 3.548 3.115 4.163 . 0 0 "[ . 1 . 2]" 1
87 1 13 GLY H 1 16 TYR H 3.750 . 5.700 4.852 4.057 5.718 0.018 9 0 "[ . 1 . 2]" 1
88 1 13 GLY H 1 13 GLY HA3 2.650 . 3.500 2.894 2.789 2.933 . 0 0 "[ . 1 . 2]" 1
89 1 14 GLU H 1 14 GLU QB 2.650 . 3.500 2.391 2.208 2.556 . 0 0 "[ . 1 . 2]" 1
90 1 14 GLU H 1 16 TYR H 3.750 . 5.700 4.015 3.742 4.337 . 0 0 "[ . 1 . 2]" 1
91 1 14 GLU H 1 15 ASN H 3.150 . 4.500 2.511 2.289 2.738 . 0 0 "[ . 1 . 2]" 1
92 1 14 GLU H 1 14 GLU QG 3.150 . 4.500 2.902 1.986 3.993 . 0 0 "[ . 1 . 2]" 1
93 1 14 GLU HA 1 14 GLU QB 2.650 . 3.500 2.379 2.335 2.419 . 0 0 "[ . 1 . 2]" 1
94 1 14 GLU HA 1 14 GLU QG 3.150 . 4.500 2.461 2.387 2.526 . 0 0 "[ . 1 . 2]" 1
95 1 14 GLU H 1 15 ASN HA 3.750 . 5.700 5.184 5.034 5.378 . 0 0 "[ . 1 . 2]" 1
96 1 14 GLU H 1 59 ASN HB2 3.150 . 4.500 4.554 4.505 4.596 0.096 12 0 "[ . 1 . 2]" 1
97 1 12 SER HA 1 14 GLU H 3.400 . 5.000 4.505 3.858 4.770 . 0 0 "[ . 1 . 2]" 1
98 1 13 GLY H 1 14 GLU H 2.650 . 3.500 2.455 2.144 3.102 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLY HA3 1 14 GLU H 2.650 . 3.500 3.274 2.840 3.451 . 0 0 "[ . 1 . 2]" 1
100 1 15 ASN H 1 15 ASN HA 2.650 . 3.500 2.907 2.859 2.954 . 0 0 "[ . 1 . 2]" 1
101 1 15 ASN H 1 15 ASN HB3 2.650 . 3.500 2.756 2.418 3.589 0.089 1 0 "[ . 1 . 2]" 1
102 1 15 ASN H 1 16 TYR H 3.150 . 4.500 2.564 2.314 2.778 . 0 0 "[ . 1 . 2]" 1
103 1 13 GLY HA3 1 15 ASN H 3.150 . 4.500 4.497 4.403 4.563 0.063 10 0 "[ . 1 . 2]" 1
104 1 14 GLU HA 1 15 ASN H 3.150 . 4.500 3.449 3.391 3.496 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLU QG 1 15 ASN H 3.750 . 5.700 4.005 3.738 4.322 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLU QB 1 15 ASN H 3.150 . 4.500 2.728 2.389 3.052 . 0 0 "[ . 1 . 2]" 1
107 1 15 ASN H 1 15 ASN HB2 2.650 . 3.500 2.598 2.246 2.930 . 0 0 "[ . 1 . 2]" 1
108 1 10 HIS HD2 1 15 ASN H 3.150 . 4.500 4.398 3.473 4.619 0.119 4 0 "[ . 1 . 2]" 1
109 1 15 ASN HA 1 15 ASN HB3 2.650 . 3.500 2.937 2.499 3.050 . 0 0 "[ . 1 . 2]" 1
110 1 15 ASN HA 1 15 ASN HB2 2.650 . 3.500 2.608 2.438 3.042 . 0 0 "[ . 1 . 2]" 1
111 1 15 ASN HA 1 15 ASN HD21 3.150 . 4.500 2.754 1.799 4.185 0.001 15 0 "[ . 1 . 2]" 1
112 1 15 ASN HA 1 15 ASN HD22 3.150 . 4.500 3.843 3.374 4.512 0.012 11 0 "[ . 1 . 2]" 1
113 1 15 ASN HB3 1 15 ASN HD22 2.900 . 4.000 3.982 3.430 4.038 0.038 14 0 "[ . 1 . 2]" 1
114 1 15 ASN HB2 1 15 ASN HD22 2.650 . 3.500 3.528 3.446 3.620 0.120 18 0 "[ . 1 . 2]" 1
115 1 15 ASN HA 1 16 TYR H 2.650 . 3.500 3.157 3.010 3.303 . 0 0 "[ . 1 . 2]" 1
116 1 15 ASN HB2 1 16 TYR H 3.150 . 4.500 4.309 3.790 4.520 0.020 4 0 "[ . 1 . 2]" 1
117 1 16 TYR HA 1 16 TYR QB 2.650 . 3.500 2.344 2.293 2.373 . 0 0 "[ . 1 . 2]" 1
118 1 16 TYR H 1 17 ASP H 3.150 . 4.500 4.377 4.218 4.539 0.039 3 0 "[ . 1 . 2]" 1
119 1 16 TYR H 1 16 TYR HA 2.650 . 3.500 2.871 2.816 2.921 . 0 0 "[ . 1 . 2]" 1
120 1 16 TYR H 1 16 TYR QB 2.650 . 3.500 2.301 2.207 2.387 . 0 0 "[ . 1 . 2]" 1
121 1 13 GLY HA3 1 16 TYR H 3.150 . 4.500 4.306 4.033 4.522 0.022 12 0 "[ . 1 . 2]" 1
122 1 16 TYR HA 1 16 TYR QD 2.650 . 3.500 2.734 2.455 3.005 . 0 0 "[ . 1 . 2]" 1
123 1 16 TYR QB 1 17 ASP H 3.150 . 4.500 3.835 3.642 3.950 . 0 0 "[ . 1 . 2]" 1
124 1 16 TYR HA 1 17 ASP H 2.650 . 3.500 2.119 2.053 2.170 . 0 0 "[ . 1 . 2]" 1
125 1 17 ASP H 1 17 ASP HA 2.650 . 3.500 2.928 2.892 2.959 . 0 0 "[ . 1 . 2]" 1
126 1 17 ASP H 1 18 GLY HA3 3.150 . 4.500 4.368 4.098 4.568 0.068 3 0 "[ . 1 . 2]" 1
127 1 17 ASP H 1 18 GLY HA2 3.150 . 4.500 4.404 4.218 4.502 0.002 2 0 "[ . 1 . 2]" 1
128 1 17 ASP H 1 17 ASP QB 2.650 . 3.500 2.628 2.224 3.038 . 0 0 "[ . 1 . 2]" 1
129 1 17 ASP HA 1 17 ASP QB 2.650 . 3.500 2.333 2.172 2.495 . 0 0 "[ . 1 . 2]" 1
130 1 18 GLY HA3 1 19 LYS H 2.650 . 3.500 2.612 2.418 2.807 . 0 0 "[ . 1 . 2]" 1
131 1 18 GLY HA2 1 19 LYS H 2.650 . 3.500 2.468 2.277 2.546 . 0 0 "[ . 1 . 2]" 1
132 1 19 LYS H 1 19 LYS HG3 3.150 . 4.500 3.052 2.202 4.097 . 0 0 "[ . 1 . 2]" 1
133 1 19 LYS H 1 19 LYS HG2 2.650 . 3.500 3.303 2.277 3.592 0.092 12 0 "[ . 1 . 2]" 1
134 1 19 LYS H 1 19 LYS HA 2.650 . 3.500 2.918 2.882 2.951 . 0 0 "[ . 1 . 2]" 1
135 1 19 LYS H 1 20 ILE H 3.150 . 3.500 2.779 2.320 3.525 0.025 19 0 "[ . 1 . 2]" 1
136 1 19 LYS H 1 19 LYS QB 2.650 . 3.500 2.603 2.380 3.135 . 0 0 "[ . 1 . 2]" 1
137 1 19 LYS HA 1 19 LYS HG3 3.150 . 4.500 3.551 3.062 4.294 . 0 0 "[ . 1 . 2]" 1
138 1 19 LYS HA 1 19 LYS QB 2.650 . 3.500 2.277 2.140 2.389 . 0 0 "[ . 1 . 2]" 1
139 1 19 LYS HA 1 56 TYR QD 3.150 . 4.500 3.109 2.512 3.459 . 0 0 "[ . 1 . 2]" 1
140 1 19 LYS HA 1 19 LYS HG2 3.150 . 4.500 2.944 2.305 3.792 . 0 0 "[ . 1 . 2]" 1
141 1 19 LYS QB 1 19 LYS QD 2.650 . 3.500 2.270 2.091 2.553 . 0 0 "[ . 1 . 2]" 1
142 1 19 LYS QB 1 19 LYS HG2 2.650 . 3.500 2.342 2.163 2.422 . 0 0 "[ . 1 . 2]" 1
143 1 19 LYS QD 1 19 LYS HG2 2.650 . 3.500 2.322 2.140 2.402 . 0 0 "[ . 1 . 2]" 1
144 1 19 LYS HG2 1 56 TYR QE 3.150 . 4.500 3.801 2.793 4.707 0.207 5 0 "[ . 1 . 2]" 1
145 1 19 LYS QD 1 19 LYS QE 2.300 . 2.800 2.063 1.995 2.102 . 0 0 "[ . 1 . 2]" 1
146 1 19 LYS QD 1 19 LYS HG3 2.650 . 3.500 2.347 2.173 2.452 . 0 0 "[ . 1 . 2]" 1
147 1 20 ILE H 1 20 ILE HG12 3.150 . 4.500 4.423 4.151 4.542 0.042 2 0 "[ . 1 . 2]" 1
148 1 20 ILE H 1 20 ILE MG 2.650 . 3.500 2.639 2.060 3.572 0.072 18 0 "[ . 1 . 2]" 1
149 1 20 ILE H 1 20 ILE HG13 3.150 . 4.500 4.025 3.067 4.529 0.029 5 0 "[ . 1 . 2]" 1
150 1 20 ILE H 1 20 ILE HA 2.650 . 3.500 2.846 2.782 2.908 . 0 0 "[ . 1 . 2]" 1
151 1 20 ILE H 1 20 ILE MD 3.150 . 4.500 4.293 3.821 4.557 0.057 19 0 "[ . 1 . 2]" 1
152 1 16 TYR QE 1 20 ILE H 3.150 . 4.500 3.079 2.153 4.065 . 0 0 "[ . 1 . 2]" 1
153 1 20 ILE H 1 21 SER H 3.400 . 5.000 4.485 4.256 4.647 . 0 0 "[ . 1 . 2]" 1
154 1 19 LYS HA 1 20 ILE H 2.650 . 3.500 3.018 2.471 3.298 . 0 0 "[ . 1 . 2]" 1
155 1 20 ILE H 1 20 ILE HB 2.300 . 2.800 2.490 2.213 2.806 0.006 5 0 "[ . 1 . 2]" 1
156 1 20 ILE HA 1 20 ILE HG13 2.650 . 3.500 2.393 2.301 2.477 . 0 0 "[ . 1 . 2]" 1
157 1 20 ILE HA 1 20 ILE HG12 2.650 . 3.500 2.800 2.349 3.065 . 0 0 "[ . 1 . 2]" 1
158 1 20 ILE HA 1 20 ILE MD 3.750 . 5.700 3.758 3.672 3.832 . 0 0 "[ . 1 . 2]" 1
159 1 20 ILE HB 1 20 ILE MD 3.150 . 4.500 2.410 2.346 2.462 . 0 0 "[ . 1 . 2]" 1
160 1 20 ILE HA 1 20 ILE HB 2.650 . 3.500 2.688 2.510 2.958 . 0 0 "[ . 1 . 2]" 1
161 1 20 ILE HB 1 20 ILE HG13 2.650 . 3.500 2.497 2.463 2.527 . 0 0 "[ . 1 . 2]" 1
162 1 20 ILE HB 1 82 ILE MD 3.750 . 5.700 3.741 2.654 4.557 . 0 0 "[ . 1 . 2]" 1
163 1 20 ILE MG 1 21 SER HB2 3.750 . 5.700 5.548 4.875 5.766 0.066 9 0 "[ . 1 . 2]" 1
164 1 20 ILE HA 1 21 SER H 2.300 . 2.800 2.136 1.853 2.313 . 0 0 "[ . 1 . 2]" 1
165 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.931 2.913 2.951 . 0 0 "[ . 1 . 2]" 1
166 1 20 ILE HB 1 21 SER H 3.150 . 4.500 4.263 4.147 4.398 . 0 0 "[ . 1 . 2]" 1
167 1 20 ILE HG12 1 21 SER H 2.650 . 3.500 2.919 2.354 3.530 0.030 12 0 "[ . 1 . 2]" 1
168 1 20 ILE MG 1 21 SER H 3.150 . 4.500 3.422 2.785 3.793 . 0 0 "[ . 1 . 2]" 1
169 1 20 ILE HG13 1 21 SER H 2.900 . 4.000 3.327 2.799 4.102 0.102 13 0 "[ . 1 . 2]" 1
170 1 21 SER H 1 57 CYS H 3.750 . 5.700 4.838 4.574 5.163 . 0 0 "[ . 1 . 2]" 1
171 1 21 SER H 1 22 LYS HA 3.750 . 5.700 4.574 4.459 4.752 . 0 0 "[ . 1 . 2]" 1
172 1 21 SER H 1 22 LYS QG 3.400 . 5.000 3.304 2.870 4.639 . 0 0 "[ . 1 . 2]" 1
173 1 21 SER H 1 22 LYS H 2.650 . 3.500 2.165 1.958 2.272 . 0 0 "[ . 1 . 2]" 1
174 1 21 SER H 1 56 TYR QD 3.750 . 5.700 4.350 3.666 4.935 . 0 0 "[ . 1 . 2]" 1
175 1 21 SER H 1 21 SER HB3 2.650 . 3.500 3.190 3.020 3.599 0.099 12 0 "[ . 1 . 2]" 1
176 1 21 SER H 1 21 SER HB2 3.150 . 4.500 3.614 2.406 3.794 . 0 0 "[ . 1 . 2]" 1
177 1 21 SER HA 1 56 TYR HA 2.650 . 3.500 2.541 2.288 2.963 . 0 0 "[ . 1 . 2]" 1
178 1 21 SER HA 1 21 SER HB3 2.650 . 3.500 2.369 2.255 2.443 . 0 0 "[ . 1 . 2]" 1
179 1 21 SER HA 1 21 SER HB2 2.650 . 3.500 2.524 2.424 2.984 . 0 0 "[ . 1 . 2]" 1
180 1 21 SER HB2 1 56 TYR HA 3.150 . 4.500 4.188 3.860 4.597 0.097 12 0 "[ . 1 . 2]" 1
181 1 21 SER HB3 1 56 TYR QD 3.150 . 4.500 2.264 1.847 3.878 . 0 0 "[ . 1 . 2]" 1
182 1 21 SER HB3 1 56 TYR HA 3.150 . 4.500 3.245 2.740 3.756 . 0 0 "[ . 1 . 2]" 1
183 1 20 ILE HB 1 22 LYS H 3.400 . 5.000 4.799 4.630 4.995 . 0 0 "[ . 1 . 2]" 1
184 1 21 SER HB3 1 22 LYS H 3.150 . 4.500 4.499 4.347 4.549 0.049 18 0 "[ . 1 . 2]" 1
185 1 21 SER HB2 1 22 LYS H 3.400 . 5.000 4.281 3.584 4.458 . 0 0 "[ . 1 . 2]" 1
186 1 22 LYS H 1 22 LYS HA 2.650 . 3.500 2.915 2.893 2.935 . 0 0 "[ . 1 . 2]" 1
187 1 22 LYS H 1 22 LYS QB 2.650 . 3.500 2.622 2.401 2.726 . 0 0 "[ . 1 . 2]" 1
188 1 22 LYS H 1 22 LYS QE 3.750 . 5.700 5.056 3.931 5.612 . 0 0 "[ . 1 . 2]" 1
189 1 20 ILE HG12 1 22 LYS H 2.650 . 3.500 2.544 1.872 3.607 0.107 18 0 "[ . 1 . 2]" 1
190 1 22 LYS H 1 57 CYS HB2 3.750 . 5.700 5.436 4.377 5.730 0.030 4 0 "[ . 1 . 2]" 1
191 1 22 LYS H 1 23 THR H 3.150 . 4.500 4.436 4.375 4.492 . 0 0 "[ . 1 . 2]" 1
192 1 22 LYS H 1 22 LYS QG 2.650 . 3.500 2.993 2.739 3.652 0.152 13 0 "[ . 1 . 2]" 1
193 1 21 SER HA 1 22 LYS H 2.650 . 3.500 3.122 2.963 3.292 . 0 0 "[ . 1 . 2]" 1
194 1 22 LYS H 1 29 CYS HB3 3.750 . 5.700 5.016 4.245 5.420 . 0 0 "[ . 1 . 2]" 1
195 1 20 ILE HA 1 22 LYS H 3.150 . 4.500 3.714 3.300 4.038 . 0 0 "[ . 1 . 2]" 1
196 1 20 ILE MD 1 22 LYS H 3.750 . 5.700 3.864 3.354 4.687 . 0 0 "[ . 1 . 2]" 1
197 1 22 LYS HA 1 22 LYS QB 2.650 . 3.500 2.377 2.336 2.412 . 0 0 "[ . 1 . 2]" 1
198 1 22 LYS HA 1 28 GLU HA 2.650 . 3.500 2.791 2.406 3.229 . 0 0 "[ . 1 . 2]" 1
199 1 22 LYS QB 1 22 LYS QE 3.150 . 4.500 3.383 1.986 3.734 . 0 0 "[ . 1 . 2]" 1
200 1 22 LYS QB 1 23 THR H 3.150 . 4.500 2.720 2.496 2.895 . 0 0 "[ . 1 . 2]" 1
201 1 22 LYS HA 1 23 THR H 2.300 . 2.800 2.308 2.230 2.419 . 0 0 "[ . 1 . 2]" 1
202 1 23 THR H 1 27 LEU HA 3.150 . 4.500 4.336 4.210 4.432 . 0 0 "[ . 1 . 2]" 1
203 1 23 THR H 1 25 SER H 3.150 . 4.500 4.464 4.269 4.536 0.036 7 0 "[ . 1 . 2]" 1
204 1 23 THR H 1 23 THR HA 2.650 . 3.500 2.885 2.869 2.907 . 0 0 "[ . 1 . 2]" 1
205 1 23 THR H 1 23 THR HG1 2.650 . 3.500 3.345 3.233 3.452 . 0 0 "[ . 1 . 2]" 1
206 1 23 THR H 1 26 GLY HA3 3.150 . 4.500 4.622 4.592 4.666 0.166 11 0 "[ . 1 . 2]" 1
207 1 23 THR H 1 26 GLY H 3.150 . 3.500 3.284 3.159 3.394 . 0 0 "[ . 1 . 2]" 1
208 1 23 THR H 1 27 LEU HB3 3.150 . 4.500 4.601 4.561 4.635 0.135 12 0 "[ . 1 . 2]" 1
209 1 23 THR HA 1 23 THR MG 3.150 . 4.500 2.345 2.297 2.377 . 0 0 "[ . 1 . 2]" 1
210 1 23 THR HB 1 78 GLU HB3 3.150 . 4.500 2.347 1.989 2.999 . 0 0 "[ . 1 . 2]" 1
211 1 23 THR HB 1 78 GLU HB2 2.650 . 3.500 2.924 2.107 3.558 0.058 10 0 "[ . 1 . 2]" 1
212 1 23 THR MG 1 78 GLU HB2 2.650 . 3.500 2.444 1.906 3.190 . 0 0 "[ . 1 . 2]" 1
213 1 23 THR HG1 1 24 MET H 3.150 . 4.500 3.490 3.014 3.907 . 0 0 "[ . 1 . 2]" 1
214 1 23 THR H 1 24 MET H 3.150 . 4.500 4.477 4.401 4.535 0.035 18 0 "[ . 1 . 2]" 1
215 1 24 MET H 1 24 MET HG3 2.650 . 3.500 2.713 2.027 3.404 . 0 0 "[ . 1 . 2]" 1
216 1 24 MET H 1 24 MET HB3 2.650 . 3.500 2.582 2.466 2.710 . 0 0 "[ . 1 . 2]" 1
217 1 24 MET H 1 24 MET HB2 2.650 . 3.500 3.575 3.544 3.606 0.106 18 0 "[ . 1 . 2]" 1
218 1 24 MET H 1 24 MET HA 2.650 . 3.500 2.790 2.769 2.809 . 0 0 "[ . 1 . 2]" 1
219 1 23 THR HA 1 24 MET H 2.300 . 2.800 2.714 2.643 2.835 0.035 6 0 "[ . 1 . 2]" 1
220 1 23 THR MG 1 24 MET H 3.150 . 4.500 3.619 3.492 3.702 . 0 0 "[ . 1 . 2]" 1
221 1 24 MET HA 1 24 MET HB2 2.650 . 3.500 2.451 2.386 2.506 . 0 0 "[ . 1 . 2]" 1
222 1 24 MET HA 1 24 MET HB3 2.650 . 3.500 2.434 2.374 2.495 . 0 0 "[ . 1 . 2]" 1
223 1 24 MET HA 1 81 ASP HB3 3.150 . 3.500 3.007 2.374 3.494 . 0 0 "[ . 1 . 2]" 1
224 1 24 MET HB2 1 24 MET HG2 2.650 . 3.500 2.758 2.481 3.013 . 0 0 "[ . 1 . 2]" 1
225 1 24 MET HB2 1 24 MET HG3 2.650 . 3.500 2.695 2.348 3.013 . 0 0 "[ . 1 . 2]" 1
226 1 24 MET HB3 1 24 MET HG3 2.300 . 2.800 2.749 2.491 2.962 0.162 18 0 "[ . 1 . 2]" 1
227 1 24 MET HG2 1 79 TYR QD 3.750 . 5.700 4.578 3.856 5.267 . 0 0 "[ . 1 . 2]" 1
228 1 24 MET HB3 1 24 MET HG2 2.650 . 3.500 2.378 2.312 2.474 . 0 0 "[ . 1 . 2]" 1
229 1 25 SER H 1 78 GLU HG2 3.750 . 5.700 4.994 3.784 5.778 0.078 18 0 "[ . 1 . 2]" 1
230 1 23 THR HG1 1 25 SER H 2.650 . 3.500 2.445 2.249 2.790 . 0 0 "[ . 1 . 2]" 1
231 1 24 MET HG2 1 25 SER H 3.150 . 4.500 3.698 2.645 4.506 0.006 8 0 "[ . 1 . 2]" 1
232 1 25 SER H 1 25 SER HA 2.300 . 2.800 2.847 2.828 2.861 0.061 1 0 "[ . 1 . 2]" 1
233 1 25 SER H 1 25 SER HB3 2.650 . 3.500 3.184 2.683 3.549 0.049 5 0 "[ . 1 . 2]" 1
234 1 25 SER H 1 25 SER HB2 2.650 . 3.500 2.902 2.327 3.563 0.063 9 0 "[ . 1 . 2]" 1
235 1 25 SER H 1 25 SER HG 2.650 . 3.500 2.550 1.864 3.088 . 0 0 "[ . 1 . 2]" 1
236 1 24 MET HG3 1 25 SER H 3.150 . 4.500 2.848 2.612 3.192 . 0 0 "[ . 1 . 2]" 1
237 1 25 SER H 1 27 LEU H 2.650 . 3.500 3.434 3.316 3.558 0.058 8 0 "[ . 1 . 2]" 1
238 1 25 SER H 1 26 GLY H 2.650 . 2.800 2.316 2.141 2.472 . 0 0 "[ . 1 . 2]" 1
239 1 24 MET H 1 25 SER H 2.650 . 3.500 2.669 2.568 2.776 . 0 0 "[ . 1 . 2]" 1
240 1 25 SER HA 1 25 SER HB3 2.300 . 2.800 2.394 2.301 2.455 . 0 0 "[ . 1 . 2]" 1
241 1 25 SER HA 1 25 SER HB2 2.300 . 2.800 2.762 2.479 2.963 0.163 19 0 "[ . 1 . 2]" 1
242 1 26 GLY H 1 26 GLY HA2 2.650 . 3.500 2.278 2.244 2.318 . 0 0 "[ . 1 . 2]" 1
243 1 25 SER HA 1 26 GLY H 2.650 . 3.500 3.308 3.207 3.413 . 0 0 "[ . 1 . 2]" 1
244 1 24 MET H 1 26 GLY H 3.150 . 4.500 3.771 3.685 3.892 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLY H 1 27 LEU HB2 3.750 . 5.700 4.483 4.257 4.671 . 0 0 "[ . 1 . 2]" 1
246 1 25 SER HG 1 26 GLY H 3.750 . 5.700 4.355 3.518 4.910 . 0 0 "[ . 1 . 2]" 1
247 1 25 SER HB2 1 26 GLY H 3.150 . 4.500 3.664 2.971 4.232 . 0 0 "[ . 1 . 2]" 1
248 1 26 GLY H 1 26 GLY HA3 2.650 . 3.500 2.871 2.822 2.915 . 0 0 "[ . 1 . 2]" 1
249 1 22 LYS QB 1 26 GLY H 3.400 . 5.000 3.948 3.688 4.266 . 0 0 "[ . 1 . 2]" 1
250 1 22 LYS HA 1 26 GLY H 3.750 . 5.700 5.290 5.178 5.463 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLY H 1 27 LEU H 2.300 . 2.800 2.390 2.176 2.548 . 0 0 "[ . 1 . 2]" 1
252 1 22 LYS QB 1 26 GLY HA3 3.150 . 4.500 3.570 3.313 3.833 . 0 0 "[ . 1 . 2]" 1
253 1 26 GLY HA3 1 27 LEU H 2.650 . 3.500 3.436 3.365 3.479 . 0 0 "[ . 1 . 2]" 1
254 1 22 LYS HA 1 27 LEU H 3.750 . 5.700 4.482 4.218 4.699 . 0 0 "[ . 1 . 2]" 1
255 1 23 THR H 1 27 LEU H 2.650 . 3.500 2.587 2.406 2.765 . 0 0 "[ . 1 . 2]" 1
256 1 25 SER HA 1 27 LEU H 3.400 . 5.000 4.688 4.488 4.831 . 0 0 "[ . 1 . 2]" 1
257 1 23 THR HG1 1 27 LEU H 2.650 . 3.500 2.450 2.277 2.586 . 0 0 "[ . 1 . 2]" 1
258 1 26 GLY HA2 1 27 LEU H 2.650 . 3.500 3.012 2.949 3.141 . 0 0 "[ . 1 . 2]" 1
259 1 27 LEU H 1 28 GLU H 3.150 . 4.500 4.468 4.409 4.496 . 0 0 "[ . 1 . 2]" 1
260 1 27 LEU H 1 27 LEU MD1 3.150 . 4.500 3.573 2.069 3.804 . 0 0 "[ . 1 . 2]" 1
261 1 27 LEU H 1 27 LEU HB3 2.650 . 3.500 3.520 3.505 3.539 0.039 5 0 "[ . 1 . 2]" 1
262 1 27 LEU H 1 27 LEU HG 2.650 . 3.500 2.642 2.442 3.604 0.104 8 0 "[ . 1 . 2]" 1
263 1 27 LEU H 1 27 LEU HB2 2.650 . 3.500 2.321 2.288 2.369 . 0 0 "[ . 1 . 2]" 1
264 1 27 LEU HA 1 27 LEU HB2 2.650 . 3.500 2.983 2.970 2.993 . 0 0 "[ . 1 . 2]" 1
265 1 27 LEU HB3 1 27 LEU HG 2.650 . 3.500 3.016 2.563 3.048 . 0 0 "[ . 1 . 2]" 1
266 1 27 LEU HB2 1 27 LEU HG 2.650 . 3.500 2.555 2.444 2.994 . 0 0 "[ . 1 . 2]" 1
267 1 27 LEU HB2 1 27 LEU MD1 3.150 . 4.500 2.348 2.294 2.423 . 0 0 "[ . 1 . 2]" 1
268 1 27 LEU HA 1 27 LEU HB3 2.650 . 3.500 2.483 2.446 2.513 . 0 0 "[ . 1 . 2]" 1
269 1 27 LEU HB3 1 27 LEU MD2 3.150 . 4.500 2.340 2.251 2.468 . 0 0 "[ . 1 . 2]" 1
270 1 27 LEU MD2 1 72 ASP HB2 3.150 . 4.500 2.910 2.162 3.872 . 0 0 "[ . 1 . 2]" 1
271 1 27 LEU MD2 1 72 ASP HB3 3.150 . 4.500 3.929 2.271 4.539 0.039 14 0 "[ . 1 . 2]" 1
272 1 27 LEU HA 1 27 LEU MD2 3.150 . 4.500 2.150 2.010 3.669 . 0 0 "[ . 1 . 2]" 1
273 1 27 LEU MD2 1 70 THR MG 2.650 . 3.500 3.482 2.396 3.590 0.090 2 0 "[ . 1 . 2]" 1
274 1 27 LEU MD1 1 78 GLU HG2 3.750 . 5.700 4.228 2.711 5.272 . 0 0 "[ . 1 . 2]" 1
275 1 27 LEU MD1 1 75 LYS HG3 3.150 . 4.500 4.028 2.368 4.593 0.093 1 0 "[ . 1 . 2]" 1
276 1 27 LEU HA 1 27 LEU HG 2.650 . 3.500 3.006 2.405 3.168 . 0 0 "[ . 1 . 2]" 1
277 1 28 GLU H 1 28 GLU HA 2.650 . 3.500 2.896 2.868 2.914 . 0 0 "[ . 1 . 2]" 1
278 1 27 LEU MD2 1 28 GLU H 3.750 . 5.700 3.295 3.146 3.848 . 0 0 "[ . 1 . 2]" 1
279 1 22 LYS HA 1 28 GLU H 3.750 . 5.700 4.825 4.580 5.098 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU HA 1 28 GLU H 2.300 . 2.800 2.317 2.214 2.413 . 0 0 "[ . 1 . 2]" 1
281 1 22 LYS QD 1 28 GLU H 3.750 . 5.700 5.421 3.748 5.759 0.059 13 0 "[ . 1 . 2]" 1
282 1 28 GLU H 1 28 GLU QG 3.150 . 4.500 3.979 2.724 4.117 . 0 0 "[ . 1 . 2]" 1
283 1 27 LEU HB2 1 28 GLU H 2.650 . 3.500 3.584 3.545 3.618 0.118 16 0 "[ . 1 . 2]" 1
284 1 28 GLU H 1 71 THR H 3.150 . 4.500 4.279 3.882 4.501 0.001 13 0 "[ . 1 . 2]" 1
285 1 28 GLU H 1 28 GLU HB2 2.300 . 2.800 2.590 2.393 2.811 0.011 4 0 "[ . 1 . 2]" 1
286 1 22 LYS QB 1 28 GLU HA 3.150 . 4.500 4.029 3.623 4.403 . 0 0 "[ . 1 . 2]" 1
287 1 22 LYS QG 1 28 GLU HA 2.650 . 3.500 2.719 2.025 3.736 0.236 3 0 "[ . 1 . 2]" 1
288 1 28 GLU HA 1 28 GLU QG 3.150 . 4.500 2.633 2.207 2.897 . 0 0 "[ . 1 . 2]" 1
289 1 28 GLU HA 1 28 GLU HB2 2.650 . 3.500 2.553 2.449 2.991 . 0 0 "[ . 1 . 2]" 1
290 1 28 GLU HB3 1 28 GLU QG 2.300 . 2.800 2.229 2.143 2.363 . 0 0 "[ . 1 . 2]" 1
291 1 28 GLU HA 1 28 GLU HB3 2.650 . 3.500 2.990 2.483 3.034 . 0 0 "[ . 1 . 2]" 1
292 1 28 GLU HB2 1 28 GLU QG 2.300 . 2.800 2.361 2.260 2.403 . 0 0 "[ . 1 . 2]" 1
293 1 22 LYS H 1 29 CYS H 3.400 . 5.000 4.912 4.758 5.017 0.017 15 0 "[ . 1 . 2]" 1
294 1 22 LYS HB3 1 29 CYS H 3.750 . 5.700 5.354 5.013 5.721 0.021 8 0 "[ . 1 . 2]" 1
295 1 21 SER HA 1 29 CYS H 3.750 . 5.700 4.256 4.021 4.640 . 0 0 "[ . 1 . 2]" 1
296 1 22 LYS QG 1 29 CYS H 3.150 . 4.500 3.872 3.259 4.526 0.026 13 0 "[ . 1 . 2]" 1
297 1 22 LYS HA 1 29 CYS H 2.650 . 3.500 3.097 2.864 3.457 . 0 0 "[ . 1 . 2]" 1
298 1 29 CYS H 1 29 CYS HB3 2.300 . 2.800 2.388 2.306 2.479 . 0 0 "[ . 1 . 2]" 1
299 1 28 GLU HA 1 29 CYS H 2.300 . 2.800 2.154 1.974 2.252 . 0 0 "[ . 1 . 2]" 1
300 1 28 GLU QG 1 29 CYS H 2.650 . 3.500 2.779 2.493 3.558 0.058 13 0 "[ . 1 . 2]" 1
301 1 28 GLU HB3 1 29 CYS H 3.150 . 4.500 3.949 2.761 4.208 . 0 0 "[ . 1 . 2]" 1
302 1 29 CYS H 1 30 GLN H 3.400 . 5.000 4.441 4.385 4.475 . 0 0 "[ . 1 . 2]" 1
303 1 29 CYS H 1 71 THR H 3.750 . 5.700 5.051 4.665 5.267 . 0 0 "[ . 1 . 2]" 1
304 1 29 CYS H 1 55 ASN HD21 3.750 . 5.700 3.103 2.725 3.463 . 0 0 "[ . 1 . 2]" 1
305 1 29 CYS H 1 29 CYS HA 2.650 . 3.500 2.848 2.821 2.879 . 0 0 "[ . 1 . 2]" 1
306 1 29 CYS H 1 29 CYS HB2 2.650 . 3.500 2.809 2.660 2.933 . 0 0 "[ . 1 . 2]" 1
307 1 23 THR H 1 29 CYS H 3.750 . 5.700 4.687 4.489 5.057 . 0 0 "[ . 1 . 2]" 1
308 1 29 CYS HA 1 70 THR HA 2.650 . 3.500 2.656 2.433 2.967 . 0 0 "[ . 1 . 2]" 1
309 1 29 CYS HA 1 71 THR MG 3.750 . 5.700 4.170 3.397 5.548 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLN H 1 69 PHE HB3 3.150 . 4.500 3.856 3.558 4.011 . 0 0 "[ . 1 . 2]" 1
311 1 30 GLN H 1 30 GLN HB3 2.650 . 3.500 2.348 2.208 2.437 . 0 0 "[ . 1 . 2]" 1
312 1 29 CYS HA 1 30 GLN H 2.650 . 3.500 2.097 2.045 2.158 . 0 0 "[ . 1 . 2]" 1
313 1 29 CYS HB2 1 30 GLN H 2.650 . 3.500 3.591 3.569 3.610 0.110 13 0 "[ . 1 . 2]" 1
314 1 30 GLN H 1 30 GLN HA 2.650 . 3.500 2.917 2.897 2.934 . 0 0 "[ . 1 . 2]" 1
315 1 30 GLN H 1 70 THR HA 2.650 . 3.500 3.360 3.127 3.519 0.019 8 0 "[ . 1 . 2]" 1
316 1 30 GLN H 1 69 PHE HB2 3.150 . 4.500 3.354 3.182 3.506 . 0 0 "[ . 1 . 2]" 1
317 1 29 CYS HB3 1 30 GLN H 3.150 . 4.500 3.830 3.713 3.921 . 0 0 "[ . 1 . 2]" 1
318 1 30 GLN H 1 30 GLN HB2 2.650 . 3.500 2.877 2.703 3.070 . 0 0 "[ . 1 . 2]" 1
319 1 30 GLN H 1 30 GLN HG2 3.150 . 4.500 4.265 4.055 4.353 . 0 0 "[ . 1 . 2]" 1
320 1 30 GLN HA 1 30 GLN HG3 3.150 . 4.500 2.727 2.610 2.876 . 0 0 "[ . 1 . 2]" 1
321 1 30 GLN HA 1 30 GLN HG2 3.150 . 4.500 3.161 2.961 3.464 . 0 0 "[ . 1 . 2]" 1
322 1 30 GLN HA 1 30 GLN HB3 2.650 . 3.500 3.023 2.987 3.036 . 0 0 "[ . 1 . 2]" 1
323 1 30 GLN HA 1 30 GLN HB2 2.650 . 3.500 2.400 2.313 2.446 . 0 0 "[ . 1 . 2]" 1
324 1 30 GLN HB2 1 30 GLN HG2 2.650 . 3.500 3.006 2.986 3.017 . 0 0 "[ . 1 . 2]" 1
325 1 30 GLN HE21 1 30 GLN HG2 3.150 . 4.500 2.273 2.148 2.772 . 0 0 "[ . 1 . 2]" 1
326 1 30 GLN HE21 1 36 SER HA 3.750 . 5.700 4.619 3.888 4.917 . 0 0 "[ . 1 . 2]" 1
327 1 30 GLN HE22 1 35 GLN HA 3.150 . 4.500 3.126 2.555 3.864 . 0 0 "[ . 1 . 2]" 1
328 1 31 ALA H 1 31 ALA HA 2.300 . 2.800 2.767 2.742 2.794 . 0 0 "[ . 1 . 2]" 1
329 1 31 ALA H 1 34 SER H 3.750 . 5.700 4.714 4.479 5.014 . 0 0 "[ . 1 . 2]" 1
330 1 31 ALA H 1 31 ALA MB 2.650 . 3.500 2.213 2.193 2.232 . 0 0 "[ . 1 . 2]" 1
331 1 30 GLN HA 1 31 ALA H 2.300 . 2.800 2.167 2.106 2.233 . 0 0 "[ . 1 . 2]" 1
332 1 30 GLN H 1 31 ALA H 3.150 . 4.500 4.445 4.390 4.498 . 0 0 "[ . 1 . 2]" 1
333 1 31 ALA H 1 55 ASN HB2 2.650 . 3.500 3.540 3.510 3.576 0.076 15 0 "[ . 1 . 2]" 1
334 1 31 ALA H 1 32 TRP H 3.150 . 4.500 4.526 4.514 4.541 0.041 13 0 "[ . 1 . 2]" 1
335 1 30 GLN HB2 1 31 ALA H 3.150 . 4.500 4.122 3.966 4.234 . 0 0 "[ . 1 . 2]" 1
336 1 31 ALA H 1 55 ASN HA 3.400 . 5.000 4.282 3.928 4.491 . 0 0 "[ . 1 . 2]" 1
337 1 30 GLN HG2 1 31 ALA H 2.650 . 3.500 3.021 2.652 3.483 . 0 0 "[ . 1 . 2]" 1
338 1 31 ALA HA 1 55 ASN HB2 2.650 . 3.500 3.133 2.874 3.420 . 0 0 "[ . 1 . 2]" 1
339 1 31 ALA HA 1 55 ASN HA 2.650 . 3.500 2.100 1.937 2.272 . 0 0 "[ . 1 . 2]" 1
340 1 31 ALA HA 1 55 ASN HB3 2.650 . 3.500 2.253 2.035 2.560 . 0 0 "[ . 1 . 2]" 1
341 1 31 ALA MB 1 55 ASN HB2 3.150 . 4.500 3.865 3.710 4.004 . 0 0 "[ . 1 . 2]" 1
342 1 31 ALA MB 1 32 TRP H 3.150 . 4.500 2.966 2.838 3.127 . 0 0 "[ . 1 . 2]" 1
343 1 32 TRP H 1 34 SER H 3.150 . 4.500 4.081 3.926 4.253 . 0 0 "[ . 1 . 2]" 1
344 1 32 TRP H 1 32 TRP HD1 2.650 . 3.500 2.721 2.609 2.829 . 0 0 "[ . 1 . 2]" 1
345 1 32 TRP H 1 32 TRP HA 2.300 . 2.800 2.779 2.741 2.813 0.013 16 0 "[ . 1 . 2]" 1
346 1 32 TRP H 1 32 TRP HB2 2.650 . 3.500 2.536 2.494 2.599 . 0 0 "[ . 1 . 2]" 1
347 1 32 TRP H 1 55 ASN HA 2.650 . 3.500 2.890 2.673 3.119 . 0 0 "[ . 1 . 2]" 1
348 1 32 TRP H 1 33 ASP H 2.650 . 3.500 2.636 2.348 2.811 . 0 0 "[ . 1 . 2]" 1
349 1 32 TRP H 1 32 TRP HB3 2.650 . 3.500 3.555 3.539 3.565 0.065 12 0 "[ . 1 . 2]" 1
350 1 31 ALA HA 1 32 TRP H 2.300 . 2.800 2.120 2.099 2.141 . 0 0 "[ . 1 . 2]" 1
351 1 32 TRP H 1 32 TRP HE1 3.150 . 4.500 4.516 4.412 4.576 0.076 17 0 "[ . 1 . 2]" 1
352 1 32 TRP HA 1 32 TRP HB2 2.650 . 3.500 3.018 3.004 3.030 . 0 0 "[ . 1 . 2]" 1
353 1 32 TRP HA 1 32 TRP HB3 2.650 . 3.500 2.435 2.405 2.467 . 0 0 "[ . 1 . 2]" 1
354 1 32 TRP HB3 1 44 PRO HG3 3.150 . 4.500 2.721 2.115 3.492 . 0 0 "[ . 1 . 2]" 1
355 1 32 TRP HB3 1 52 LEU HB2 3.750 . 5.700 4.606 3.621 5.319 . 0 0 "[ . 1 . 2]" 1
356 1 32 TRP HB2 1 44 PRO HG3 3.150 . 4.500 2.544 2.149 3.285 . 0 0 "[ . 1 . 2]" 1
357 1 32 TRP HE1 1 57 CYS H 3.400 . 5.000 4.847 4.709 4.971 . 0 0 "[ . 1 . 2]" 1
358 1 32 TRP HB2 1 32 TRP HE1 3.400 . 5.000 4.757 4.720 4.793 . 0 0 "[ . 1 . 2]" 1
359 1 32 TRP HE1 1 52 LEU HA 3.150 . 4.500 4.076 3.620 4.517 0.017 8 0 "[ . 1 . 2]" 1
360 1 32 TRP HE1 1 53 LYS HA 3.750 . 5.700 5.797 5.742 5.877 0.177 12 0 "[ . 1 . 2]" 1
361 1 32 TRP HE1 1 55 ASN HA 3.150 . 4.500 3.921 3.630 4.193 . 0 0 "[ . 1 . 2]" 1
362 1 32 TRP HE1 1 56 TYR HA 3.150 . 4.500 4.571 4.529 4.643 0.143 12 0 "[ . 1 . 2]" 1
363 1 32 TRP HE1 1 56 TYR H 2.650 . 3.500 3.117 2.849 3.383 . 0 0 "[ . 1 . 2]" 1
364 1 32 TRP HE1 1 52 LEU MD1 3.750 . 5.700 4.121 3.271 5.198 . 0 0 "[ . 1 . 2]" 1
365 1 32 TRP HE1 1 52 LEU HG 3.750 . 5.700 4.603 4.065 5.788 0.088 20 0 "[ . 1 . 2]" 1
366 1 32 TRP HE1 1 58 ARG HB3 3.150 . 4.500 4.644 4.572 4.717 0.217 12 0 "[ . 1 . 2]" 1
367 1 32 TRP HE1 1 58 ARG HG2 3.150 . 4.500 2.387 1.803 4.627 0.127 11 0 "[ . 1 . 2]" 1
368 1 32 TRP HE1 1 58 ARG HG3 3.150 . 4.500 3.118 2.206 3.585 . 0 0 "[ . 1 . 2]" 1
369 1 32 TRP HE1 1 69 PHE H 3.750 . 5.700 5.746 5.585 5.854 0.154 11 0 "[ . 1 . 2]" 1
370 1 33 ASP H 1 34 SER H 2.650 . 3.500 2.467 2.339 2.642 . 0 0 "[ . 1 . 2]" 1
371 1 33 ASP H 1 44 PRO HG3 3.150 . 4.500 3.938 3.707 4.305 . 0 0 "[ . 1 . 2]" 1
372 1 32 TRP HA 1 33 ASP H 2.650 . 3.500 3.440 3.331 3.491 . 0 0 "[ . 1 . 2]" 1
373 1 33 ASP H 1 34 SER HB2 3.150 . 4.500 4.504 4.269 4.546 0.046 12 0 "[ . 1 . 2]" 1
374 1 32 TRP HD1 1 33 ASP H 3.750 . 5.700 4.539 4.184 4.811 . 0 0 "[ . 1 . 2]" 1
375 1 33 ASP H 1 44 PRO HG2 3.400 . 5.000 3.829 3.310 4.740 . 0 0 "[ . 1 . 2]" 1
376 1 32 TRP HB3 1 33 ASP H 3.150 . 4.500 3.857 3.756 3.981 . 0 0 "[ . 1 . 2]" 1
377 1 31 ALA MB 1 33 ASP H 3.750 . 5.700 2.660 2.427 2.867 . 0 0 "[ . 1 . 2]" 1
378 1 33 ASP H 1 33 ASP QB 2.650 . 3.500 2.411 2.102 2.787 . 0 0 "[ . 1 . 2]" 1
379 1 33 ASP H 1 33 ASP HA 2.650 . 3.500 2.886 2.842 2.921 . 0 0 "[ . 1 . 2]" 1
380 1 33 ASP HA 1 44 PRO HG2 3.150 . 4.500 2.835 2.168 3.501 . 0 0 "[ . 1 . 2]" 1
381 1 33 ASP HA 1 33 ASP QB 2.650 . 3.500 2.288 2.168 2.433 . 0 0 "[ . 1 . 2]" 1
382 1 33 ASP HA 1 44 PRO HD3 3.150 . 4.500 2.739 2.392 3.082 . 0 0 "[ . 1 . 2]" 1
383 1 34 SER HA 1 34 SER HB3 2.650 . 3.500 3.023 3.013 3.035 . 0 0 "[ . 1 . 2]" 1
384 1 34 SER HA 1 34 SER HB2 2.650 . 3.500 2.483 2.443 2.546 . 0 0 "[ . 1 . 2]" 1
385 1 30 GLN HE21 1 34 SER H 3.150 . 4.500 4.144 3.820 4.531 0.031 1 0 "[ . 1 . 2]" 1
386 1 34 SER H 1 34 SER HA 2.650 . 3.500 2.909 2.883 2.931 . 0 0 "[ . 1 . 2]" 1
387 1 34 SER H 1 34 SER HB2 2.650 . 3.500 2.823 2.521 3.037 . 0 0 "[ . 1 . 2]" 1
388 1 34 SER H 1 34 SER HG 3.150 . 4.500 4.451 4.273 4.534 0.034 1 0 "[ . 1 . 2]" 1
389 1 34 SER H 1 34 SER HB3 2.300 . 2.800 2.522 2.398 2.621 . 0 0 "[ . 1 . 2]" 1
390 1 34 SER H 1 40 HIS HE1 3.150 . 4.500 3.628 3.058 4.510 0.010 19 0 "[ . 1 . 2]" 1
391 1 33 ASP QB 1 34 SER H 3.150 . 4.500 3.441 2.905 3.983 . 0 0 "[ . 1 . 2]" 1
392 1 33 ASP HA 1 34 SER H 2.650 . 3.500 3.332 3.121 3.454 . 0 0 "[ . 1 . 2]" 1
393 1 30 GLN HG3 1 34 SER H 3.750 . 5.700 5.219 4.487 5.718 0.018 17 0 "[ . 1 . 2]" 1
394 1 30 GLN HG2 1 34 SER H 3.750 . 5.700 4.210 3.989 4.434 . 0 0 "[ . 1 . 2]" 1
395 1 31 ALA MB 1 34 SER H 3.750 . 5.700 2.825 2.549 3.200 . 0 0 "[ . 1 . 2]" 1
396 1 30 GLN HG3 1 34 SER HB3 3.750 . 5.700 3.322 2.876 4.403 . 0 0 "[ . 1 . 2]" 1
397 1 30 GLN HG2 1 34 SER HB3 3.750 . 5.700 3.130 2.643 4.071 . 0 0 "[ . 1 . 2]" 1
398 1 31 ALA MB 1 34 SER HB3 3.400 . 5.000 2.446 2.166 2.815 . 0 0 "[ . 1 . 2]" 1
399 1 34 SER H 1 35 GLN H 3.150 . 4.500 4.371 4.187 4.474 . 0 0 "[ . 1 . 2]" 1
400 1 34 SER HB2 1 35 GLN H 3.150 . 4.500 4.228 3.938 4.435 . 0 0 "[ . 1 . 2]" 1
401 1 34 SER HA 1 35 GLN H 2.300 . 2.800 2.173 2.060 2.325 . 0 0 "[ . 1 . 2]" 1
402 1 34 SER HG 1 35 GLN H 3.150 . 4.500 3.897 3.000 4.448 . 0 0 "[ . 1 . 2]" 1
403 1 34 SER HB3 1 35 GLN H 3.150 . 4.500 4.103 3.804 4.298 . 0 0 "[ . 1 . 2]" 1
404 1 35 GLN H 1 35 GLN QG 3.150 . 4.500 3.194 2.472 4.076 . 0 0 "[ . 1 . 2]" 1
405 1 35 GLN H 1 36 SER QB 3.400 . 5.000 4.123 3.775 4.487 . 0 0 "[ . 1 . 2]" 1
406 1 35 GLN H 1 35 GLN HB3 2.900 . 4.000 3.212 2.293 3.754 . 0 0 "[ . 1 . 2]" 1
407 1 35 GLN H 1 36 SER H 2.300 . 2.800 2.513 2.165 2.727 . 0 0 "[ . 1 . 2]" 1
408 1 35 GLN H 1 35 GLN HA 2.650 . 3.500 2.926 2.909 2.949 . 0 0 "[ . 1 . 2]" 1
409 1 35 GLN H 1 35 GLN HB2 2.650 . 3.500 2.597 2.484 2.726 . 0 0 "[ . 1 . 2]" 1
410 1 35 GLN HA 1 35 GLN HB2 2.650 . 3.500 2.816 2.330 3.037 . 0 0 "[ . 1 . 2]" 1
411 1 35 GLN HA 1 35 GLN QG 3.150 . 4.500 2.802 2.327 3.067 . 0 0 "[ . 1 . 2]" 1
412 1 35 GLN HA 1 35 GLN HB3 2.650 . 3.500 2.690 2.430 3.059 . 0 0 "[ . 1 . 2]" 1
413 1 35 GLN HB3 1 35 GLN QG 2.650 . 3.500 2.290 2.156 2.393 . 0 0 "[ . 1 . 2]" 1
414 1 35 GLN HE21 1 40 HIS H 3.150 . 4.500 3.539 2.043 4.544 0.044 1 0 "[ . 1 . 2]" 1
415 1 35 GLN HB3 1 35 GLN HE21 3.750 . 5.700 3.938 1.855 4.497 . 0 0 "[ . 1 . 2]" 1
416 1 35 GLN HE21 1 43 ILE MD 3.150 . 4.500 3.528 2.496 4.537 0.037 20 0 "[ . 1 . 2]" 1
417 1 35 GLN HB2 1 35 GLN HE21 3.750 . 5.700 3.806 1.835 4.563 . 0 0 "[ . 1 . 2]" 1
418 1 35 GLN HE21 1 35 GLN QG 2.650 . 3.500 2.269 2.122 2.916 . 0 0 "[ . 1 . 2]" 1
419 1 35 GLN HB2 1 35 GLN HE22 3.750 . 5.700 4.598 3.468 5.327 . 0 0 "[ . 1 . 2]" 1
420 1 35 GLN HB2 1 35 GLN QG 2.650 . 3.500 2.266 2.155 2.430 . 0 0 "[ . 1 . 2]" 1
421 1 34 SER HG 1 36 SER H 2.650 . 3.500 2.785 2.379 3.469 . 0 0 "[ . 1 . 2]" 1
422 1 36 SER H 1 38 HIS H 3.150 . 4.500 4.562 4.512 4.613 0.113 16 0 "[ . 1 . 2]" 1
423 1 36 SER H 1 36 SER HA 2.650 . 3.500 2.895 2.855 2.919 . 0 0 "[ . 1 . 2]" 1
424 1 36 SER H 1 36 SER HG 3.750 . 5.700 3.373 2.119 4.852 . 0 0 "[ . 1 . 2]" 1
425 1 30 GLN HE22 1 36 SER H 3.150 . 4.500 3.586 3.298 3.945 . 0 0 "[ . 1 . 2]" 1
426 1 34 SER HB3 1 36 SER H 3.150 . 4.500 3.410 3.173 3.746 . 0 0 "[ . 1 . 2]" 1
427 1 35 GLN HB2 1 36 SER H 3.150 . 4.500 4.099 3.780 4.501 0.001 6 0 "[ . 1 . 2]" 1
428 1 36 SER H 1 36 SER QB 2.900 . 4.000 2.717 2.411 3.163 . 0 0 "[ . 1 . 2]" 1
429 1 36 SER HA 1 36 SER QB 2.300 . 2.800 2.318 2.178 2.402 . 0 0 "[ . 1 . 2]" 1
430 1 36 SER HA 1 37 PRO HA 2.650 . 3.500 2.152 1.909 2.461 . 0 0 "[ . 1 . 2]" 1
431 1 37 PRO HA 1 37 PRO HB3 2.650 . 3.500 2.342 2.315 2.369 . 0 0 "[ . 1 . 2]" 1
432 1 37 PRO HA 1 37 PRO HD2 3.150 . 4.500 4.130 4.104 4.173 . 0 0 "[ . 1 . 2]" 1
433 1 37 PRO HB3 1 37 PRO HD2 3.150 . 4.500 3.749 3.709 3.790 . 0 0 "[ . 1 . 2]" 1
434 1 30 GLN HG2 1 37 PRO HD2 3.750 . 5.700 4.158 3.806 4.854 . 0 0 "[ . 1 . 2]" 1
435 1 37 PRO HB3 1 38 HIS H 3.150 . 4.500 4.073 4.011 4.123 . 0 0 "[ . 1 . 2]" 1
436 1 36 SER HA 1 38 HIS H 2.650 . 3.500 3.395 3.097 3.540 0.040 8 0 "[ . 1 . 2]" 1
437 1 37 PRO HG3 1 38 HIS H 2.650 . 3.500 3.657 3.623 3.705 0.205 17 0 "[ . 1 . 2]" 1
438 1 37 PRO HD2 1 38 HIS H 3.150 . 4.500 2.721 2.491 2.920 . 0 0 "[ . 1 . 2]" 1
439 1 37 PRO HG2 1 38 HIS H 3.150 . 4.500 2.055 1.979 2.188 . 0 0 "[ . 1 . 2]" 1
440 1 37 PRO HA 1 38 HIS H 2.650 . 3.500 3.466 3.277 3.520 0.020 4 0 "[ . 1 . 2]" 1
441 1 30 GLN HE21 1 38 HIS H 2.900 . 4.000 3.786 3.000 4.028 0.028 13 0 "[ . 1 . 2]" 1
442 1 30 GLN HE22 1 38 HIS H 2.650 . 3.500 2.602 2.145 3.244 . 0 0 "[ . 1 . 2]" 1
443 1 38 HIS H 1 38 HIS HB3 2.650 . 3.500 3.550 2.358 3.638 0.138 8 0 "[ . 1 . 2]" 1
444 1 38 HIS H 1 38 HIS HA 2.650 . 3.500 2.889 2.852 2.948 . 0 0 "[ . 1 . 2]" 1
445 1 38 HIS H 1 38 HIS HB2 2.650 . 3.500 2.429 2.349 2.743 . 0 0 "[ . 1 . 2]" 1
446 1 38 HIS HA 1 38 HIS HB2 2.650 . 3.500 2.966 2.431 3.007 . 0 0 "[ . 1 . 2]" 1
447 1 38 HIS HA 1 38 HIS HB3 2.650 . 3.500 2.514 2.407 3.011 . 0 0 "[ . 1 . 2]" 1
448 1 37 PRO HA 1 38 HIS HA 3.400 . 5.000 4.644 4.556 4.716 . 0 0 "[ . 1 . 2]" 1
449 1 39 ALA H 1 39 ALA MB 2.650 . 3.500 2.223 2.135 2.289 . 0 0 "[ . 1 . 2]" 1
450 1 39 ALA H 1 40 HIS H 3.150 . 4.500 4.503 4.300 4.558 0.058 7 0 "[ . 1 . 2]" 1
451 1 38 HIS HA 1 39 ALA H 2.300 . 2.800 2.092 1.967 2.384 . 0 0 "[ . 1 . 2]" 1
452 1 39 ALA H 1 39 ALA HA 2.650 . 3.500 2.857 2.774 2.906 . 0 0 "[ . 1 . 2]" 1
453 1 38 HIS HB2 1 39 ALA H 3.150 . 4.500 4.234 3.999 4.380 . 0 0 "[ . 1 . 2]" 1
454 1 38 HIS HD2 1 39 ALA H 3.750 . 5.700 4.213 3.165 5.806 0.106 4 0 "[ . 1 . 2]" 1
455 1 38 HIS HB3 1 39 ALA H 3.150 . 4.500 3.326 2.918 4.119 . 0 0 "[ . 1 . 2]" 1
456 1 39 ALA H 1 76 ARG HE 3.750 . 5.700 5.220 3.781 5.761 0.061 17 0 "[ . 1 . 2]" 1
457 1 35 GLN HE22 1 40 HIS H 2.650 . 3.500 3.058 1.787 3.603 0.103 12 0 "[ . 1 . 2]" 1
458 1 40 HIS H 1 40 HIS HB3 2.650 . 3.500 3.383 3.145 3.525 0.025 7 0 "[ . 1 . 2]" 1
459 1 40 HIS H 1 42 TYR H 3.750 . 5.700 4.629 4.412 4.788 . 0 0 "[ . 1 . 2]" 1
460 1 40 HIS H 1 43 ILE MD 3.750 . 5.700 4.880 3.932 5.753 0.053 5 0 "[ . 1 . 2]" 1
461 1 35 GLN HB2 1 40 HIS H 3.400 . 5.000 4.923 4.127 5.137 0.137 9 0 "[ . 1 . 2]" 1
462 1 40 HIS H 1 41 GLY H 3.150 . 4.500 4.325 4.030 4.470 . 0 0 "[ . 1 . 2]" 1
463 1 39 ALA MB 1 40 HIS H 3.150 . 4.500 2.972 2.557 3.267 . 0 0 "[ . 1 . 2]" 1
464 1 40 HIS H 1 40 HIS HD2 3.400 . 5.000 4.294 2.350 5.155 0.155 15 0 "[ . 1 . 2]" 1
465 1 40 HIS H 1 40 HIS HE1 3.750 . 5.700 5.093 4.238 5.798 0.098 19 0 "[ . 1 . 2]" 1
466 1 39 ALA HA 1 40 HIS H 2.300 . 2.800 2.200 2.090 2.335 . 0 0 "[ . 1 . 2]" 1
467 1 40 HIS H 1 41 GLY HA2 3.750 . 5.700 4.517 4.207 4.819 . 0 0 "[ . 1 . 2]" 1
468 1 40 HIS H 1 40 HIS HB2 3.150 . 4.500 3.982 3.842 4.121 . 0 0 "[ . 1 . 2]" 1
469 1 40 HIS H 1 40 HIS HA 2.650 . 3.500 2.877 2.767 2.950 . 0 0 "[ . 1 . 2]" 1
470 1 40 HIS HA 1 40 HIS HB3 2.650 . 3.500 2.474 2.391 2.567 . 0 0 "[ . 1 . 2]" 1
471 1 40 HIS HA 1 40 HIS HB2 2.650 . 3.500 2.437 2.406 2.472 . 0 0 "[ . 1 . 2]" 1
472 1 41 GLY H 2 15 LEU MD1 3.750 . 5.700 3.378 2.550 3.898 . 0 0 "[ . 1 . 2]" 1
473 1 41 GLY H 2 15 LEU MD2 2.650 . 3.500 3.196 2.414 3.537 0.037 7 0 "[ . 1 . 2]" 1
474 1 41 GLY H 1 42 TYR H 2.650 . 3.500 2.826 2.429 3.274 . 0 0 "[ . 1 . 2]" 1
475 1 41 GLY H 2 15 LEU HB3 3.750 . 5.700 4.552 3.835 5.098 . 0 0 "[ . 1 . 2]" 1
476 1 41 GLY H 1 41 GLY HA2 2.300 . 2.800 2.877 2.862 2.888 0.088 5 0 "[ . 1 . 2]" 1
477 1 41 GLY H 1 42 TYR HB2 3.750 . 5.700 4.909 4.471 5.371 . 0 0 "[ . 1 . 2]" 1
478 1 40 HIS HB3 1 41 GLY H 3.150 . 4.500 3.945 3.603 4.323 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLY H 1 41 GLY HA3 2.300 . 2.800 2.354 2.303 2.409 . 0 0 "[ . 1 . 2]" 1
480 1 40 HIS HB2 1 41 GLY H 3.150 . 4.500 2.691 2.189 3.240 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLY H 1 69 PHE HZ 3.150 . 4.500 4.476 4.151 4.558 0.058 5 0 "[ . 1 . 2]" 1
482 1 41 GLY H 1 42 TYR QD 2.650 . 3.500 3.161 2.602 3.579 0.079 4 0 "[ . 1 . 2]" 1
483 1 41 GLY HA3 1 43 ILE MD 3.150 . 4.500 4.325 3.486 4.527 0.027 2 0 "[ . 1 . 2]" 1
484 1 41 GLY HA2 1 43 ILE MD 3.750 . 5.700 3.026 2.313 3.415 . 0 0 "[ . 1 . 2]" 1
485 1 42 TYR H 1 43 ILE HG13 3.750 . 5.700 4.970 3.624 5.784 0.084 18 0 "[ . 1 . 2]" 1
486 1 42 TYR H 2 15 LEU MD1 3.750 . 5.700 4.029 3.475 4.624 . 0 0 "[ . 1 . 2]" 1
487 1 42 TYR H 1 42 TYR HA 2.650 . 3.500 2.909 2.888 2.931 . 0 0 "[ . 1 . 2]" 1
488 1 40 HIS HB2 1 42 TYR H 3.150 . 4.500 2.888 2.347 3.420 . 0 0 "[ . 1 . 2]" 1
489 1 42 TYR H 1 42 TYR HB3 3.150 . 4.500 3.712 3.605 3.794 . 0 0 "[ . 1 . 2]" 1
490 1 41 GLY HA2 1 42 TYR H 3.150 . 4.500 3.026 2.716 3.268 . 0 0 "[ . 1 . 2]" 1
491 1 32 TRP HE3 1 42 TYR H 3.750 . 5.700 4.980 4.556 5.413 . 0 0 "[ . 1 . 2]" 1
492 1 40 HIS HD2 1 42 TYR H 2.650 . 3.500 2.140 1.771 3.376 0.029 17 0 "[ . 1 . 2]" 1
493 1 42 TYR H 1 43 ILE MD 3.750 . 5.700 3.945 3.050 5.011 . 0 0 "[ . 1 . 2]" 1
494 1 42 TYR H 1 42 TYR HB2 2.650 . 3.500 2.618 2.408 2.842 . 0 0 "[ . 1 . 2]" 1
495 1 40 HIS HB3 1 42 TYR H 3.150 . 4.500 4.282 3.930 4.620 0.120 18 0 "[ . 1 . 2]" 1
496 1 40 HIS HE1 1 42 TYR H 3.400 . 5.000 5.157 5.037 5.228 0.228 1 0 "[ . 1 . 2]" 1
497 1 42 TYR H 1 42 TYR QD 2.650 . 3.500 2.646 2.122 3.257 . 0 0 "[ . 1 . 2]" 1
498 1 42 TYR H 1 69 PHE HZ 3.750 . 5.700 4.766 4.353 5.470 . 0 0 "[ . 1 . 2]" 1
499 1 42 TYR HA 1 47 PHE QE 2.650 . 3.500 2.233 1.894 3.051 . 0 0 "[ . 1 . 2]" 1
500 1 42 TYR HA 1 42 TYR HB2 2.650 . 3.500 3.045 3.023 3.081 . 0 0 "[ . 1 . 2]" 1
501 1 32 TRP HE3 1 42 TYR HB3 3.150 . 4.500 3.053 2.396 3.697 . 0 0 "[ . 1 . 2]" 1
502 1 42 TYR HA 1 42 TYR HB3 2.650 . 3.500 2.487 2.420 2.573 . 0 0 "[ . 1 . 2]" 1
503 1 42 TYR HB2 1 42 TYR QD 2.650 . 3.500 2.550 2.387 2.695 . 0 0 "[ . 1 . 2]" 1
504 1 42 TYR HB2 1 69 PHE QE 3.150 . 4.500 2.758 2.192 3.573 . 0 0 "[ . 1 . 2]" 1
505 1 42 TYR QE 1 67 TRP HH2 3.150 . 4.500 3.004 1.943 3.486 . 0 0 "[ . 1 . 2]" 1
506 1 42 TYR QE 2 19 ARG HD2 3.150 . 4.500 4.331 3.765 4.577 0.077 9 0 "[ . 1 . 2]" 1
507 1 43 ILE H 1 43 ILE MD 3.150 . 4.500 3.102 1.919 3.735 . 0 0 "[ . 1 . 2]" 1
508 1 42 TYR HA 1 43 ILE H 2.650 . 3.500 2.171 1.963 2.329 . 0 0 "[ . 1 . 2]" 1
509 1 43 ILE H 1 46 LYS H 3.750 . 5.700 4.609 4.307 4.970 . 0 0 "[ . 1 . 2]" 1
510 1 43 ILE H 1 47 PHE QE 2.650 . 3.500 3.024 2.224 3.505 0.005 19 0 "[ . 1 . 2]" 1
511 1 43 ILE H 1 43 ILE HA 2.650 . 3.500 2.885 2.858 2.936 . 0 0 "[ . 1 . 2]" 1
512 1 43 ILE H 1 46 LYS QE 3.750 . 5.700 4.540 3.248 5.604 . 0 0 "[ . 1 . 2]" 1
513 1 43 ILE H 1 44 PRO HA 3.750 . 5.700 5.381 5.230 5.571 . 0 0 "[ . 1 . 2]" 1
514 1 43 ILE H 1 43 ILE HB 2.300 . 2.800 2.575 2.481 2.677 . 0 0 "[ . 1 . 2]" 1
515 1 43 ILE H 1 43 ILE HG13 2.650 . 3.500 3.139 2.174 3.555 0.055 20 0 "[ . 1 . 2]" 1
516 1 43 ILE H 1 44 PRO HD3 3.750 . 5.700 4.501 4.432 4.648 . 0 0 "[ . 1 . 2]" 1
517 1 41 GLY HA3 1 43 ILE H 3.150 . 4.500 4.558 4.517 4.613 0.113 17 0 "[ . 1 . 2]" 1
518 1 41 GLY HA2 1 43 ILE H 3.150 . 4.500 3.992 3.922 4.119 . 0 0 "[ . 1 . 2]" 1
519 1 42 TYR H 1 43 ILE H 2.650 . 3.500 3.537 3.498 3.569 0.069 12 0 "[ . 1 . 2]" 1
520 1 42 TYR HB3 1 43 ILE H 3.150 . 4.500 4.059 3.811 4.192 . 0 0 "[ . 1 . 2]" 1
521 1 43 ILE H 2 15 LEU MD1 3.750 . 5.700 4.541 4.140 5.285 . 0 0 "[ . 1 . 2]" 1
522 1 43 ILE HB 1 43 ILE MD 3.150 . 4.500 2.883 2.362 3.273 . 0 0 "[ . 1 . 2]" 1
523 1 43 ILE HB 1 46 LYS HB2 3.150 . 4.500 4.347 2.102 4.533 0.033 11 0 "[ . 1 . 2]" 1
524 1 43 ILE HB 1 43 ILE HG13 2.650 . 3.500 2.543 2.432 3.024 . 0 0 "[ . 1 . 2]" 1
525 1 43 ILE HG13 1 43 ILE MG 3.150 . 4.500 2.661 2.358 3.214 . 0 0 "[ . 1 . 2]" 1
526 1 43 ILE HG13 1 46 LYS QD 3.150 . 4.500 3.588 2.753 4.551 0.051 3 0 "[ . 1 . 2]" 1
527 1 43 ILE HA 1 43 ILE MD 3.750 . 5.700 2.855 2.186 3.913 . 0 0 "[ . 1 . 2]" 1
528 1 43 ILE MG 1 44 PRO HD3 3.150 . 4.500 3.213 3.045 3.347 . 0 0 "[ . 1 . 2]" 1
529 1 43 ILE HA 1 43 ILE MG 3.150 . 4.500 2.381 2.318 2.557 . 0 0 "[ . 1 . 2]" 1
530 1 43 ILE MD 1 43 ILE MG 3.150 . 4.500 2.197 1.952 3.238 . 0 0 "[ . 1 . 2]" 1
531 1 44 PRO HA 1 44 PRO HB3 2.650 . 3.500 2.271 2.240 2.299 . 0 0 "[ . 1 . 2]" 1
532 1 44 PRO HA 1 44 PRO HD3 3.150 . 4.500 3.783 3.684 3.880 . 0 0 "[ . 1 . 2]" 1
533 1 44 PRO HA 1 52 LEU HB2 3.150 . 4.500 2.986 1.941 3.839 . 0 0 "[ . 1 . 2]" 1
534 1 44 PRO HB3 1 44 PRO HG2 2.300 . 2.800 2.674 2.634 2.767 . 0 0 "[ . 1 . 2]" 1
535 1 44 PRO HB2 1 45 SER H 3.150 . 4.500 3.208 2.802 3.593 . 0 0 "[ . 1 . 2]" 1
536 1 45 SER H 1 46 LYS HB3 3.150 . 4.500 4.543 4.230 4.596 0.096 12 0 "[ . 1 . 2]" 1
537 1 44 PRO HA 1 45 SER H 2.650 . 3.500 3.434 3.302 3.513 0.013 10 0 "[ . 1 . 2]" 1
538 1 45 SER H 1 45 SER HA 2.650 . 3.500 2.850 2.812 2.877 . 0 0 "[ . 1 . 2]" 1
539 1 45 SER H 1 45 SER QB 2.300 . 2.800 2.507 2.368 2.712 . 0 0 "[ . 1 . 2]" 1
540 1 43 ILE MG 1 45 SER H 3.150 . 4.500 1.887 1.768 2.221 0.032 14 0 "[ . 1 . 2]" 1
541 1 45 SER H 1 45 SER HG 2.650 . 3.500 3.046 2.573 3.537 0.037 2 0 "[ . 1 . 2]" 1
542 1 45 SER H 1 46 LYS H 2.650 . 3.500 2.410 2.315 2.669 . 0 0 "[ . 1 . 2]" 1
543 1 44 PRO HD2 1 45 SER H 3.150 . 4.500 2.795 2.583 2.999 . 0 0 "[ . 1 . 2]" 1
544 1 45 SER H 1 47 PHE H 3.150 . 4.500 3.720 3.517 3.863 . 0 0 "[ . 1 . 2]" 1
545 1 43 ILE HB 1 45 SER H 3.150 . 4.500 3.613 3.211 4.221 . 0 0 "[ . 1 . 2]" 1
546 1 44 PRO HB3 1 45 SER H 3.150 . 4.500 4.314 4.070 4.454 . 0 0 "[ . 1 . 2]" 1
547 1 45 SER HA 1 45 SER QB 2.300 . 2.800 2.278 2.173 2.339 . 0 0 "[ . 1 . 2]" 1
548 1 46 LYS H 1 46 LYS HB2 2.650 . 3.500 3.523 2.097 3.628 0.128 9 0 "[ . 1 . 2]" 1
549 1 46 LYS H 1 47 PHE HA 3.750 . 5.700 4.863 4.774 5.015 . 0 0 "[ . 1 . 2]" 1
550 1 46 LYS H 1 47 PHE H 2.650 . 3.500 2.171 2.059 2.312 . 0 0 "[ . 1 . 2]" 1
551 1 46 LYS H 1 46 LYS HA 2.300 . 2.800 2.841 2.713 2.858 0.058 10 0 "[ . 1 . 2]" 1
552 1 46 LYS H 1 46 LYS HB3 2.300 . 2.800 2.528 1.842 2.715 . 0 0 "[ . 1 . 2]" 1
553 1 46 LYS H 1 46 LYS HG3 2.650 . 3.500 3.253 2.491 3.726 0.226 16 0 "[ . 1 . 2]" 1
554 1 46 LYS H 1 46 LYS HG2 2.650 . 3.500 2.306 2.032 3.754 0.254 16 0 "[ . 1 . 2]" 1
555 1 46 LYS HA 1 46 LYS QD 3.750 . 5.700 4.366 2.234 4.579 . 0 0 "[ . 1 . 2]" 1
556 1 46 LYS HA 1 46 LYS HB3 2.650 . 3.500 2.458 2.399 2.968 . 0 0 "[ . 1 . 2]" 1
557 1 46 LYS HB3 1 46 LYS HG2 2.650 . 3.500 2.385 2.136 2.471 . 0 0 "[ . 1 . 2]" 1
558 1 46 LYS HB3 1 46 LYS QD 3.150 . 4.500 2.646 2.373 3.457 . 0 0 "[ . 1 . 2]" 1
559 1 46 LYS HB3 1 47 PHE QD 3.750 . 5.700 5.244 3.188 5.396 . 0 0 "[ . 1 . 2]" 1
560 1 46 LYS QD 1 46 LYS HG2 2.650 . 3.500 2.228 2.178 2.431 . 0 0 "[ . 1 . 2]" 1
561 1 46 LYS HA 1 46 LYS HG3 3.150 . 4.500 3.692 2.933 3.794 . 0 0 "[ . 1 . 2]" 1
562 1 46 LYS QE 1 46 LYS HG2 2.650 . 3.500 3.132 2.408 3.506 0.006 10 0 "[ . 1 . 2]" 1
563 1 47 PHE H 1 48 PRO HD2 3.150 . 4.500 4.156 3.888 4.405 . 0 0 "[ . 1 . 2]" 1
564 1 46 LYS HB2 1 47 PHE H 3.150 . 4.500 4.173 3.889 4.359 . 0 0 "[ . 1 . 2]" 1
565 1 46 LYS HA 1 47 PHE H 2.650 . 3.500 3.428 3.319 3.509 0.009 9 0 "[ . 1 . 2]" 1
566 1 46 LYS HB3 1 47 PHE H 2.900 . 4.000 3.965 2.729 4.072 0.072 18 0 "[ . 1 . 2]" 1
567 1 46 LYS HG3 1 47 PHE H 3.400 . 5.000 3.075 2.645 3.915 . 0 0 "[ . 1 . 2]" 1
568 1 47 PHE H 1 48 PRO HA 3.150 . 4.500 4.466 4.322 4.547 0.047 19 0 "[ . 1 . 2]" 1
569 1 44 PRO HA 1 47 PHE H 3.150 . 4.500 3.305 3.046 3.616 . 0 0 "[ . 1 . 2]" 1
570 1 47 PHE H 1 48 PRO HD3 3.150 . 4.500 3.275 2.994 3.740 . 0 0 "[ . 1 . 2]" 1
571 1 47 PHE H 1 47 PHE HB3 3.150 . 4.500 3.851 3.805 3.879 . 0 0 "[ . 1 . 2]" 1
572 1 47 PHE H 1 47 PHE QD 3.150 . 4.500 3.420 3.062 3.579 . 0 0 "[ . 1 . 2]" 1
573 1 47 PHE H 1 47 PHE HA 2.650 . 3.500 2.943 2.928 2.960 . 0 0 "[ . 1 . 2]" 1
574 1 47 PHE H 1 47 PHE HB2 2.650 . 3.500 2.815 2.722 2.950 . 0 0 "[ . 1 . 2]" 1
575 1 47 PHE HA 1 48 PRO HD2 2.650 . 3.500 2.260 2.078 2.476 . 0 0 "[ . 1 . 2]" 1
576 1 47 PHE HA 1 48 PRO HD3 2.650 . 3.500 2.884 2.637 3.237 . 0 0 "[ . 1 . 2]" 1
577 1 47 PHE HA 1 47 PHE HB3 2.650 . 3.500 2.428 2.359 2.465 . 0 0 "[ . 1 . 2]" 1
578 1 47 PHE HA 1 48 PRO HG3 3.750 . 5.700 4.746 4.559 5.015 . 0 0 "[ . 1 . 2]" 1
579 1 47 PHE HA 1 47 PHE QD 2.650 . 3.500 2.580 2.378 3.029 . 0 0 "[ . 1 . 2]" 1
580 1 47 PHE HB3 1 47 PHE QD 2.650 . 3.500 2.614 2.526 2.694 . 0 0 "[ . 1 . 2]" 1
581 1 47 PHE HB2 1 47 PHE QD 2.650 . 3.500 2.279 2.246 2.317 . 0 0 "[ . 1 . 2]" 1
582 1 48 PRO HA 1 48 PRO HB3 2.650 . 3.500 2.329 2.296 2.356 . 0 0 "[ . 1 . 2]" 1
583 1 48 PRO HA 1 48 PRO HD3 3.150 . 4.500 3.686 3.558 3.734 . 0 0 "[ . 1 . 2]" 1
584 1 48 PRO HD3 1 48 PRO HG3 2.650 . 3.500 2.320 2.293 2.342 . 0 0 "[ . 1 . 2]" 1
585 1 48 PRO HD2 1 48 PRO HG3 2.650 . 3.500 2.683 2.648 2.730 . 0 0 "[ . 1 . 2]" 1
586 1 48 PRO HG2 1 49 ASN H 3.150 . 4.500 2.072 1.925 2.222 . 0 0 "[ . 1 . 2]" 1
587 1 49 ASN H 1 51 ASN H 3.750 . 5.700 4.214 4.017 4.467 . 0 0 "[ . 1 . 2]" 1
588 1 47 PHE HA 1 49 ASN H 3.150 . 4.500 3.571 3.054 4.071 . 0 0 "[ . 1 . 2]" 1
589 1 48 PRO HB3 1 49 ASN H 3.150 . 4.500 3.985 3.917 4.023 . 0 0 "[ . 1 . 2]" 1
590 1 48 PRO HD2 1 49 ASN H 3.150 . 4.500 2.414 2.231 2.720 . 0 0 "[ . 1 . 2]" 1
591 1 49 ASN H 1 49 ASN HB3 2.650 . 3.500 2.520 2.356 2.654 . 0 0 "[ . 1 . 2]" 1
592 1 48 PRO HG3 1 49 ASN H 2.650 . 3.500 3.598 3.545 3.665 0.165 11 0 "[ . 1 . 2]" 1
593 1 49 ASN H 1 49 ASN HB2 2.650 . 3.500 3.354 2.324 3.610 0.110 17 0 "[ . 1 . 2]" 1
594 1 49 ASN H 1 50 LYS H 2.650 . 3.500 2.762 2.623 2.888 . 0 0 "[ . 1 . 2]" 1
595 1 49 ASN H 1 49 ASN HD22 3.750 . 5.700 4.711 3.843 5.745 0.045 10 0 "[ . 1 . 2]" 1
596 1 48 PRO HD3 1 49 ASN H 3.150 . 4.500 3.624 3.454 3.853 . 0 0 "[ . 1 . 2]" 1
597 1 49 ASN H 1 49 ASN HA 2.650 . 3.500 2.804 2.768 2.848 . 0 0 "[ . 1 . 2]" 1
598 1 48 PRO HA 1 49 ASN H 2.650 . 3.500 3.451 3.351 3.563 0.063 17 0 "[ . 1 . 2]" 1
599 1 49 ASN H 1 50 LYS HG2 3.750 . 5.700 4.407 3.757 5.760 0.060 14 0 "[ . 1 . 2]" 1
600 1 49 ASN HA 1 49 ASN HB3 2.650 . 3.500 2.546 2.370 3.021 . 0 0 "[ . 1 . 2]" 1
601 1 49 ASN HA 1 49 ASN HB2 2.300 . 2.800 2.424 2.314 2.525 . 0 0 "[ . 1 . 2]" 1
602 1 49 ASN HD22 1 50 LYS QD 3.150 . 4.500 3.808 3.148 4.506 0.006 15 0 "[ . 1 . 2]" 1
603 1 49 ASN HD22 1 50 LYS HE3 3.150 . 4.500 3.385 2.540 4.571 0.071 3 0 "[ . 1 . 2]" 1
604 1 49 ASN HD21 1 50 LYS HE2 3.750 . 5.700 4.047 2.300 5.828 0.128 20 0 "[ . 1 . 2]" 1
605 1 49 ASN HD21 1 50 LYS HE3 3.150 . 4.500 3.982 2.521 4.566 0.066 16 0 "[ . 1 . 2]" 1
606 1 49 ASN HA 1 49 ASN HD22 3.750 . 5.700 5.157 3.852 5.384 . 0 0 "[ . 1 . 2]" 1
607 1 49 ASN HA 1 49 ASN HD21 3.750 . 5.700 4.330 2.668 4.570 . 0 0 "[ . 1 . 2]" 1
608 1 49 ASN HA 1 50 LYS H 2.650 . 3.500 3.438 3.260 3.541 0.041 10 0 "[ . 1 . 2]" 1
609 1 49 ASN HB3 1 50 LYS H 3.150 . 4.500 4.012 2.926 4.520 0.020 16 0 "[ . 1 . 2]" 1
610 1 47 PHE HB2 1 50 LYS H 3.150 . 4.500 4.492 4.083 4.547 0.047 15 0 "[ . 1 . 2]" 1
611 1 47 PHE HA 1 50 LYS H 3.750 . 5.700 4.346 4.070 4.711 . 0 0 "[ . 1 . 2]" 1
612 1 50 LYS H 1 50 LYS HG2 2.650 . 3.500 2.724 2.389 3.623 0.123 14 0 "[ . 1 . 2]" 1
613 1 50 LYS H 1 50 LYS HB3 2.650 . 3.500 3.579 3.415 3.616 0.116 10 0 "[ . 1 . 2]" 1
614 1 50 LYS H 1 50 LYS HB2 2.300 . 2.800 2.399 2.101 2.497 . 0 0 "[ . 1 . 2]" 1
615 1 50 LYS H 1 50 LYS HA 2.650 . 3.500 2.890 2.841 2.924 . 0 0 "[ . 1 . 2]" 1
616 1 50 LYS H 1 51 ASN H 2.650 . 3.500 2.398 2.145 2.581 . 0 0 "[ . 1 . 2]" 1
617 1 50 LYS H 1 50 LYS HG3 3.150 . 4.500 3.848 2.398 4.162 . 0 0 "[ . 1 . 2]" 1
618 1 50 LYS H 1 52 LEU H 3.150 . 4.500 3.888 3.271 4.412 . 0 0 "[ . 1 . 2]" 1
619 1 50 LYS HA 1 50 LYS HG2 3.150 . 4.500 3.105 2.230 3.624 . 0 0 "[ . 1 . 2]" 1
620 1 50 LYS HA 1 50 LYS HB3 2.300 . 2.800 2.461 2.385 2.612 . 0 0 "[ . 1 . 2]" 1
621 1 50 LYS HA 1 50 LYS HB2 2.650 . 3.500 3.004 2.965 3.023 . 0 0 "[ . 1 . 2]" 1
622 1 50 LYS HG2 1 60 PRO HB3 3.150 . 4.500 4.347 3.486 4.580 0.080 13 0 "[ . 1 . 2]" 1
623 1 47 PHE HB3 1 50 LYS HG2 3.150 . 4.500 3.228 2.476 4.044 . 0 0 "[ . 1 . 2]" 1
624 1 50 LYS QD 1 50 LYS HG2 2.300 . 2.800 2.348 2.157 2.450 . 0 0 "[ . 1 . 2]" 1
625 1 50 LYS HB2 1 50 LYS HG2 2.300 . 2.800 2.448 2.188 2.932 0.132 20 0 "[ . 1 . 2]" 1
626 1 50 LYS HA 1 50 LYS QD 3.150 . 4.500 2.247 1.947 3.912 . 0 0 "[ . 1 . 2]" 1
627 1 51 ASN H 1 51 ASN HA 2.300 . 2.800 2.254 2.217 2.293 . 0 0 "[ . 1 . 2]" 1
628 1 51 ASN H 1 52 LEU H 2.650 . 3.500 2.847 2.621 3.076 . 0 0 "[ . 1 . 2]" 1
629 1 50 LYS HB2 1 51 ASN H 3.150 . 4.500 3.652 3.364 3.876 . 0 0 "[ . 1 . 2]" 1
630 1 51 ASN H 1 51 ASN HB3 2.900 . 4.000 3.798 3.575 4.055 0.055 4 0 "[ . 1 . 2]" 1
631 1 51 ASN HA 1 51 ASN HB3 2.650 . 3.500 2.909 2.504 3.031 . 0 0 "[ . 1 . 2]" 1
632 1 51 ASN HA 1 51 ASN HB2 2.650 . 3.500 2.707 2.527 3.022 . 0 0 "[ . 1 . 2]" 1
633 1 17 ASP QB 1 51 ASN HD21 3.400 . 5.000 3.192 2.311 4.661 . 0 0 "[ . 1 . 2]" 1
634 1 51 ASN HB3 1 51 ASN HD21 2.650 . 3.500 2.309 2.097 3.483 . 0 0 "[ . 1 . 2]" 1
635 1 51 ASN HB2 1 51 ASN HD21 2.650 . 3.500 2.989 2.289 3.517 0.017 6 0 "[ . 1 . 2]" 1
636 1 51 ASN HA 1 51 ASN HD21 3.150 . 4.500 4.050 2.582 4.447 . 0 0 "[ . 1 . 2]" 1
637 1 51 ASN HD21 1 53 LYS QD 3.750 . 5.700 4.922 3.014 5.750 0.050 2 0 "[ . 1 . 2]" 1
638 1 51 ASN HD22 1 53 LYS QD 3.750 . 5.700 4.398 2.054 5.761 0.061 4 0 "[ . 1 . 2]" 1
639 1 51 ASN HD21 1 53 LYS HG2 3.750 . 5.700 4.761 2.460 5.799 0.099 1 0 "[ . 1 . 2]" 1
640 1 17 ASP QB 1 51 ASN HD22 3.400 . 5.000 3.478 2.116 5.028 0.028 19 0 "[ . 1 . 2]" 1
641 1 52 LEU H 1 52 LEU MD2 3.150 . 4.500 3.871 1.951 4.251 . 0 0 "[ . 1 . 2]" 1
642 1 52 LEU H 1 52 LEU MD1 3.750 . 5.700 3.263 2.222 3.924 . 0 0 "[ . 1 . 2]" 1
643 1 52 LEU H 1 53 LYS H 3.150 . 4.500 4.051 3.770 4.231 . 0 0 "[ . 1 . 2]" 1
644 1 44 PRO HB3 1 52 LEU H 3.750 . 5.700 4.108 3.570 4.545 . 0 0 "[ . 1 . 2]" 1
645 1 44 PRO HB2 1 52 LEU H 3.750 . 5.700 5.622 5.208 5.759 0.059 14 0 "[ . 1 . 2]" 1
646 1 52 LEU H 1 53 LYS QE 3.150 . 4.500 4.087 3.321 4.628 0.128 1 0 "[ . 1 . 2]" 1
647 1 52 LEU H 1 52 LEU HB3 2.650 . 3.500 3.049 2.507 3.586 0.086 3 0 "[ . 1 . 2]" 1
648 1 52 LEU H 1 52 LEU HG 3.150 . 4.500 4.299 3.881 4.509 0.009 5 0 "[ . 1 . 2]" 1
649 1 51 ASN HB3 1 52 LEU H 3.150 . 4.500 4.277 4.147 4.399 . 0 0 "[ . 1 . 2]" 1
650 1 52 LEU H 1 52 LEU HB2 2.300 . 2.800 2.280 2.230 2.440 . 0 0 "[ . 1 . 2]" 1
651 1 51 ASN HA 1 52 LEU H 2.300 . 2.800 2.645 2.389 2.878 0.078 14 0 "[ . 1 . 2]" 1
652 1 52 LEU H 1 52 LEU HA 2.650 . 3.500 2.854 2.826 2.872 . 0 0 "[ . 1 . 2]" 1
653 1 44 PRO HG3 1 52 LEU HB3 3.150 . 4.500 2.961 2.402 4.064 . 0 0 "[ . 1 . 2]" 1
654 1 42 TYR HA 1 52 LEU MD2 3.750 . 5.700 3.536 3.099 5.206 . 0 0 "[ . 1 . 2]" 1
655 1 42 TYR HB3 1 52 LEU MD2 3.750 . 5.700 2.142 1.833 3.987 . 0 0 "[ . 1 . 2]" 1
656 1 42 TYR HB2 1 52 LEU MD2 3.750 . 5.700 3.339 2.816 5.395 . 0 0 "[ . 1 . 2]" 1
657 1 42 TYR QD 1 52 LEU MD2 3.150 . 4.500 3.071 2.070 4.493 . 0 0 "[ . 1 . 2]" 1
658 1 52 LEU MD1 1 58 ARG HG2 3.150 . 4.500 4.009 3.225 4.569 0.069 7 0 "[ . 1 . 2]" 1
659 1 52 LEU HA 1 52 LEU MD1 3.150 . 4.500 2.209 2.000 2.709 . 0 0 "[ . 1 . 2]" 1
660 1 52 LEU MD1 1 58 ARG HB2 3.150 . 4.500 2.956 2.361 3.825 . 0 0 "[ . 1 . 2]" 1
661 1 52 LEU MD1 1 60 PRO HB2 3.150 . 4.500 3.194 2.507 3.890 . 0 0 "[ . 1 . 2]" 1
662 1 53 LYS H 1 53 LYS HG3 3.150 . 4.500 3.767 2.580 4.445 . 0 0 "[ . 1 . 2]" 1
663 1 53 LYS H 1 53 LYS HG2 3.150 . 4.500 3.223 2.642 4.503 0.003 9 0 "[ . 1 . 2]" 1
664 1 53 LYS H 1 53 LYS HB2 2.300 . 2.800 2.741 2.613 2.817 0.017 4 0 "[ . 1 . 2]" 1
665 1 53 LYS H 1 53 LYS HA 2.650 . 3.500 2.932 2.901 2.968 . 0 0 "[ . 1 . 2]" 1
666 1 32 TRP HE1 1 53 LYS H 3.750 . 5.700 3.972 3.471 4.431 . 0 0 "[ . 1 . 2]" 1
667 1 53 LYS H 1 58 ARG HD2 3.750 . 5.700 4.376 1.902 5.319 . 0 0 "[ . 1 . 2]" 1
668 1 53 LYS H 1 58 ARG HD3 3.750 . 5.700 4.603 2.971 5.313 . 0 0 "[ . 1 . 2]" 1
669 1 53 LYS H 1 56 TYR H 3.750 . 5.700 4.590 4.077 4.951 . 0 0 "[ . 1 . 2]" 1
670 1 52 LEU HA 1 53 LYS H 2.300 . 2.800 2.284 2.157 2.486 . 0 0 "[ . 1 . 2]" 1
671 1 53 LYS H 1 58 ARG HE 3.150 . 4.500 3.568 2.696 4.667 0.167 14 0 "[ . 1 . 2]" 1
672 1 52 LEU MD1 1 53 LYS H 3.750 . 5.700 4.041 3.600 4.548 . 0 0 "[ . 1 . 2]" 1
673 1 53 LYS HA 1 53 LYS HB2 2.650 . 3.500 2.989 2.970 3.022 . 0 0 "[ . 1 . 2]" 1
674 1 53 LYS HA 1 53 LYS HB3 2.650 . 3.500 2.397 2.330 2.556 . 0 0 "[ . 1 . 2]" 1
675 1 53 LYS HB2 1 53 LYS QE 2.900 . 4.000 3.715 1.953 4.030 0.030 13 0 "[ . 1 . 2]" 1
676 1 53 LYS HB2 1 56 TYR QD 2.650 . 3.500 3.090 2.045 3.602 0.102 11 0 "[ . 1 . 2]" 1
677 1 53 LYS QE 1 53 LYS HG2 2.650 . 3.500 2.468 2.324 3.230 . 0 0 "[ . 1 . 2]" 1
678 1 53 LYS QE 1 53 LYS HG3 2.650 . 3.500 3.118 2.261 3.511 0.011 19 0 "[ . 1 . 2]" 1
679 1 53 LYS HB3 1 53 LYS HG3 2.650 . 3.500 2.668 2.419 3.017 . 0 0 "[ . 1 . 2]" 1
680 1 53 LYS HA 1 53 LYS HG3 3.150 . 4.500 3.631 2.618 3.983 . 0 0 "[ . 1 . 2]" 1
681 1 53 LYS HB3 1 53 LYS QE 3.150 . 4.500 3.177 2.439 4.478 . 0 0 "[ . 1 . 2]" 1
682 1 53 LYS HA 1 54 LYS H 2.300 . 2.800 2.101 1.972 2.212 . 0 0 "[ . 1 . 2]" 1
683 1 54 LYS H 1 54 LYS HB2 3.150 . 4.500 3.431 3.211 3.549 . 0 0 "[ . 1 . 2]" 1
684 1 53 LYS HB3 1 54 LYS H 3.150 . 4.500 2.570 2.342 2.784 . 0 0 "[ . 1 . 2]" 1
685 1 53 LYS HB2 1 54 LYS H 2.650 . 3.500 3.604 3.554 3.677 0.177 13 0 "[ . 1 . 2]" 1
686 1 32 TRP HD1 1 54 LYS H 3.400 . 5.000 4.079 3.854 4.306 . 0 0 "[ . 1 . 2]" 1
687 1 54 LYS H 1 55 ASN H 3.400 . 5.000 4.507 4.297 4.653 . 0 0 "[ . 1 . 2]" 1
688 1 54 LYS H 1 54 LYS QE 3.150 . 4.500 4.062 2.545 4.617 0.117 18 0 "[ . 1 . 2]" 1
689 1 54 LYS H 1 54 LYS HA 2.300 . 2.800 2.266 2.211 2.330 . 0 0 "[ . 1 . 2]" 1
690 1 54 LYS H 1 54 LYS HG2 2.650 . 3.500 2.751 2.566 3.302 . 0 0 "[ . 1 . 2]" 1
691 1 54 LYS HB3 1 54 LYS QD 3.150 . 4.500 2.425 2.296 2.728 . 0 0 "[ . 1 . 2]" 1
692 1 54 LYS HB2 1 54 LYS QD 3.150 . 4.500 3.053 2.376 3.448 . 0 0 "[ . 1 . 2]" 1
693 1 54 LYS HB3 1 56 TYR QE 3.750 . 5.700 4.027 3.686 4.554 . 0 0 "[ . 1 . 2]" 1
694 1 54 LYS HA 1 54 LYS HB2 2.650 . 3.500 3.024 2.988 3.045 . 0 0 "[ . 1 . 2]" 1
695 1 54 LYS HB2 1 54 LYS HG2 2.650 . 3.500 2.666 2.427 3.010 . 0 0 "[ . 1 . 2]" 1
696 1 54 LYS HB2 1 56 TYR QE 3.750 . 5.700 3.398 2.516 3.756 . 0 0 "[ . 1 . 2]" 1
697 1 54 LYS HA 1 54 LYS HB3 2.650 . 3.500 2.480 2.405 2.551 . 0 0 "[ . 1 . 2]" 1
698 1 54 LYS HB3 1 54 LYS HG3 2.650 . 3.500 2.660 2.417 3.010 . 0 0 "[ . 1 . 2]" 1
699 1 54 LYS QD 1 56 TYR QE 3.400 . 5.000 3.906 2.112 5.006 0.006 6 0 "[ . 1 . 2]" 1
700 1 54 LYS QD 1 54 LYS HG2 2.300 . 2.800 2.360 2.310 2.445 . 0 0 "[ . 1 . 2]" 1
701 1 54 LYS HA 1 54 LYS HG3 3.150 . 4.500 3.590 3.015 3.883 . 0 0 "[ . 1 . 2]" 1
702 1 54 LYS QD 1 55 ASN H 3.150 . 4.500 3.884 3.649 4.034 . 0 0 "[ . 1 . 2]" 1
703 1 32 TRP HD1 1 55 ASN H 3.750 . 5.700 4.607 4.236 4.981 . 0 0 "[ . 1 . 2]" 1
704 1 54 LYS QE 1 55 ASN H 3.750 . 5.700 5.015 3.391 5.736 0.036 3 0 "[ . 1 . 2]" 1
705 1 32 TRP HE1 1 55 ASN H 3.750 . 5.700 5.365 4.938 5.690 . 0 0 "[ . 1 . 2]" 1
706 1 54 LYS HA 1 55 ASN H 2.650 . 3.500 3.166 2.860 3.400 . 0 0 "[ . 1 . 2]" 1
707 1 55 ASN H 1 55 ASN HA 2.650 . 3.500 2.920 2.894 2.944 . 0 0 "[ . 1 . 2]" 1
708 1 55 ASN H 1 55 ASN HB2 3.150 . 4.500 3.744 3.640 3.850 . 0 0 "[ . 1 . 2]" 1
709 1 31 ALA HA 1 55 ASN H 3.150 . 4.500 3.828 3.595 4.051 . 0 0 "[ . 1 . 2]" 1
710 1 31 ALA MB 1 55 ASN H 3.750 . 5.700 4.036 3.645 4.527 . 0 0 "[ . 1 . 2]" 1
711 1 55 ASN H 1 56 TYR HB3 3.750 . 5.700 5.354 5.052 5.705 0.005 11 0 "[ . 1 . 2]" 1
712 1 55 ASN H 1 55 ASN HB3 2.650 . 3.500 2.995 2.777 3.204 . 0 0 "[ . 1 . 2]" 1
713 1 55 ASN H 1 56 TYR QD 3.150 . 4.500 3.555 3.095 3.990 . 0 0 "[ . 1 . 2]" 1
714 1 55 ASN H 1 56 TYR H 2.650 . 3.500 2.474 2.123 2.746 . 0 0 "[ . 1 . 2]" 1
715 1 55 ASN H 1 56 TYR QE 3.750 . 5.700 4.228 3.708 4.716 . 0 0 "[ . 1 . 2]" 1
716 1 54 LYS HB2 1 55 ASN H 2.650 . 3.500 2.216 1.786 2.644 0.014 13 0 "[ . 1 . 2]" 1
717 1 54 LYS HB3 1 55 ASN H 2.300 . 2.800 1.903 1.740 2.473 0.060 19 0 "[ . 1 . 2]" 1
718 1 31 ALA MB 1 55 ASN HA 3.400 . 5.000 3.663 3.491 3.855 . 0 0 "[ . 1 . 2]" 1
719 1 55 ASN HA 1 55 ASN HB2 2.650 . 3.500 2.456 2.418 2.516 . 0 0 "[ . 1 . 2]" 1
720 1 55 ASN HA 1 55 ASN HB3 2.650 . 3.500 2.494 2.446 2.539 . 0 0 "[ . 1 . 2]" 1
721 1 21 SER HB3 1 55 ASN HD22 3.150 . 4.500 3.011 2.029 3.352 . 0 0 "[ . 1 . 2]" 1
722 1 29 CYS H 1 55 ASN HD22 3.750 . 5.700 4.037 3.656 4.531 . 0 0 "[ . 1 . 2]" 1
723 1 55 ASN HB3 1 55 ASN HD21 3.150 . 4.500 3.128 2.891 3.445 . 0 0 "[ . 1 . 2]" 1
724 1 55 ASN HD22 1 56 TYR QD 3.150 . 4.500 4.552 4.103 4.628 0.128 6 0 "[ . 1 . 2]" 1
725 1 29 CYS HB2 1 55 ASN HD22 3.750 . 5.700 5.694 5.421 5.758 0.058 10 0 "[ . 1 . 2]" 1
726 1 55 ASN HB2 1 55 ASN HD22 2.650 . 3.500 3.474 3.445 3.509 0.009 15 0 "[ . 1 . 2]" 1
727 1 21 SER HB2 1 55 ASN HD22 3.150 . 4.500 2.032 1.794 3.168 0.006 15 0 "[ . 1 . 2]" 1
728 1 29 CYS HB3 1 55 ASN HD22 3.750 . 5.700 4.038 3.757 4.134 . 0 0 "[ . 1 . 2]" 1
729 1 55 ASN HB2 1 55 ASN HD21 2.650 . 3.500 2.195 2.151 2.286 . 0 0 "[ . 1 . 2]" 1
730 1 21 SER HB2 1 55 ASN HD21 3.150 . 4.500 2.626 1.861 3.680 . 0 0 "[ . 1 . 2]" 1
731 1 29 CYS HB3 1 55 ASN HD21 3.750 . 5.700 2.825 2.050 3.264 . 0 0 "[ . 1 . 2]" 1
732 1 21 SER HB3 1 55 ASN HD21 3.400 . 5.000 3.819 1.982 4.475 . 0 0 "[ . 1 . 2]" 1
733 1 54 LYS HB2 1 56 TYR H 3.150 . 4.500 3.029 2.733 3.565 . 0 0 "[ . 1 . 2]" 1
734 1 56 TYR H 1 57 CYS HA 3.750 . 5.700 5.299 5.217 5.400 . 0 0 "[ . 1 . 2]" 1
735 1 55 ASN HB3 1 56 TYR H 3.150 . 4.500 4.494 4.429 4.520 0.020 1 0 "[ . 1 . 2]" 1
736 1 56 TYR H 1 58 ARG HG3 3.750 . 5.700 5.292 4.676 5.743 0.043 12 0 "[ . 1 . 2]" 1
737 1 56 TYR H 1 56 TYR QD 2.650 . 3.500 3.280 2.964 3.488 . 0 0 "[ . 1 . 2]" 1
738 1 55 ASN HB2 1 56 TYR H 3.150 . 4.500 4.507 4.486 4.522 0.022 18 0 "[ . 1 . 2]" 1
739 1 56 TYR H 1 56 TYR HA 2.650 . 3.500 2.886 2.865 2.906 . 0 0 "[ . 1 . 2]" 1
740 1 56 TYR H 1 56 TYR HB2 2.650 . 3.500 2.261 2.170 2.337 . 0 0 "[ . 1 . 2]" 1
741 1 21 SER HA 1 56 TYR H 3.750 . 5.700 4.904 4.660 5.284 . 0 0 "[ . 1 . 2]" 1
742 1 54 LYS H 1 56 TYR H 3.750 . 5.700 4.810 4.562 4.994 . 0 0 "[ . 1 . 2]" 1
743 1 54 LYS HG2 1 56 TYR H 3.750 . 5.700 5.417 4.972 5.758 0.058 14 0 "[ . 1 . 2]" 1
744 1 56 TYR H 1 57 CYS H 3.150 . 4.500 4.525 4.418 4.578 0.078 8 0 "[ . 1 . 2]" 1
745 1 54 LYS HA 1 56 TYR H 3.150 . 4.500 4.501 4.353 4.624 0.124 5 0 "[ . 1 . 2]" 1
746 1 32 TRP HD1 1 56 TYR H 2.650 . 3.500 3.245 3.053 3.369 . 0 0 "[ . 1 . 2]" 1
747 1 54 LYS HB3 1 56 TYR H 3.150 . 4.500 3.933 3.546 4.438 . 0 0 "[ . 1 . 2]" 1
748 1 56 TYR H 1 56 TYR HB3 2.650 . 3.500 3.548 3.514 3.587 0.087 18 0 "[ . 1 . 2]" 1
749 1 55 ASN HA 1 56 TYR H 2.650 . 3.500 2.786 2.616 2.921 . 0 0 "[ . 1 . 2]" 1
750 1 56 TYR HA 1 56 TYR QD 2.650 . 3.500 2.061 1.960 2.479 . 0 0 "[ . 1 . 2]" 1
751 1 56 TYR HA 1 56 TYR HB3 2.650 . 3.500 2.580 2.518 2.667 . 0 0 "[ . 1 . 2]" 1
752 1 56 TYR HB3 1 56 TYR QD 2.650 . 3.500 2.741 2.670 2.811 . 0 0 "[ . 1 . 2]" 1
753 1 56 TYR HB2 1 57 CYS H 3.150 . 4.500 4.054 3.956 4.219 . 0 0 "[ . 1 . 2]" 1
754 1 21 SER HA 1 57 CYS H 2.650 . 3.500 3.127 2.688 3.507 0.007 15 0 "[ . 1 . 2]" 1
755 1 22 LYS H 1 57 CYS H 3.400 . 5.000 4.873 4.606 5.021 0.021 8 0 "[ . 1 . 2]" 1
756 1 16 TYR QE 1 57 CYS H 2.650 . 3.500 3.562 3.470 3.634 0.134 3 0 "[ . 1 . 2]" 1
757 1 20 ILE HA 1 57 CYS H 3.750 . 5.700 5.004 4.879 5.221 . 0 0 "[ . 1 . 2]" 1
758 1 20 ILE HB 1 57 CYS H 3.400 . 5.000 4.893 4.268 5.124 0.124 2 0 "[ . 1 . 2]" 1
759 1 57 CYS H 1 57 CYS HA 2.650 . 3.500 2.830 2.779 2.875 . 0 0 "[ . 1 . 2]" 1
760 1 57 CYS H 1 82 ILE MD 3.750 . 5.700 4.473 4.219 5.164 . 0 0 "[ . 1 . 2]" 1
761 1 57 CYS H 1 57 CYS HB2 2.650 . 3.500 2.594 2.454 2.716 . 0 0 "[ . 1 . 2]" 1
762 1 56 TYR HB3 1 57 CYS H 2.650 . 3.500 3.054 2.858 3.292 . 0 0 "[ . 1 . 2]" 1
763 1 56 TYR HA 1 57 CYS H 2.300 . 2.800 2.196 2.035 2.292 . 0 0 "[ . 1 . 2]" 1
764 1 57 CYS H 1 58 ARG H 3.400 . 5.000 4.499 4.393 4.557 . 0 0 "[ . 1 . 2]" 1
765 1 57 CYS HB2 1 82 ILE MD 3.400 . 5.000 2.464 2.035 4.223 . 0 0 "[ . 1 . 2]" 1
766 1 57 CYS HB3 1 82 ILE MD 3.150 . 4.500 2.896 2.279 3.253 . 0 0 "[ . 1 . 2]" 1
767 1 57 CYS HB2 1 58 ARG H 3.150 . 4.500 4.111 3.969 4.273 . 0 0 "[ . 1 . 2]" 1
768 1 32 TRP HZ2 1 58 ARG H 2.650 . 3.500 2.053 1.792 2.261 0.008 5 0 "[ . 1 . 2]" 1
769 1 57 CYS HA 1 58 ARG H 2.650 . 3.500 2.113 2.075 2.180 . 0 0 "[ . 1 . 2]" 1
770 1 58 ARG H 1 67 TRP HA 3.400 . 5.000 4.952 4.674 5.061 0.061 1 0 "[ . 1 . 2]" 1
771 1 58 ARG H 1 58 ARG HA 2.650 . 3.500 2.925 2.890 2.955 . 0 0 "[ . 1 . 2]" 1
772 1 58 ARG H 1 58 ARG HD3 3.750 . 5.700 4.352 3.827 5.472 . 0 0 "[ . 1 . 2]" 1
773 1 58 ARG H 1 58 ARG HD2 3.750 . 5.700 4.835 3.516 5.218 . 0 0 "[ . 1 . 2]" 1
774 1 32 TRP HE1 1 58 ARG H 3.750 . 5.700 3.873 3.562 4.044 . 0 0 "[ . 1 . 2]" 1
775 1 58 ARG H 1 68 CYS HB2 3.150 . 4.500 4.084 3.787 4.464 . 0 0 "[ . 1 . 2]" 1
776 1 58 ARG H 1 58 ARG HB2 2.650 . 3.500 2.685 2.608 2.774 . 0 0 "[ . 1 . 2]" 1
777 1 58 ARG H 1 67 TRP H 2.650 . 3.500 3.059 2.901 3.168 . 0 0 "[ . 1 . 2]" 1
778 1 58 ARG H 1 58 ARG HG3 3.150 . 4.500 4.346 3.489 4.559 0.059 10 0 "[ . 1 . 2]" 1
779 1 57 CYS HB3 1 58 ARG H 3.150 . 4.500 3.318 3.055 4.224 . 0 0 "[ . 1 . 2]" 1
780 1 58 ARG HA 1 58 ARG HD3 3.150 . 4.500 2.617 1.994 4.103 . 0 0 "[ . 1 . 2]" 1
781 1 58 ARG HA 1 58 ARG HD2 3.150 . 4.500 2.869 2.012 4.580 0.080 11 0 "[ . 1 . 2]" 1
782 1 58 ARG HA 1 58 ARG HG3 3.150 . 4.500 3.749 3.034 3.969 . 0 0 "[ . 1 . 2]" 1
783 1 58 ARG HB3 1 58 ARG HG3 2.650 . 3.500 2.416 2.273 2.975 . 0 0 "[ . 1 . 2]" 1
784 1 58 ARG HD3 1 58 ARG HG2 2.650 . 3.500 2.457 2.281 2.994 . 0 0 "[ . 1 . 2]" 1
785 1 51 ASN HA 1 58 ARG HE 3.750 . 5.700 5.059 4.384 5.843 0.143 14 0 "[ . 1 . 2]" 1
786 1 17 ASP HA 1 58 ARG HE 3.150 . 4.500 3.292 2.081 4.524 0.024 14 0 "[ . 1 . 2]" 1
787 1 51 ASN HB3 1 58 ARG HE 3.150 . 4.500 2.967 2.547 3.264 . 0 0 "[ . 1 . 2]" 1
788 1 51 ASN HD22 1 58 ARG HE 3.750 . 5.700 4.534 2.667 5.767 0.067 1 0 "[ . 1 . 2]" 1
789 1 56 TYR HB3 1 58 ARG HE 3.150 . 4.500 4.594 4.530 4.676 0.176 10 0 "[ . 1 . 2]" 1
790 1 58 ARG HE 1 58 ARG HG3 3.150 . 4.500 2.985 2.539 3.785 . 0 0 "[ . 1 . 2]" 1
791 1 58 ARG HE 1 58 ARG HG2 3.150 . 4.500 3.394 2.718 3.829 . 0 0 "[ . 1 . 2]" 1
792 1 58 ARG HB2 1 58 ARG HE 3.400 . 5.000 4.837 3.993 5.193 0.193 12 0 "[ . 1 . 2]" 1
793 1 51 ASN HB2 1 58 ARG HE 3.150 . 4.500 4.365 3.202 4.627 0.127 8 0 "[ . 1 . 2]" 1
794 1 58 ARG HA 1 59 ASN H 2.650 . 3.500 2.438 2.355 2.538 . 0 0 "[ . 1 . 2]" 1
795 1 58 ARG HB2 1 59 ASN H 2.650 . 3.500 3.528 3.447 3.586 0.086 2 0 "[ . 1 . 2]" 1
796 1 59 ASN H 1 59 ASN HB3 2.650 . 3.500 2.844 2.730 3.006 . 0 0 "[ . 1 . 2]" 1
797 1 58 ARG HD3 1 59 ASN H 3.750 . 5.700 4.348 3.715 5.738 0.038 15 0 "[ . 1 . 2]" 1
798 1 59 ASN H 1 59 ASN HB2 2.650 . 3.500 3.220 3.123 3.370 . 0 0 "[ . 1 . 2]" 1
799 1 59 ASN H 1 59 ASN HA 2.650 . 3.500 2.913 2.892 2.934 . 0 0 "[ . 1 . 2]" 1
800 1 59 ASN H 1 60 PRO HA 3.750 . 5.700 4.316 4.116 4.563 . 0 0 "[ . 1 . 2]" 1
801 1 59 ASN H 1 66 PRO HA 3.150 . 4.500 4.253 3.990 4.492 . 0 0 "[ . 1 . 2]" 1
802 1 59 ASN H 1 60 PRO HD3 3.150 . 4.500 3.346 3.140 3.564 . 0 0 "[ . 1 . 2]" 1
803 1 59 ASN H 1 60 PRO HD2 3.150 . 4.500 4.415 4.211 4.522 0.022 14 0 "[ . 1 . 2]" 1
804 1 14 GLU QG 1 59 ASN HD21 3.750 . 5.700 4.310 2.821 5.724 0.024 12 0 "[ . 1 . 2]" 1
805 1 14 GLU HA 1 59 ASN HD21 3.150 . 4.500 4.502 4.281 4.606 0.106 10 0 "[ . 1 . 2]" 1
806 1 14 GLU QG 1 59 ASN HD22 3.750 . 5.700 4.500 3.276 5.759 0.059 12 0 "[ . 1 . 2]" 1
807 1 12 SER QB 1 59 ASN HD21 3.150 . 4.500 3.255 2.766 3.845 . 0 0 "[ . 1 . 2]" 1
808 1 59 ASN HD21 1 65 ARG HA 3.150 . 4.500 3.301 2.482 4.545 0.045 18 0 "[ . 1 . 2]" 1
809 1 59 ASN HD21 1 63 ASP H 3.750 . 5.700 4.218 3.877 4.715 . 0 0 "[ . 1 . 2]" 1
810 1 59 ASN HD22 1 63 ASP H 3.150 . 4.500 2.829 2.499 3.424 . 0 0 "[ . 1 . 2]" 1
811 1 12 SER QB 1 59 ASN HD22 3.150 . 4.500 3.256 2.332 4.564 0.064 11 0 "[ . 1 . 2]" 1
812 1 59 ASN HB3 1 59 ASN HD21 3.150 . 4.500 2.659 2.297 2.842 . 0 0 "[ . 1 . 2]" 1
813 1 59 ASN HB2 1 59 ASN HD21 3.150 . 4.500 2.439 2.256 2.846 . 0 0 "[ . 1 . 2]" 1
814 1 59 ASN HD21 1 64 LEU HA 3.750 . 5.700 5.464 4.778 5.846 0.146 10 0 "[ . 1 . 2]" 1
815 1 59 ASN HD22 1 64 LEU HA 3.150 . 4.500 4.427 3.902 4.586 0.086 19 0 "[ . 1 . 2]" 1
816 1 60 PRO HA 1 60 PRO HB3 2.650 . 3.500 2.306 2.282 2.334 . 0 0 "[ . 1 . 2]" 1
817 1 60 PRO HD3 1 60 PRO HG3 2.650 . 3.500 2.287 2.276 2.304 . 0 0 "[ . 1 . 2]" 1
818 1 60 PRO HD3 1 61 ASP H 2.650 . 3.500 3.479 3.379 3.539 0.039 14 0 "[ . 1 . 2]" 1
819 1 60 PRO HG3 1 61 ASP H 2.650 . 3.500 3.600 3.558 3.658 0.158 12 0 "[ . 1 . 2]" 1
820 1 61 ASP H 1 67 TRP HE1 3.150 . 4.500 3.271 3.070 3.536 . 0 0 "[ . 1 . 2]" 1
821 1 61 ASP H 1 63 ASP H 3.150 . 4.500 3.966 3.680 4.281 . 0 0 "[ . 1 . 2]" 1
822 1 61 ASP H 1 67 TRP HZ2 3.150 . 4.500 3.808 3.270 4.244 . 0 0 "[ . 1 . 2]" 1
823 1 61 ASP H 1 61 ASP HB2 2.650 . 3.500 3.330 2.400 3.576 0.076 9 0 "[ . 1 . 2]" 1
824 1 61 ASP H 1 61 ASP HA 2.650 . 3.500 2.847 2.703 2.896 . 0 0 "[ . 1 . 2]" 1
825 1 61 ASP H 1 61 ASP HB3 2.650 . 3.500 2.976 2.551 3.505 0.005 8 0 "[ . 1 . 2]" 1
826 1 42 TYR QE 1 61 ASP H 3.150 . 4.500 3.876 3.263 4.507 0.007 4 0 "[ . 1 . 2]" 1
827 1 60 PRO HG2 1 61 ASP H 3.150 . 4.500 2.165 2.093 2.257 . 0 0 "[ . 1 . 2]" 1
828 1 59 ASN HA 1 61 ASP H 3.150 . 4.500 3.644 3.450 3.825 . 0 0 "[ . 1 . 2]" 1
829 1 60 PRO HA 1 61 ASP H 2.650 . 3.500 3.470 3.411 3.515 0.015 1 0 "[ . 1 . 2]" 1
830 1 60 PRO HD2 1 61 ASP H 3.150 . 4.500 2.114 1.995 2.215 . 0 0 "[ . 1 . 2]" 1
831 1 61 ASP HA 1 61 ASP HB3 2.650 . 3.500 2.367 2.315 2.433 . 0 0 "[ . 1 . 2]" 1
832 1 61 ASP HA 1 61 ASP HB2 2.650 . 3.500 2.567 2.388 2.984 . 0 0 "[ . 1 . 2]" 1
833 1 61 ASP HA 2 12 LEU HB2 3.150 . 4.500 3.664 2.895 4.673 0.173 20 0 "[ . 1 . 2]" 1
834 1 61 ASP HB3 2 16 LYS HD2 3.150 . 4.500 4.279 2.729 4.697 0.197 20 0 "[ . 1 . 2]" 1
835 1 42 TYR QE 1 61 ASP HB2 3.150 . 4.500 4.236 3.579 4.608 0.108 9 0 "[ . 1 . 2]" 1
836 1 59 ASN HD21 1 62 ARG H 3.750 . 5.700 5.104 4.459 5.506 . 0 0 "[ . 1 . 2]" 1
837 1 62 ARG H 1 62 ARG QG 2.650 . 3.500 3.083 2.771 3.515 0.015 15 0 "[ . 1 . 2]" 1
838 1 14 GLU QG 1 62 ARG H 3.150 . 4.500 3.816 3.032 4.549 0.049 9 0 "[ . 1 . 2]" 1
839 1 59 ASN HD22 1 62 ARG H 3.750 . 5.700 4.165 3.512 4.589 . 0 0 "[ . 1 . 2]" 1
840 1 62 ARG H 1 63 ASP HB2 3.750 . 5.700 4.494 3.937 5.001 . 0 0 "[ . 1 . 2]" 1
841 1 62 ARG H 1 62 ARG HB2 3.150 . 4.500 3.640 3.452 3.780 . 0 0 "[ . 1 . 2]" 1
842 1 62 ARG H 1 62 ARG HB3 3.150 . 4.500 4.131 4.006 4.211 . 0 0 "[ . 1 . 2]" 1
843 1 62 ARG H 1 62 ARG HA 2.300 . 2.800 2.205 2.110 2.307 . 0 0 "[ . 1 . 2]" 1
844 1 62 ARG H 1 63 ASP H 2.650 . 3.500 2.566 2.164 2.791 . 0 0 "[ . 1 . 2]" 1
845 1 61 ASP H 1 62 ARG H 2.650 . 3.500 2.457 2.258 2.893 . 0 0 "[ . 1 . 2]" 1
846 1 61 ASP HB3 1 62 ARG H 3.150 . 4.500 4.232 3.751 4.476 . 0 0 "[ . 1 . 2]" 1
847 1 61 ASP HA 1 62 ARG H 2.650 . 3.500 3.303 3.137 3.493 . 0 0 "[ . 1 . 2]" 1
848 1 62 ARG HA 1 62 ARG HB2 2.650 . 3.500 3.024 2.972 3.061 . 0 0 "[ . 1 . 2]" 1
849 1 62 ARG HA 1 62 ARG QG 2.650 . 3.500 2.439 2.266 2.716 . 0 0 "[ . 1 . 2]" 1
850 1 62 ARG HB3 1 62 ARG QG 2.300 . 2.800 2.310 2.147 2.485 . 0 0 "[ . 1 . 2]" 1
851 1 62 ARG HB2 1 62 ARG QD 3.150 . 4.500 2.653 2.215 3.275 . 0 0 "[ . 1 . 2]" 1
852 1 62 ARG QD 1 62 ARG HE 2.650 . 3.500 2.353 2.187 2.478 . 0 0 "[ . 1 . 2]" 1
853 1 63 ASP H 1 63 ASP HA 2.650 . 3.500 2.885 2.799 2.939 . 0 0 "[ . 1 . 2]" 1
854 1 59 ASN HA 1 63 ASP H 3.750 . 5.700 4.319 3.878 4.960 . 0 0 "[ . 1 . 2]" 1
855 1 62 ARG HA 1 63 ASP H 2.650 . 3.500 2.509 2.286 3.113 . 0 0 "[ . 1 . 2]" 1
856 1 63 ASP H 2 16 LYS HE3 3.750 . 5.700 5.590 5.302 5.786 0.086 3 0 "[ . 1 . 2]" 1
857 1 63 ASP H 2 16 LYS HD2 2.650 . 3.500 3.371 3.190 3.555 0.055 5 0 "[ . 1 . 2]" 1
858 1 63 ASP H 1 67 TRP HE1 3.150 . 4.500 3.629 3.226 4.379 . 0 0 "[ . 1 . 2]" 1
859 1 63 ASP H 2 16 LYS HG2 3.750 . 5.700 5.738 5.533 5.805 0.105 7 0 "[ . 1 . 2]" 1
860 1 62 ARG HB3 1 63 ASP H 3.150 . 4.500 4.328 4.249 4.483 . 0 0 "[ . 1 . 2]" 1
861 1 63 ASP H 1 64 LEU H 3.150 . 4.500 4.402 4.296 4.528 0.028 5 0 "[ . 1 . 2]" 1
862 1 63 ASP H 2 16 LYS HD3 3.150 . 4.500 4.254 3.215 4.508 0.008 16 0 "[ . 1 . 2]" 1
863 1 63 ASP H 1 63 ASP HB3 2.650 . 3.500 2.682 2.518 2.787 . 0 0 "[ . 1 . 2]" 1
864 1 63 ASP H 1 63 ASP HB2 2.650 . 3.500 2.407 2.218 2.700 . 0 0 "[ . 1 . 2]" 1
865 1 63 ASP HA 1 63 ASP HB2 2.650 . 3.500 2.607 2.518 2.673 . 0 0 "[ . 1 . 2]" 1
866 1 63 ASP HA 1 63 ASP HB3 2.650 . 3.500 3.043 3.007 3.084 . 0 0 "[ . 1 . 2]" 1
867 1 63 ASP HA 2 16 LYS HD2 2.650 . 3.500 2.568 1.911 3.205 . 0 0 "[ . 1 . 2]" 1
868 1 63 ASP HA 2 20 HIS HD2 3.750 . 5.700 5.705 5.301 5.881 0.181 14 0 "[ . 1 . 2]" 1
869 1 63 ASP HB3 1 79 TYR QE 3.150 . 4.500 3.469 2.688 4.503 0.003 8 0 "[ . 1 . 2]" 1
870 1 63 ASP HB2 1 64 LEU H 3.150 . 4.500 3.677 3.553 3.812 . 0 0 "[ . 1 . 2]" 1
871 1 64 LEU H 1 64 LEU HG 3.150 . 4.500 3.215 2.183 4.494 . 0 0 "[ . 1 . 2]" 1
872 1 64 LEU H 1 64 LEU MD2 3.150 . 4.500 3.490 2.017 4.217 . 0 0 "[ . 1 . 2]" 1
873 1 64 LEU H 2 20 HIS HE1 3.750 . 5.700 5.113 4.119 5.768 0.068 4 0 "[ . 1 . 2]" 1
874 1 63 ASP HA 1 64 LEU H 3.150 . 4.500 2.769 2.439 2.958 . 0 0 "[ . 1 . 2]" 1
875 1 64 LEU H 1 64 LEU HB2 2.650 . 3.500 2.484 2.364 2.643 . 0 0 "[ . 1 . 2]" 1
876 1 64 LEU H 1 64 LEU HA 2.650 . 3.500 2.871 2.794 2.922 . 0 0 "[ . 1 . 2]" 1
877 1 64 LEU H 1 79 TYR QE 2.650 . 3.500 3.048 2.372 3.515 0.015 9 0 "[ . 1 . 2]" 1
878 1 64 LEU H 1 65 ARG H 2.650 . 3.500 2.465 2.207 2.798 . 0 0 "[ . 1 . 2]" 1
879 1 63 ASP HB3 1 64 LEU H 3.150 . 4.500 2.771 2.558 3.199 . 0 0 "[ . 1 . 2]" 1
880 1 64 LEU H 1 65 ARG HA 3.750 . 5.700 5.065 4.882 5.246 . 0 0 "[ . 1 . 2]" 1
881 1 64 LEU HA 1 64 LEU HG 3.150 . 4.500 3.017 2.512 3.769 . 0 0 "[ . 1 . 2]" 1
882 1 64 LEU HA 1 64 LEU HB3 2.650 . 3.500 2.522 2.433 3.001 . 0 0 "[ . 1 . 2]" 1
883 1 64 LEU HA 1 64 LEU MD2 3.150 . 4.500 2.972 2.076 3.882 . 0 0 "[ . 1 . 2]" 1
884 1 64 LEU HB3 1 64 LEU HG 2.650 . 3.500 2.718 2.327 3.021 . 0 0 "[ . 1 . 2]" 1
885 1 64 LEU HB3 1 64 LEU MD2 2.650 . 3.500 2.436 2.266 3.237 . 0 0 "[ . 1 . 2]" 1
886 1 64 LEU MD1 1 79 TYR QE 3.750 . 5.700 4.171 3.174 5.707 0.007 3 0 "[ . 1 . 2]" 1
887 1 64 LEU HB2 1 64 LEU MD1 2.650 . 3.500 2.458 2.311 3.222 . 0 0 "[ . 1 . 2]" 1
888 1 65 ARG H 1 66 PRO HA 3.750 . 5.700 4.832 4.635 5.066 . 0 0 "[ . 1 . 2]" 1
889 1 65 ARG H 1 65 ARG HB2 3.150 . 4.500 3.529 2.571 4.052 . 0 0 "[ . 1 . 2]" 1
890 1 65 ARG H 1 65 ARG HB3 2.650 . 3.500 3.202 2.737 3.606 0.106 3 0 "[ . 1 . 2]" 1
891 1 65 ARG H 1 65 ARG HA 2.650 . 3.500 2.857 2.800 2.929 . 0 0 "[ . 1 . 2]" 1
892 1 65 ARG H 1 79 TYR QE 2.650 . 3.500 2.546 2.053 3.508 0.008 8 0 "[ . 1 . 2]" 1
893 1 64 LEU HA 1 65 ARG H 2.650 . 3.500 3.453 3.329 3.504 0.004 7 0 "[ . 1 . 2]" 1
894 1 64 LEU MD1 1 65 ARG H 3.750 . 5.700 4.457 3.867 5.012 . 0 0 "[ . 1 . 2]" 1
895 1 63 ASP HA 1 65 ARG H 3.750 . 5.700 4.576 4.260 4.752 . 0 0 "[ . 1 . 2]" 1
896 1 63 ASP HB2 1 65 ARG H 3.150 . 4.500 4.454 4.115 4.579 0.079 3 0 "[ . 1 . 2]" 1
897 1 63 ASP HB3 1 65 ARG H 3.150 . 4.500 2.795 2.401 3.015 . 0 0 "[ . 1 . 2]" 1
898 1 64 LEU HB2 1 65 ARG H 2.650 . 3.500 2.982 2.657 3.592 0.092 8 0 "[ . 1 . 2]" 1
899 1 63 ASP H 1 65 ARG H 3.750 . 5.700 4.752 4.312 5.186 . 0 0 "[ . 1 . 2]" 1
900 1 65 ARG HA 1 66 PRO HD3 2.650 . 3.500 2.154 2.039 2.328 . 0 0 "[ . 1 . 2]" 1
901 1 65 ARG HA 1 65 ARG HB3 2.650 . 3.500 2.748 2.418 3.044 . 0 0 "[ . 1 . 2]" 1
902 1 65 ARG HA 1 65 ARG HB2 2.650 . 3.500 2.528 2.397 2.960 . 0 0 "[ . 1 . 2]" 1
903 1 65 ARG HA 1 65 ARG HG2 3.150 . 4.500 3.375 2.383 3.869 . 0 0 "[ . 1 . 2]" 1
904 1 65 ARG HA 1 66 PRO HD2 2.650 . 3.500 2.954 2.518 3.384 . 0 0 "[ . 1 . 2]" 1
905 1 65 ARG HB3 1 65 ARG HD2 3.150 . 4.500 3.124 2.391 3.753 . 0 0 "[ . 1 . 2]" 1
906 1 65 ARG HB3 1 65 ARG HE 3.150 . 4.500 3.309 2.012 4.504 0.004 11 0 "[ . 1 . 2]" 1
907 1 65 ARG HD3 1 65 ARG HE 2.650 . 3.500 2.791 2.225 2.933 . 0 0 "[ . 1 . 2]" 1
908 1 65 ARG HE 1 81 ASP HA 3.750 . 5.700 4.914 2.490 5.780 0.080 6 0 "[ . 1 . 2]" 1
909 1 66 PRO HB2 1 80 CYS HB2 3.150 . 4.500 3.437 2.193 4.263 . 0 0 "[ . 1 . 2]" 1
910 1 66 PRO HA 1 66 PRO HG2 3.150 . 4.500 3.831 3.791 3.878 . 0 0 "[ . 1 . 2]" 1
911 1 59 ASN HB3 1 66 PRO HG2 3.150 . 4.500 4.571 4.531 4.620 0.120 19 0 "[ . 1 . 2]" 1
912 1 59 ASN HB2 1 66 PRO HG2 3.150 . 4.500 3.760 3.621 4.094 . 0 0 "[ . 1 . 2]" 1
913 1 66 PRO HA 1 67 TRP H 2.300 . 2.800 2.216 2.126 2.384 . 0 0 "[ . 1 . 2]" 1
914 1 32 TRP HZ2 1 67 TRP H 3.150 . 4.500 4.401 4.168 4.545 0.045 12 0 "[ . 1 . 2]" 1
915 1 67 TRP H 1 79 TYR HA 3.400 . 5.000 4.828 4.641 5.036 0.036 1 0 "[ . 1 . 2]" 1
916 1 67 TRP H 1 80 CYS HB3 3.400 . 5.000 4.763 4.128 5.142 0.142 10 0 "[ . 1 . 2]" 1
917 1 66 PRO HD2 1 67 TRP H 3.750 . 5.700 5.345 5.193 5.477 . 0 0 "[ . 1 . 2]" 1
918 1 66 PRO HG3 1 67 TRP H 3.150 . 4.500 4.518 4.459 4.555 0.055 15 0 "[ . 1 . 2]" 1
919 1 67 TRP H 1 68 CYS H 3.150 . 4.500 4.246 4.182 4.348 . 0 0 "[ . 1 . 2]" 1
920 1 67 TRP H 1 67 TRP HD1 2.650 . 3.500 3.204 2.825 3.464 . 0 0 "[ . 1 . 2]" 1
921 1 66 PRO HB3 1 67 TRP H 2.650 . 3.500 2.881 2.771 2.974 . 0 0 "[ . 1 . 2]" 1
922 1 57 CYS HB2 1 67 TRP H 3.400 . 5.000 5.031 4.812 5.072 0.072 9 0 "[ . 1 . 2]" 1
923 1 67 TRP H 1 67 TRP HB3 2.900 . 4.000 3.408 3.292 3.494 . 0 0 "[ . 1 . 2]" 1
924 1 66 PRO HB2 1 67 TRP H 2.650 . 3.500 3.432 3.342 3.523 0.023 16 0 "[ . 1 . 2]" 1
925 1 67 TRP H 1 67 TRP HE1 3.750 . 5.700 4.702 4.414 4.929 . 0 0 "[ . 1 . 2]" 1
926 1 67 TRP H 1 67 TRP HA 2.300 . 2.800 2.836 2.807 2.866 0.066 5 0 "[ . 1 . 2]" 1
927 1 68 CYS H 1 78 GLU HB3 3.750 . 5.700 4.882 3.895 5.692 . 0 0 "[ . 1 . 2]" 1
928 1 67 TRP HA 1 67 TRP HB3 2.650 . 3.500 2.447 2.396 2.483 . 0 0 "[ . 1 . 2]" 1
929 1 67 TRP HA 1 79 TYR QD 3.150 . 4.500 4.093 3.700 4.492 . 0 0 "[ . 1 . 2]" 1
930 1 67 TRP HA 1 67 TRP HD1 3.750 . 5.700 4.393 4.319 4.463 . 0 0 "[ . 1 . 2]" 1
931 1 67 TRP HA 1 79 TYR HA 2.300 . 2.800 2.411 2.170 2.655 . 0 0 "[ . 1 . 2]" 1
932 1 59 ASN HA 1 67 TRP HE1 2.650 . 3.500 3.158 2.718 3.546 0.046 20 0 "[ . 1 . 2]" 1
933 1 60 PRO HD3 1 67 TRP HE1 3.150 . 4.500 3.852 3.455 4.273 . 0 0 "[ . 1 . 2]" 1
934 1 60 PRO HD2 1 67 TRP HE1 3.150 . 4.500 2.347 1.942 2.785 . 0 0 "[ . 1 . 2]" 1
935 1 60 PRO HG3 1 67 TRP HE1 3.750 . 5.700 4.756 4.190 5.233 . 0 0 "[ . 1 . 2]" 1
936 1 60 PRO HG2 1 67 TRP HE1 3.750 . 5.700 3.931 3.432 4.373 . 0 0 "[ . 1 . 2]" 1
937 1 32 TRP HH2 1 67 TRP HE1 3.750 . 5.700 4.876 4.438 5.294 . 0 0 "[ . 1 . 2]" 1
938 1 63 ASP HB3 1 67 TRP HE1 2.650 . 3.500 3.520 3.290 3.582 0.082 5 0 "[ . 1 . 2]" 1
939 1 63 ASP HB2 1 67 TRP HE1 3.150 . 4.500 2.919 2.468 3.568 . 0 0 "[ . 1 . 2]" 1
940 1 32 TRP HZ3 1 67 TRP HZ3 2.650 . 3.500 3.118 2.690 3.531 0.031 7 0 "[ . 1 . 2]" 1
941 1 67 TRP HZ3 1 69 PHE QE 3.750 . 5.700 3.098 2.504 3.518 . 0 0 "[ . 1 . 2]" 1
942 1 67 TRP HZ3 2 19 ARG HD3 3.150 . 4.500 3.542 2.954 4.491 . 0 0 "[ . 1 . 2]" 1
943 1 58 ARG H 1 68 CYS H 3.750 . 5.700 5.274 5.057 5.397 . 0 0 "[ . 1 . 2]" 1
944 1 67 TRP HA 1 68 CYS H 2.300 . 2.800 2.651 2.498 2.738 . 0 0 "[ . 1 . 2]" 1
945 1 67 TRP HZ3 1 68 CYS H 3.400 . 5.000 4.674 4.468 4.879 . 0 0 "[ . 1 . 2]" 1
946 1 68 CYS H 1 80 CYS H 3.750 . 5.700 4.541 4.233 4.860 . 0 0 "[ . 1 . 2]" 1
947 1 67 TRP HE3 1 68 CYS H 3.150 . 4.500 2.442 2.216 2.660 . 0 0 "[ . 1 . 2]" 1
948 1 68 CYS H 1 77 TRP HE3 3.150 . 4.500 3.722 3.359 4.098 . 0 0 "[ . 1 . 2]" 1
949 1 68 CYS H 1 78 GLU H 2.650 . 3.500 3.009 2.869 3.227 . 0 0 "[ . 1 . 2]" 1
950 1 68 CYS H 1 69 PHE H 3.150 . 4.500 4.256 4.101 4.301 . 0 0 "[ . 1 . 2]" 1
951 1 68 CYS H 1 78 GLU HA 3.750 . 5.700 4.988 4.891 5.191 . 0 0 "[ . 1 . 2]" 1
952 1 23 THR MG 1 68 CYS H 3.400 . 5.000 3.585 3.221 3.924 . 0 0 "[ . 1 . 2]" 1
953 1 68 CYS H 1 79 TYR HA 3.150 . 4.500 3.667 3.526 3.843 . 0 0 "[ . 1 . 2]" 1
954 1 68 CYS H 1 68 CYS HB2 2.650 . 3.500 3.050 2.883 3.780 0.280 7 0 "[ . 1 . 2]" 1
955 1 68 CYS H 1 77 TRP HB2 3.750 . 5.700 3.656 3.457 3.866 . 0 0 "[ . 1 . 2]" 1
956 1 68 CYS H 1 68 CYS HA 2.300 . 2.800 2.830 2.754 2.852 0.052 10 0 "[ . 1 . 2]" 1
957 1 68 CYS H 1 78 GLU HB2 3.750 . 5.700 4.849 4.212 5.706 0.006 7 0 "[ . 1 . 2]" 1
958 1 68 CYS H 1 68 CYS HB3 2.650 . 3.500 3.296 3.228 3.378 . 0 0 "[ . 1 . 2]" 1
959 1 68 CYS HA 1 68 CYS HB3 2.650 . 3.500 2.909 2.404 2.966 . 0 0 "[ . 1 . 2]" 1
960 1 68 CYS HA 1 68 CYS HB2 2.650 . 3.500 2.726 2.330 2.800 . 0 0 "[ . 1 . 2]" 1
961 1 32 TRP HZ2 1 68 CYS HA 3.150 . 4.500 2.874 2.674 3.109 . 0 0 "[ . 1 . 2]" 1
962 1 29 CYS HB3 1 68 CYS HB2 3.150 . 4.500 4.491 4.322 4.615 0.115 7 0 "[ . 1 . 2]" 1
963 1 69 PHE H 1 69 PHE HA 2.650 . 3.500 2.881 2.863 2.919 . 0 0 "[ . 1 . 2]" 1
964 1 32 TRP HH2 1 69 PHE H 3.150 . 4.500 4.033 3.713 4.472 . 0 0 "[ . 1 . 2]" 1
965 1 30 GLN HB3 1 69 PHE H 3.750 . 5.700 4.080 3.692 4.323 . 0 0 "[ . 1 . 2]" 1
966 1 30 GLN H 1 69 PHE H 3.150 . 4.500 3.626 3.357 3.817 . 0 0 "[ . 1 . 2]" 1
967 1 29 CYS HB2 1 69 PHE H 3.150 . 4.500 4.439 4.248 4.645 0.145 7 0 "[ . 1 . 2]" 1
968 1 69 PHE H 1 78 GLU H 3.750 . 5.700 5.076 4.830 5.318 . 0 0 "[ . 1 . 2]" 1
969 1 69 PHE H 1 69 PHE QD 3.150 . 4.500 2.890 2.649 3.018 . 0 0 "[ . 1 . 2]" 1
970 1 68 CYS HB2 1 69 PHE H 3.150 . 4.500 4.050 1.918 4.221 . 0 0 "[ . 1 . 2]" 1
971 1 69 PHE H 1 69 PHE HB2 2.650 . 3.500 2.303 2.280 2.333 . 0 0 "[ . 1 . 2]" 1
972 1 69 PHE H 1 69 PHE HB3 2.650 . 3.500 3.558 3.545 3.577 0.077 11 0 "[ . 1 . 2]" 1
973 1 68 CYS HB3 1 69 PHE H 2.650 . 3.500 3.214 2.987 3.517 0.017 7 0 "[ . 1 . 2]" 1
974 1 67 TRP HZ3 1 69 PHE H 3.400 . 5.000 3.793 3.502 4.398 . 0 0 "[ . 1 . 2]" 1
975 1 68 CYS HA 1 69 PHE H 2.650 . 3.500 2.420 2.336 2.732 . 0 0 "[ . 1 . 2]" 1
976 1 32 TRP HZ2 1 69 PHE H 3.150 . 4.500 4.459 4.308 4.576 0.076 7 0 "[ . 1 . 2]" 1
977 1 69 PHE HA 1 77 TRP HA 2.300 . 2.800 2.226 2.012 2.475 . 0 0 "[ . 1 . 2]" 1
978 1 69 PHE HA 1 69 PHE HB3 2.650 . 3.500 2.591 2.559 2.626 . 0 0 "[ . 1 . 2]" 1
979 1 69 PHE QE 2 19 ARG HG2 3.150 . 4.500 3.401 2.688 3.837 . 0 0 "[ . 1 . 2]" 1
980 1 40 HIS HB2 1 69 PHE QE 3.150 . 4.500 3.158 2.803 3.452 . 0 0 "[ . 1 . 2]" 1
981 1 69 PHE HZ 2 19 ARG HG3 3.150 . 4.500 4.165 3.457 4.523 0.023 2 0 "[ . 1 . 2]" 1
982 1 69 PHE HZ 2 19 ARG HD2 3.150 . 4.500 3.889 2.965 4.509 0.009 6 0 "[ . 1 . 2]" 1
983 1 70 THR H 1 77 TRP H 3.150 . 4.500 4.311 4.067 4.513 0.013 5 0 "[ . 1 . 2]" 1
984 1 70 THR H 1 76 ARG HA 3.150 . 4.500 4.255 3.833 4.568 0.068 16 0 "[ . 1 . 2]" 1
985 1 70 THR H 1 70 THR HG1 2.650 . 3.500 2.632 2.295 3.135 . 0 0 "[ . 1 . 2]" 1
986 1 30 GLN HB2 1 70 THR H 3.750 . 5.700 4.833 4.573 5.192 . 0 0 "[ . 1 . 2]" 1
987 1 70 THR H 1 78 GLU H 3.150 . 4.500 4.145 3.877 4.370 . 0 0 "[ . 1 . 2]" 1
988 1 69 PHE HB3 1 70 THR H 3.150 . 4.500 2.893 2.757 3.221 . 0 0 "[ . 1 . 2]" 1
989 1 69 PHE HA 1 70 THR H 2.300 . 2.800 2.277 2.215 2.338 . 0 0 "[ . 1 . 2]" 1
990 1 30 GLN HB3 1 70 THR H 3.400 . 5.000 4.336 4.116 4.688 . 0 0 "[ . 1 . 2]" 1
991 1 69 PHE HB2 1 70 THR H 3.150 . 4.500 4.091 3.989 4.288 . 0 0 "[ . 1 . 2]" 1
992 1 70 THR H 1 70 THR HB 2.650 . 3.500 3.125 2.738 3.468 . 0 0 "[ . 1 . 2]" 1
993 1 29 CYS HA 1 70 THR H 3.750 . 5.700 4.851 4.710 5.099 . 0 0 "[ . 1 . 2]" 1
994 1 30 GLN H 1 70 THR H 3.750 . 5.700 4.485 4.243 4.660 . 0 0 "[ . 1 . 2]" 1
995 1 69 PHE QD 1 70 THR H 3.150 . 4.500 3.402 3.237 3.677 . 0 0 "[ . 1 . 2]" 1
996 1 70 THR H 1 70 THR MG 2.650 . 3.500 3.292 2.681 3.620 0.120 1 0 "[ . 1 . 2]" 1
997 1 70 THR HA 1 70 THR HB 2.650 . 3.500 2.805 2.581 2.988 . 0 0 "[ . 1 . 2]" 1
998 1 70 THR HA 1 70 THR MG 3.150 . 4.500 2.156 2.091 2.247 . 0 0 "[ . 1 . 2]" 1
999 1 30 GLN HB3 1 70 THR HA 3.150 . 4.500 4.485 4.248 4.557 0.057 4 0 "[ . 1 . 2]" 1
1000 1 70 THR MG 1 75 LYS HG3 3.150 . 4.500 3.453 2.794 4.469 . 0 0 "[ . 1 . 2]" 1
1001 1 27 LEU HB3 1 70 THR MG 3.400 . 5.000 2.524 2.339 3.139 . 0 0 "[ . 1 . 2]" 1
1002 1 27 LEU HB2 1 70 THR MG 3.150 . 4.500 2.561 2.279 2.858 . 0 0 "[ . 1 . 2]" 1
1003 1 70 THR HB 1 71 THR H 3.150 . 4.500 3.295 2.773 3.710 . 0 0 "[ . 1 . 2]" 1
1004 1 27 LEU HB3 1 71 THR H 3.150 . 4.500 4.106 3.621 4.506 0.006 7 0 "[ . 1 . 2]" 1
1005 1 29 CYS HA 1 71 THR H 2.650 . 3.500 3.365 2.944 3.527 0.027 17 0 "[ . 1 . 2]" 1
1006 1 70 THR MG 1 71 THR H 3.150 . 4.500 2.886 2.309 3.620 . 0 0 "[ . 1 . 2]" 1
1007 1 70 THR HG1 1 71 THR H 3.750 . 5.700 4.946 4.488 5.298 . 0 0 "[ . 1 . 2]" 1
1008 1 70 THR HA 1 71 THR H 2.650 . 3.500 2.242 2.160 2.342 . 0 0 "[ . 1 . 2]" 1
1009 1 30 GLN H 1 71 THR H 3.150 . 4.500 3.892 3.527 4.183 . 0 0 "[ . 1 . 2]" 1
1010 1 71 THR H 1 72 ASP H 2.650 . 3.500 2.453 2.281 2.701 . 0 0 "[ . 1 . 2]" 1
1011 1 71 THR H 1 71 THR HB 2.650 . 3.500 2.932 2.371 3.534 0.034 6 0 "[ . 1 . 2]" 1
1012 1 71 THR H 1 71 THR HA 2.650 . 3.500 2.859 2.811 2.887 . 0 0 "[ . 1 . 2]" 1
1013 1 71 THR H 1 72 ASP HB2 3.750 . 5.700 4.531 4.245 4.794 . 0 0 "[ . 1 . 2]" 1
1014 1 71 THR H 1 71 THR MG 2.650 . 3.500 2.570 1.994 3.643 0.143 11 0 "[ . 1 . 2]" 1
1015 1 37 PRO HG3 1 71 THR HA 3.150 . 4.500 2.980 2.120 4.526 0.026 17 0 "[ . 1 . 2]" 1
1016 1 37 PRO HD2 1 71 THR HA 2.650 . 3.500 2.922 2.318 3.505 0.005 20 0 "[ . 1 . 2]" 1
1017 1 71 THR HA 1 71 THR MG 3.150 . 4.500 2.713 2.235 3.240 . 0 0 "[ . 1 . 2]" 1
1018 1 71 THR HA 1 71 THR HB 2.650 . 3.500 2.638 2.487 3.042 . 0 0 "[ . 1 . 2]" 1
1019 1 30 GLN HA 1 71 THR MG 3.150 . 4.500 3.585 2.192 4.550 0.050 14 0 "[ . 1 . 2]" 1
1020 1 28 GLU QG 1 71 THR MG 3.150 . 4.500 3.055 2.529 4.106 . 0 0 "[ . 1 . 2]" 1
1021 1 28 GLU HB2 1 71 THR MG 3.150 . 4.500 3.945 2.562 4.542 0.042 3 0 "[ . 1 . 2]" 1
1022 1 72 ASP H 1 75 LYS H 3.400 . 5.000 4.681 4.345 5.121 0.121 8 0 "[ . 1 . 2]" 1
1023 1 72 ASP H 1 72 ASP HB3 2.300 . 2.800 2.378 2.248 2.486 . 0 0 "[ . 1 . 2]" 1
1024 1 72 ASP H 1 72 ASP HA 2.650 . 3.500 2.851 2.811 2.897 . 0 0 "[ . 1 . 2]" 1
1025 1 71 THR HA 1 72 ASP H 2.650 . 3.500 3.337 3.060 3.479 . 0 0 "[ . 1 . 2]" 1
1026 1 72 ASP H 1 72 ASP HB2 2.300 . 2.800 2.631 2.463 2.779 . 0 0 "[ . 1 . 2]" 1
1027 1 70 THR HB 1 72 ASP H 2.650 . 3.500 2.185 1.850 2.570 . 0 0 "[ . 1 . 2]" 1
1028 1 72 ASP H 1 75 LYS HB3 3.750 . 5.700 4.332 3.534 5.595 . 0 0 "[ . 1 . 2]" 1
1029 1 71 THR HB 1 72 ASP H 3.150 . 4.500 4.070 3.221 4.533 0.033 4 0 "[ . 1 . 2]" 1
1030 1 27 LEU HB3 1 72 ASP H 3.750 . 5.700 4.334 3.838 5.166 . 0 0 "[ . 1 . 2]" 1
1031 1 38 HIS HE1 1 72 ASP H 3.750 . 5.700 4.045 3.501 5.791 0.091 4 0 "[ . 1 . 2]" 1
1032 1 70 THR HG1 1 72 ASP H 3.150 . 4.500 4.027 3.215 4.512 0.012 13 0 "[ . 1 . 2]" 1
1033 1 72 ASP H 1 75 LYS HB2 3.150 . 4.500 4.573 4.210 4.671 0.171 19 0 "[ . 1 . 2]" 1
1034 1 70 THR HA 1 72 ASP H 3.150 . 4.500 3.535 3.188 3.802 . 0 0 "[ . 1 . 2]" 1
1035 1 72 ASP HA 1 73 PRO HD2 2.650 . 3.500 2.466 2.061 2.944 . 0 0 "[ . 1 . 2]" 1
1036 1 72 ASP HA 1 73 PRO HD3 2.650 . 3.500 2.124 1.894 2.582 . 0 0 "[ . 1 . 2]" 1
1037 1 72 ASP HA 1 72 ASP HB2 2.650 . 3.500 2.458 2.396 2.513 . 0 0 "[ . 1 . 2]" 1
1038 1 72 ASP HA 1 72 ASP HB3 2.650 . 3.500 3.031 3.019 3.051 . 0 0 "[ . 1 . 2]" 1
1039 1 72 ASP HA 1 73 PRO HG3 3.150 . 4.500 4.248 3.994 4.501 0.001 19 0 "[ . 1 . 2]" 1
1040 1 73 PRO HA 1 73 PRO HB3 2.650 . 3.500 2.279 2.251 2.309 . 0 0 "[ . 1 . 2]" 1
1041 1 73 PRO HD2 1 73 PRO HG3 2.650 . 3.500 2.895 2.694 3.001 . 0 0 "[ . 1 . 2]" 1
1042 1 73 PRO HD3 1 73 PRO HG3 2.650 . 3.500 2.293 2.260 2.311 . 0 0 "[ . 1 . 2]" 1
1043 1 37 PRO HB3 1 73 PRO HG3 3.750 . 5.700 5.268 3.701 5.733 0.033 1 0 "[ . 1 . 2]" 1
1044 1 73 PRO HB2 1 73 PRO HG3 2.300 . 2.800 2.841 2.670 2.927 0.127 7 0 "[ . 1 . 2]" 1
1045 1 73 PRO HB3 1 73 PRO HG3 2.300 . 2.800 2.254 2.214 2.328 . 0 0 "[ . 1 . 2]" 1
1046 1 73 PRO HB3 1 74 ASN H 3.150 . 4.500 4.226 3.831 4.493 . 0 0 "[ . 1 . 2]" 1
1047 1 74 ASN H 1 74 ASN HD21 3.150 . 4.500 4.344 2.289 4.578 0.078 1 0 "[ . 1 . 2]" 1
1048 1 74 ASN H 1 75 LYS H 2.650 . 3.500 2.352 2.204 2.623 . 0 0 "[ . 1 . 2]" 1
1049 1 73 PRO HD3 1 74 ASN H 3.150 . 4.500 4.091 3.605 4.509 0.009 3 0 "[ . 1 . 2]" 1
1050 1 73 PRO HA 1 74 ASN H 2.650 . 3.500 3.492 3.411 3.582 0.082 7 0 "[ . 1 . 2]" 1
1051 1 73 PRO HB2 1 74 ASN H 2.650 . 3.500 3.122 2.483 3.565 0.065 8 0 "[ . 1 . 2]" 1
1052 1 74 ASN H 1 74 ASN HB2 2.650 . 3.500 2.797 2.501 3.628 0.128 7 0 "[ . 1 . 2]" 1
1053 1 74 ASN H 1 75 LYS HA 3.750 . 5.700 5.001 4.862 5.230 . 0 0 "[ . 1 . 2]" 1
1054 1 74 ASN H 1 75 LYS HB3 3.750 . 5.700 5.258 4.720 5.774 0.074 8 0 "[ . 1 . 2]" 1
1055 1 74 ASN H 1 74 ASN HA 2.650 . 3.500 2.881 2.826 2.914 . 0 0 "[ . 1 . 2]" 1
1056 1 74 ASN H 1 74 ASN HB3 2.300 . 2.800 2.485 2.283 2.828 0.028 7 0 "[ . 1 . 2]" 1
1057 1 74 ASN HA 1 74 ASN HB3 2.650 . 3.500 2.956 2.397 3.036 . 0 0 "[ . 1 . 2]" 1
1058 1 74 ASN HA 1 74 ASN HB2 2.650 . 3.500 2.443 2.367 2.547 . 0 0 "[ . 1 . 2]" 1
1059 1 74 ASN HB2 1 74 ASN HD21 2.650 . 3.500 2.800 2.149 3.458 . 0 0 "[ . 1 . 2]" 1
1060 1 74 ASN HB2 1 75 LYS H 2.900 . 4.000 3.943 3.648 4.055 0.055 18 0 "[ . 1 . 2]" 1
1061 1 75 LYS H 1 75 LYS HB2 2.650 . 3.500 2.345 2.169 2.486 . 0 0 "[ . 1 . 2]" 1
1062 1 73 PRO HA 1 75 LYS H 3.150 . 4.500 4.496 4.141 4.556 0.056 5 0 "[ . 1 . 2]" 1
1063 1 74 ASN HA 1 75 LYS H 2.650 . 3.500 3.496 3.406 3.522 0.022 1 0 "[ . 1 . 2]" 1
1064 1 75 LYS H 1 75 LYS HA 2.650 . 3.500 2.898 2.853 2.938 . 0 0 "[ . 1 . 2]" 1
1065 1 72 ASP HB3 1 75 LYS H 3.150 . 4.500 2.928 2.639 3.455 . 0 0 "[ . 1 . 2]" 1
1066 1 75 LYS H 1 75 LYS HB3 2.650 . 3.500 3.028 2.697 3.519 0.019 10 0 "[ . 1 . 2]" 1
1067 1 70 THR HG1 1 75 LYS H 3.150 . 4.500 4.184 3.487 4.582 0.082 1 0 "[ . 1 . 2]" 1
1068 1 70 THR MG 1 75 LYS H 3.150 . 4.500 4.428 4.063 4.593 0.093 20 0 "[ . 1 . 2]" 1
1069 1 38 HIS HE1 1 75 LYS H 3.750 . 5.700 4.160 3.419 5.729 0.029 17 0 "[ . 1 . 2]" 1
1070 1 70 THR MG 1 75 LYS HA 3.750 . 5.700 4.783 4.530 5.058 . 0 0 "[ . 1 . 2]" 1
1071 1 75 LYS HA 1 75 LYS HB3 2.650 . 3.500 2.832 2.534 2.964 . 0 0 "[ . 1 . 2]" 1
1072 1 75 LYS HA 1 75 LYS HB2 2.650 . 3.500 2.822 2.671 2.994 . 0 0 "[ . 1 . 2]" 1
1073 1 75 LYS QE 1 75 LYS HG2 3.150 . 4.500 2.619 2.335 3.150 . 0 0 "[ . 1 . 2]" 1
1074 1 75 LYS HA 1 75 LYS HG2 3.150 . 4.500 3.316 2.564 3.690 . 0 0 "[ . 1 . 2]" 1
1075 1 75 LYS HB3 1 75 LYS HG2 2.650 . 3.500 2.506 2.229 2.997 . 0 0 "[ . 1 . 2]" 1
1076 1 75 LYS QD 1 75 LYS HG2 2.650 . 3.500 2.338 2.200 2.454 . 0 0 "[ . 1 . 2]" 1
1077 1 75 LYS HB2 1 75 LYS HG2 2.650 . 3.500 2.543 2.406 3.029 . 0 0 "[ . 1 . 2]" 1
1078 1 75 LYS QD 1 75 LYS HG3 2.300 . 2.800 2.351 2.181 2.463 . 0 0 "[ . 1 . 2]" 1
1079 1 75 LYS QE 1 78 GLU HG2 3.150 . 4.500 3.378 2.188 4.564 0.064 2 0 "[ . 1 . 2]" 1
1080 1 75 LYS QE 1 78 GLU HG3 3.150 . 4.500 3.401 2.380 4.561 0.061 15 0 "[ . 1 . 2]" 1
1081 1 76 ARG H 1 76 ARG QD 3.400 . 5.000 4.439 3.883 4.671 . 0 0 "[ . 1 . 2]" 1
1082 1 75 LYS HA 1 76 ARG H 2.650 . 3.500 2.153 1.978 2.291 . 0 0 "[ . 1 . 2]" 1
1083 1 75 LYS QD 1 76 ARG H 3.400 . 5.000 3.456 2.600 5.064 0.064 14 0 "[ . 1 . 2]" 1
1084 1 75 LYS H 1 76 ARG H 3.150 . 4.500 4.423 4.190 4.514 0.014 20 0 "[ . 1 . 2]" 1
1085 1 76 ARG H 1 76 ARG HB3 2.300 . 2.800 2.690 2.473 2.811 0.011 19 0 "[ . 1 . 2]" 1
1086 1 76 ARG H 1 76 ARG HB2 2.300 . 2.800 2.539 2.314 2.774 . 0 0 "[ . 1 . 2]" 1
1087 1 75 LYS HG2 1 76 ARG H 3.150 . 4.500 4.384 3.391 4.621 0.121 15 0 "[ . 1 . 2]" 1
1088 1 76 ARG H 1 77 TRP HD1 3.750 . 5.700 4.919 4.467 5.466 . 0 0 "[ . 1 . 2]" 1
1089 1 76 ARG HA 1 76 ARG HB2 2.650 . 3.500 2.565 2.471 2.682 . 0 0 "[ . 1 . 2]" 1
1090 1 69 PHE QD 1 76 ARG QG 3.150 . 4.500 2.987 2.436 3.849 . 0 0 "[ . 1 . 2]" 1
1091 1 76 ARG HE 2 22 GLU QG 3.150 . 4.500 4.227 3.599 4.566 0.066 20 0 "[ . 1 . 2]" 1
1092 1 76 ARG QD 1 76 ARG HE 2.650 . 3.500 2.404 2.213 2.483 . 0 0 "[ . 1 . 2]" 1
1093 1 76 ARG HB3 1 76 ARG QD 3.150 . 4.500 2.683 2.383 3.335 . 0 0 "[ . 1 . 2]" 1
1094 1 76 ARG HB2 1 76 ARG QD 2.650 . 3.500 2.428 2.244 2.796 . 0 0 "[ . 1 . 2]" 1
1095 1 76 ARG QD 2 22 GLU HB2 3.150 . 4.500 3.683 2.938 4.541 0.041 16 0 "[ . 1 . 2]" 1
1096 1 75 LYS HG2 1 77 TRP H 3.400 . 5.000 4.641 3.195 5.158 0.158 8 0 "[ . 1 . 2]" 1
1097 1 76 ARG HA 1 77 TRP H 2.650 . 3.500 3.483 3.357 3.530 0.030 4 0 "[ . 1 . 2]" 1
1098 1 76 ARG QD 1 77 TRP H 3.750 . 5.700 4.541 4.134 4.965 . 0 0 "[ . 1 . 2]" 1
1099 1 69 PHE QD 1 77 TRP H 3.750 . 5.700 4.753 4.356 5.359 . 0 0 "[ . 1 . 2]" 1
1100 1 77 TRP H 1 77 TRP HE1 3.750 . 5.700 4.873 4.621 5.090 . 0 0 "[ . 1 . 2]" 1
1101 1 70 THR HB 1 77 TRP H 3.750 . 5.700 5.436 4.625 5.760 0.060 16 0 "[ . 1 . 2]" 1
1102 1 77 TRP H 1 77 TRP HA 2.650 . 3.500 2.863 2.807 2.903 . 0 0 "[ . 1 . 2]" 1
1103 1 77 TRP H 1 77 TRP HB2 3.150 . 4.500 3.955 3.885 4.069 . 0 0 "[ . 1 . 2]" 1
1104 1 77 TRP H 1 77 TRP HB3 3.150 . 4.500 3.489 3.345 3.585 . 0 0 "[ . 1 . 2]" 1
1105 1 77 TRP H 1 77 TRP HD1 2.650 . 3.500 3.321 2.889 3.576 0.076 16 0 "[ . 1 . 2]" 1
1106 1 77 TRP H 1 78 GLU H 3.150 . 4.500 4.280 4.147 4.422 . 0 0 "[ . 1 . 2]" 1
1107 1 76 ARG H 1 77 TRP H 2.650 . 3.500 2.406 2.064 2.692 . 0 0 "[ . 1 . 2]" 1
1108 1 76 ARG HB2 1 77 TRP H 2.650 . 3.500 3.545 3.255 3.635 0.135 8 0 "[ . 1 . 2]" 1
1109 1 76 ARG HB3 1 77 TRP H 2.900 . 4.000 2.338 2.087 2.746 . 0 0 "[ . 1 . 2]" 1
1110 1 77 TRP HA 1 77 TRP HE3 3.750 . 5.700 4.378 4.300 4.532 . 0 0 "[ . 1 . 2]" 1
1111 1 77 TRP HA 1 77 TRP HB3 2.650 . 3.500 2.444 2.408 2.496 . 0 0 "[ . 1 . 2]" 1
1112 1 70 THR H 1 77 TRP HA 2.650 . 3.500 2.253 2.047 2.450 . 0 0 "[ . 1 . 2]" 1
1113 1 75 LYS HG3 1 77 TRP HA 3.750 . 5.700 4.825 3.636 5.796 0.096 8 0 "[ . 1 . 2]" 1
1114 1 77 TRP HB2 1 77 TRP HE3 3.150 . 4.500 2.523 2.415 2.618 . 0 0 "[ . 1 . 2]" 1
1115 1 77 TRP HB3 1 77 TRP HE3 3.150 . 4.500 4.076 3.971 4.151 . 0 0 "[ . 1 . 2]" 1
1116 1 77 TRP HE1 2 23 ALA MB 3.150 . 4.500 2.746 2.198 3.350 . 0 0 "[ . 1 . 2]" 1
1117 1 77 TRP HE1 2 19 ARG HB2 2.650 . 3.500 3.539 3.420 3.585 0.085 7 0 "[ . 1 . 2]" 1
1118 1 77 TRP HE1 2 19 ARG HB3 3.150 . 4.500 1.948 1.873 2.032 . 0 0 "[ . 1 . 2]" 1
1119 1 77 TRP HE1 2 23 ALA H 3.150 . 4.500 3.344 2.986 3.614 . 0 0 "[ . 1 . 2]" 1
1120 1 77 TRP HE1 2 23 ALA HA 3.150 . 4.500 4.400 4.098 4.530 0.030 2 0 "[ . 1 . 2]" 1
1121 1 77 TRP HE1 2 20 HIS HA 3.150 . 4.500 3.943 3.492 4.487 . 0 0 "[ . 1 . 2]" 1
1122 1 77 TRP HZ3 1 79 TYR QD 3.150 . 4.500 3.066 2.729 3.573 . 0 0 "[ . 1 . 2]" 1
1123 1 23 THR MG 1 78 GLU H 3.150 . 4.500 3.534 3.233 4.054 . 0 0 "[ . 1 . 2]" 1
1124 1 77 TRP HA 1 78 GLU H 2.300 . 2.800 2.357 2.273 2.455 . 0 0 "[ . 1 . 2]" 1
1125 1 77 TRP HB3 1 78 GLU H 2.650 . 3.500 3.589 3.541 3.640 0.140 7 0 "[ . 1 . 2]" 1
1126 1 23 THR HB 1 78 GLU H 3.750 . 5.700 4.908 4.685 5.263 . 0 0 "[ . 1 . 2]" 1
1127 1 77 TRP HE3 1 78 GLU H 2.650 . 3.500 2.836 2.661 3.004 . 0 0 "[ . 1 . 2]" 1
1128 1 68 CYS HB3 1 78 GLU H 3.750 . 5.700 4.746 4.500 5.817 0.117 7 0 "[ . 1 . 2]" 1
1129 1 68 CYS HA 1 78 GLU H 3.750 . 5.700 5.003 4.760 5.288 . 0 0 "[ . 1 . 2]" 1
1130 1 78 GLU H 1 79 TYR HA 3.750 . 5.700 4.711 4.589 4.825 . 0 0 "[ . 1 . 2]" 1
1131 1 78 GLU H 1 78 GLU HA 2.650 . 3.500 2.907 2.875 2.944 . 0 0 "[ . 1 . 2]" 1
1132 1 78 GLU H 1 79 TYR H 3.150 . 4.500 4.320 4.260 4.380 . 0 0 "[ . 1 . 2]" 1
1133 1 78 GLU H 1 78 GLU HG2 3.400 . 5.000 4.234 3.511 4.735 . 0 0 "[ . 1 . 2]" 1
1134 1 78 GLU H 1 78 GLU HB3 3.150 . 4.500 3.526 2.997 3.962 . 0 0 "[ . 1 . 2]" 1
1135 1 78 GLU H 1 78 GLU HB2 2.650 . 3.500 2.959 2.583 3.377 . 0 0 "[ . 1 . 2]" 1
1136 1 77 TRP HB2 1 78 GLU H 3.150 . 4.500 2.231 2.180 2.312 . 0 0 "[ . 1 . 2]" 1
1137 1 70 THR MG 1 78 GLU H 3.750 . 5.700 3.983 2.901 4.742 . 0 0 "[ . 1 . 2]" 1
1138 1 78 GLU HA 1 78 GLU HG2 3.150 . 4.500 2.703 2.382 2.987 . 0 0 "[ . 1 . 2]" 1
1139 1 78 GLU HA 1 78 GLU HG3 3.150 . 4.500 3.113 2.404 3.744 . 0 0 "[ . 1 . 2]" 1
1140 1 78 GLU HA 1 78 GLU HB2 2.650 . 3.500 2.870 2.621 3.036 . 0 0 "[ . 1 . 2]" 1
1141 1 78 GLU HB2 1 78 GLU HG3 2.650 . 3.500 2.391 2.285 2.517 . 0 0 "[ . 1 . 2]" 1
1142 1 23 THR MG 1 78 GLU HB3 3.150 . 4.500 2.798 2.055 3.717 . 0 0 "[ . 1 . 2]" 1
1143 1 78 GLU HB3 1 78 GLU HG3 2.650 . 3.500 2.853 2.482 3.020 . 0 0 "[ . 1 . 2]" 1
1144 1 78 GLU HB2 1 78 GLU HG2 2.650 . 3.500 2.853 2.489 3.020 . 0 0 "[ . 1 . 2]" 1
1145 1 23 THR HB 1 78 GLU HG3 3.150 . 4.500 3.964 3.003 4.530 0.030 11 0 "[ . 1 . 2]" 1
1146 1 24 MET HG3 1 79 TYR H 3.150 . 4.500 3.979 3.013 4.571 0.071 20 0 "[ . 1 . 2]" 1
1147 1 67 TRP HA 1 79 TYR H 3.750 . 5.700 4.936 4.764 5.189 . 0 0 "[ . 1 . 2]" 1
1148 1 78 GLU HG2 1 79 TYR H 3.150 . 4.500 3.491 1.866 4.548 0.048 16 0 "[ . 1 . 2]" 1
1149 1 23 THR HB 1 79 TYR H 3.750 . 5.700 4.382 4.030 4.798 . 0 0 "[ . 1 . 2]" 1
1150 1 24 MET HG2 1 79 TYR H 3.150 . 4.500 3.445 3.095 4.176 . 0 0 "[ . 1 . 2]" 1
1151 1 77 TRP HE3 1 79 TYR H 3.150 . 4.500 3.818 3.423 4.365 . 0 0 "[ . 1 . 2]" 1
1152 1 79 TYR H 1 80 CYS H 3.150 . 4.500 4.522 4.491 4.559 0.059 3 0 "[ . 1 . 2]" 1
1153 1 79 TYR H 1 79 TYR QD 3.150 . 4.500 2.764 2.428 3.345 . 0 0 "[ . 1 . 2]" 1
1154 1 79 TYR H 1 79 TYR HA 2.650 . 3.500 2.842 2.805 2.914 . 0 0 "[ . 1 . 2]" 1
1155 1 79 TYR H 1 79 TYR HB3 2.650 . 3.500 3.525 3.503 3.544 0.044 8 0 "[ . 1 . 2]" 1
1156 1 79 TYR H 1 79 TYR HB2 2.650 . 3.500 2.279 2.228 2.362 . 0 0 "[ . 1 . 2]" 1
1157 1 78 GLU HB3 1 79 TYR H 3.150 . 4.500 2.931 2.211 3.721 . 0 0 "[ . 1 . 2]" 1
1158 1 78 GLU HB2 1 79 TYR H 3.150 . 4.500 3.899 3.441 4.296 . 0 0 "[ . 1 . 2]" 1
1159 1 78 GLU HA 1 79 TYR H 2.300 . 2.800 2.319 2.217 2.422 . 0 0 "[ . 1 . 2]" 1
1160 1 79 TYR HA 1 79 TYR HB2 2.650 . 3.500 3.001 2.988 3.020 . 0 0 "[ . 1 . 2]" 1
1161 1 79 TYR HA 1 79 TYR HB3 2.650 . 3.500 2.586 2.515 2.681 . 0 0 "[ . 1 . 2]" 1
1162 1 79 TYR HB3 1 79 TYR QD 2.650 . 3.500 2.428 2.308 2.530 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ARG HD2 1 79 TYR HB3 3.150 . 4.500 3.373 2.309 4.535 0.035 9 0 "[ . 1 . 2]" 1
1164 1 79 TYR HB2 1 79 TYR QD 2.650 . 3.500 2.361 2.312 2.430 . 0 0 "[ . 1 . 2]" 1
1165 1 77 TRP HH2 1 79 TYR QE 3.150 . 4.500 2.767 2.456 3.175 . 0 0 "[ . 1 . 2]" 1
1166 1 79 TYR QD 1 80 CYS H 2.650 . 3.500 3.239 2.838 3.535 0.035 8 0 "[ . 1 . 2]" 1
1167 1 80 CYS H 1 80 CYS HB2 2.650 . 3.500 2.497 2.275 2.716 . 0 0 "[ . 1 . 2]" 1
1168 1 67 TRP HA 1 80 CYS H 2.650 . 3.500 2.193 1.915 2.572 . 0 0 "[ . 1 . 2]" 1
1169 1 23 THR MG 1 80 CYS HB2 3.750 . 5.700 4.568 3.808 5.555 . 0 0 "[ . 1 . 2]" 1
1170 1 79 TYR HA 1 80 CYS H 2.300 . 2.800 2.277 2.187 2.344 . 0 0 "[ . 1 . 2]" 1
1171 1 80 CYS HB3 1 82 ILE MD 3.150 . 4.500 2.640 2.216 3.353 . 0 0 "[ . 1 . 2]" 1
1172 1 80 CYS HA 1 80 CYS HB3 2.650 . 3.500 2.819 2.560 2.969 . 0 0 "[ . 1 . 2]" 1
1173 1 80 CYS HB3 1 82 ILE HG12 3.150 . 4.500 3.148 2.347 3.930 . 0 0 "[ . 1 . 2]" 1
1174 1 79 TYR HB3 1 80 CYS H 2.650 . 3.500 2.601 2.482 2.760 . 0 0 "[ . 1 . 2]" 1
1175 1 80 CYS H 1 81 ASP H 3.150 . 4.500 4.378 4.316 4.455 . 0 0 "[ . 1 . 2]" 1
1176 1 66 PRO HB2 1 80 CYS H 3.400 . 5.000 4.220 3.797 4.553 . 0 0 "[ . 1 . 2]" 1
1177 1 66 PRO HB3 1 80 CYS H 3.750 . 5.700 5.433 5.142 5.746 0.046 3 0 "[ . 1 . 2]" 1
1178 1 67 TRP H 1 80 CYS H 3.150 . 4.500 4.337 4.093 4.528 0.028 4 0 "[ . 1 . 2]" 1
1179 1 80 CYS H 1 80 CYS HB3 2.900 . 4.000 3.049 2.611 3.627 . 0 0 "[ . 1 . 2]" 1
1180 1 57 CYS HB3 1 80 CYS HB3 3.150 . 4.500 2.884 2.580 4.145 . 0 0 "[ . 1 . 2]" 1
1181 1 80 CYS HB2 1 82 ILE MD 3.150 . 4.500 3.480 2.924 4.011 . 0 0 "[ . 1 . 2]" 1
1182 1 80 CYS HA 1 80 CYS HB2 2.650 . 3.500 2.794 2.631 3.005 . 0 0 "[ . 1 . 2]" 1
1183 1 80 CYS HB3 1 81 ASP H 2.650 . 3.500 3.503 3.153 3.616 0.116 6 0 "[ . 1 . 2]" 1
1184 1 24 MET H 1 81 ASP H 3.150 . 4.500 3.678 3.355 3.975 . 0 0 "[ . 1 . 2]" 1
1185 1 80 CYS HA 1 81 ASP H 2.650 . 3.500 2.234 2.151 2.358 . 0 0 "[ . 1 . 2]" 1
1186 1 81 ASP H 1 81 ASP HB3 2.650 . 3.500 2.642 2.461 2.799 . 0 0 "[ . 1 . 2]" 1
1187 1 81 ASP H 1 82 ILE MD 3.750 . 5.700 4.502 3.725 5.546 . 0 0 "[ . 1 . 2]" 1
1188 1 24 MET HA 1 81 ASP H 3.150 . 4.500 2.872 2.333 3.144 . 0 0 "[ . 1 . 2]" 1
1189 1 81 ASP H 1 82 ILE H 3.150 . 4.500 3.904 3.805 4.110 . 0 0 "[ . 1 . 2]" 1
1190 1 24 MET HB2 1 81 ASP H 3.150 . 4.500 4.307 3.630 4.528 0.028 2 0 "[ . 1 . 2]" 1
1191 1 81 ASP H 1 81 ASP HB2 2.650 . 3.500 2.873 2.712 3.046 . 0 0 "[ . 1 . 2]" 1
1192 1 81 ASP HA 1 81 ASP HB2 2.650 . 3.500 2.488 2.442 2.584 . 0 0 "[ . 1 . 2]" 1
1193 1 81 ASP HA 1 81 ASP HB3 2.650 . 3.500 3.024 3.004 3.035 . 0 0 "[ . 1 . 2]" 1
1194 1 24 MET HB2 1 81 ASP HB2 3.150 . 4.500 2.729 1.985 3.174 . 0 0 "[ . 1 . 2]" 1
1195 1 24 MET HA 1 81 ASP HB2 3.150 . 4.500 2.835 2.159 3.594 . 0 0 "[ . 1 . 2]" 1
1196 1 65 ARG HD2 1 82 ILE H 3.750 . 5.700 4.537 2.935 5.717 0.017 18 0 "[ . 1 . 2]" 1
1197 1 82 ILE H 1 82 ILE HB 2.650 . 3.500 2.538 2.419 2.714 . 0 0 "[ . 1 . 2]" 1
1198 1 81 ASP HB3 1 82 ILE H 3.400 . 5.000 4.381 4.306 4.475 . 0 0 "[ . 1 . 2]" 1
1199 1 81 ASP HA 1 82 ILE H 2.650 . 3.500 2.103 2.036 2.178 . 0 0 "[ . 1 . 2]" 1
1200 1 65 ARG HD3 1 82 ILE H 3.750 . 5.700 3.864 2.402 5.618 . 0 0 "[ . 1 . 2]" 1
1201 1 81 ASP HB2 1 82 ILE H 3.150 . 4.500 4.448 4.362 4.507 0.007 8 0 "[ . 1 . 2]" 1
1202 1 82 ILE H 1 82 ILE HG12 2.650 . 3.500 2.917 2.088 3.586 0.086 10 0 "[ . 1 . 2]" 1
1203 1 82 ILE H 1 82 ILE HA 2.650 . 3.500 2.905 2.873 2.938 . 0 0 "[ . 1 . 2]" 1
1204 1 82 ILE H 1 82 ILE HG13 2.650 . 3.500 2.932 2.248 3.578 0.078 14 0 "[ . 1 . 2]" 1
1205 1 82 ILE H 1 83 PRO HD2 3.400 . 5.000 4.977 4.884 5.018 0.018 14 0 "[ . 1 . 2]" 1
1206 1 82 ILE HA 1 83 PRO HD3 2.650 . 3.500 2.257 2.140 2.407 . 0 0 "[ . 1 . 2]" 1
1207 1 82 ILE HA 1 83 PRO HD2 2.650 . 3.500 2.304 2.104 2.378 . 0 0 "[ . 1 . 2]" 1
1208 1 82 ILE HA 1 82 ILE MG 3.150 . 4.500 2.360 2.250 2.439 . 0 0 "[ . 1 . 2]" 1
1209 1 82 ILE HB 1 82 ILE HG13 2.650 . 3.500 2.430 2.375 2.495 . 0 0 "[ . 1 . 2]" 1
1210 1 66 PRO HB2 1 82 ILE MD 3.150 . 4.500 2.493 1.948 3.458 . 0 0 "[ . 1 . 2]" 1
1211 1 82 ILE HA 1 82 ILE MD 3.150 . 4.500 3.100 2.080 3.928 . 0 0 "[ . 1 . 2]" 1
1212 1 66 PRO HB3 1 82 ILE MD 3.750 . 5.700 3.390 2.609 4.217 . 0 0 "[ . 1 . 2]" 1
1213 1 16 TYR QE 1 82 ILE MG 3.150 . 4.500 2.975 2.476 3.378 . 0 0 "[ . 1 . 2]" 1
1214 1 82 ILE HG12 1 82 ILE MG 3.150 . 4.500 2.780 2.357 3.226 . 0 0 "[ . 1 . 2]" 1
1215 1 9 MET HB2 1 82 ILE MG 3.150 . 4.500 3.122 2.017 4.522 0.022 16 0 "[ . 1 . 2]" 1
1216 1 83 PRO HA 1 84 ARG QB 3.750 . 5.700 4.173 3.761 4.435 . 0 0 "[ . 1 . 2]" 1
1217 1 83 PRO HA 1 83 PRO HB3 2.650 . 3.500 2.380 2.336 2.433 . 0 0 "[ . 1 . 2]" 1
1218 1 83 PRO HB3 1 83 PRO HG2 2.650 . 3.500 2.609 2.586 2.631 . 0 0 "[ . 1 . 2]" 1
1219 1 83 PRO HB2 1 83 PRO HG2 2.300 . 2.800 2.360 2.338 2.410 . 0 0 "[ . 1 . 2]" 1
1220 1 83 PRO HD2 1 83 PRO HG3 2.650 . 3.500 2.991 2.977 3.001 . 0 0 "[ . 1 . 2]" 1
1221 1 83 PRO HD3 1 83 PRO HG3 2.650 . 3.500 2.311 2.296 2.334 . 0 0 "[ . 1 . 2]" 1
1222 1 83 PRO HA 1 83 PRO HD3 3.150 . 4.500 3.482 3.334 3.642 . 0 0 "[ . 1 . 2]" 1
1223 1 82 ILE MG 1 83 PRO HD2 3.750 . 5.700 2.368 2.096 2.871 . 0 0 "[ . 1 . 2]" 1
1224 1 82 ILE MG 1 83 PRO HD3 3.150 . 4.500 3.504 3.292 3.816 . 0 0 "[ . 1 . 2]" 1
1225 1 83 PRO HA 1 83 PRO HD2 3.150 . 4.500 3.901 3.879 3.924 . 0 0 "[ . 1 . 2]" 1
1226 1 83 PRO HD2 1 83 PRO HG2 2.650 . 3.500 2.326 2.302 2.344 . 0 0 "[ . 1 . 2]" 1
1227 1 84 ARG H 1 84 ARG HD3 3.150 . 4.500 4.171 2.710 4.587 0.087 6 0 "[ . 1 . 2]" 1
1228 1 8 CYS HA 1 84 ARG H 3.400 . 5.000 4.538 4.023 5.011 0.011 7 0 "[ . 1 . 2]" 1
1229 1 8 CYS HB3 1 84 ARG H 3.150 . 4.500 4.324 3.895 4.582 0.082 20 0 "[ . 1 . 2]" 1
1230 1 9 MET H 1 84 ARG H 3.150 . 4.500 4.389 3.948 4.651 0.151 6 0 "[ . 1 . 2]" 1
1231 1 83 PRO HA 1 84 ARG H 2.300 . 2.800 2.208 2.107 2.376 . 0 0 "[ . 1 . 2]" 1
1232 1 83 PRO HB3 1 84 ARG H 3.150 . 4.500 3.356 2.670 3.822 . 0 0 "[ . 1 . 2]" 1
1233 1 84 ARG H 1 84 ARG HA 2.650 . 3.500 2.916 2.872 2.949 . 0 0 "[ . 1 . 2]" 1
1234 1 84 ARG H 1 84 ARG QB 2.300 . 2.800 2.536 2.203 2.908 0.108 10 0 "[ . 1 . 2]" 1
1235 1 84 ARG QB 1 84 ARG HD3 2.650 . 3.500 2.616 2.146 3.497 . 0 0 "[ . 1 . 2]" 1
1236 1 84 ARG QB 1 84 ARG HD2 2.650 . 3.500 2.846 2.272 3.466 . 0 0 "[ . 1 . 2]" 1
1237 1 84 ARG HA 1 84 ARG HG2 3.150 . 4.500 3.093 2.495 3.773 . 0 0 "[ . 1 . 2]" 1
1238 1 84 ARG HD2 1 84 ARG HG2 2.650 . 3.500 2.686 2.386 3.036 . 0 0 "[ . 1 . 2]" 1
1239 1 84 ARG HD3 1 84 ARG HE 2.650 . 3.500 2.738 2.432 2.963 . 0 0 "[ . 1 . 2]" 1
1240 1 85 CYS H 1 85 CYS HB3 2.650 . 3.500 3.519 3.019 3.609 0.109 5 0 "[ . 1 . 2]" 1
1241 1 8 CYS HA 1 85 CYS H 3.400 . 5.000 4.659 4.299 5.045 0.045 17 0 "[ . 1 . 2]" 1
1242 1 84 ARG HG2 1 85 CYS H 3.150 . 4.500 4.083 3.074 4.650 0.150 16 0 "[ . 1 . 2]" 1
1243 1 85 CYS H 1 85 CYS HA 2.650 . 3.500 2.866 2.818 2.937 . 0 0 "[ . 1 . 2]" 1
1244 1 85 CYS H 1 85 CYS HB2 2.300 . 2.800 2.457 2.271 2.769 . 0 0 "[ . 1 . 2]" 1
1245 1 84 ARG HA 1 85 CYS H 2.300 . 2.800 2.163 2.078 2.256 . 0 0 "[ . 1 . 2]" 1
1246 1 8 CYS HB2 1 85 CYS H 3.400 . 5.000 2.756 2.211 3.279 . 0 0 "[ . 1 . 2]" 1
1247 1 85 CYS HA 1 85 CYS HB3 2.650 . 3.500 2.689 2.584 2.962 . 0 0 "[ . 1 . 2]" 1
1248 1 85 CYS HA 1 85 CYS HB2 2.650 . 3.500 2.957 2.730 3.018 . 0 0 "[ . 1 . 2]" 1
1249 1 8 CYS HB2 1 85 CYS HB3 3.150 . 4.500 4.039 3.474 4.519 0.019 8 0 "[ . 1 . 2]" 1
1250 1 86 ALA H 1 86 ALA HA 2.650 . 3.500 2.852 2.246 2.939 . 0 0 "[ . 1 . 2]" 1
1251 1 85 CYS HB2 1 86 ALA H 3.150 . 4.500 4.125 3.595 4.452 . 0 0 "[ . 1 . 2]" 1
1252 1 86 ALA H 1 86 ALA MB 2.650 . 3.500 2.315 2.216 2.952 . 0 0 "[ . 1 . 2]" 1
1253 1 85 CYS HB3 1 86 ALA H 2.650 . 3.500 2.956 2.123 3.524 0.024 16 0 "[ . 1 . 2]" 1
1254 1 8 CYS HB2 1 86 ALA H 3.750 . 5.700 5.557 4.588 5.724 0.024 3 0 "[ . 1 . 2]" 1
1255 1 86 ALA H 1 87 ALA H 3.150 . 4.500 2.673 1.960 3.623 . 0 0 "[ . 1 . 2]" 1
1256 1 85 CYS HA 1 86 ALA H 2.300 . 2.800 2.311 2.068 2.592 . 0 0 "[ . 1 . 2]" 1
1257 1 85 CYS HA 1 87 ALA H 3.150 . 4.500 4.039 3.425 4.524 0.024 3 0 "[ . 1 . 2]" 1
1258 1 85 CYS HB3 1 87 ALA H 3.150 . 4.500 2.775 1.889 4.386 . 0 0 "[ . 1 . 2]" 1
1259 1 85 CYS HB2 1 87 ALA H 3.150 . 4.500 4.054 3.418 4.550 0.050 18 0 "[ . 1 . 2]" 1
1260 1 87 ALA H 1 87 ALA MB 2.650 . 3.500 2.464 2.249 3.075 . 0 0 "[ . 1 . 2]" 1
1261 1 87 ALA H 1 87 ALA HA 2.650 . 3.500 2.879 2.597 2.932 . 0 0 "[ . 1 . 2]" 1
1262 2 3 VAL H 2 3 VAL MG1 3.150 . 4.500 2.881 2.046 4.086 . 0 0 "[ . 1 . 2]" 1
1263 2 3 VAL H 2 3 VAL HB 3.150 . 4.500 3.517 2.636 4.032 . 0 0 "[ . 1 . 2]" 1
1264 2 2 SER HA 2 3 VAL H 2.650 . 3.500 2.531 2.160 3.531 0.031 5 0 "[ . 1 . 2]" 1
1265 2 2 SER HB2 2 3 VAL H 3.150 . 4.500 3.917 2.663 4.513 0.013 2 0 "[ . 1 . 2]" 1
1266 2 3 VAL H 2 3 VAL HA 2.650 . 3.500 2.735 2.200 2.939 . 0 0 "[ . 1 . 2]" 1
1267 2 3 VAL HA 2 3 VAL HB 2.650 . 3.500 2.615 2.395 3.076 . 0 0 "[ . 1 . 2]" 1
1268 2 3 VAL HA 2 3 VAL MG1 3.150 . 4.500 2.527 2.214 3.257 . 0 0 "[ . 1 . 2]" 1
1269 2 3 VAL H 2 4 GLU H 2.650 . 3.500 2.830 1.858 3.595 0.095 11 0 "[ . 1 . 2]" 1
1270 2 3 VAL MG2 2 4 GLU H 3.150 . 4.500 3.544 1.790 4.268 0.010 9 0 "[ . 1 . 2]" 1
1271 2 3 VAL HA 2 4 GLU H 2.650 . 3.500 2.960 2.060 3.532 0.032 4 0 "[ . 1 . 2]" 1
1272 2 4 GLU H 2 4 GLU HB2 2.650 . 3.500 2.836 2.077 3.536 0.036 2 0 "[ . 1 . 2]" 1
1273 2 4 GLU H 2 4 GLU HG2 3.150 . 4.500 4.301 3.633 4.605 0.105 19 0 "[ . 1 . 2]" 1
1274 2 4 GLU H 2 4 GLU HA 2.650 . 3.500 2.826 2.172 2.942 . 0 0 "[ . 1 . 2]" 1
1275 2 4 GLU HA 2 4 GLU HG3 2.650 . 3.500 2.681 2.384 3.545 0.045 2 0 "[ . 1 . 2]" 1
1276 2 4 GLU HA 2 4 GLU HB2 2.650 . 3.500 2.583 2.426 3.019 . 0 0 "[ . 1 . 2]" 1
1277 2 4 GLU HB3 2 4 GLU HG2 2.300 . 2.800 2.438 2.269 2.752 . 0 0 "[ . 1 . 2]" 1
1278 2 4 GLU HA 2 4 GLU HB3 2.650 . 3.500 2.905 2.273 3.045 . 0 0 "[ . 1 . 2]" 1
1279 2 4 GLU HG2 2 10 ALA MB 3.150 . 4.500 3.803 1.974 4.642 0.142 19 0 "[ . 1 . 2]" 1
1280 2 4 GLU HG2 2 7 THR MG 3.150 . 4.500 4.200 2.827 4.677 0.177 16 0 "[ . 1 . 2]" 1
1281 2 4 GLU HB2 2 5 LYS H 3.150 . 4.500 3.653 1.970 4.507 0.007 8 0 "[ . 1 . 2]" 1
1282 2 5 LYS H 2 5 LYS HB3 2.650 . 3.500 3.136 2.421 3.571 0.071 6 0 "[ . 1 . 2]" 1
1283 2 4 GLU HG3 2 5 LYS H 3.150 . 4.500 3.985 1.807 4.565 0.065 12 0 "[ . 1 . 2]" 1
1284 2 5 LYS H 2 6 LEU H 2.300 . 2.800 2.396 1.744 2.883 0.083 13 0 "[ . 1 . 2]" 1
1285 2 5 LYS H 2 5 LYS QG 3.150 . 4.500 3.940 2.387 4.537 0.037 2 0 "[ . 1 . 2]" 1
1286 2 5 LYS H 2 5 LYS HA 2.650 . 3.500 2.664 2.197 2.977 . 0 0 "[ . 1 . 2]" 1
1287 2 4 GLU H 2 5 LYS H 2.650 . 3.500 3.053 1.813 3.781 0.281 1 0 "[ . 1 . 2]" 1
1288 2 5 LYS HA 2 5 LYS HB2 2.300 . 2.800 2.550 2.393 2.934 0.134 9 0 "[ . 1 . 2]" 1
1289 2 5 LYS HA 2 5 LYS HB3 2.650 . 3.500 2.882 2.430 3.049 . 0 0 "[ . 1 . 2]" 1
1290 2 5 LYS HA 2 5 LYS QG 2.650 . 3.500 2.767 2.298 3.516 0.016 19 0 "[ . 1 . 2]" 1
1291 2 5 LYS HA 2 5 LYS QD 3.750 . 5.700 3.551 2.104 4.542 . 0 0 "[ . 1 . 2]" 1
1292 2 5 LYS QE 2 14 ARG HG3 3.150 . 4.500 3.424 2.180 4.617 0.117 12 0 "[ . 1 . 2]" 1
1293 2 5 LYS QE 2 14 ARG HG2 3.150 . 4.500 4.053 2.327 4.566 0.066 9 0 "[ . 1 . 2]" 1
1294 2 6 LEU H 2 6 LEU HB3 3.150 . 4.500 3.810 3.549 4.120 . 0 0 "[ . 1 . 2]" 1
1295 2 6 LEU H 2 6 LEU HA 2.650 . 3.500 2.704 2.142 2.943 . 0 0 "[ . 1 . 2]" 1
1296 2 5 LYS HA 2 6 LEU H 2.650 . 3.500 2.981 2.251 3.508 0.008 7 0 "[ . 1 . 2]" 1
1297 2 6 LEU H 2 6 LEU HG 2.650 . 3.500 2.914 2.272 3.545 0.045 5 0 "[ . 1 . 2]" 1
1298 2 6 LEU H 2 6 LEU MD1 3.150 . 4.500 4.008 2.624 4.549 0.049 4 0 "[ . 1 . 2]" 1
1299 2 6 LEU HA 2 6 LEU HB2 2.650 . 3.500 3.017 2.994 3.039 . 0 0 "[ . 1 . 2]" 1
1300 2 6 LEU HA 2 7 THR MG 3.750 . 5.700 4.951 3.975 5.866 0.166 12 0 "[ . 1 . 2]" 1
1301 2 6 LEU HA 2 6 LEU MD2 2.650 . 3.500 2.160 2.003 3.585 0.085 5 0 "[ . 1 . 2]" 1
1302 2 6 LEU HA 2 6 LEU HB3 2.300 . 2.800 2.474 2.420 2.534 . 0 0 "[ . 1 . 2]" 1
1303 2 6 LEU HB3 2 6 LEU MD1 2.650 . 3.500 2.412 2.326 3.207 . 0 0 "[ . 1 . 2]" 1
1304 2 6 LEU HA 2 6 LEU HG 2.650 . 3.500 3.117 2.355 3.276 . 0 0 "[ . 1 . 2]" 1
1305 2 7 THR HA 2 7 THR HB 2.300 . 2.800 2.647 2.374 2.974 0.174 3 0 "[ . 1 . 2]" 1
1306 2 7 THR HA 2 7 THR MG 2.650 . 3.500 2.584 2.172 3.259 . 0 0 "[ . 1 . 2]" 1
1307 2 7 THR HB 2 10 ALA MB 3.400 . 5.000 3.565 1.918 4.321 . 0 0 "[ . 1 . 2]" 1
1308 2 8 ALA H 2 8 ALA MB 2.650 . 3.500 2.232 2.160 2.266 . 0 0 "[ . 1 . 2]" 1
1309 2 7 THR HG1 2 8 ALA H 3.150 . 4.500 4.141 2.948 4.561 0.061 11 0 "[ . 1 . 2]" 1
1310 2 7 THR HA 2 8 ALA H 2.300 . 2.800 2.380 2.105 2.730 . 0 0 "[ . 1 . 2]" 1
1311 2 8 ALA H 2 8 ALA HA 2.650 . 3.500 2.797 2.710 2.886 . 0 0 "[ . 1 . 2]" 1
1312 2 8 ALA HA 2 11 GLU HB2 2.650 . 3.500 3.427 3.079 3.549 0.049 13 0 "[ . 1 . 2]" 1
1313 1 47 PHE QE 2 8 ALA HA 2.650 . 3.500 2.645 2.104 3.128 . 0 0 "[ . 1 . 2]" 1
1314 1 47 PHE QD 2 8 ALA HA 3.150 . 4.500 4.286 3.144 4.598 0.098 9 0 "[ . 1 . 2]" 1
1315 1 47 PHE HZ 2 8 ALA HA 3.750 . 5.700 4.336 3.813 5.070 . 0 0 "[ . 1 . 2]" 1
1316 1 47 PHE QE 2 8 ALA MB 3.150 . 4.500 2.329 2.010 3.069 . 0 0 "[ . 1 . 2]" 1
1317 2 8 ALA MB 2 12 LEU MD1 3.750 . 5.700 3.887 2.847 5.664 . 0 0 "[ . 1 . 2]" 1
1318 1 47 PHE QD 2 8 ALA MB 3.150 . 4.500 2.388 1.944 2.800 . 0 0 "[ . 1 . 2]" 1
1319 2 9 ASP H 2 9 ASP HB3 2.650 . 3.500 3.143 2.542 3.586 0.086 10 0 "[ . 1 . 2]" 1
1320 2 8 ALA H 2 9 ASP H 2.650 . 3.500 2.783 2.477 3.012 . 0 0 "[ . 1 . 2]" 1
1321 2 8 ALA HA 2 9 ASP H 2.650 . 3.500 3.515 3.461 3.559 0.059 10 0 "[ . 1 . 2]" 1
1322 2 9 ASP HA 2 12 LEU HB2 3.150 . 4.500 2.807 1.998 4.573 0.073 9 0 "[ . 1 . 2]" 1
1323 2 9 ASP HA 2 12 LEU HB3 2.650 . 3.500 3.495 2.239 3.625 0.125 2 0 "[ . 1 . 2]" 1
1324 2 9 ASP HA 2 12 LEU MD1 3.150 . 4.500 2.378 1.925 3.344 . 0 0 "[ . 1 . 2]" 1
1325 2 9 ASP HA 2 9 ASP HB3 2.650 . 3.500 2.726 2.347 3.015 . 0 0 "[ . 1 . 2]" 1
1326 2 9 ASP HB2 2 10 ALA H 2.650 . 3.500 3.305 2.664 3.608 0.108 8 0 "[ . 1 . 2]" 1
1327 2 7 THR HB 2 10 ALA H 3.150 . 4.500 3.660 2.289 4.570 0.070 17 0 "[ . 1 . 2]" 1
1328 2 9 ASP H 2 10 ALA H 2.650 . 3.500 2.588 2.342 2.830 . 0 0 "[ . 1 . 2]" 1
1329 2 9 ASP HA 2 10 ALA H 2.650 . 3.500 3.441 3.363 3.507 0.007 14 0 "[ . 1 . 2]" 1
1330 2 10 ALA H 2 10 ALA MB 2.650 . 3.500 2.276 2.217 2.326 . 0 0 "[ . 1 . 2]" 1
1331 2 10 ALA H 2 10 ALA HA 2.650 . 3.500 2.865 2.828 2.903 . 0 0 "[ . 1 . 2]" 1
1332 2 10 ALA HA 2 13 GLN HG3 3.750 . 5.700 5.024 4.415 5.607 . 0 0 "[ . 1 . 2]" 1
1333 2 10 ALA HA 2 13 GLN HB2 2.650 . 3.500 2.909 2.207 3.390 . 0 0 "[ . 1 . 2]" 1
1334 2 11 GLU H 2 11 GLU QG 3.150 . 4.500 3.980 3.937 4.042 . 0 0 "[ . 1 . 2]" 1
1335 2 11 GLU H 2 11 GLU HB2 2.300 . 2.800 2.500 2.319 2.614 . 0 0 "[ . 1 . 2]" 1
1336 2 8 ALA HA 2 11 GLU H 2.650 . 3.500 3.433 3.222 3.574 0.074 8 0 "[ . 1 . 2]" 1
1337 2 11 GLU H 2 11 GLU HA 2.650 . 3.500 2.828 2.802 2.866 . 0 0 "[ . 1 . 2]" 1
1338 2 10 ALA MB 2 11 GLU H 3.150 . 4.500 2.593 2.415 2.795 . 0 0 "[ . 1 . 2]" 1
1339 2 10 ALA H 2 11 GLU H 2.300 . 2.800 2.488 2.260 2.680 . 0 0 "[ . 1 . 2]" 1
1340 2 10 ALA HA 2 11 GLU H 2.650 . 3.500 3.503 3.411 3.530 0.030 19 0 "[ . 1 . 2]" 1
1341 2 11 GLU HA 2 14 ARG HB2 3.150 . 4.500 3.272 2.628 3.793 . 0 0 "[ . 1 . 2]" 1
1342 1 47 PHE QE 2 11 GLU HB3 3.150 . 4.500 2.999 2.282 3.405 . 0 0 "[ . 1 . 2]" 1
1343 1 47 PHE HZ 2 11 GLU HB3 3.150 . 4.500 3.002 2.430 3.587 . 0 0 "[ . 1 . 2]" 1
1344 1 47 PHE QE 2 11 GLU QG 3.150 . 4.500 3.744 3.091 4.438 . 0 0 "[ . 1 . 2]" 1
1345 2 11 GLU HA 2 11 GLU QG 3.150 . 4.500 2.635 2.386 3.026 . 0 0 "[ . 1 . 2]" 1
1346 1 46 LYS QE 2 11 GLU QG 3.750 . 5.700 3.982 1.998 5.470 . 0 0 "[ . 1 . 2]" 1
1347 2 11 GLU HB2 2 11 GLU QG 2.300 . 2.800 2.371 2.314 2.427 . 0 0 "[ . 1 . 2]" 1
1348 2 11 GLU QG 2 15 LEU HG 3.150 . 4.500 2.805 2.522 3.433 . 0 0 "[ . 1 . 2]" 1
1349 1 47 PHE HZ 2 11 GLU QG 2.650 . 3.500 2.699 2.040 3.475 . 0 0 "[ . 1 . 2]" 1
1350 2 9 ASP HA 2 12 LEU H 2.650 . 3.500 3.399 3.198 3.546 0.046 8 0 "[ . 1 . 2]" 1
1351 2 11 GLU H 2 12 LEU H 2.650 . 3.500 2.561 2.354 2.700 . 0 0 "[ . 1 . 2]" 1
1352 2 12 LEU H 2 12 LEU MD2 3.750 . 5.700 3.591 3.307 3.894 . 0 0 "[ . 1 . 2]" 1
1353 2 12 LEU H 2 12 LEU MD1 3.150 . 4.500 3.625 3.473 3.838 . 0 0 "[ . 1 . 2]" 1
1354 2 12 LEU H 2 12 LEU HA 2.650 . 3.500 2.765 2.659 2.810 . 0 0 "[ . 1 . 2]" 1
1355 2 12 LEU H 2 14 ARG H 3.150 . 4.500 4.228 4.022 4.435 . 0 0 "[ . 1 . 2]" 1
1356 2 12 LEU H 2 12 LEU HG 2.650 . 3.500 2.599 2.257 3.768 0.268 20 0 "[ . 1 . 2]" 1
1357 2 12 LEU H 2 12 LEU HB3 2.650 . 3.500 3.097 1.909 3.533 0.033 16 0 "[ . 1 . 2]" 1
1358 2 12 LEU H 2 12 LEU HB2 2.650 . 3.500 2.559 2.051 3.549 0.049 2 0 "[ . 1 . 2]" 1
1359 2 11 GLU HB3 2 12 LEU H 2.650 . 3.500 2.412 2.162 2.657 . 0 0 "[ . 1 . 2]" 1
1360 2 12 LEU HA 2 12 LEU HB3 2.650 . 3.500 2.603 2.385 2.978 . 0 0 "[ . 1 . 2]" 1
1361 2 11 GLU QG 2 12 LEU HA 3.150 . 4.500 3.830 3.452 4.337 . 0 0 "[ . 1 . 2]" 1
1362 2 12 LEU HA 2 12 LEU MD1 3.150 . 4.500 3.762 3.514 3.882 . 0 0 "[ . 1 . 2]" 1
1363 2 12 LEU HA 2 15 LEU MD1 3.400 . 5.000 2.455 1.991 3.267 . 0 0 "[ . 1 . 2]" 1
1364 2 12 LEU HA 2 12 LEU MD2 3.150 . 4.500 2.555 1.981 4.134 . 0 0 "[ . 1 . 2]" 1
1365 2 12 LEU HA 2 15 LEU HB2 2.650 . 3.500 2.584 2.163 3.227 . 0 0 "[ . 1 . 2]" 1
1366 2 12 LEU HA 2 12 LEU HG 3.150 . 4.500 3.156 2.740 3.874 . 0 0 "[ . 1 . 2]" 1
1367 1 47 PHE QE 2 12 LEU MD1 3.150 . 4.500 3.797 3.288 4.585 0.085 17 0 "[ . 1 . 2]" 1
1368 1 47 PHE QD 2 12 LEU MD2 3.750 . 5.700 2.858 2.035 3.312 . 0 0 "[ . 1 . 2]" 1
1369 1 42 TYR QD 2 12 LEU MD2 3.150 . 4.500 3.336 2.558 4.599 0.099 12 0 "[ . 1 . 2]" 1
1370 1 42 TYR QE 2 12 LEU MD2 3.150 . 4.500 2.971 2.047 4.527 0.027 12 0 "[ . 1 . 2]" 1
1371 2 12 LEU MD2 2 15 LEU MD1 3.750 . 5.700 3.255 2.136 5.249 . 0 0 "[ . 1 . 2]" 1
1372 2 12 LEU HB2 2 12 LEU MD1 3.150 . 4.500 2.349 2.238 3.062 . 0 0 "[ . 1 . 2]" 1
1373 2 12 LEU HB3 2 12 LEU MD1 3.150 . 4.500 2.569 2.187 3.150 . 0 0 "[ . 1 . 2]" 1
1374 1 50 LYS HE3 2 12 LEU MD1 3.150 . 4.500 3.583 2.075 4.561 0.061 12 0 "[ . 1 . 2]" 1
1375 1 47 PHE QE 2 12 LEU MD2 3.750 . 5.700 2.884 2.342 3.094 . 0 0 "[ . 1 . 2]" 1
1376 1 47 PHE QD 2 12 LEU MD1 3.150 . 4.500 3.496 2.810 4.684 0.184 2 0 "[ . 1 . 2]" 1
1377 1 60 PRO HB2 2 12 LEU MD2 3.150 . 4.500 2.681 2.049 3.917 . 0 0 "[ . 1 . 2]" 1
1378 1 47 PHE QE 2 12 LEU HG 3.150 . 4.500 2.957 2.369 3.935 . 0 0 "[ . 1 . 2]" 1
1379 2 12 LEU HB2 2 12 LEU HG 2.650 . 3.500 2.586 1.952 3.037 . 0 0 "[ . 1 . 2]" 1
1380 2 12 LEU HB3 2 13 GLN H 2.650 . 3.500 3.358 2.406 3.697 0.197 3 0 "[ . 1 . 2]" 1
1381 2 12 LEU HA 2 13 GLN H 2.650 . 3.500 3.472 3.326 3.525 0.025 14 0 "[ . 1 . 2]" 1
1382 2 12 LEU H 2 13 GLN H 2.650 . 3.500 2.701 2.438 2.871 . 0 0 "[ . 1 . 2]" 1
1383 2 10 ALA HA 2 13 GLN H 2.650 . 3.500 3.253 2.844 3.533 0.033 2 0 "[ . 1 . 2]" 1
1384 2 13 GLN H 2 13 GLN HB2 2.650 . 3.500 2.443 1.996 2.696 . 0 0 "[ . 1 . 2]" 1
1385 2 13 GLN H 2 13 GLN HG3 3.150 . 4.500 4.464 4.225 4.538 0.038 3 0 "[ . 1 . 2]" 1
1386 2 13 GLN H 2 13 GLN HA 2.650 . 3.500 2.813 2.767 2.858 . 0 0 "[ . 1 . 2]" 1
1387 2 13 GLN HA 2 13 GLN HB3 2.650 . 3.500 2.990 2.738 3.029 . 0 0 "[ . 1 . 2]" 1
1388 2 13 GLN HA 2 16 LYS HB3 2.650 . 3.500 2.695 2.424 3.018 . 0 0 "[ . 1 . 2]" 1
1389 2 13 GLN HB3 2 13 GLN HG2 2.650 . 3.500 2.424 2.310 2.514 . 0 0 "[ . 1 . 2]" 1
1390 2 10 ALA HA 2 13 GLN HB3 3.150 . 4.500 2.721 2.194 3.912 . 0 0 "[ . 1 . 2]" 1
1391 2 13 GLN HB3 2 13 GLN HG3 2.650 . 3.500 2.769 2.354 3.018 . 0 0 "[ . 1 . 2]" 1
1392 2 13 GLN HA 2 13 GLN HG3 2.650 . 3.500 2.723 2.502 3.123 . 0 0 "[ . 1 . 2]" 1
1393 2 13 GLN HA 2 13 GLN HG2 2.650 . 3.500 3.341 3.008 3.682 0.182 6 0 "[ . 1 . 2]" 1
1394 2 13 GLN HE21 2 13 GLN HG2 3.150 . 4.500 2.714 2.171 3.510 . 0 0 "[ . 1 . 2]" 1
1395 2 13 GLN HB3 2 14 ARG H 2.650 . 3.500 2.565 2.271 3.091 . 0 0 "[ . 1 . 2]" 1
1396 2 13 GLN HG3 2 14 ARG H 3.400 . 5.000 4.454 3.707 4.984 . 0 0 "[ . 1 . 2]" 1
1397 2 13 GLN HA 2 14 ARG H 2.650 . 3.500 3.512 3.487 3.543 0.043 9 0 "[ . 1 . 2]" 1
1398 2 13 GLN H 2 14 ARG H 2.300 . 2.800 2.724 2.671 2.803 0.003 9 0 "[ . 1 . 2]" 1
1399 2 14 ARG H 2 14 ARG HB2 2.650 . 3.500 2.312 2.066 2.478 . 0 0 "[ . 1 . 2]" 1
1400 2 11 GLU HA 2 14 ARG H 2.650 . 3.500 3.438 3.248 3.584 0.084 18 0 "[ . 1 . 2]" 1
1401 2 14 ARG H 2 14 ARG HB3 2.650 . 3.500 2.824 2.431 3.546 0.046 8 0 "[ . 1 . 2]" 1
1402 2 14 ARG H 2 14 ARG HA 2.650 . 3.500 2.872 2.839 2.910 . 0 0 "[ . 1 . 2]" 1
1403 2 14 ARG HA 2 14 ARG HB3 2.650 . 3.500 2.920 2.499 3.018 . 0 0 "[ . 1 . 2]" 1
1404 2 14 ARG HA 2 14 ARG HG3 2.650 . 3.500 3.260 2.310 3.641 0.141 9 0 "[ . 1 . 2]" 1
1405 2 14 ARG HA 2 14 ARG HG2 2.650 . 3.500 2.683 2.308 3.643 0.143 3 0 "[ . 1 . 2]" 1
1406 2 14 ARG HA 2 17 ASN HB2 3.150 . 4.500 2.941 2.105 4.566 0.066 8 0 "[ . 1 . 2]" 1
1407 2 14 ARG HD3 2 14 ARG HG3 2.650 . 3.500 2.865 2.441 2.993 . 0 0 "[ . 1 . 2]" 1
1408 2 14 ARG HB3 2 14 ARG HD3 2.650 . 3.500 2.666 2.149 3.609 0.109 19 0 "[ . 1 . 2]" 1
1409 2 14 ARG HD3 2 14 ARG HG2 2.650 . 3.500 2.562 2.316 2.992 . 0 0 "[ . 1 . 2]" 1
1410 2 14 ARG HB2 2 14 ARG HD3 2.650 . 3.500 3.233 2.247 3.631 0.131 15 0 "[ . 1 . 2]" 1
1411 2 14 ARG HB3 2 14 ARG HD2 2.650 . 3.500 2.967 2.325 3.633 0.133 8 0 "[ . 1 . 2]" 1
1412 2 14 ARG HA 2 14 ARG HD3 3.150 . 4.500 3.440 1.840 4.567 0.067 8 0 "[ . 1 . 2]" 1
1413 2 14 ARG HB3 2 14 ARG HG2 2.650 . 3.500 2.775 2.382 3.051 . 0 0 "[ . 1 . 2]" 1
1414 2 14 ARG HD2 2 14 ARG HE 2.650 . 3.500 2.720 2.423 2.940 . 0 0 "[ . 1 . 2]" 1
1415 2 12 LEU HA 2 15 LEU H 2.900 . 4.000 3.487 3.115 3.903 . 0 0 "[ . 1 . 2]" 1
1416 2 14 ARG HB3 2 15 LEU H 2.650 . 3.500 2.618 2.197 3.553 0.053 8 0 "[ . 1 . 2]" 1
1417 2 14 ARG HB2 2 15 LEU H 2.650 . 3.500 3.412 2.439 3.615 0.115 19 0 "[ . 1 . 2]" 1
1418 2 14 ARG H 2 15 LEU H 2.650 . 3.500 2.541 2.376 2.675 . 0 0 "[ . 1 . 2]" 1
1419 2 14 ARG HA 2 15 LEU H 2.650 . 3.500 3.491 3.445 3.534 0.034 1 0 "[ . 1 . 2]" 1
1420 2 15 LEU H 2 15 LEU MD2 3.150 . 4.500 3.401 3.229 3.615 . 0 0 "[ . 1 . 2]" 1
1421 2 15 LEU H 2 15 LEU MD1 3.150 . 4.500 3.625 3.486 3.748 . 0 0 "[ . 1 . 2]" 1
1422 2 15 LEU H 2 16 LYS H 2.300 . 2.800 2.640 2.532 2.747 . 0 0 "[ . 1 . 2]" 1
1423 2 15 LEU H 2 15 LEU HG 2.650 . 3.500 2.350 2.226 2.469 . 0 0 "[ . 1 . 2]" 1
1424 2 15 LEU H 2 15 LEU HB2 2.650 . 3.500 2.494 2.389 2.622 . 0 0 "[ . 1 . 2]" 1
1425 2 15 LEU H 2 15 LEU HA 2.650 . 3.500 2.831 2.799 2.859 . 0 0 "[ . 1 . 2]" 1
1426 2 15 LEU HA 2 15 LEU MD2 3.150 . 4.500 2.091 2.020 2.143 . 0 0 "[ . 1 . 2]" 1
1427 2 15 LEU HA 2 15 LEU MD1 3.750 . 5.700 3.881 3.838 3.908 . 0 0 "[ . 1 . 2]" 1
1428 2 15 LEU HA 2 15 LEU HB2 2.650 . 3.500 3.018 3.001 3.028 . 0 0 "[ . 1 . 2]" 1
1429 2 15 LEU HA 2 18 GLU HB3 3.150 . 4.500 2.425 2.139 2.949 . 0 0 "[ . 1 . 2]" 1
1430 2 15 LEU HA 2 15 LEU HB3 2.650 . 3.500 2.492 2.461 2.535 . 0 0 "[ . 1 . 2]" 1
1431 2 15 LEU HA 2 18 GLU HB2 2.300 . 2.800 2.832 2.803 2.911 0.111 4 0 "[ . 1 . 2]" 1
1432 2 15 LEU HB2 2 15 LEU MD1 3.150 . 4.500 2.301 2.252 2.341 . 0 0 "[ . 1 . 2]" 1
1433 2 15 LEU HB3 2 15 LEU MD1 3.150 . 4.500 2.384 2.350 2.443 . 0 0 "[ . 1 . 2]" 1
1434 1 42 TYR QD 2 15 LEU MD2 3.750 . 5.700 4.313 3.308 5.618 . 0 0 "[ . 1 . 2]" 1
1435 1 47 PHE HZ 2 15 LEU MD1 3.150 . 4.500 2.817 2.303 3.356 . 0 0 "[ . 1 . 2]" 1
1436 1 47 PHE QD 2 15 LEU MD1 3.750 . 5.700 4.545 3.830 5.336 . 0 0 "[ . 1 . 2]" 1
1437 1 47 PHE QE 2 15 LEU MD1 3.150 . 4.500 2.864 2.142 3.701 . 0 0 "[ . 1 . 2]" 1
1438 1 41 GLY HA2 2 15 LEU MD1 3.150 . 4.500 4.065 3.597 4.510 0.010 7 0 "[ . 1 . 2]" 1
1439 2 11 GLU QG 2 15 LEU MD1 2.650 . 3.500 2.478 2.152 3.063 . 0 0 "[ . 1 . 2]" 1
1440 1 42 TYR QD 2 15 LEU MD1 3.750 . 5.700 3.197 2.511 4.078 . 0 0 "[ . 1 . 2]" 1
1441 2 16 LYS H 2 18 GLU H 3.150 . 4.500 3.910 3.805 3.984 . 0 0 "[ . 1 . 2]" 1
1442 2 16 LYS H 2 16 LYS HG2 3.150 . 4.500 4.496 4.373 4.539 0.039 13 0 "[ . 1 . 2]" 1
1443 2 16 LYS H 2 16 LYS HG3 3.150 . 4.500 4.309 4.193 4.451 . 0 0 "[ . 1 . 2]" 1
1444 2 16 LYS H 2 16 LYS HB3 2.650 . 3.500 2.585 2.357 2.756 . 0 0 "[ . 1 . 2]" 1
1445 2 16 LYS H 2 16 LYS HA 2.650 . 3.500 2.797 2.770 2.831 . 0 0 "[ . 1 . 2]" 1
1446 2 13 GLN HA 2 16 LYS H 2.650 . 3.500 3.470 3.165 3.551 0.051 1 0 "[ . 1 . 2]" 1
1447 2 15 LEU HA 2 16 LYS H 2.650 . 3.500 3.504 3.473 3.533 0.033 6 0 "[ . 1 . 2]" 1
1448 2 16 LYS HA 2 16 LYS HG2 3.150 . 4.500 3.083 2.869 3.235 . 0 0 "[ . 1 . 2]" 1
1449 2 16 LYS HA 2 16 LYS HG3 2.650 . 3.500 2.503 2.399 2.638 . 0 0 "[ . 1 . 2]" 1
1450 2 16 LYS HA 2 16 LYS HB3 2.650 . 3.500 3.015 2.994 3.037 . 0 0 "[ . 1 . 2]" 1
1451 2 16 LYS HA 2 19 ARG HB2 2.650 . 3.500 2.978 2.772 3.258 . 0 0 "[ . 1 . 2]" 1
1452 2 13 GLN HA 2 16 LYS HB2 2.650 . 3.500 3.029 2.494 3.493 . 0 0 "[ . 1 . 2]" 1
1453 2 16 LYS HB3 2 16 LYS HE3 2.650 . 3.500 3.345 3.073 3.504 0.004 19 0 "[ . 1 . 2]" 1
1454 2 16 LYS HB3 2 16 LYS HG2 2.300 . 2.800 2.445 2.353 2.543 . 0 0 "[ . 1 . 2]" 1
1455 2 16 LYS HB2 2 16 LYS HE2 2.650 . 3.500 3.242 2.973 3.477 . 0 0 "[ . 1 . 2]" 1
1456 2 16 LYS HE3 2 16 LYS HG2 3.150 . 4.500 2.438 2.347 2.581 . 0 0 "[ . 1 . 2]" 1
1457 2 16 LYS HB3 2 16 LYS HE2 3.150 . 4.500 2.231 1.996 2.410 . 0 0 "[ . 1 . 2]" 1
1458 2 16 LYS HA 2 17 ASN H 2.650 . 3.500 3.496 3.462 3.530 0.030 8 0 "[ . 1 . 2]" 1
1459 2 17 ASN H 2 17 ASN HD22 3.150 . 4.500 4.201 3.726 4.524 0.024 8 0 "[ . 1 . 2]" 1
1460 2 16 LYS H 2 17 ASN H 2.650 . 3.500 2.611 2.485 2.804 . 0 0 "[ . 1 . 2]" 1
1461 2 16 LYS HG2 2 17 ASN H 3.150 . 4.500 3.834 3.374 4.132 . 0 0 "[ . 1 . 2]" 1
1462 2 16 LYS HB3 2 17 ASN H 2.650 . 3.500 2.257 1.963 2.497 . 0 0 "[ . 1 . 2]" 1
1463 2 17 ASN H 2 17 ASN HA 2.650 . 3.500 2.819 2.776 2.860 . 0 0 "[ . 1 . 2]" 1
1464 2 17 ASN H 2 17 ASN HB3 2.650 . 3.500 3.095 2.144 3.531 0.031 11 0 "[ . 1 . 2]" 1
1465 2 14 ARG HA 2 17 ASN H 2.650 . 3.500 3.371 3.092 3.547 0.047 1 0 "[ . 1 . 2]" 1
1466 2 17 ASN HA 2 20 HIS HB2 3.150 . 4.500 2.189 2.025 2.400 . 0 0 "[ . 1 . 2]" 1
1467 2 17 ASN HA 2 20 HIS HB3 2.650 . 3.500 3.607 3.527 3.656 0.156 18 0 "[ . 1 . 2]" 1
1468 2 17 ASN HA 2 17 ASN HB2 2.650 . 3.500 2.798 2.380 2.999 . 0 0 "[ . 1 . 2]" 1
1469 2 14 ARG HA 2 17 ASN HB3 2.650 . 3.500 3.561 3.383 3.658 0.158 1 0 "[ . 1 . 2]" 1
1470 2 17 ASN HA 2 17 ASN HB3 2.650 . 3.500 2.691 2.526 2.805 . 0 0 "[ . 1 . 2]" 1
1471 2 14 ARG HA 2 17 ASN HD21 3.150 . 4.500 2.829 1.955 4.413 . 0 0 "[ . 1 . 2]" 1
1472 2 13 GLN HB2 2 17 ASN HD21 3.750 . 5.700 5.557 4.707 5.821 0.121 16 0 "[ . 1 . 2]" 1
1473 2 13 GLN HG3 2 17 ASN HD21 3.150 . 4.500 3.808 2.683 4.529 0.029 1 0 "[ . 1 . 2]" 1
1474 2 17 ASN HB2 2 17 ASN HD21 2.650 . 3.500 2.535 2.175 2.915 . 0 0 "[ . 1 . 2]" 1
1475 2 18 GLU H 2 18 GLU HG3 3.150 . 4.500 4.443 4.353 4.498 . 0 0 "[ . 1 . 2]" 1
1476 2 15 LEU HA 2 18 GLU H 2.900 . 4.000 3.292 3.081 3.646 . 0 0 "[ . 1 . 2]" 1
1477 2 18 GLU H 2 18 GLU HA 2.650 . 3.500 2.803 2.766 2.842 . 0 0 "[ . 1 . 2]" 1
1478 2 17 ASN HB3 2 18 GLU H 2.650 . 3.500 3.394 3.146 3.640 0.140 15 0 "[ . 1 . 2]" 1
1479 2 18 GLU H 2 20 HIS H 3.150 . 4.500 3.863 3.658 4.006 . 0 0 "[ . 1 . 2]" 1
1480 2 18 GLU H 2 18 GLU HB3 2.650 . 3.500 2.458 2.345 2.771 . 0 0 "[ . 1 . 2]" 1
1481 2 17 ASN H 2 18 GLU H 2.300 . 2.800 2.644 2.422 2.804 0.004 17 0 "[ . 1 . 2]" 1
1482 2 17 ASN HA 2 18 GLU H 2.650 . 3.500 3.476 3.367 3.523 0.023 17 0 "[ . 1 . 2]" 1
1483 2 18 GLU HA 2 18 GLU HG3 2.650 . 3.500 2.619 2.453 2.785 . 0 0 "[ . 1 . 2]" 1
1484 2 18 GLU HA 2 21 GLU HB2 2.300 . 2.800 2.843 2.786 2.885 0.085 20 0 "[ . 1 . 2]" 1
1485 2 18 GLU HA 2 21 GLU HB3 3.150 . 4.500 4.395 4.097 4.516 0.016 5 0 "[ . 1 . 2]" 1
1486 2 18 GLU HA 2 18 GLU HB3 2.650 . 3.500 3.017 3.009 3.026 . 0 0 "[ . 1 . 2]" 1
1487 2 18 GLU HG2 2 22 GLU HG2 2.650 . 3.500 2.950 2.528 3.598 0.098 16 0 "[ . 1 . 2]" 1
1488 2 18 GLU HG3 2 19 ARG H 2.900 . 4.000 4.095 3.668 4.142 0.142 2 0 "[ . 1 . 2]" 1
1489 2 18 GLU HA 2 19 ARG H 2.650 . 3.500 3.463 3.432 3.537 0.037 16 0 "[ . 1 . 2]" 1
1490 2 18 GLU H 2 19 ARG H 2.300 . 2.800 2.829 2.801 2.870 0.070 4 0 "[ . 1 . 2]" 1
1491 2 19 ARG H 2 19 ARG HG2 2.650 . 3.500 3.484 3.353 3.646 0.146 4 0 "[ . 1 . 2]" 1
1492 2 19 ARG H 2 19 ARG HB2 2.650 . 3.500 2.567 2.352 2.686 . 0 0 "[ . 1 . 2]" 1
1493 2 19 ARG H 2 20 HIS H 2.650 . 3.500 2.767 2.686 2.863 . 0 0 "[ . 1 . 2]" 1
1494 2 19 ARG H 2 19 ARG HA 2.300 . 2.800 2.789 2.742 2.816 0.016 9 0 "[ . 1 . 2]" 1
1495 2 19 ARG HA 2 19 ARG HB2 2.650 . 3.500 2.992 2.961 3.016 . 0 0 "[ . 1 . 2]" 1
1496 2 19 ARG HB2 2 19 ARG HG2 2.650 . 3.500 2.996 2.980 3.014 . 0 0 "[ . 1 . 2]" 1
1497 2 19 ARG HA 2 19 ARG HG2 2.650 . 3.500 2.486 2.272 2.557 . 0 0 "[ . 1 . 2]" 1
1498 2 19 ARG HD2 2 19 ARG HG3 2.650 . 3.500 3.007 2.947 3.035 . 0 0 "[ . 1 . 2]" 1
1499 2 19 ARG HD2 2 19 ARG HG2 2.650 . 3.500 2.496 2.439 2.710 . 0 0 "[ . 1 . 2]" 1
1500 2 19 ARG HB2 2 19 ARG HD2 2.650 . 3.500 2.949 2.545 3.124 . 0 0 "[ . 1 . 2]" 1
1501 2 19 ARG HE 2 20 HIS HE1 3.750 . 5.700 5.624 4.488 5.827 0.127 6 0 "[ . 1 . 2]" 1
1502 1 67 TRP HZ2 2 19 ARG HE 2.650 . 3.500 3.366 3.189 3.611 0.111 17 0 "[ . 1 . 2]" 1
1503 1 77 TRP HD1 2 19 ARG HE 3.750 . 5.700 5.764 5.544 5.835 0.135 16 0 "[ . 1 . 2]" 1
1504 2 19 ARG HD3 2 19 ARG HE 2.650 . 3.500 2.478 2.312 2.902 . 0 0 "[ . 1 . 2]" 1
1505 2 16 LYS HB2 2 19 ARG HE 3.150 . 4.500 4.372 3.961 4.593 0.093 18 0 "[ . 1 . 2]" 1
1506 2 16 LYS HG2 2 19 ARG HE 3.750 . 5.700 5.082 4.699 5.714 0.014 20 0 "[ . 1 . 2]" 1
1507 2 16 LYS HA 2 19 ARG HE 2.650 . 3.500 2.486 2.155 2.898 . 0 0 "[ . 1 . 2]" 1
1508 2 19 ARG HB2 2 20 HIS H 2.650 . 3.500 2.727 2.486 3.197 . 0 0 "[ . 1 . 2]" 1
1509 1 77 TRP HE1 2 20 HIS H 3.750 . 5.700 4.466 4.172 4.812 . 0 0 "[ . 1 . 2]" 1
1510 2 20 HIS H 2 20 HIS HB3 2.650 . 3.500 3.530 3.508 3.547 0.047 15 0 "[ . 1 . 2]" 1
1511 2 20 HIS H 2 20 HIS HA 2.650 . 3.500 2.818 2.783 2.858 . 0 0 "[ . 1 . 2]" 1
1512 2 20 HIS H 2 20 HIS HB2 2.650 . 3.500 2.197 2.151 2.243 . 0 0 "[ . 1 . 2]" 1
1513 2 18 GLU HA 2 20 HIS H 3.150 . 4.500 4.246 4.027 4.419 . 0 0 "[ . 1 . 2]" 1
1514 2 17 ASN HA 2 20 HIS H 2.650 . 3.500 3.304 3.080 3.511 0.011 3 0 "[ . 1 . 2]" 1
1515 2 19 ARG HG3 2 20 HIS H 3.750 . 5.700 4.417 4.266 4.639 . 0 0 "[ . 1 . 2]" 1
1516 1 77 TRP HZ2 2 20 HIS H 3.150 . 4.500 4.477 4.246 4.554 0.054 1 0 "[ . 1 . 2]" 1
1517 2 19 ARG HA 2 20 HIS H 2.650 . 3.500 3.471 3.398 3.510 0.010 14 0 "[ . 1 . 2]" 1
1518 2 20 HIS HA 2 23 ALA MB 3.150 . 4.500 2.673 2.210 3.068 . 0 0 "[ . 1 . 2]" 1
1519 2 20 HIS HA 2 20 HIS HB2 2.650 . 3.500 2.957 2.911 2.975 . 0 0 "[ . 1 . 2]" 1
1520 2 20 HIS HA 2 20 HIS HB3 2.650 . 3.500 2.705 2.650 2.762 . 0 0 "[ . 1 . 2]" 1
1521 2 19 ARG H 2 21 GLU H 3.150 . 4.500 4.302 4.147 4.451 . 0 0 "[ . 1 . 2]" 1
1522 2 21 GLU H 2 21 GLU HG3 2.900 . 4.000 3.512 2.248 4.091 0.091 4 0 "[ . 1 . 2]" 1
1523 2 21 GLU H 2 21 GLU HB2 2.300 . 2.800 2.305 2.023 2.499 . 0 0 "[ . 1 . 2]" 1
1524 2 20 HIS HB2 2 21 GLU H 2.650 . 3.500 2.868 2.759 2.984 . 0 0 "[ . 1 . 2]" 1
1525 2 20 HIS HB3 2 21 GLU H 2.650 . 3.500 3.500 3.415 3.548 0.048 1 0 "[ . 1 . 2]" 1
1526 2 18 GLU HA 2 21 GLU H 2.650 . 3.500 3.519 3.364 3.568 0.068 3 0 "[ . 1 . 2]" 1
1527 2 20 HIS H 2 21 GLU H 2.300 . 2.800 2.581 2.408 2.714 . 0 0 "[ . 1 . 2]" 1
1528 2 20 HIS HA 2 21 GLU H 2.650 . 3.500 3.512 3.483 3.547 0.047 14 0 "[ . 1 . 2]" 1
1529 2 21 GLU H 2 21 GLU HA 2.300 . 2.800 2.798 2.765 2.830 0.030 16 0 "[ . 1 . 2]" 1
1530 2 21 GLU HA 2 24 GLU HB3 3.150 . 4.500 4.347 2.605 4.539 0.039 6 0 "[ . 1 . 2]" 1
1531 2 21 GLU HA 2 24 GLU HB2 2.650 . 3.500 2.883 2.623 3.262 . 0 0 "[ . 1 . 2]" 1
1532 2 21 GLU HA 2 21 GLU HG2 2.650 . 3.500 3.186 2.452 3.587 0.087 6 0 "[ . 1 . 2]" 1
1533 2 21 GLU HA 2 21 GLU HB3 2.300 . 2.800 2.616 2.493 2.771 . 0 0 "[ . 1 . 2]" 1
1534 2 21 GLU HG3 2 25 LEU MD1 3.150 . 4.500 4.337 2.871 4.597 0.097 1 0 "[ . 1 . 2]" 1
1535 2 21 GLU HB3 2 21 GLU HG3 2.300 . 2.800 2.551 2.355 2.936 0.136 10 0 "[ . 1 . 2]" 1
1536 2 21 GLU H 2 22 GLU H 2.300 . 2.800 2.684 2.565 2.789 . 0 0 "[ . 1 . 2]" 1
1537 2 19 ARG HA 2 22 GLU H 2.650 . 3.500 3.319 2.990 3.541 0.041 13 0 "[ . 1 . 2]" 1
1538 2 21 GLU HA 2 22 GLU H 2.650 . 3.500 3.516 3.493 3.526 0.026 5 0 "[ . 1 . 2]" 1
1539 2 22 GLU H 2 22 GLU HG3 3.150 . 4.500 3.634 3.433 3.750 . 0 0 "[ . 1 . 2]" 1
1540 2 22 GLU H 2 23 ALA MB 3.750 . 5.700 4.522 4.317 4.646 . 0 0 "[ . 1 . 2]" 1
1541 2 22 GLU H 2 25 LEU MD1 3.750 . 5.700 4.578 3.473 5.792 0.092 6 0 "[ . 1 . 2]" 1
1542 2 22 GLU H 2 22 GLU HG2 2.650 . 3.500 2.226 1.988 2.372 . 0 0 "[ . 1 . 2]" 1
1543 2 22 GLU H 2 22 GLU HA 2.300 . 2.800 2.786 2.735 2.816 0.016 13 0 "[ . 1 . 2]" 1
1544 2 22 GLU H 2 23 ALA H 2.650 . 3.500 2.845 2.694 2.956 . 0 0 "[ . 1 . 2]" 1
1545 2 22 GLU H 2 22 GLU HB2 2.650 . 3.500 2.546 2.439 2.646 . 0 0 "[ . 1 . 2]" 1
1546 2 22 GLU HA 2 22 GLU HB3 2.300 . 2.800 2.491 2.431 2.543 . 0 0 "[ . 1 . 2]" 1
1547 2 22 GLU HA 2 22 GLU HG2 2.650 . 3.500 3.039 2.863 3.156 . 0 0 "[ . 1 . 2]" 1
1548 2 22 GLU HA 2 22 GLU HG3 2.900 . 4.000 3.765 3.668 3.850 . 0 0 "[ . 1 . 2]" 1
1549 2 22 GLU HA 2 25 LEU HB3 2.650 . 3.500 3.347 2.388 3.605 0.105 10 0 "[ . 1 . 2]" 1
1550 2 22 GLU HA 2 25 LEU HB2 3.750 . 5.700 2.564 2.169 3.539 . 0 0 "[ . 1 . 2]" 1
1551 2 22 GLU HB2 2 22 GLU HG2 2.650 . 3.500 2.467 2.417 2.611 . 0 0 "[ . 1 . 2]" 1
1552 2 22 GLU HA 2 23 ALA H 2.650 . 3.500 3.516 3.477 3.542 0.042 16 0 "[ . 1 . 2]" 1
1553 1 77 TRP HZ2 2 23 ALA H 3.150 . 4.500 3.974 3.595 4.300 . 0 0 "[ . 1 . 2]" 1
1554 2 20 HIS HA 2 23 ALA H 2.650 . 3.500 3.272 2.853 3.580 0.080 16 0 "[ . 1 . 2]" 1
1555 2 22 GLU HG2 2 23 ALA H 3.150 . 4.500 4.319 4.110 4.507 0.007 7 0 "[ . 1 . 2]" 1
1556 2 22 GLU HB3 2 23 ALA H 2.650 . 3.500 3.489 3.374 3.577 0.077 4 0 "[ . 1 . 2]" 1
1557 2 23 ALA H 2 23 ALA MB 2.650 . 3.500 2.255 2.224 2.277 . 0 0 "[ . 1 . 2]" 1
1558 2 23 ALA H 2 23 ALA HA 2.300 . 2.800 2.816 2.780 2.835 0.035 6 0 "[ . 1 . 2]" 1
1559 2 23 ALA HA 2 26 GLU HB3 2.650 . 3.500 2.919 2.414 3.576 0.076 8 0 "[ . 1 . 2]" 1
1560 2 23 ALA HA 2 26 GLU QG 3.150 . 4.500 4.085 2.763 4.561 0.061 18 0 "[ . 1 . 2]" 1
1561 1 77 TRP HZ2 2 23 ALA MB 3.150 . 4.500 2.273 2.006 2.632 . 0 0 "[ . 1 . 2]" 1
1562 2 20 HIS HA 2 24 GLU H 3.150 . 4.500 4.057 3.621 4.488 . 0 0 "[ . 1 . 2]" 1
1563 2 24 GLU H 2 24 GLU QG 2.650 . 3.500 2.624 2.027 3.713 0.213 16 0 "[ . 1 . 2]" 1
1564 2 24 GLU H 2 24 GLU HA 2.300 . 2.800 2.817 2.760 2.841 0.041 6 0 "[ . 1 . 2]" 1
1565 2 21 GLU HA 2 24 GLU H 2.650 . 3.500 3.467 3.051 3.589 0.089 6 0 "[ . 1 . 2]" 1
1566 2 24 GLU H 2 24 GLU HB3 2.650 . 3.500 3.468 2.310 3.561 0.061 19 0 "[ . 1 . 2]" 1
1567 2 24 GLU H 2 24 GLU HB2 2.650 . 3.500 2.310 2.138 2.600 . 0 0 "[ . 1 . 2]" 1
1568 2 23 ALA H 2 24 GLU H 2.300 . 2.800 2.676 2.573 2.746 . 0 0 "[ . 1 . 2]" 1
1569 2 22 GLU H 2 24 GLU H 3.150 . 4.500 4.306 4.171 4.507 0.007 11 0 "[ . 1 . 2]" 1
1570 2 23 ALA HA 2 24 GLU H 2.650 . 3.500 3.530 3.509 3.549 0.049 13 0 "[ . 1 . 2]" 1
1571 2 23 ALA MB 2 24 GLU H 3.150 . 4.500 2.547 2.314 2.837 . 0 0 "[ . 1 . 2]" 1
1572 2 24 GLU H 2 25 LEU MD2 3.750 . 5.700 5.630 5.435 5.749 0.049 18 0 "[ . 1 . 2]" 1
1573 2 24 GLU HA 2 27 ARG QD 3.150 . 4.500 3.470 2.530 4.562 0.062 3 0 "[ . 1 . 2]" 1
1574 2 24 GLU HA 2 24 GLU QG 2.650 . 3.500 2.495 2.205 3.137 . 0 0 "[ . 1 . 2]" 1
1575 2 24 GLU HA 2 24 GLU HB2 2.650 . 3.500 2.966 2.504 3.017 . 0 0 "[ . 1 . 2]" 1
1576 2 24 GLU HA 2 27 ARG HB2 2.650 . 3.500 3.206 2.815 3.545 0.045 9 0 "[ . 1 . 2]" 1
1577 2 25 LEU H 2 25 LEU HA 2.300 . 2.800 2.802 2.785 2.823 0.023 6 0 "[ . 1 . 2]" 1
1578 2 25 LEU H 2 25 LEU HB3 2.650 . 3.500 3.262 2.572 3.517 0.017 8 0 "[ . 1 . 2]" 1
1579 2 25 LEU H 2 25 LEU HB2 2.650 . 3.500 2.139 2.019 2.251 . 0 0 "[ . 1 . 2]" 1
1580 2 24 GLU HB3 2 25 LEU H 2.650 . 3.500 3.472 2.337 3.596 0.096 6 0 "[ . 1 . 2]" 1
1581 2 24 GLU HA 2 25 LEU H 2.650 . 3.500 3.460 3.385 3.504 0.004 16 0 "[ . 1 . 2]" 1
1582 2 24 GLU H 2 25 LEU H 2.300 . 2.800 2.471 2.257 2.648 . 0 0 "[ . 1 . 2]" 1
1583 2 25 LEU H 2 25 LEU MD2 3.150 . 4.500 3.911 3.441 4.135 . 0 0 "[ . 1 . 2]" 1
1584 2 24 GLU QG 2 25 LEU H 3.750 . 5.700 4.121 3.585 4.672 . 0 0 "[ . 1 . 2]" 1
1585 2 25 LEU HA 2 28 LEU MD1 3.750 . 5.700 4.535 3.012 5.708 0.008 18 0 "[ . 1 . 2]" 1
1586 2 25 LEU HA 2 25 LEU HB3 2.650 . 3.500 2.807 2.601 3.008 . 0 0 "[ . 1 . 2]" 1
1587 2 25 LEU HB2 2 25 LEU MD2 2.650 . 3.500 2.450 2.318 3.199 . 0 0 "[ . 1 . 2]" 1
1588 2 25 LEU HA 2 25 LEU HB2 2.650 . 3.500 2.849 2.549 2.977 . 0 0 "[ . 1 . 2]" 1
1589 2 25 LEU MD1 2 26 GLU H 3.750 . 5.700 4.439 4.271 4.698 . 0 0 "[ . 1 . 2]" 1
1590 2 25 LEU HA 2 26 GLU H 2.650 . 3.500 3.512 3.479 3.533 0.033 7 0 "[ . 1 . 2]" 1
1591 2 25 LEU HB2 2 26 GLU H 2.650 . 3.500 3.007 2.552 3.545 0.045 14 0 "[ . 1 . 2]" 1
1592 2 25 LEU H 2 26 GLU H 2.650 . 3.500 2.661 2.509 2.772 . 0 0 "[ . 1 . 2]" 1
1593 2 26 GLU H 2 26 GLU HB3 2.650 . 3.500 2.742 2.441 3.482 . 0 0 "[ . 1 . 2]" 1
1594 2 26 GLU H 2 26 GLU QG 2.900 . 4.000 3.825 2.637 4.026 0.026 2 0 "[ . 1 . 2]" 1
1595 2 23 ALA HA 2 26 GLU H 2.650 . 3.500 3.394 3.209 3.548 0.048 11 0 "[ . 1 . 2]" 1
1596 2 26 GLU H 2 26 GLU HA 2.300 . 2.800 2.811 2.770 2.834 0.034 5 0 "[ . 1 . 2]" 1
1597 2 25 LEU HB3 2 26 GLU H 2.650 . 3.500 3.033 2.122 3.527 0.027 20 0 "[ . 1 . 2]" 1
1598 2 26 GLU HA 2 26 GLU HB2 2.300 . 2.800 2.596 2.426 2.901 0.101 8 0 "[ . 1 . 2]" 1
1599 2 26 GLU HA 2 29 LYS HB3 3.150 . 4.500 2.909 2.096 4.543 0.043 9 0 "[ . 1 . 2]" 1
1600 2 26 GLU HA 2 29 LYS QD 3.750 . 5.700 3.665 2.333 5.731 0.031 18 0 "[ . 1 . 2]" 1
1601 2 26 GLU HA 2 26 GLU QG 2.650 . 3.500 2.618 2.366 2.966 . 0 0 "[ . 1 . 2]" 1
1602 2 23 ALA HA 2 26 GLU HB2 3.150 . 4.500 3.061 2.188 3.674 . 0 0 "[ . 1 . 2]" 1
1603 2 27 ARG H 2 27 ARG QG 3.150 . 4.500 3.957 3.900 3.998 . 0 0 "[ . 1 . 2]" 1
1604 2 27 ARG H 2 27 ARG HA 2.300 . 2.800 2.809 2.784 2.842 0.042 14 0 "[ . 1 . 2]" 1
1605 2 26 GLU HB3 2 27 ARG H 2.650 . 3.500 2.622 2.276 3.149 . 0 0 "[ . 1 . 2]" 1
1606 2 24 GLU HA 2 27 ARG H 2.650 . 3.500 3.255 2.816 3.536 0.036 16 0 "[ . 1 . 2]" 1
1607 2 27 ARG H 2 27 ARG HB3 2.300 . 2.800 2.474 2.273 2.648 . 0 0 "[ . 1 . 2]" 1
1608 2 27 ARG H 2 27 ARG QD 3.750 . 5.700 4.462 4.114 4.765 . 0 0 "[ . 1 . 2]" 1
1609 2 26 GLU HA 2 27 ARG H 2.650 . 3.500 3.500 3.475 3.520 0.020 9 0 "[ . 1 . 2]" 1
1610 2 26 GLU H 2 27 ARG H 2.300 . 2.800 2.584 2.429 2.741 . 0 0 "[ . 1 . 2]" 1
1611 2 27 ARG HA 2 27 ARG HB2 2.650 . 3.500 2.463 2.390 2.615 . 0 0 "[ . 1 . 2]" 1
1612 2 27 ARG HA 2 27 ARG HB3 2.650 . 3.500 3.018 2.999 3.037 . 0 0 "[ . 1 . 2]" 1
1613 2 27 ARG HA 2 27 ARG QD 3.750 . 5.700 4.054 3.251 4.273 . 0 0 "[ . 1 . 2]" 1
1614 2 27 ARG HB3 2 27 ARG QD 3.150 . 4.500 2.429 2.233 2.865 . 0 0 "[ . 1 . 2]" 1
1615 2 27 ARG HB2 2 27 ARG QD 3.150 . 4.500 2.657 2.289 3.480 . 0 0 "[ . 1 . 2]" 1
1616 2 27 ARG QD 2 27 ARG HE 2.650 . 3.500 2.412 2.261 2.476 . 0 0 "[ . 1 . 2]" 1
1617 2 27 ARG HE 2 27 ARG QG 3.150 . 4.500 2.374 2.158 2.693 . 0 0 "[ . 1 . 2]" 1
1618 2 28 LEU H 2 28 LEU MD2 3.150 . 4.500 4.159 3.993 4.251 . 0 0 "[ . 1 . 2]" 1
1619 2 27 ARG HA 2 28 LEU H 2.650 . 3.500 3.499 3.390 3.530 0.030 5 0 "[ . 1 . 2]" 1
1620 2 28 LEU H 2 28 LEU HB2 2.650 . 3.500 2.509 2.371 2.764 . 0 0 "[ . 1 . 2]" 1
1621 2 28 LEU H 2 28 LEU HA 2.300 . 2.800 2.818 2.762 2.878 0.078 11 0 "[ . 1 . 2]" 1
1622 2 25 LEU HA 2 28 LEU H 2.650 . 3.500 3.344 3.064 3.531 0.031 18 0 "[ . 1 . 2]" 1
1623 2 28 LEU H 2 28 LEU MD1 3.150 . 4.500 4.140 3.977 4.309 . 0 0 "[ . 1 . 2]" 1
1624 2 28 LEU H 2 28 LEU HB3 2.300 . 2.800 2.442 2.372 2.606 . 0 0 "[ . 1 . 2]" 1
1625 2 28 LEU HA 2 28 LEU HB2 2.300 . 2.800 2.454 2.405 2.533 . 0 0 "[ . 1 . 2]" 1
1626 2 28 LEU HA 2 28 LEU MD2 3.150 . 4.500 3.615 2.140 3.920 . 0 0 "[ . 1 . 2]" 1
1627 2 28 LEU HA 2 28 LEU HB3 2.650 . 3.500 3.017 2.991 3.037 . 0 0 "[ . 1 . 2]" 1
1628 2 25 LEU HA 2 28 LEU HB3 2.650 . 3.500 2.538 2.232 3.081 . 0 0 "[ . 1 . 2]" 1
1629 2 25 LEU HA 2 28 LEU HB2 3.750 . 5.700 3.340 2.793 4.450 . 0 0 "[ . 1 . 2]" 1
1630 2 28 LEU HB2 2 28 LEU MD2 2.650 . 3.500 2.541 2.296 3.183 . 0 0 "[ . 1 . 2]" 1
1631 2 26 GLU HA 2 29 LYS H 2.650 . 3.500 3.396 2.835 3.647 0.147 18 0 "[ . 1 . 2]" 1
1632 2 28 LEU HB3 2 29 LYS H 2.650 . 3.500 2.728 2.448 3.160 . 0 0 "[ . 1 . 2]" 1
1633 2 28 LEU MD2 2 29 LYS H 3.750 . 5.700 4.194 3.074 4.636 . 0 0 "[ . 1 . 2]" 1
1634 2 29 LYS H 2 30 SER HG 3.150 . 4.500 4.238 3.696 4.551 0.051 9 0 "[ . 1 . 2]" 1
1635 2 28 LEU H 2 29 LYS H 2.300 . 2.800 2.569 2.193 2.754 . 0 0 "[ . 1 . 2]" 1
1636 2 29 LYS H 2 29 LYS QG 3.150 . 4.500 3.636 2.135 4.039 . 0 0 "[ . 1 . 2]" 1
1637 2 29 LYS H 2 29 LYS HB3 2.300 . 2.800 2.506 2.212 2.756 . 0 0 "[ . 1 . 2]" 1
1638 2 29 LYS H 2 29 LYS HA 2.300 . 2.800 2.815 2.772 2.858 0.058 9 0 "[ . 1 . 2]" 1
1639 2 29 LYS HB2 2 29 LYS QG 2.650 . 3.500 2.310 2.148 2.409 . 0 0 "[ . 1 . 2]" 1
1640 2 29 LYS HA 2 29 LYS HB2 2.650 . 3.500 2.466 2.359 2.581 . 0 0 "[ . 1 . 2]" 1
1641 2 29 LYS HB3 2 29 LYS QG 2.650 . 3.500 2.331 2.157 2.445 . 0 0 "[ . 1 . 2]" 1
1642 2 29 LYS HA 2 29 LYS HB3 2.650 . 3.500 2.912 2.443 3.035 . 0 0 "[ . 1 . 2]" 1
1643 2 30 SER H 2 30 SER HG 2.650 . 3.500 2.450 1.921 3.075 . 0 0 "[ . 1 . 2]" 1
1644 2 30 SER H 2 30 SER HB3 2.900 . 4.000 3.658 2.927 4.049 0.049 4 0 "[ . 1 . 2]" 1
1645 2 30 SER H 2 30 SER HA 2.650 . 3.500 2.624 2.193 2.921 . 0 0 "[ . 1 . 2]" 1
1646 2 29 LYS HA 2 30 SER H 2.650 . 3.500 3.468 3.378 3.539 0.039 12 0 "[ . 1 . 2]" 1
1647 2 29 LYS HB2 2 30 SER H 3.150 . 4.500 3.923 3.660 4.318 . 0 0 "[ . 1 . 2]" 1
1648 2 30 SER HA 2 30 SER HB2 2.650 . 3.500 2.932 2.497 3.050 . 0 0 "[ . 1 . 2]" 1
1649 2 30 SER HA 2 30 SER HB3 2.300 . 2.800 2.419 2.342 2.469 . 0 0 "[ . 1 . 2]" 1
1650 2 31 GLU H 2 31 GLU HA 2.650 . 3.500 2.757 2.139 2.956 . 0 0 "[ . 1 . 2]" 1
1651 2 30 SER HB2 2 31 GLU H 3.150 . 4.500 3.504 2.016 4.375 . 0 0 "[ . 1 . 2]" 1
1652 2 31 GLU H 2 32 TYR H 3.150 . 4.500 3.819 2.408 4.540 0.040 20 0 "[ . 1 . 2]" 1
1653 2 31 GLU H 2 31 GLU QG 2.650 . 3.500 2.719 1.945 3.470 . 0 0 "[ . 1 . 2]" 1
1654 2 31 GLU H 2 31 GLU QB 2.900 . 4.000 2.721 2.311 3.428 . 0 0 "[ . 1 . 2]" 1
1655 2 30 SER H 2 31 GLU H 3.150 . 4.500 3.417 2.324 4.619 0.119 12 0 "[ . 1 . 2]" 1
1656 2 30 SER HA 2 31 GLU H 2.650 . 3.500 2.833 2.130 3.555 0.055 3 0 "[ . 1 . 2]" 1
1657 2 31 GLU HA 2 31 GLU QG 2.650 . 3.500 2.802 2.305 3.531 0.031 12 0 "[ . 1 . 2]" 1
1658 2 31 GLU HA 2 31 GLU QB 2.650 . 3.500 2.336 2.151 2.515 . 0 0 "[ . 1 . 2]" 1
1659 2 32 TYR H 2 32 TYR HA 2.650 . 3.500 2.880 2.769 2.924 . 0 0 "[ . 1 . 2]" 1
1660 2 32 TYR H 2 32 TYR HB3 2.650 . 3.500 3.128 2.466 3.637 0.137 17 0 "[ . 1 . 2]" 1
1661 2 32 TYR H 2 32 TYR HB2 2.650 . 3.500 2.853 2.372 3.582 0.082 2 0 "[ . 1 . 2]" 1
1662 2 31 GLU HB3 2 32 TYR H 3.150 . 4.500 3.660 2.212 4.507 0.007 12 0 "[ . 1 . 2]" 1
1663 2 31 GLU HA 2 32 TYR H 2.650 . 3.500 2.508 1.993 3.546 0.046 17 0 "[ . 1 . 2]" 1
1664 2 31 GLU HB2 2 32 TYR H 3.150 . 4.500 3.727 2.140 4.451 . 0 0 "[ . 1 . 2]" 1
1665 2 32 TYR HA 2 32 TYR HB2 2.650 . 3.500 2.717 2.409 3.025 . 0 0 "[ . 1 . 2]" 1
1666 2 32 TYR HA 2 32 TYR HB3 2.650 . 3.500 2.793 2.401 3.045 . 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 60
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 4.525
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_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 20 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.198 0.044 17 0 "[ . 1 . 2]"
1 71 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.198 0.044 17 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ASP 0.022 0.022 3 0 "[ . 1 . 2]"
2 10 ALA 0.007 0.004 3 0 "[ . 1 . 2]"
2 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLN 0.022 0.022 3 0 "[ . 1 . 2]"
2 14 ARG 0.007 0.004 3 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 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 21 SER O 1 29 CYS H 2.000 . 2.500 1.926 1.808 2.153 . 0 0 "[ . 1 . 2]" 2
2 1 21 SER O 1 29 CYS N 3.000 2.500 3.500 2.844 2.736 3.045 . 0 0 "[ . 1 . 2]" 2
3 1 23 THR H 1 27 LEU O 2.000 . 2.500 1.960 1.820 2.162 . 0 0 "[ . 1 . 2]" 2
4 1 23 THR N 1 27 LEU O 3.000 2.500 3.500 2.833 2.710 3.017 . 0 0 "[ . 1 . 2]" 2
5 1 66 PRO O 1 80 CYS H 2.000 . 2.500 1.913 1.743 2.116 . 0 0 "[ . 1 . 2]" 2
6 1 66 PRO O 1 80 CYS N 3.000 2.500 3.500 2.856 2.701 3.041 . 0 0 "[ . 1 . 2]" 2
7 1 70 THR H 1 76 ARG O 2.000 . 2.500 2.298 1.894 2.544 0.044 17 0 "[ . 1 . 2]" 2
8 1 70 THR N 1 76 ARG O 3.000 2.500 3.500 3.241 2.838 3.517 0.017 17 0 "[ . 1 . 2]" 2
9 1 68 CYS H 1 78 GLU O 2.000 . 2.500 2.019 1.909 2.165 . 0 0 "[ . 1 . 2]" 2
10 1 68 CYS N 1 78 GLU O 3.000 2.500 3.500 2.962 2.829 3.127 . 0 0 "[ . 1 . 2]" 2
11 1 28 GLU O 1 71 THR H 2.000 . 2.500 2.091 1.903 2.276 . 0 0 "[ . 1 . 2]" 2
12 1 28 GLU O 1 71 THR N 3.000 2.500 3.500 3.017 2.866 3.194 . 0 0 "[ . 1 . 2]" 2
13 1 31 ALA O 1 34 SER H 2.000 . 2.500 1.984 1.894 2.102 . 0 0 "[ . 1 . 2]" 2
14 1 31 ALA O 1 34 SER N 3.000 2.500 3.500 2.888 2.814 3.003 . 0 0 "[ . 1 . 2]" 2
15 1 20 ILE O 1 57 CYS H 2.000 . 2.500 1.952 1.720 2.354 . 0 0 "[ . 1 . 2]" 2
16 1 20 ILE O 1 57 CYS N 3.000 2.500 3.500 2.881 2.699 3.212 . 0 0 "[ . 1 . 2]" 2
17 1 68 CYS O 1 78 GLU H 2.000 . 2.500 2.021 1.822 2.266 . 0 0 "[ . 1 . 2]" 2
18 1 68 CYS O 1 78 GLU N 3.000 2.500 3.500 2.995 2.790 3.244 . 0 0 "[ . 1 . 2]" 2
19 1 58 ARG O 1 67 TRP H 2.000 . 2.500 2.000 1.855 2.165 . 0 0 "[ . 1 . 2]" 2
20 1 58 ARG O 1 67 TRP N 3.000 2.500 3.500 2.959 2.827 3.113 . 0 0 "[ . 1 . 2]" 2
21 1 32 TRP H 1 54 LYS O 2.000 . 2.500 1.904 1.747 2.058 . 0 0 "[ . 1 . 2]" 2
22 1 32 TRP N 1 54 LYS O 3.000 2.500 3.500 2.812 2.696 2.962 . 0 0 "[ . 1 . 2]" 2
23 1 30 GLN H 1 69 PHE O 2.000 . 2.500 1.742 1.692 1.797 . 0 0 "[ . 1 . 2]" 2
24 1 30 GLN N 1 69 PHE O 3.000 2.500 3.500 2.701 2.664 2.743 . 0 0 "[ . 1 . 2]" 2
25 1 58 ARG H 1 67 TRP O 2.000 . 2.500 2.199 2.046 2.310 . 0 0 "[ . 1 . 2]" 2
26 1 58 ARG N 1 67 TRP O 3.000 2.500 3.500 3.053 2.930 3.177 . 0 0 "[ . 1 . 2]" 2
27 2 24 GLU O 2 28 LEU H 2.000 . 2.500 1.940 1.743 2.206 . 0 0 "[ . 1 . 2]" 2
28 2 24 GLU O 2 28 LEU N 3.000 2.500 3.500 2.812 2.635 3.032 . 0 0 "[ . 1 . 2]" 2
29 2 23 ALA O 2 27 ARG H 2.000 . 2.500 1.989 1.803 2.265 . 0 0 "[ . 1 . 2]" 2
30 2 23 ALA O 2 27 ARG N 3.000 2.500 3.500 2.892 2.739 3.109 . 0 0 "[ . 1 . 2]" 2
31 2 22 GLU O 2 26 GLU H 2.000 . 2.500 1.864 1.757 2.062 . 0 0 "[ . 1 . 2]" 2
32 2 22 GLU O 2 26 GLU N 3.000 2.500 3.500 2.756 2.672 2.905 . 0 0 "[ . 1 . 2]" 2
33 2 21 GLU O 2 25 LEU H 2.000 . 2.500 1.757 1.660 1.878 . 0 0 "[ . 1 . 2]" 2
34 2 21 GLU O 2 25 LEU N 3.000 2.500 3.500 2.706 2.624 2.838 . 0 0 "[ . 1 . 2]" 2
35 2 20 HIS O 2 24 GLU H 2.000 . 2.500 2.197 1.929 2.492 . 0 0 "[ . 1 . 2]" 2
36 2 20 HIS O 2 24 GLU N 3.000 2.500 3.500 3.116 2.830 3.374 . 0 0 "[ . 1 . 2]" 2
37 2 19 ARG O 2 23 ALA H 2.000 . 2.500 1.937 1.836 2.057 . 0 0 "[ . 1 . 2]" 2
38 2 19 ARG O 2 23 ALA N 3.000 2.500 3.500 2.829 2.765 2.918 . 0 0 "[ . 1 . 2]" 2
39 2 18 GLU O 2 22 GLU H 2.000 . 2.500 1.794 1.679 1.929 . 0 0 "[ . 1 . 2]" 2
40 2 18 GLU O 2 22 GLU N 3.000 2.500 3.500 2.768 2.658 2.900 . 0 0 "[ . 1 . 2]" 2
41 2 17 ASN O 2 21 GLU H 2.000 . 2.500 1.847 1.740 2.138 . 0 0 "[ . 1 . 2]" 2
42 2 17 ASN O 2 21 GLU N 3.000 2.500 3.500 2.780 2.663 3.015 . 0 0 "[ . 1 . 2]" 2
43 2 16 LYS O 2 20 HIS H 2.000 . 2.500 1.981 1.841 2.193 . 0 0 "[ . 1 . 2]" 2
44 2 16 LYS O 2 20 HIS N 3.000 2.500 3.500 2.817 2.689 2.992 . 0 0 "[ . 1 . 2]" 2
45 2 15 LEU O 2 19 ARG H 2.000 . 2.500 1.951 1.821 2.353 . 0 0 "[ . 1 . 2]" 2
46 2 15 LEU O 2 19 ARG N 3.000 2.500 3.500 2.927 2.796 3.322 . 0 0 "[ . 1 . 2]" 2
47 2 14 ARG O 2 18 GLU H 2.000 . 2.500 1.881 1.699 2.259 . 0 0 "[ . 1 . 2]" 2
48 2 14 ARG O 2 18 GLU N 3.000 2.500 3.500 2.776 2.618 3.074 . 0 0 "[ . 1 . 2]" 2
49 2 13 GLN O 2 17 ASN H 2.000 . 2.500 1.890 1.776 2.165 . 0 0 "[ . 1 . 2]" 2
50 2 13 GLN O 2 17 ASN N 3.000 2.500 3.500 2.834 2.732 3.105 . 0 0 "[ . 1 . 2]" 2
51 2 12 LEU O 2 16 LYS H 2.000 . 2.500 1.878 1.740 2.086 . 0 0 "[ . 1 . 2]" 2
52 2 12 LEU O 2 16 LYS N 3.000 2.500 3.500 2.767 2.674 2.976 . 0 0 "[ . 1 . 2]" 2
53 2 11 GLU O 2 15 LEU H 2.000 . 2.500 1.919 1.737 2.274 . 0 0 "[ . 1 . 2]" 2
54 2 11 GLU O 2 15 LEU N 3.000 2.500 3.500 2.879 2.697 3.234 . 0 0 "[ . 1 . 2]" 2
55 2 10 ALA O 2 14 ARG H 2.000 . 2.500 2.200 1.820 2.504 0.004 3 0 "[ . 1 . 2]" 2
56 2 10 ALA O 2 14 ARG N 3.000 2.500 3.500 3.091 2.752 3.376 . 0 0 "[ . 1 . 2]" 2
57 2 9 ASP O 2 13 GLN H 2.000 . 2.500 2.042 1.787 2.522 0.022 3 0 "[ . 1 . 2]" 2
58 2 9 ASP O 2 13 GLN N 3.000 2.500 3.500 2.899 2.694 3.320 . 0 0 "[ . 1 . 2]" 2
59 2 8 ALA O 2 12 LEU H 2.000 . 2.500 1.866 1.738 2.039 . 0 0 "[ . 1 . 2]" 2
60 2 8 ALA O 2 12 LEU N 3.000 2.500 3.500 2.827 2.698 2.991 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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