NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
393410 |
1qkh   |
4369 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1qkh
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 926
_Distance_constraint_stats_list.Viol_count 1617
_Distance_constraint_stats_list.Viol_total 2416.602
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.0712
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 VAL 0.994 0.097 9 0 "[ . 1 . 2 ]"
1 9 PHE 1.386 0.091 3 0 "[ . 1 . 2 ]"
1 10 VAL 1.540 0.142 5 0 "[ . 1 . 2 ]"
1 11 ASP 4.181 0.142 5 0 "[ . 1 . 2 ]"
1 12 ASP 6.312 0.176 4 0 "[ . 1 . 2 ]"
1 13 HIS 5.374 0.176 4 0 "[ . 1 . 2 ]"
1 14 LEU 2.567 0.105 6 0 "[ . 1 . 2 ]"
1 15 LEU 4.517 0.155 13 0 "[ . 1 . 2 ]"
1 16 GLU 2.064 0.124 9 0 "[ . 1 . 2 ]"
1 17 LYS 1.494 0.060 4 0 "[ . 1 . 2 ]"
1 18 VAL 3.649 0.212 6 0 "[ . 1 . 2 ]"
1 19 LEU 10.359 0.254 4 0 "[ . 1 . 2 ]"
1 20 GLU 6.586 0.254 4 0 "[ . 1 . 2 ]"
1 21 LEU 1.976 0.107 19 0 "[ . 1 . 2 ]"
1 22 ASN 0.614 0.045 7 0 "[ . 1 . 2 ]"
1 23 ALA 7.060 0.223 2 0 "[ . 1 . 2 ]"
1 24 LYS 4.963 0.170 7 0 "[ . 1 . 2 ]"
1 25 GLY 0.353 0.069 8 0 "[ . 1 . 2 ]"
1 26 GLU 2.596 0.170 7 0 "[ . 1 . 2 ]"
1 27 LYS 0.803 0.088 20 0 "[ . 1 . 2 ]"
1 28 ARG 1.742 0.119 9 0 "[ . 1 . 2 ]"
1 29 LEU 3.741 0.122 9 0 "[ . 1 . 2 ]"
1 30 ILE 0.418 0.049 21 0 "[ . 1 . 2 ]"
1 31 LYS 0.137 0.041 9 0 "[ . 1 . 2 ]"
1 32 THR 0.072 0.041 6 0 "[ . 1 . 2 ]"
1 33 TRP 0.747 0.075 2 0 "[ . 1 . 2 ]"
1 34 SER 1.049 0.075 2 0 "[ . 1 . 2 ]"
1 35 ARG 0.245 0.066 6 0 "[ . 1 . 2 ]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 37 SER 4.131 0.151 9 0 "[ . 1 . 2 ]"
1 38 THR 0.595 0.107 5 0 "[ . 1 . 2 ]"
1 39 ILE 6.209 0.242 11 0 "[ . 1 . 2 ]"
1 40 VAL 6.218 0.329 17 0 "[ . 1 . 2 ]"
1 41 PRO 1.856 0.203 14 0 "[ . 1 . 2 ]"
1 42 GLU 2.028 0.139 19 0 "[ . 1 . 2 ]"
1 43 MET 4.172 0.329 17 0 "[ . 1 . 2 ]"
1 44 VAL 5.114 0.304 17 0 "[ . 1 . 2 ]"
1 45 GLY 1.232 0.131 20 0 "[ . 1 . 2 ]"
1 46 HIS 2.078 0.165 14 0 "[ . 1 . 2 ]"
1 47 THR 8.980 0.256 10 0 "[ . 1 . 2 ]"
1 48 ILE 2.378 0.154 8 0 "[ . 1 . 2 ]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 VAL 5.611 0.220 10 0 "[ . 1 . 2 ]"
1 51 TYR 0.103 0.030 16 0 "[ . 1 . 2 ]"
1 52 ASN 2.544 0.154 2 0 "[ . 1 . 2 ]"
1 53 GLY 1.908 0.151 9 0 "[ . 1 . 2 ]"
1 54 LYS 3.929 0.155 12 0 "[ . 1 . 2 ]"
1 55 GLN 4.503 0.155 12 0 "[ . 1 . 2 ]"
1 56 HIS 0.049 0.021 17 0 "[ . 1 . 2 ]"
1 57 VAL 0.459 0.084 6 0 "[ . 1 . 2 ]"
1 58 PRO 7.400 0.256 10 0 "[ . 1 . 2 ]"
1 59 VAL 4.140 0.154 8 0 "[ . 1 . 2 ]"
1 60 TYR 2.541 0.112 18 0 "[ . 1 . 2 ]"
1 61 ILE 4.758 0.222 5 0 "[ . 1 . 2 ]"
1 62 THR 1.912 0.204 15 0 "[ . 1 . 2 ]"
1 63 GLU 3.485 0.304 17 0 "[ . 1 . 2 ]"
1 64 ASN 0.641 0.101 8 0 "[ . 1 . 2 ]"
1 65 MET 4.346 0.204 15 0 "[ . 1 . 2 ]"
1 66 VAL 0.496 0.043 9 0 "[ . 1 . 2 ]"
1 67 GLY 0.208 0.101 14 0 "[ . 1 . 2 ]"
1 68 HIS 5.825 0.192 7 0 "[ . 1 . 2 ]"
1 69 LYS 4.858 0.167 14 0 "[ . 1 . 2 ]"
1 70 LEU 4.121 0.242 11 0 "[ . 1 . 2 ]"
1 71 GLY 3.049 0.104 14 0 "[ . 1 . 2 ]"
1 72 GLU 6.359 0.188 10 0 "[ . 1 . 2 ]"
1 73 PHE 4.855 0.167 14 0 "[ . 1 . 2 ]"
1 74 ALA 5.343 0.188 10 0 "[ . 1 . 2 ]"
1 75 PRO 1.207 0.155 5 0 "[ . 1 . 2 ]"
1 76 THR 3.632 0.155 5 0 "[ . 1 . 2 ]"
1 77 ARG 0.354 0.081 3 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 VAL H 1 8 VAL HB 0.000 . 3.500 2.908 2.311 3.597 0.097 9 0 "[ . 1 . 2 ]" 1
2 1 8 VAL H 1 8 VAL QG 0.000 . 3.500 2.195 1.791 2.600 . 0 0 "[ . 1 . 2 ]" 1
3 1 8 VAL H 1 9 PHE H 0.000 . 5.000 3.885 2.140 4.670 . 0 0 "[ . 1 . 2 ]" 1
4 1 8 VAL HA 1 9 PHE H 0.000 . 3.500 2.611 2.205 3.579 0.079 21 0 "[ . 1 . 2 ]" 1
5 1 8 VAL HA 1 9 PHE HA 0.000 . 5.000 4.530 4.471 4.630 . 0 0 "[ . 1 . 2 ]" 1
6 1 8 VAL HA 1 9 PHE HB3 5.000 . 5.000 4.340 3.932 5.059 0.059 16 0 "[ . 1 . 2 ]" 1
7 1 8 VAL HB 1 9 PHE H 5.000 . 5.000 3.514 2.019 4.495 . 0 0 "[ . 1 . 2 ]" 1
8 1 8 VAL QG 1 9 PHE H 0.000 . 5.000 3.007 2.079 3.626 . 0 0 "[ . 1 . 2 ]" 1
9 1 9 PHE H 1 9 PHE HB2 0.000 . 3.500 3.534 3.377 3.591 0.091 3 0 "[ . 1 . 2 ]" 1
10 1 9 PHE H 1 9 PHE HB3 3.500 . 3.500 2.388 2.199 2.710 . 0 0 "[ . 1 . 2 ]" 1
11 1 9 PHE H 1 9 PHE QD 0.000 . 5.000 3.291 2.543 3.878 . 0 0 "[ . 1 . 2 ]" 1
12 1 9 PHE H 1 10 VAL H 0.000 . 5.000 4.460 4.348 4.597 . 0 0 "[ . 1 . 2 ]" 1
13 1 9 PHE H 1 38 THR HB 5.000 . 5.000 4.343 3.984 4.580 . 0 0 "[ . 1 . 2 ]" 1
14 1 9 PHE H 1 38 THR MG 6.000 . 6.000 4.805 4.415 5.019 . 0 0 "[ . 1 . 2 ]" 1
15 1 9 PHE HA 1 9 PHE QE 6.000 . 6.000 5.185 4.920 5.425 . 0 0 "[ . 1 . 2 ]" 1
16 1 9 PHE HA 1 10 VAL H 0.000 . 2.700 2.282 2.212 2.373 . 0 0 "[ . 1 . 2 ]" 1
17 1 9 PHE HA 1 10 VAL HA 5.000 . 5.000 4.480 4.450 4.545 . 0 0 "[ . 1 . 2 ]" 1
18 1 9 PHE HA 1 10 VAL QG 0.000 . 5.000 3.587 3.275 3.720 . 0 0 "[ . 1 . 2 ]" 1
19 1 9 PHE HB2 1 9 PHE QE 5.000 . 5.000 4.449 4.417 4.476 . 0 0 "[ . 1 . 2 ]" 1
20 1 9 PHE HB2 1 10 VAL H 5.000 . 5.000 3.684 3.401 3.915 . 0 0 "[ . 1 . 2 ]" 1
21 1 9 PHE HB3 1 9 PHE QE 5.000 . 5.000 4.456 4.441 4.472 . 0 0 "[ . 1 . 2 ]" 1
22 1 9 PHE HB3 1 10 VAL H 0.000 . 5.000 4.334 4.069 4.459 . 0 0 "[ . 1 . 2 ]" 1
23 1 9 PHE QD 1 10 VAL H 5.000 . 5.000 3.176 3.013 3.406 . 0 0 "[ . 1 . 2 ]" 1
24 1 9 PHE QD 1 11 ASP H 5.000 . 5.000 4.155 3.793 4.318 . 0 0 "[ . 1 . 2 ]" 1
25 1 9 PHE QD 1 12 ASP QB 6.000 . 6.000 4.798 4.763 4.828 . 0 0 "[ . 1 . 2 ]" 1
26 1 9 PHE QD 1 36 ARG QD 6.000 . 6.000 3.264 2.596 3.723 . 0 0 "[ . 1 . 2 ]" 1
27 1 9 PHE QD 1 37 SER HA 5.000 . 5.000 3.261 2.747 3.761 . 0 0 "[ . 1 . 2 ]" 1
28 1 9 PHE QD 1 38 THR H 5.000 . 5.000 4.232 3.378 4.464 . 0 0 "[ . 1 . 2 ]" 1
29 1 9 PHE QE 1 10 VAL H 6.000 . 6.000 4.388 3.830 4.778 . 0 0 "[ . 1 . 2 ]" 1
30 1 9 PHE QE 1 10 VAL HA 6.000 . 6.000 4.611 3.865 4.990 . 0 0 "[ . 1 . 2 ]" 1
31 1 9 PHE QE 1 11 ASP H 5.000 . 5.000 3.468 2.698 3.838 . 0 0 "[ . 1 . 2 ]" 1
32 1 9 PHE QE 1 11 ASP HA 6.000 . 6.000 2.604 2.242 2.797 . 0 0 "[ . 1 . 2 ]" 1
33 1 9 PHE QE 1 11 ASP QB 5.000 . 5.000 3.208 2.988 4.052 . 0 0 "[ . 1 . 2 ]" 1
34 1 9 PHE QE 1 12 ASP H 6.000 . 6.000 2.659 2.463 2.895 . 0 0 "[ . 1 . 2 ]" 1
35 1 9 PHE QE 1 36 ARG QD 6.000 . 6.000 4.772 4.738 4.791 . 0 0 "[ . 1 . 2 ]" 1
36 1 9 PHE QE 1 37 SER HA 5.000 . 5.000 2.583 1.901 2.946 . 0 0 "[ . 1 . 2 ]" 1
37 1 9 PHE QE 1 37 SER HB2 5.000 . 5.000 4.496 4.467 4.572 . 0 0 "[ . 1 . 2 ]" 1
38 1 9 PHE QE 1 37 SER HB3 6.000 . 6.000 4.613 4.149 5.159 . 0 0 "[ . 1 . 2 ]" 1
39 1 9 PHE QE 1 38 THR H 6.000 . 6.000 4.333 3.143 4.772 . 0 0 "[ . 1 . 2 ]" 1
40 1 9 PHE HZ 1 11 ASP H 0.000 . 5.000 3.973 3.744 4.394 . 0 0 "[ . 1 . 2 ]" 1
41 1 9 PHE HZ 1 11 ASP HA 0.000 . 5.000 1.835 1.687 2.064 . 0 0 "[ . 1 . 2 ]" 1
42 1 9 PHE HZ 1 11 ASP QB 0.000 . 5.000 3.312 2.676 3.956 . 0 0 "[ . 1 . 2 ]" 1
43 1 9 PHE HZ 1 12 ASP H 0.000 . 5.000 3.070 2.095 3.727 . 0 0 "[ . 1 . 2 ]" 1
44 1 9 PHE HZ 1 13 HIS QB 5.000 . 5.000 4.563 4.535 4.599 . 0 0 "[ . 1 . 2 ]" 1
45 1 9 PHE HZ 1 37 SER HA 5.000 . 5.000 4.346 4.014 4.976 . 0 0 "[ . 1 . 2 ]" 1
46 1 10 VAL H 1 10 VAL HB 3.500 . 3.500 2.760 2.352 3.295 . 0 0 "[ . 1 . 2 ]" 1
47 1 10 VAL H 1 11 ASP H 0.000 . 5.000 4.294 4.145 4.344 . 0 0 "[ . 1 . 2 ]" 1
48 1 10 VAL H 1 11 ASP HA 5.000 . 5.000 5.072 5.010 5.142 0.142 5 0 "[ . 1 . 2 ]" 1
49 1 10 VAL HA 1 11 ASP H 0.000 . 3.500 2.210 2.145 2.239 . 0 0 "[ . 1 . 2 ]" 1
50 1 10 VAL HA 1 11 ASP QB 0.000 . 5.000 4.115 4.013 4.569 . 0 0 "[ . 1 . 2 ]" 1
51 1 10 VAL HA 1 37 SER HA 0.000 . 5.000 3.543 2.966 3.988 . 0 0 "[ . 1 . 2 ]" 1
52 1 10 VAL HA 1 38 THR H 0.000 . 3.500 1.986 1.800 2.587 . 0 0 "[ . 1 . 2 ]" 1
53 1 10 VAL HB 1 11 ASP H 0.000 . 5.000 4.451 4.343 4.534 . 0 0 "[ . 1 . 2 ]" 1
54 1 10 VAL HB 1 38 THR H 0.000 . 5.000 4.445 3.815 5.014 0.014 6 0 "[ . 1 . 2 ]" 1
55 1 10 VAL QG 1 11 ASP H 5.000 . 5.000 2.882 2.667 3.129 . 0 0 "[ . 1 . 2 ]" 1
56 1 10 VAL QG 1 14 LEU HG 5.000 . 5.000 3.739 3.603 3.782 . 0 0 "[ . 1 . 2 ]" 1
57 1 10 VAL QG 1 38 THR MG 5.000 . 5.000 2.775 1.829 3.116 . 0 0 "[ . 1 . 2 ]" 1
58 1 11 ASP H 1 11 ASP HA 0.000 . 2.700 2.743 2.640 2.772 0.072 18 0 "[ . 1 . 2 ]" 1
59 1 11 ASP H 1 11 ASP QB 0.000 . 3.500 2.218 2.000 2.643 . 0 0 "[ . 1 . 2 ]" 1
60 1 11 ASP H 1 12 ASP H 0.000 . 5.000 4.399 4.285 4.475 . 0 0 "[ . 1 . 2 ]" 1
61 1 11 ASP H 1 14 LEU QD 0.000 . 5.000 3.109 2.780 3.841 . 0 0 "[ . 1 . 2 ]" 1
62 1 11 ASP H 1 37 SER H 0.000 . 5.000 5.080 5.037 5.120 0.120 11 0 "[ . 1 . 2 ]" 1
63 1 11 ASP H 1 37 SER HA 0.000 . 5.000 2.412 2.306 2.554 . 0 0 "[ . 1 . 2 ]" 1
64 1 11 ASP H 1 37 SER HB3 5.000 . 5.000 3.964 3.209 4.457 . 0 0 "[ . 1 . 2 ]" 1
65 1 11 ASP H 1 38 THR H 0.000 . 5.000 2.163 1.928 2.674 . 0 0 "[ . 1 . 2 ]" 1
66 1 11 ASP QB 1 12 ASP H 0.000 . 5.000 3.913 3.621 3.990 . 0 0 "[ . 1 . 2 ]" 1
67 1 11 ASP QB 1 13 HIS QB 6.000 . 6.000 3.958 3.406 4.173 . 0 0 "[ . 1 . 2 ]" 1
68 1 11 ASP QB 1 14 LEU H 0.000 . 5.000 2.922 2.372 3.194 . 0 0 "[ . 1 . 2 ]" 1
69 1 11 ASP QB 1 14 LEU QB 0.000 . 5.000 2.136 1.644 2.629 . 0 0 "[ . 1 . 2 ]" 1
70 1 11 ASP QB 1 14 LEU QD 5.000 . 5.000 1.959 1.731 3.317 . 0 0 "[ . 1 . 2 ]" 1
71 1 11 ASP QB 1 15 LEU H 5.000 . 5.000 4.243 3.785 4.498 . 0 0 "[ . 1 . 2 ]" 1
72 1 11 ASP QB 1 34 SER H 5.000 . 5.000 4.158 3.715 4.515 . 0 0 "[ . 1 . 2 ]" 1
73 1 12 ASP H 1 12 ASP HA 0.000 . 2.700 2.863 2.846 2.874 0.174 16 0 "[ . 1 . 2 ]" 1
74 1 12 ASP H 1 12 ASP QB 0.000 . 3.500 2.107 2.040 2.174 . 0 0 "[ . 1 . 2 ]" 1
75 1 12 ASP H 1 13 HIS H 0.000 . 3.500 2.490 2.440 2.534 . 0 0 "[ . 1 . 2 ]" 1
76 1 12 ASP H 1 13 HIS HA 5.000 . 5.000 5.137 5.104 5.176 0.176 4 0 "[ . 1 . 2 ]" 1
77 1 12 ASP H 1 13 HIS QB 5.000 . 5.000 4.035 3.962 4.144 . 0 0 "[ . 1 . 2 ]" 1
78 1 12 ASP H 1 14 LEU H 5.000 . 5.000 4.156 3.923 4.333 . 0 0 "[ . 1 . 2 ]" 1
79 1 12 ASP HA 1 13 HIS H 3.500 . 3.500 3.477 3.459 3.490 . 0 0 "[ . 1 . 2 ]" 1
80 1 12 ASP HA 1 14 LEU H 5.000 . 5.000 3.921 3.680 4.169 . 0 0 "[ . 1 . 2 ]" 1
81 1 12 ASP HA 1 15 LEU H 5.000 . 5.000 3.212 3.104 3.419 . 0 0 "[ . 1 . 2 ]" 1
82 1 12 ASP HA 1 15 LEU HB2 0.000 . 5.000 2.374 1.971 2.815 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 ASP HA 1 16 GLU H 5.000 . 5.000 4.141 3.835 4.378 . 0 0 "[ . 1 . 2 ]" 1
84 1 12 ASP QB 1 13 HIS H 3.500 . 3.500 2.831 2.755 2.874 . 0 0 "[ . 1 . 2 ]" 1
85 1 12 ASP QB 1 13 HIS HA 5.000 . 5.000 4.040 4.006 4.123 . 0 0 "[ . 1 . 2 ]" 1
86 1 12 ASP QB 1 13 HIS QB 5.000 . 5.000 3.986 3.938 4.018 . 0 0 "[ . 1 . 2 ]" 1
87 1 13 HIS H 1 13 HIS QB 0.000 . 3.500 1.986 1.913 2.152 . 0 0 "[ . 1 . 2 ]" 1
88 1 13 HIS H 1 14 LEU QB 5.000 . 5.000 4.251 3.993 4.436 . 0 0 "[ . 1 . 2 ]" 1
89 1 13 HIS H 1 16 GLU QB 6.000 . 6.000 5.011 4.692 5.369 . 0 0 "[ . 1 . 2 ]" 1
90 1 13 HIS HA 1 14 LEU H 3.500 . 3.500 3.505 3.440 3.545 0.045 6 0 "[ . 1 . 2 ]" 1
91 1 13 HIS HA 1 16 GLU H 3.500 . 3.500 3.578 3.542 3.624 0.124 9 0 "[ . 1 . 2 ]" 1
92 1 13 HIS HA 1 17 LYS H 0.000 . 5.000 5.017 4.896 5.060 0.060 4 0 "[ . 1 . 2 ]" 1
93 1 13 HIS QB 1 14 LEU H 3.500 . 3.500 2.860 2.600 3.124 . 0 0 "[ . 1 . 2 ]" 1
94 1 13 HIS QB 1 14 LEU QB 5.000 . 5.000 3.804 3.653 3.985 . 0 0 "[ . 1 . 2 ]" 1
95 1 13 HIS QB 1 32 THR MG 6.000 . 6.000 3.487 1.770 4.481 . 0 0 "[ . 1 . 2 ]" 1
96 1 14 LEU H 1 14 LEU QB 0.000 . 3.500 2.064 1.975 2.194 . 0 0 "[ . 1 . 2 ]" 1
97 1 14 LEU H 1 14 LEU QD 0.000 . 5.000 3.295 3.096 3.622 . 0 0 "[ . 1 . 2 ]" 1
98 1 14 LEU H 1 14 LEU HG 0.000 . 3.500 3.033 2.596 3.502 0.002 7 0 "[ . 1 . 2 ]" 1
99 1 14 LEU H 1 15 LEU HA 5.000 . 5.000 5.062 4.980 5.105 0.105 6 0 "[ . 1 . 2 ]" 1
100 1 14 LEU H 1 15 LEU QD 5.000 . 5.000 3.474 3.224 3.724 . 0 0 "[ . 1 . 2 ]" 1
101 1 14 LEU H 1 17 LYS H 5.000 . 5.000 5.020 4.976 5.057 0.057 11 0 "[ . 1 . 2 ]" 1
102 1 14 LEU HA 1 15 LEU H 5.000 . 5.000 3.529 3.503 3.545 . 0 0 "[ . 1 . 2 ]" 1
103 1 14 LEU HA 1 16 GLU H 5.000 . 5.000 4.469 4.334 4.652 . 0 0 "[ . 1 . 2 ]" 1
104 1 14 LEU HA 1 18 VAL H 0.000 . 5.000 4.334 4.072 4.642 . 0 0 "[ . 1 . 2 ]" 1
105 1 14 LEU QB 1 15 LEU H 3.500 . 3.500 3.186 2.963 3.292 . 0 0 "[ . 1 . 2 ]" 1
106 1 14 LEU QD 1 15 LEU H 5.000 . 5.000 3.044 2.743 3.310 . 0 0 "[ . 1 . 2 ]" 1
107 1 14 LEU HG 1 15 LEU H 3.500 . 3.500 2.037 1.732 2.506 . 0 0 "[ . 1 . 2 ]" 1
108 1 14 LEU HG 1 18 VAL H 5.000 . 5.000 4.951 4.716 5.084 0.084 15 0 "[ . 1 . 2 ]" 1
109 1 15 LEU H 1 15 LEU HB2 0.000 . 3.500 2.092 2.057 2.193 . 0 0 "[ . 1 . 2 ]" 1
110 1 15 LEU H 1 15 LEU HB3 3.500 . 3.500 3.447 3.424 3.494 . 0 0 "[ . 1 . 2 ]" 1
111 1 15 LEU H 1 15 LEU QD 0.000 . 5.000 2.110 1.827 2.528 . 0 0 "[ . 1 . 2 ]" 1
112 1 15 LEU H 1 15 LEU HG 0.000 . 3.500 3.440 2.731 3.655 0.155 13 0 "[ . 1 . 2 ]" 1
113 1 15 LEU H 1 17 LYS H 5.000 . 5.000 4.035 3.977 4.134 . 0 0 "[ . 1 . 2 ]" 1
114 1 15 LEU H 1 18 VAL H 0.000 . 5.000 4.557 4.428 4.666 . 0 0 "[ . 1 . 2 ]" 1
115 1 15 LEU H 1 30 ILE MG 5.000 . 5.000 4.250 4.189 4.294 . 0 0 "[ . 1 . 2 ]" 1
116 1 15 LEU HA 1 15 LEU QD 0.000 . 3.500 2.682 2.648 2.719 . 0 0 "[ . 1 . 2 ]" 1
117 1 15 LEU HA 1 16 GLU H 5.000 . 5.000 3.569 3.550 3.588 . 0 0 "[ . 1 . 2 ]" 1
118 1 15 LEU HA 1 17 LYS H 5.000 . 5.000 3.818 3.718 3.956 . 0 0 "[ . 1 . 2 ]" 1
119 1 15 LEU HA 1 18 VAL H 0.000 . 5.000 3.021 2.880 3.086 . 0 0 "[ . 1 . 2 ]" 1
120 1 15 LEU HA 1 18 VAL HB 5.000 . 5.000 2.915 2.036 3.331 . 0 0 "[ . 1 . 2 ]" 1
121 1 15 LEU HA 1 18 VAL QG 0.000 . 5.000 1.847 1.614 2.588 . 0 0 "[ . 1 . 2 ]" 1
122 1 15 LEU HA 1 19 LEU H 0.000 . 5.000 3.442 3.019 3.727 . 0 0 "[ . 1 . 2 ]" 1
123 1 15 LEU HB3 1 16 GLU H 0.000 . 3.500 3.184 3.065 3.380 . 0 0 "[ . 1 . 2 ]" 1
124 1 15 LEU QD 1 16 GLU H 5.000 . 5.000 3.800 3.763 3.825 . 0 0 "[ . 1 . 2 ]" 1
125 1 15 LEU QD 1 18 VAL QG 6.000 . 6.000 3.047 2.618 3.347 . 0 0 "[ . 1 . 2 ]" 1
126 1 15 LEU QD 1 42 GLU H 0.000 . 6.000 4.349 3.714 4.500 . 0 0 "[ . 1 . 2 ]" 1
127 1 15 LEU HG 1 16 GLU H 5.000 . 5.000 4.794 4.579 4.901 . 0 0 "[ . 1 . 2 ]" 1
128 1 15 LEU HG 1 18 VAL H 5.000 . 5.000 5.008 4.857 5.067 0.067 9 0 "[ . 1 . 2 ]" 1
129 1 15 LEU HG 1 19 LEU H 5.000 . 5.000 4.989 4.628 5.138 0.138 16 0 "[ . 1 . 2 ]" 1
130 1 16 GLU H 1 16 GLU QB 0.000 . 3.500 2.065 1.964 2.434 . 0 0 "[ . 1 . 2 ]" 1
131 1 16 GLU H 1 16 GLU QG 0.000 . 3.500 2.890 2.095 3.131 . 0 0 "[ . 1 . 2 ]" 1
132 1 16 GLU H 1 17 LYS H 0.000 . 3.500 2.787 2.739 2.832 . 0 0 "[ . 1 . 2 ]" 1
133 1 16 GLU H 1 18 VAL H 0.000 . 5.000 4.194 4.110 4.297 . 0 0 "[ . 1 . 2 ]" 1
134 1 16 GLU H 1 19 LEU H 0.000 . 5.000 4.972 4.876 5.026 0.026 9 0 "[ . 1 . 2 ]" 1
135 1 16 GLU HA 1 16 GLU QG 0.000 . 3.500 3.192 3.152 3.283 . 0 0 "[ . 1 . 2 ]" 1
136 1 16 GLU HA 1 17 LYS H 0.000 . 3.500 3.500 3.472 3.530 0.030 8 0 "[ . 1 . 2 ]" 1
137 1 16 GLU HA 1 18 VAL H 0.000 . 5.000 4.672 4.524 4.922 . 0 0 "[ . 1 . 2 ]" 1
138 1 16 GLU HA 1 19 LEU H 0.000 . 5.000 4.273 4.026 4.649 . 0 0 "[ . 1 . 2 ]" 1
139 1 16 GLU HA 1 19 LEU QB 5.000 . 5.000 4.054 3.653 4.457 . 0 0 "[ . 1 . 2 ]" 1
140 1 16 GLU HA 1 19 LEU HG 5.000 . 5.000 3.664 3.094 4.518 . 0 0 "[ . 1 . 2 ]" 1
141 1 16 GLU HA 1 20 GLU H 5.000 . 5.000 4.847 4.328 5.051 0.051 19 0 "[ . 1 . 2 ]" 1
142 1 16 GLU QB 1 17 LYS H 5.000 . 5.000 3.481 3.324 3.668 . 0 0 "[ . 1 . 2 ]" 1
143 1 16 GLU QG 1 17 LYS H 0.000 . 5.000 2.346 2.085 2.514 . 0 0 "[ . 1 . 2 ]" 1
144 1 16 GLU QG 1 18 VAL H 5.000 . 5.000 4.336 4.062 4.466 . 0 0 "[ . 1 . 2 ]" 1
145 1 17 LYS H 1 17 LYS HB2 0.000 . 3.500 2.192 2.094 2.246 . 0 0 "[ . 1 . 2 ]" 1
146 1 17 LYS H 1 17 LYS HB3 3.500 . 3.500 3.500 3.393 3.548 0.048 9 0 "[ . 1 . 2 ]" 1
147 1 17 LYS H 1 18 VAL H 0.000 . 3.500 2.193 2.091 2.328 . 0 0 "[ . 1 . 2 ]" 1
148 1 17 LYS H 1 18 VAL HB 5.000 . 5.000 4.176 3.956 4.422 . 0 0 "[ . 1 . 2 ]" 1
149 1 17 LYS H 1 18 VAL QG 0.000 . 5.000 3.750 3.723 3.784 . 0 0 "[ . 1 . 2 ]" 1
150 1 17 LYS H 1 19 LEU H 0.000 . 5.000 3.916 3.793 4.141 . 0 0 "[ . 1 . 2 ]" 1
151 1 17 LYS H 1 20 GLU H 0.000 . 5.000 4.723 4.465 4.914 . 0 0 "[ . 1 . 2 ]" 1
152 1 17 LYS H 1 30 ILE MG 5.000 . 5.000 3.384 3.109 3.694 . 0 0 "[ . 1 . 2 ]" 1
153 1 17 LYS HA 1 18 VAL H 0.000 . 5.000 3.556 3.523 3.581 . 0 0 "[ . 1 . 2 ]" 1
154 1 17 LYS HA 1 20 GLU H 5.000 . 5.000 3.646 3.484 3.827 . 0 0 "[ . 1 . 2 ]" 1
155 1 17 LYS HB2 1 18 VAL H 0.000 . 3.500 2.899 2.701 3.138 . 0 0 "[ . 1 . 2 ]" 1
156 1 18 VAL H 1 18 VAL HB 0.000 . 3.500 2.244 2.156 2.365 . 0 0 "[ . 1 . 2 ]" 1
157 1 18 VAL H 1 18 VAL QG 0.000 . 3.500 2.352 2.151 2.477 . 0 0 "[ . 1 . 2 ]" 1
158 1 18 VAL H 1 19 LEU H 0.000 . 3.500 2.595 2.449 2.696 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 VAL H 1 20 GLU H 0.000 . 5.000 3.873 3.669 4.000 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 VAL H 1 30 ILE MG 5.000 . 5.000 3.119 2.564 3.596 . 0 0 "[ . 1 . 2 ]" 1
161 1 18 VAL HA 1 19 LEU H 0.000 . 5.000 3.566 3.550 3.586 . 0 0 "[ . 1 . 2 ]" 1
162 1 18 VAL HA 1 20 GLU H 0.000 . 5.000 4.018 3.856 4.255 . 0 0 "[ . 1 . 2 ]" 1
163 1 18 VAL HA 1 21 LEU H 0.000 . 5.000 3.041 2.938 3.136 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 VAL HA 1 21 LEU QD 5.000 . 5.000 2.947 1.758 3.586 . 0 0 "[ . 1 . 2 ]" 1
165 1 18 VAL HA 1 22 ASN H 0.000 . 5.000 4.307 4.062 4.551 . 0 0 "[ . 1 . 2 ]" 1
166 1 18 VAL HB 1 19 LEU H 0.000 . 3.500 3.505 2.588 3.712 0.212 6 0 "[ . 1 . 2 ]" 1
167 1 18 VAL QG 1 19 LEU H 0.000 . 5.000 2.060 1.743 3.250 . 0 0 "[ . 1 . 2 ]" 1
168 1 18 VAL QG 1 19 LEU HA 5.000 . 5.000 3.007 2.834 3.565 . 0 0 "[ . 1 . 2 ]" 1
169 1 18 VAL QG 1 19 LEU QD 6.000 . 6.000 3.060 2.284 3.333 . 0 0 "[ . 1 . 2 ]" 1
170 1 18 VAL QG 1 19 LEU HG 0.000 . 5.000 3.196 1.944 3.717 . 0 0 "[ . 1 . 2 ]" 1
171 1 18 VAL QG 1 20 GLU H 0.000 . 6.000 3.885 3.765 4.420 . 0 0 "[ . 1 . 2 ]" 1
172 1 18 VAL QG 1 21 LEU H 0.000 . 5.000 3.847 3.801 3.903 . 0 0 "[ . 1 . 2 ]" 1
173 1 18 VAL QG 1 22 ASN H 0.000 . 6.000 3.899 3.736 4.068 . 0 0 "[ . 1 . 2 ]" 1
174 1 18 VAL QG 1 22 ASN HD21 6.000 . 6.000 2.383 1.962 2.684 . 0 0 "[ . 1 . 2 ]" 1
175 1 18 VAL QG 1 22 ASN HD22 0.000 . 5.000 2.459 2.175 2.846 . 0 0 "[ . 1 . 2 ]" 1
176 1 18 VAL QG 1 30 ILE HB 5.000 . 5.000 3.656 3.033 3.790 . 0 0 "[ . 1 . 2 ]" 1
177 1 18 VAL QG 1 42 GLU H 0.000 . 6.000 4.197 3.491 4.490 . 0 0 "[ . 1 . 2 ]" 1
178 1 18 VAL QG 1 42 GLU QG 5.000 . 5.000 2.716 1.600 3.344 . 0 0 "[ . 1 . 2 ]" 1
179 1 18 VAL QG 1 43 MET H 0.000 . 5.000 3.735 3.566 3.860 . 0 0 "[ . 1 . 2 ]" 1
180 1 18 VAL QG 1 43 MET HA 0.000 . 5.000 2.373 1.854 2.794 . 0 0 "[ . 1 . 2 ]" 1
181 1 18 VAL QG 1 46 HIS HB2 6.000 . 6.000 2.859 2.553 3.216 . 0 0 "[ . 1 . 2 ]" 1
182 1 18 VAL QG 1 46 HIS HD2 5.000 . 5.000 2.920 2.543 3.328 . 0 0 "[ . 1 . 2 ]" 1
183 1 19 LEU H 1 19 LEU QD 0.000 . 5.000 2.835 2.806 2.872 . 0 0 "[ . 1 . 2 ]" 1
184 1 19 LEU H 1 19 LEU HG 0.000 . 2.700 1.998 1.672 2.277 . 0 0 "[ . 1 . 2 ]" 1
185 1 19 LEU H 1 20 GLU H 0.000 . 3.500 2.497 2.400 2.570 . 0 0 "[ . 1 . 2 ]" 1
186 1 19 LEU H 1 20 GLU HA 0.000 . 5.000 5.193 5.132 5.245 0.245 16 0 "[ . 1 . 2 ]" 1
187 1 19 LEU H 1 20 GLU QB 0.000 . 5.000 4.102 3.937 4.270 . 0 0 "[ . 1 . 2 ]" 1
188 1 19 LEU H 1 21 LEU H 5.000 . 5.000 3.991 3.843 4.119 . 0 0 "[ . 1 . 2 ]" 1
189 1 19 LEU H 1 21 LEU HB2 5.000 . 5.000 5.013 4.864 5.078 0.078 9 0 "[ . 1 . 2 ]" 1
190 1 19 LEU H 1 22 ASN H 5.000 . 5.000 4.690 4.581 4.828 . 0 0 "[ . 1 . 2 ]" 1
191 1 19 LEU HA 1 20 GLU H 0.000 . 3.500 3.488 3.478 3.496 . 0 0 "[ . 1 . 2 ]" 1
192 1 19 LEU HA 1 22 ASN H 0.000 . 5.000 3.223 3.118 3.352 . 0 0 "[ . 1 . 2 ]" 1
193 1 19 LEU HA 1 22 ASN QB 5.000 . 5.000 2.336 2.167 2.449 . 0 0 "[ . 1 . 2 ]" 1
194 1 19 LEU HA 1 22 ASN HD22 5.000 . 5.000 4.265 3.704 4.656 . 0 0 "[ . 1 . 2 ]" 1
195 1 19 LEU QB 1 20 GLU H 0.000 . 5.000 3.082 2.433 3.571 . 0 0 "[ . 1 . 2 ]" 1
196 1 19 LEU QD 1 20 GLU H 0.000 . 5.000 3.144 2.606 3.775 . 0 0 "[ . 1 . 2 ]" 1
197 1 19 LEU HG 1 20 GLU H 0.000 . 3.500 2.769 1.976 3.754 0.254 4 0 "[ . 1 . 2 ]" 1
198 1 20 GLU H 1 20 GLU QB 0.000 . 3.500 2.029 1.933 2.171 . 0 0 "[ . 1 . 2 ]" 1
199 1 20 GLU H 1 20 GLU QG 0.000 . 5.000 3.470 2.626 3.989 . 0 0 "[ . 1 . 2 ]" 1
200 1 20 GLU H 1 22 ASN H 5.000 . 5.000 3.881 3.788 3.987 . 0 0 "[ . 1 . 2 ]" 1
201 1 20 GLU HA 1 22 ASN H 5.000 . 5.000 4.181 4.051 4.267 . 0 0 "[ . 1 . 2 ]" 1
202 1 20 GLU HA 1 23 ALA H 3.500 . 3.500 3.468 3.349 3.544 0.044 14 0 "[ . 1 . 2 ]" 1
203 1 20 GLU HA 1 23 ALA MB 5.000 . 5.000 2.586 2.325 2.756 . 0 0 "[ . 1 . 2 ]" 1
204 1 20 GLU QB 1 21 LEU H 3.500 . 3.500 2.689 2.515 2.760 . 0 0 "[ . 1 . 2 ]" 1
205 1 20 GLU QB 1 22 ASN H 0.000 . 5.000 4.523 4.494 4.539 . 0 0 "[ . 1 . 2 ]" 1
206 1 20 GLU QG 1 21 LEU H 0.000 . 5.000 4.312 3.808 4.489 . 0 0 "[ . 1 . 2 ]" 1
207 1 20 GLU QG 1 23 ALA MB 5.000 . 5.000 3.630 3.457 3.732 . 0 0 "[ . 1 . 2 ]" 1
208 1 21 LEU H 1 21 LEU HB2 0.000 . 3.500 2.139 1.998 2.337 . 0 0 "[ . 1 . 2 ]" 1
209 1 21 LEU H 1 21 LEU QD 0.000 . 3.500 2.532 2.337 2.723 . 0 0 "[ . 1 . 2 ]" 1
210 1 21 LEU H 1 22 ASN H 0.000 . 3.500 2.448 2.389 2.536 . 0 0 "[ . 1 . 2 ]" 1
211 1 21 LEU H 1 22 ASN QB 5.000 . 5.000 4.226 4.150 4.316 . 0 0 "[ . 1 . 2 ]" 1
212 1 21 LEU H 1 22 ASN HD21 5.000 . 5.000 4.167 3.784 4.366 . 0 0 "[ . 1 . 2 ]" 1
213 1 21 LEU HA 1 22 ASN H 0.000 . 3.500 3.505 3.490 3.513 0.013 16 0 "[ . 1 . 2 ]" 1
214 1 21 LEU HA 1 22 ASN HD21 6.000 . 6.000 5.867 5.239 6.016 0.016 8 0 "[ . 1 . 2 ]" 1
215 1 21 LEU HA 1 24 LYS H 0.000 . 3.500 3.548 3.459 3.607 0.107 19 0 "[ . 1 . 2 ]" 1
216 1 21 LEU HA 1 24 LYS QB 5.000 . 5.000 3.762 3.111 4.465 . 0 0 "[ . 1 . 2 ]" 1
217 1 21 LEU HA 1 26 GLU HA 6.000 . 6.000 5.154 4.569 5.878 . 0 0 "[ . 1 . 2 ]" 1
218 1 21 LEU HB2 1 22 ASN H 0.000 . 3.500 2.988 2.825 3.123 . 0 0 "[ . 1 . 2 ]" 1
219 1 21 LEU HB2 1 23 ALA H 5.000 . 5.000 4.947 4.829 5.027 0.027 5 0 "[ . 1 . 2 ]" 1
220 1 21 LEU HB3 1 28 ARG H 5.000 . 5.000 3.702 3.237 4.267 . 0 0 "[ . 1 . 2 ]" 1
221 1 21 LEU QD 1 25 GLY H 0.000 . 6.000 4.481 4.356 4.548 . 0 0 "[ . 1 . 2 ]" 1
222 1 21 LEU QD 1 26 GLU H 0.000 . 5.000 3.224 2.960 3.488 . 0 0 "[ . 1 . 2 ]" 1
223 1 21 LEU QD 1 27 LYS H 6.000 . 6.000 4.000 3.546 4.461 . 0 0 "[ . 1 . 2 ]" 1
224 1 21 LEU QD 1 28 ARG H 0.000 . 5.000 2.127 1.838 2.736 . 0 0 "[ . 1 . 2 ]" 1
225 1 21 LEU QD 1 29 LEU H 0.000 . 6.000 3.948 2.793 4.460 . 0 0 "[ . 1 . 2 ]" 1
226 1 22 ASN H 1 22 ASN QB 0.000 . 3.500 2.133 2.072 2.212 . 0 0 "[ . 1 . 2 ]" 1
227 1 22 ASN H 1 22 ASN HD21 0.000 . 5.000 2.818 2.494 2.993 . 0 0 "[ . 1 . 2 ]" 1
228 1 22 ASN H 1 22 ASN HD22 0.000 . 5.000 4.067 3.877 4.283 . 0 0 "[ . 1 . 2 ]" 1
229 1 22 ASN H 1 23 ALA H 0.000 . 3.500 2.401 2.324 2.448 . 0 0 "[ . 1 . 2 ]" 1
230 1 22 ASN H 1 23 ALA HA 5.000 . 5.000 5.019 4.981 5.045 0.045 7 0 "[ . 1 . 2 ]" 1
231 1 22 ASN H 1 23 ALA MB 0.000 . 5.000 3.929 3.859 3.969 . 0 0 "[ . 1 . 2 ]" 1
232 1 22 ASN H 1 24 LYS H 0.000 . 5.000 4.204 4.063 4.330 . 0 0 "[ . 1 . 2 ]" 1
233 1 22 ASN H 1 25 GLY H 0.000 . 5.000 4.570 4.403 4.761 . 0 0 "[ . 1 . 2 ]" 1
234 1 22 ASN HA 1 22 ASN HD22 5.000 . 5.000 4.241 4.012 4.385 . 0 0 "[ . 1 . 2 ]" 1
235 1 22 ASN HA 1 23 ALA H 0.000 . 5.000 3.437 3.421 3.479 . 0 0 "[ . 1 . 2 ]" 1
236 1 22 ASN HA 1 23 ALA HA 6.000 . 6.000 4.759 4.738 4.782 . 0 0 "[ . 1 . 2 ]" 1
237 1 22 ASN HA 1 24 LYS H 5.000 . 5.000 4.459 4.276 4.632 . 0 0 "[ . 1 . 2 ]" 1
238 1 22 ASN HA 1 25 GLY H 0.000 . 5.000 3.551 3.265 3.837 . 0 0 "[ . 1 . 2 ]" 1
239 1 22 ASN HA 1 25 GLY QA 5.000 . 5.000 3.501 3.325 3.671 . 0 0 "[ . 1 . 2 ]" 1
240 1 22 ASN HA 1 26 GLU H 0.000 . 5.000 4.495 3.929 5.000 0.000 11 0 "[ . 1 . 2 ]" 1
241 1 22 ASN QB 1 23 ALA H 0.000 . 3.500 3.093 2.963 3.151 . 0 0 "[ . 1 . 2 ]" 1
242 1 22 ASN QB 1 25 GLY H 6.000 . 6.000 5.026 4.798 5.250 . 0 0 "[ . 1 . 2 ]" 1
243 1 22 ASN HD21 1 42 GLU QB 5.000 . 5.000 3.097 2.153 4.420 . 0 0 "[ . 1 . 2 ]" 1
244 1 22 ASN HD21 1 42 GLU QG 5.000 . 5.000 4.043 3.584 4.460 . 0 0 "[ . 1 . 2 ]" 1
245 1 22 ASN HD22 1 42 GLU QB 5.000 . 5.000 3.055 2.230 4.488 . 0 0 "[ . 1 . 2 ]" 1
246 1 23 ALA H 1 23 ALA HA 0.000 . 2.700 2.911 2.900 2.923 0.223 2 0 "[ . 1 . 2 ]" 1
247 1 23 ALA H 1 23 ALA MB 0.000 . 3.500 2.156 2.139 2.170 . 0 0 "[ . 1 . 2 ]" 1
248 1 23 ALA H 1 24 LYS H 0.000 . 3.500 2.353 2.304 2.435 . 0 0 "[ . 1 . 2 ]" 1
249 1 23 ALA H 1 24 LYS HA 0.000 . 5.000 5.082 5.043 5.118 0.118 19 0 "[ . 1 . 2 ]" 1
250 1 23 ALA H 1 24 LYS QB 5.000 . 5.000 4.435 4.117 4.536 . 0 0 "[ . 1 . 2 ]" 1
251 1 23 ALA H 1 26 GLU H 0.000 . 5.000 4.864 4.713 5.050 0.050 18 0 "[ . 1 . 2 ]" 1
252 1 23 ALA HA 1 24 LYS H 0.000 . 5.000 3.558 3.538 3.584 . 0 0 "[ . 1 . 2 ]" 1
253 1 23 ALA HA 1 25 GLY H 0.000 . 5.000 4.495 4.158 4.769 . 0 0 "[ . 1 . 2 ]" 1
254 1 23 ALA MB 1 24 LYS H 0.000 . 5.000 2.486 2.436 2.565 . 0 0 "[ . 1 . 2 ]" 1
255 1 23 ALA MB 1 25 GLY H 0.000 . 5.000 4.234 4.202 4.266 . 0 0 "[ . 1 . 2 ]" 1
256 1 24 LYS H 1 24 LYS QD 0.000 . 5.000 3.478 2.769 4.458 . 0 0 "[ . 1 . 2 ]" 1
257 1 24 LYS H 1 24 LYS QE 0.000 . 6.000 4.073 2.847 5.322 . 0 0 "[ . 1 . 2 ]" 1
258 1 24 LYS H 1 24 LYS QG 3.500 . 3.500 2.304 1.962 3.120 . 0 0 "[ . 1 . 2 ]" 1
259 1 24 LYS H 1 25 GLY H 0.000 . 3.500 2.187 2.085 2.315 . 0 0 "[ . 1 . 2 ]" 1
260 1 24 LYS H 1 25 GLY QA 0.000 . 5.000 4.211 4.098 4.327 . 0 0 "[ . 1 . 2 ]" 1
261 1 24 LYS H 1 26 GLU H 0.000 . 3.500 3.592 3.552 3.670 0.170 7 0 "[ . 1 . 2 ]" 1
262 1 24 LYS H 1 26 GLU QG 6.000 . 6.000 4.885 4.219 5.179 . 0 0 "[ . 1 . 2 ]" 1
263 1 24 LYS HA 1 24 LYS QD 0.000 . 5.000 3.293 1.713 4.334 . 0 0 "[ . 1 . 2 ]" 1
264 1 24 LYS HA 1 25 GLY H 0.000 . 3.500 3.485 3.436 3.523 0.023 11 0 "[ . 1 . 2 ]" 1
265 1 24 LYS HA 1 26 GLU H 5.000 . 5.000 4.843 4.329 5.059 0.059 19 0 "[ . 1 . 2 ]" 1
266 1 24 LYS QB 1 25 GLY H 0.000 . 5.000 3.122 2.597 3.662 . 0 0 "[ . 1 . 2 ]" 1
267 1 24 LYS QD 1 25 GLY H 0.000 . 5.000 4.277 3.419 4.505 . 0 0 "[ . 1 . 2 ]" 1
268 1 24 LYS QE 1 25 GLY H 6.000 . 6.000 5.014 3.784 5.368 . 0 0 "[ . 1 . 2 ]" 1
269 1 24 LYS QG 1 25 GLY H 5.000 . 5.000 3.215 1.929 4.473 . 0 0 "[ . 1 . 2 ]" 1
270 1 24 LYS QG 1 26 GLU H 5.000 . 5.000 3.439 1.900 4.574 . 0 0 "[ . 1 . 2 ]" 1
271 1 25 GLY H 1 26 GLU H 5.000 . 5.000 2.193 2.064 2.330 . 0 0 "[ . 1 . 2 ]" 1
272 1 25 GLY H 1 26 GLU HA 0.000 . 5.000 4.932 4.801 5.069 0.069 8 0 "[ . 1 . 2 ]" 1
273 1 25 GLY H 1 26 GLU QG 5.000 . 5.000 4.271 3.625 4.495 . 0 0 "[ . 1 . 2 ]" 1
274 1 25 GLY QA 1 26 GLU H 0.000 . 3.500 2.868 2.811 2.957 . 0 0 "[ . 1 . 2 ]" 1
275 1 25 GLY QA 1 26 GLU HA 0.000 . 5.000 4.136 4.057 4.197 . 0 0 "[ . 1 . 2 ]" 1
276 1 26 GLU H 1 26 GLU HB2 0.000 . 3.500 2.162 2.011 2.332 . 0 0 "[ . 1 . 2 ]" 1
277 1 26 GLU H 1 26 GLU QG 5.000 . 5.000 2.832 2.284 3.189 . 0 0 "[ . 1 . 2 ]" 1
278 1 26 GLU H 1 27 LYS H 0.000 . 5.000 4.585 4.438 4.667 . 0 0 "[ . 1 . 2 ]" 1
279 1 26 GLU HA 1 27 LYS H 0.000 . 3.500 2.240 2.202 2.302 . 0 0 "[ . 1 . 2 ]" 1
280 1 26 GLU HB2 1 27 LYS H 5.000 . 5.000 4.330 4.090 4.480 . 0 0 "[ . 1 . 2 ]" 1
281 1 26 GLU HB2 1 28 ARG H 5.000 . 5.000 4.715 4.102 5.009 0.009 7 0 "[ . 1 . 2 ]" 1
282 1 26 GLU HB3 1 27 LYS H 0.000 . 3.500 3.321 2.979 3.523 0.023 12 0 "[ . 1 . 2 ]" 1
283 1 26 GLU QG 1 27 LYS H 0.000 . 5.000 3.927 3.527 4.421 . 0 0 "[ . 1 . 2 ]" 1
284 1 27 LYS H 1 27 LYS HB2 0.000 . 3.500 2.239 2.069 2.312 . 0 0 "[ . 1 . 2 ]" 1
285 1 27 LYS H 1 27 LYS HB3 3.500 . 3.500 3.530 3.398 3.588 0.088 20 0 "[ . 1 . 2 ]" 1
286 1 27 LYS H 1 27 LYS QG 0.000 . 3.500 3.084 2.886 3.141 . 0 0 "[ . 1 . 2 ]" 1
287 1 27 LYS H 1 28 ARG H 0.000 . 5.000 3.709 3.084 4.166 . 0 0 "[ . 1 . 2 ]" 1
288 1 27 LYS HA 1 27 LYS QG 0.000 . 3.500 2.212 2.070 2.479 . 0 0 "[ . 1 . 2 ]" 1
289 1 27 LYS HA 1 28 ARG H 0.000 . 3.500 2.460 2.301 2.748 . 0 0 "[ . 1 . 2 ]" 1
290 1 27 LYS HB2 1 28 ARG H 5.000 . 5.000 4.535 4.343 4.641 . 0 0 "[ . 1 . 2 ]" 1
291 1 27 LYS QG 1 28 ARG H 0.000 . 5.000 4.364 4.222 4.548 . 0 0 "[ . 1 . 2 ]" 1
292 1 28 ARG H 1 28 ARG HB2 0.000 . 3.500 2.425 2.240 2.827 . 0 0 "[ . 1 . 2 ]" 1
293 1 28 ARG H 1 28 ARG QG 0.000 . 5.000 4.007 3.831 4.191 . 0 0 "[ . 1 . 2 ]" 1
294 1 28 ARG H 1 29 LEU H 5.000 . 5.000 4.206 3.257 4.309 . 0 0 "[ . 1 . 2 ]" 1
295 1 28 ARG H 1 29 LEU HA 5.000 . 5.000 4.988 4.712 5.052 0.052 1 0 "[ . 1 . 2 ]" 1
296 1 28 ARG H 1 30 ILE MD 6.000 . 6.000 4.438 4.060 5.002 . 0 0 "[ . 1 . 2 ]" 1
297 1 28 ARG HA 1 28 ARG QD 0.000 . 5.000 3.423 2.116 4.029 . 0 0 "[ . 1 . 2 ]" 1
298 1 28 ARG HA 1 29 LEU H 0.000 . 3.500 2.935 2.809 3.524 0.024 15 0 "[ . 1 . 2 ]" 1
299 1 28 ARG HA 1 29 LEU HA 5.000 . 5.000 4.534 4.483 4.816 . 0 0 "[ . 1 . 2 ]" 1
300 1 28 ARG HA 1 29 LEU QB 0.000 . 5.000 4.002 3.848 4.107 . 0 0 "[ . 1 . 2 ]" 1
301 1 28 ARG HA 1 29 LEU QD 6.000 . 6.000 4.299 3.722 4.486 . 0 0 "[ . 1 . 2 ]" 1
302 1 28 ARG HB2 1 29 LEU H 3.500 . 3.500 3.550 3.396 3.619 0.119 9 0 "[ . 1 . 2 ]" 1
303 1 28 ARG HB3 1 29 LEU H 0.000 . 3.500 2.138 1.802 2.293 . 0 0 "[ . 1 . 2 ]" 1
304 1 28 ARG QD 1 29 LEU H 0.000 . 5.000 3.577 1.855 4.223 . 0 0 "[ . 1 . 2 ]" 1
305 1 29 LEU H 1 29 LEU QB 0.000 . 3.500 2.503 2.268 2.899 . 0 0 "[ . 1 . 2 ]" 1
306 1 29 LEU H 1 29 LEU QD 0.000 . 5.000 2.439 2.003 2.883 . 0 0 "[ . 1 . 2 ]" 1
307 1 29 LEU H 1 30 ILE H 0.000 . 5.000 4.519 4.267 4.574 . 0 0 "[ . 1 . 2 ]" 1
308 1 29 LEU H 1 47 THR HB 0.000 . 5.000 5.051 5.023 5.122 0.122 9 0 "[ . 1 . 2 ]" 1
309 1 29 LEU HA 1 30 ILE H 3.500 . 3.500 2.341 2.274 2.474 . 0 0 "[ . 1 . 2 ]" 1
310 1 29 LEU HA 1 47 THR HB 5.000 . 5.000 3.118 2.849 3.540 . 0 0 "[ . 1 . 2 ]" 1
311 1 29 LEU QB 1 30 ILE H 0.000 . 5.000 3.051 2.744 3.389 . 0 0 "[ . 1 . 2 ]" 1
312 1 29 LEU QD 1 30 ILE H 5.000 . 5.000 3.153 2.337 3.639 . 0 0 "[ . 1 . 2 ]" 1
313 1 29 LEU QD 1 31 LYS HA 5.000 . 5.000 3.675 3.510 3.745 . 0 0 "[ . 1 . 2 ]" 1
314 1 29 LEU QD 1 49 ALA H 0.000 . 5.000 2.977 2.427 3.527 . 0 0 "[ . 1 . 2 ]" 1
315 1 29 LEU HG 1 30 ILE H 0.000 . 3.500 3.351 2.854 3.549 0.049 21 0 "[ . 1 . 2 ]" 1
316 1 29 LEU HG 1 31 LYS H 5.000 . 5.000 4.214 3.618 5.041 0.041 9 0 "[ . 1 . 2 ]" 1
317 1 29 LEU HG 1 47 THR HB 0.000 . 5.000 4.864 4.369 5.065 0.065 16 0 "[ . 1 . 2 ]" 1
318 1 29 LEU HG 1 49 ALA H 6.000 . 6.000 4.682 3.478 5.190 . 0 0 "[ . 1 . 2 ]" 1
319 1 30 ILE H 1 30 ILE HB 0.000 . 3.500 2.538 2.390 2.626 . 0 0 "[ . 1 . 2 ]" 1
320 1 30 ILE H 1 30 ILE MD 0.000 . 5.000 2.908 2.415 3.608 . 0 0 "[ . 1 . 2 ]" 1
321 1 30 ILE H 1 30 ILE QG 0.000 . 3.500 3.042 2.441 3.203 . 0 0 "[ . 1 . 2 ]" 1
322 1 30 ILE H 1 31 LYS H 0.000 . 5.000 4.287 4.087 4.543 . 0 0 "[ . 1 . 2 ]" 1
323 1 30 ILE H 1 31 LYS QD 5.000 . 5.000 4.438 4.196 4.500 . 0 0 "[ . 1 . 2 ]" 1
324 1 30 ILE H 1 46 HIS HB3 5.000 . 5.000 4.109 3.161 4.662 . 0 0 "[ . 1 . 2 ]" 1
325 1 30 ILE H 1 47 THR H 0.000 . 5.000 4.015 3.168 4.331 . 0 0 "[ . 1 . 2 ]" 1
326 1 30 ILE H 1 47 THR HB 0.000 . 5.000 4.313 4.037 4.577 . 0 0 "[ . 1 . 2 ]" 1
327 1 30 ILE H 1 48 ILE H 0.000 . 5.000 4.044 3.755 4.235 . 0 0 "[ . 1 . 2 ]" 1
328 1 30 ILE H 1 48 ILE HA 0.000 . 5.000 1.909 1.771 2.470 . 0 0 "[ . 1 . 2 ]" 1
329 1 30 ILE H 1 48 ILE QG 0.000 . 3.500 2.763 2.358 3.208 . 0 0 "[ . 1 . 2 ]" 1
330 1 30 ILE H 1 49 ALA H 0.000 . 5.000 3.155 2.757 3.832 . 0 0 "[ . 1 . 2 ]" 1
331 1 30 ILE H 1 49 ALA MB 6.000 . 6.000 4.512 4.094 5.012 . 0 0 "[ . 1 . 2 ]" 1
332 1 30 ILE HA 1 31 LYS H 0.000 . 2.700 2.243 2.200 2.442 . 0 0 "[ . 1 . 2 ]" 1
333 1 30 ILE HB 1 49 ALA H 0.000 . 5.000 4.126 3.301 4.421 . 0 0 "[ . 1 . 2 ]" 1
334 1 30 ILE MD 1 46 HIS HB2 0.000 . 5.000 3.003 2.482 4.211 . 0 0 "[ . 1 . 2 ]" 1
335 1 30 ILE MD 1 47 THR H 0.000 . 6.000 4.017 3.463 5.015 . 0 0 "[ . 1 . 2 ]" 1
336 1 30 ILE MD 1 48 ILE HA 6.000 . 6.000 3.720 3.196 4.801 . 0 0 "[ . 1 . 2 ]" 1
337 1 30 ILE QG 1 31 LYS H 5.000 . 5.000 4.295 4.134 4.557 . 0 0 "[ . 1 . 2 ]" 1
338 1 30 ILE MG 1 31 LYS H 3.500 . 3.500 2.781 1.997 2.958 . 0 0 "[ . 1 . 2 ]" 1
339 1 31 LYS H 1 31 LYS QB 0.000 . 3.500 2.457 2.158 2.876 . 0 0 "[ . 1 . 2 ]" 1
340 1 31 LYS H 1 31 LYS QD 0.000 . 3.500 2.405 1.909 3.175 . 0 0 "[ . 1 . 2 ]" 1
341 1 31 LYS H 1 31 LYS QG 3.500 . 3.500 2.613 1.838 3.212 . 0 0 "[ . 1 . 2 ]" 1
342 1 31 LYS H 1 49 ALA H 5.000 . 5.000 4.370 4.116 4.928 . 0 0 "[ . 1 . 2 ]" 1
343 1 31 LYS HA 1 32 THR H 0.000 . 3.500 2.317 2.212 2.379 . 0 0 "[ . 1 . 2 ]" 1
344 1 31 LYS HA 1 49 ALA H 0.000 . 5.000 2.768 2.397 3.451 . 0 0 "[ . 1 . 2 ]" 1
345 1 31 LYS HA 1 49 ALA HA 0.000 . 6.000 4.548 4.248 5.341 . 0 0 "[ . 1 . 2 ]" 1
346 1 31 LYS HA 1 49 ALA MB 0.000 . 5.000 1.991 1.770 2.593 . 0 0 "[ . 1 . 2 ]" 1
347 1 31 LYS HA 1 50 VAL HA 6.000 . 6.000 5.158 4.336 5.796 . 0 0 "[ . 1 . 2 ]" 1
348 1 31 LYS QB 1 32 THR H 0.000 . 5.000 2.835 2.611 3.284 . 0 0 "[ . 1 . 2 ]" 1
349 1 32 THR H 1 33 TRP H 0.000 . 5.000 4.480 4.352 4.561 . 0 0 "[ . 1 . 2 ]" 1
350 1 32 THR H 1 49 ALA H 0.000 . 5.000 4.446 3.967 4.818 . 0 0 "[ . 1 . 2 ]" 1
351 1 32 THR H 1 49 ALA MB 0.000 . 5.000 3.129 2.662 3.623 . 0 0 "[ . 1 . 2 ]" 1
352 1 32 THR H 1 50 VAL HA 0.000 . 5.000 4.143 3.407 4.432 . 0 0 "[ . 1 . 2 ]" 1
353 1 32 THR H 1 51 TYR H 0.000 . 5.000 4.071 3.591 4.635 . 0 0 "[ . 1 . 2 ]" 1
354 1 32 THR H 1 56 HIS HB3 5.000 . 5.000 3.280 2.584 4.726 . 0 0 "[ . 1 . 2 ]" 1
355 1 32 THR HA 1 33 TRP H 0.000 . 3.500 2.420 2.276 2.695 . 0 0 "[ . 1 . 2 ]" 1
356 1 32 THR HA 1 33 TRP HE3 0.000 . 5.000 2.975 2.324 3.849 . 0 0 "[ . 1 . 2 ]" 1
357 1 32 THR HA 1 34 SER H 0.000 . 5.000 4.454 4.129 5.031 0.031 2 0 "[ . 1 . 2 ]" 1
358 1 32 THR HB 1 33 TRP H 0.000 . 5.000 3.893 3.507 4.078 . 0 0 "[ . 1 . 2 ]" 1
359 1 32 THR HB 1 34 SER H 0.000 . 5.000 4.358 3.492 5.041 0.041 6 0 "[ . 1 . 2 ]" 1
360 1 32 THR MG 1 33 TRP H 6.000 . 6.000 2.182 1.767 3.792 . 0 0 "[ . 1 . 2 ]" 1
361 1 32 THR MG 1 34 SER H 0.000 . 5.000 2.247 1.776 3.754 . 0 0 "[ . 1 . 2 ]" 1
362 1 32 THR MG 1 35 ARG H 6.000 . 6.000 4.474 3.875 5.063 . 0 0 "[ . 1 . 2 ]" 1
363 1 32 THR MG 1 51 TYR H 5.000 . 5.000 2.280 1.783 4.062 . 0 0 "[ . 1 . 2 ]" 1
364 1 33 TRP H 1 33 TRP HD1 6.000 . 6.000 5.095 4.767 5.208 . 0 0 "[ . 1 . 2 ]" 1
365 1 33 TRP H 1 33 TRP HE3 0.000 . 5.000 2.629 2.004 3.091 . 0 0 "[ . 1 . 2 ]" 1
366 1 33 TRP HA 1 33 TRP HD1 0.000 . 5.000 3.140 2.845 3.699 . 0 0 "[ . 1 . 2 ]" 1
367 1 33 TRP HA 1 33 TRP HE3 5.000 . 5.000 4.519 4.171 4.716 . 0 0 "[ . 1 . 2 ]" 1
368 1 33 TRP HA 1 51 TYR H 5.000 . 5.000 4.568 4.093 4.776 . 0 0 "[ . 1 . 2 ]" 1
369 1 33 TRP HA 1 51 TYR QB 0.000 . 5.000 2.215 1.790 2.411 . 0 0 "[ . 1 . 2 ]" 1
370 1 33 TRP HB2 1 34 SER H 0.000 . 5.000 4.128 3.817 4.319 . 0 0 "[ . 1 . 2 ]" 1
371 1 33 TRP HB3 1 33 TRP HE1 5.000 . 5.000 4.772 4.742 4.798 . 0 0 "[ . 1 . 2 ]" 1
372 1 33 TRP HD1 1 51 TYR QB 0.000 . 5.000 4.526 4.482 4.556 . 0 0 "[ . 1 . 2 ]" 1
373 1 33 TRP HD1 1 51 TYR QD 5.000 . 5.000 3.932 3.158 4.402 . 0 0 "[ . 1 . 2 ]" 1
374 1 33 TRP HD1 1 51 TYR QE 0.000 . 6.000 3.966 3.335 4.519 . 0 0 "[ . 1 . 2 ]" 1
375 1 33 TRP HE1 1 51 TYR QD 6.000 . 6.000 5.273 4.732 5.397 . 0 0 "[ . 1 . 2 ]" 1
376 1 33 TRP HE3 1 34 SER H 0.000 . 5.000 5.019 4.860 5.075 0.075 2 0 "[ . 1 . 2 ]" 1
377 1 33 TRP HE3 1 51 TYR QB 6.000 . 6.000 5.397 5.376 5.425 . 0 0 "[ . 1 . 2 ]" 1
378 1 34 SER H 1 35 ARG H 0.000 . 5.000 3.620 2.856 4.479 . 0 0 "[ . 1 . 2 ]" 1
379 1 34 SER HA 1 35 ARG H 3.500 . 3.500 3.339 2.744 3.566 0.066 6 0 "[ . 1 . 2 ]" 1
380 1 35 ARG H 1 36 ARG H 0.000 . 5.000 2.532 2.347 3.167 . 0 0 "[ . 1 . 2 ]" 1
381 1 35 ARG H 1 37 SER H 0.000 . 5.000 2.992 2.484 3.794 . 0 0 "[ . 1 . 2 ]" 1
382 1 35 ARG H 1 37 SER HA 0.000 . 5.000 4.407 4.144 5.015 0.015 20 0 "[ . 1 . 2 ]" 1
383 1 35 ARG HA 1 37 SER H 5.000 . 5.000 4.102 3.927 4.384 . 0 0 "[ . 1 . 2 ]" 1
384 1 35 ARG HA 1 51 TYR QE 5.000 . 5.000 3.836 3.106 4.495 . 0 0 "[ . 1 . 2 ]" 1
385 1 35 ARG QB 1 37 SER H 5.000 . 5.000 4.341 4.150 4.579 . 0 0 "[ . 1 . 2 ]" 1
386 1 36 ARG H 1 37 SER H 0.000 . 5.000 2.975 2.751 3.290 . 0 0 "[ . 1 . 2 ]" 1
387 1 36 ARG HA 1 37 SER H 5.000 . 5.000 2.873 2.666 3.051 . 0 0 "[ . 1 . 2 ]" 1
388 1 36 ARG QD 1 37 SER H 6.000 . 6.000 5.006 4.614 5.374 . 0 0 "[ . 1 . 2 ]" 1
389 1 36 ARG QG 1 37 SER H 5.000 . 5.000 4.100 3.362 4.491 . 0 0 "[ . 1 . 2 ]" 1
390 1 37 SER H 1 37 SER HB2 0.000 . 3.500 2.264 2.089 2.605 . 0 0 "[ . 1 . 2 ]" 1
391 1 37 SER H 1 37 SER HB3 0.000 . 3.500 3.486 3.438 3.534 0.034 18 0 "[ . 1 . 2 ]" 1
392 1 37 SER H 1 38 THR H 0.000 . 5.000 4.564 4.368 4.670 . 0 0 "[ . 1 . 2 ]" 1
393 1 37 SER HA 1 38 THR H 0.000 . 3.500 2.211 2.166 2.298 . 0 0 "[ . 1 . 2 ]" 1
394 1 37 SER HB2 1 38 THR H 5.000 . 5.000 4.397 4.092 4.590 . 0 0 "[ . 1 . 2 ]" 1
395 1 37 SER HB2 1 51 TYR H 3.500 . 3.500 2.945 2.400 3.530 0.030 16 0 "[ . 1 . 2 ]" 1
396 1 37 SER HB2 1 52 ASN H 5.000 . 5.000 4.943 4.603 5.075 0.075 11 0 "[ . 1 . 2 ]" 1
397 1 37 SER HB2 1 53 GLY H 5.000 . 5.000 5.091 5.045 5.151 0.151 9 0 "[ . 1 . 2 ]" 1
398 1 38 THR H 1 38 THR HB 0.000 . 3.500 2.521 2.340 2.725 . 0 0 "[ . 1 . 2 ]" 1
399 1 38 THR H 1 50 VAL HB 5.000 . 5.000 5.001 4.723 5.107 0.107 5 0 "[ . 1 . 2 ]" 1
400 1 38 THR H 1 69 LYS HA 5.000 . 5.000 4.676 4.503 4.919 . 0 0 "[ . 1 . 2 ]" 1
401 1 38 THR HA 1 38 THR MG 0.000 . 3.500 2.387 2.321 2.531 . 0 0 "[ . 1 . 2 ]" 1
402 1 38 THR HA 1 69 LYS HA 0.000 . 3.500 1.719 1.587 1.940 . 0 0 "[ . 1 . 2 ]" 1
403 1 38 THR HB 1 39 ILE H 5.000 . 5.000 3.862 3.819 3.953 . 0 0 "[ . 1 . 2 ]" 1
404 1 38 THR HB 1 69 LYS HA 0.000 . 5.000 4.534 4.369 4.735 . 0 0 "[ . 1 . 2 ]" 1
405 1 38 THR MG 1 39 ILE H 5.000 . 5.000 1.880 1.793 1.972 . 0 0 "[ . 1 . 2 ]" 1
406 1 38 THR MG 1 40 VAL H 0.000 . 6.000 4.912 4.695 5.004 . 0 0 "[ . 1 . 2 ]" 1
407 1 38 THR MG 1 67 GLY H 0.000 . 5.000 3.509 3.369 3.712 . 0 0 "[ . 1 . 2 ]" 1
408 1 38 THR MG 1 67 GLY QA 5.000 . 5.000 3.762 3.721 3.813 . 0 0 "[ . 1 . 2 ]" 1
409 1 38 THR MG 1 68 HIS H 0.000 . 5.000 3.472 3.269 3.690 . 0 0 "[ . 1 . 2 ]" 1
410 1 38 THR MG 1 69 LYS H 0.000 . 6.000 3.805 3.747 3.875 . 0 0 "[ . 1 . 2 ]" 1
411 1 38 THR MG 1 69 LYS HA 5.000 . 5.000 2.684 2.592 2.798 . 0 0 "[ . 1 . 2 ]" 1
412 1 38 THR MG 1 70 LEU H 6.000 . 6.000 5.077 5.039 5.104 . 0 0 "[ . 1 . 2 ]" 1
413 1 39 ILE H 1 39 ILE HB 0.000 . 3.500 2.480 2.313 2.682 . 0 0 "[ . 1 . 2 ]" 1
414 1 39 ILE H 1 39 ILE MD 0.000 . 5.000 1.929 1.844 2.198 . 0 0 "[ . 1 . 2 ]" 1
415 1 39 ILE H 1 39 ILE QG 0.000 . 3.500 2.571 1.911 3.034 . 0 0 "[ . 1 . 2 ]" 1
416 1 39 ILE H 1 40 VAL H 0.000 . 5.000 4.653 4.617 4.701 . 0 0 "[ . 1 . 2 ]" 1
417 1 39 ILE H 1 66 VAL HA 0.000 . 5.000 4.467 4.265 4.929 . 0 0 "[ . 1 . 2 ]" 1
418 1 39 ILE H 1 67 GLY H 0.000 . 5.000 3.730 3.565 3.966 . 0 0 "[ . 1 . 2 ]" 1
419 1 39 ILE H 1 68 HIS H 0.000 . 5.000 3.899 3.789 4.150 . 0 0 "[ . 1 . 2 ]" 1
420 1 39 ILE H 1 69 LYS H 0.000 . 5.000 3.963 3.899 4.037 . 0 0 "[ . 1 . 2 ]" 1
421 1 39 ILE H 1 69 LYS HA 0.000 . 3.500 2.424 2.154 2.578 . 0 0 "[ . 1 . 2 ]" 1
422 1 39 ILE H 1 70 LEU H 0.000 . 5.000 5.196 5.137 5.242 0.242 11 0 "[ . 1 . 2 ]" 1
423 1 39 ILE HA 1 40 VAL H 0.000 . 2.700 2.436 2.361 2.520 . 0 0 "[ . 1 . 2 ]" 1
424 1 39 ILE HB 1 40 VAL H 3.500 . 3.500 3.562 3.341 3.702 0.202 17 0 "[ . 1 . 2 ]" 1
425 1 39 ILE HB 1 67 GLY H 0.000 . 3.500 2.332 1.989 2.647 . 0 0 "[ . 1 . 2 ]" 1
426 1 39 ILE HB 1 68 HIS H 3.500 . 3.500 3.485 3.283 3.573 0.073 18 0 "[ . 1 . 2 ]" 1
427 1 39 ILE HB 1 73 PHE HZ 5.000 . 5.000 3.128 2.640 3.873 . 0 0 "[ . 1 . 2 ]" 1
428 1 39 ILE MD 1 66 VAL HA 5.000 . 5.000 2.682 1.828 3.342 . 0 0 "[ . 1 . 2 ]" 1
429 1 39 ILE MD 1 67 GLY H 0.000 . 5.000 3.100 2.511 3.486 . 0 0 "[ . 1 . 2 ]" 1
430 1 39 ILE MD 1 68 HIS H 0.000 . 3.500 2.564 1.895 2.972 . 0 0 "[ . 1 . 2 ]" 1
431 1 39 ILE MD 1 69 LYS H 6.000 . 6.000 2.268 1.767 2.633 . 0 0 "[ . 1 . 2 ]" 1
432 1 39 ILE MD 1 70 LEU HA 5.000 . 5.000 3.007 2.669 3.602 . 0 0 "[ . 1 . 2 ]" 1
433 1 39 ILE MD 1 73 PHE QD 0.000 . 6.000 3.274 3.004 3.568 . 0 0 "[ . 1 . 2 ]" 1
434 1 39 ILE MD 1 73 PHE QE 5.000 . 5.000 1.676 1.586 1.843 . 0 0 "[ . 1 . 2 ]" 1
435 1 39 ILE MG 1 40 VAL H 0.000 . 3.500 1.870 1.801 2.054 . 0 0 "[ . 1 . 2 ]" 1
436 1 39 ILE MG 1 43 MET H 5.000 . 5.000 3.906 3.712 4.188 . 0 0 "[ . 1 . 2 ]" 1
437 1 39 ILE MG 1 61 ILE MD 3.500 . 3.500 2.164 1.768 2.506 . 0 0 "[ . 1 . 2 ]" 1
438 1 39 ILE MG 1 66 VAL H 0.000 . 5.000 3.809 3.516 4.175 . 0 0 "[ . 1 . 2 ]" 1
439 1 39 ILE MG 1 66 VAL HA 0.000 . 5.000 2.314 2.019 2.787 . 0 0 "[ . 1 . 2 ]" 1
440 1 39 ILE MG 1 67 GLY H 0.000 . 5.000 3.480 3.279 3.657 . 0 0 "[ . 1 . 2 ]" 1
441 1 40 VAL H 1 40 VAL QG 0.000 . 3.500 2.010 1.829 2.165 . 0 0 "[ . 1 . 2 ]" 1
442 1 40 VAL H 1 41 PRO QD 0.000 . 5.000 4.347 4.314 4.359 . 0 0 "[ . 1 . 2 ]" 1
443 1 40 VAL H 1 43 MET H 5.000 . 5.000 3.716 3.394 4.000 . 0 0 "[ . 1 . 2 ]" 1
444 1 40 VAL H 1 43 MET HA 5.000 . 5.000 5.066 4.460 5.329 0.329 17 0 "[ . 1 . 2 ]" 1
445 1 40 VAL H 1 43 MET QB 5.000 . 5.000 2.577 2.113 3.821 . 0 0 "[ . 1 . 2 ]" 1
446 1 40 VAL H 1 43 MET QG 5.000 . 5.000 2.371 1.684 3.646 . 0 0 "[ . 1 . 2 ]" 1
447 1 40 VAL HA 1 41 PRO HA 0.000 . 5.000 4.349 4.338 4.399 . 0 0 "[ . 1 . 2 ]" 1
448 1 40 VAL HA 1 41 PRO QB 5.000 . 5.000 4.638 4.602 4.679 . 0 0 "[ . 1 . 2 ]" 1
449 1 40 VAL HA 1 41 PRO QD 0.000 . 3.500 2.293 2.204 2.356 . 0 0 "[ . 1 . 2 ]" 1
450 1 40 VAL HA 1 41 PRO QG 0.000 . 5.000 4.199 4.110 4.266 . 0 0 "[ . 1 . 2 ]" 1
451 1 40 VAL HA 1 42 GLU H 0.000 . 5.000 4.392 4.202 4.536 . 0 0 "[ . 1 . 2 ]" 1
452 1 40 VAL HA 1 43 MET H 0.000 . 5.000 4.862 4.705 5.116 0.116 14 0 "[ . 1 . 2 ]" 1
453 1 40 VAL HA 1 67 GLY H 5.000 . 5.000 4.558 4.125 5.101 0.101 14 0 "[ . 1 . 2 ]" 1
454 1 40 VAL HB 1 41 PRO HA 5.000 . 5.000 4.575 4.401 4.603 . 0 0 "[ . 1 . 2 ]" 1
455 1 40 VAL HB 1 41 PRO QB 5.000 . 5.000 4.533 4.413 4.618 . 0 0 "[ . 1 . 2 ]" 1
456 1 40 VAL HB 1 41 PRO QD 0.000 . 3.500 1.864 1.656 2.005 . 0 0 "[ . 1 . 2 ]" 1
457 1 40 VAL HB 1 41 PRO QG 0.000 . 5.000 3.369 3.080 3.661 . 0 0 "[ . 1 . 2 ]" 1
458 1 40 VAL HB 1 42 GLU H 0.000 . 5.000 2.364 2.276 2.456 . 0 0 "[ . 1 . 2 ]" 1
459 1 40 VAL HB 1 42 GLU HA 5.000 . 5.000 5.097 5.057 5.139 0.139 19 0 "[ . 1 . 2 ]" 1
460 1 40 VAL HB 1 43 MET H 0.000 . 5.000 3.626 3.378 3.930 . 0 0 "[ . 1 . 2 ]" 1
461 1 40 VAL QG 1 41 PRO QD 5.000 . 5.000 1.838 1.672 2.163 . 0 0 "[ . 1 . 2 ]" 1
462 1 40 VAL QG 1 42 GLU H 0.000 . 5.000 3.294 2.895 3.423 . 0 0 "[ . 1 . 2 ]" 1
463 1 40 VAL QG 1 43 MET H 5.000 . 5.000 3.405 2.879 3.721 . 0 0 "[ . 1 . 2 ]" 1
464 1 41 PRO HA 1 42 GLU H 0.000 . 5.000 3.531 3.498 3.557 . 0 0 "[ . 1 . 2 ]" 1
465 1 41 PRO HA 1 43 MET H 3.500 . 3.500 3.588 3.525 3.703 0.203 14 0 "[ . 1 . 2 ]" 1
466 1 41 PRO HA 1 44 VAL H 5.000 . 5.000 4.130 3.773 5.009 0.009 14 0 "[ . 1 . 2 ]" 1
467 1 41 PRO QB 1 41 PRO QD 0.000 . 3.500 2.743 2.666 2.931 . 0 0 "[ . 1 . 2 ]" 1
468 1 41 PRO QB 1 42 GLU H 0.000 . 3.500 3.202 3.157 3.250 . 0 0 "[ . 1 . 2 ]" 1
469 1 41 PRO QD 1 42 GLU H 0.000 . 5.000 2.644 2.004 2.755 . 0 0 "[ . 1 . 2 ]" 1
470 1 41 PRO QG 1 42 GLU H 0.000 . 5.000 2.395 2.346 2.558 . 0 0 "[ . 1 . 2 ]" 1
471 1 42 GLU H 1 42 GLU QB 0.000 . 3.500 2.226 1.938 2.531 . 0 0 "[ . 1 . 2 ]" 1
472 1 42 GLU H 1 42 GLU QG 0.000 . 3.500 2.536 1.927 3.157 . 0 0 "[ . 1 . 2 ]" 1
473 1 42 GLU H 1 43 MET H 0.000 . 3.500 2.702 2.663 2.780 . 0 0 "[ . 1 . 2 ]" 1
474 1 42 GLU H 1 44 VAL H 0.000 . 5.000 4.561 4.384 4.920 . 0 0 "[ . 1 . 2 ]" 1
475 1 42 GLU H 1 44 VAL QG 6.000 . 6.000 4.485 3.829 4.587 . 0 0 "[ . 1 . 2 ]" 1
476 1 42 GLU HA 1 43 MET H 0.000 . 3.500 3.352 3.168 3.468 . 0 0 "[ . 1 . 2 ]" 1
477 1 42 GLU HA 1 44 VAL H 0.000 . 5.000 3.716 3.434 4.559 . 0 0 "[ . 1 . 2 ]" 1
478 1 42 GLU QB 1 43 MET H 5.000 . 5.000 3.521 3.147 3.941 . 0 0 "[ . 1 . 2 ]" 1
479 1 42 GLU QB 1 44 VAL H 6.000 . 6.000 4.827 4.627 5.220 . 0 0 "[ . 1 . 2 ]" 1
480 1 43 MET H 1 43 MET QB 3.500 . 3.500 2.354 2.040 3.047 . 0 0 "[ . 1 . 2 ]" 1
481 1 43 MET H 1 43 MET QG 0.000 . 5.000 2.658 1.680 3.514 . 0 0 "[ . 1 . 2 ]" 1
482 1 43 MET H 1 44 VAL H 0.000 . 3.500 2.476 2.182 2.784 . 0 0 "[ . 1 . 2 ]" 1
483 1 43 MET H 1 44 VAL HA 0.000 . 5.000 4.764 4.492 4.990 . 0 0 "[ . 1 . 2 ]" 1
484 1 43 MET H 1 44 VAL QG 5.000 . 5.000 3.380 2.594 3.717 . 0 0 "[ . 1 . 2 ]" 1
485 1 43 MET H 1 46 HIS HD2 0.000 . 5.000 4.443 4.260 4.623 . 0 0 "[ . 1 . 2 ]" 1
486 1 43 MET HA 1 44 VAL H 0.000 . 3.500 3.290 2.864 3.446 . 0 0 "[ . 1 . 2 ]" 1
487 1 43 MET HA 1 45 GLY H 6.000 . 6.000 3.252 3.141 3.408 . 0 0 "[ . 1 . 2 ]" 1
488 1 43 MET HA 1 46 HIS H 5.000 . 5.000 3.874 3.600 4.354 . 0 0 "[ . 1 . 2 ]" 1
489 1 43 MET QB 1 44 VAL H 0.000 . 5.000 3.448 3.139 4.109 . 0 0 "[ . 1 . 2 ]" 1
490 1 43 MET QG 1 44 VAL H 5.000 . 5.000 4.234 2.988 4.739 . 0 0 "[ . 1 . 2 ]" 1
491 1 44 VAL H 1 44 VAL HB 0.000 . 2.700 2.411 1.985 2.595 . 0 0 "[ . 1 . 2 ]" 1
492 1 44 VAL H 1 44 VAL QG 0.000 . 3.500 1.907 1.736 2.461 . 0 0 "[ . 1 . 2 ]" 1
493 1 44 VAL H 1 45 GLY H 0.000 . 5.000 3.075 2.909 3.273 . 0 0 "[ . 1 . 2 ]" 1
494 1 44 VAL H 1 46 HIS HD2 5.000 . 5.000 3.633 3.354 3.942 . 0 0 "[ . 1 . 2 ]" 1
495 1 44 VAL H 1 63 GLU HA 0.000 . 5.000 5.134 5.046 5.304 0.304 17 0 "[ . 1 . 2 ]" 1
496 1 44 VAL HA 1 45 GLY H 0.000 . 3.500 3.352 3.027 3.460 . 0 0 "[ . 1 . 2 ]" 1
497 1 44 VAL HA 1 45 GLY QA 5.000 . 5.000 4.213 4.162 4.245 . 0 0 "[ . 1 . 2 ]" 1
498 1 44 VAL HA 1 46 HIS H 0.000 . 5.000 4.314 3.959 4.408 . 0 0 "[ . 1 . 2 ]" 1
499 1 44 VAL HA 1 46 HIS HD2 0.000 . 5.000 4.910 4.442 5.054 0.054 16 0 "[ . 1 . 2 ]" 1
500 1 44 VAL HA 1 61 ILE H 5.000 . 5.000 5.047 4.799 5.138 0.138 14 0 "[ . 1 . 2 ]" 1
501 1 44 VAL HA 1 61 ILE HA 5.000 . 5.000 4.849 4.498 5.222 0.222 5 0 "[ . 1 . 2 ]" 1
502 1 44 VAL HA 1 61 ILE HB 0.000 . 3.500 3.329 2.506 3.557 0.057 14 0 "[ . 1 . 2 ]" 1
503 1 44 VAL HA 1 61 ILE MG 3.500 . 3.500 2.369 1.702 2.973 . 0 0 "[ . 1 . 2 ]" 1
504 1 44 VAL HA 1 62 THR H 5.000 . 5.000 3.369 2.222 4.663 . 0 0 "[ . 1 . 2 ]" 1
505 1 44 VAL HA 1 62 THR HA 6.000 . 6.000 2.930 2.118 4.613 . 0 0 "[ . 1 . 2 ]" 1
506 1 44 VAL HA 1 63 GLU HA 0.000 . 5.000 3.664 3.404 4.412 . 0 0 "[ . 1 . 2 ]" 1
507 1 44 VAL HB 1 45 GLY H 0.000 . 5.000 4.111 3.349 4.583 . 0 0 "[ . 1 . 2 ]" 1
508 1 44 VAL QG 1 45 GLY H 0.000 . 5.000 3.170 2.676 3.729 . 0 0 "[ . 1 . 2 ]" 1
509 1 44 VAL QG 1 46 HIS HD2 0.000 . 6.000 4.087 3.542 4.565 . 0 0 "[ . 1 . 2 ]" 1
510 1 44 VAL QG 1 62 THR HA 5.000 . 5.000 2.524 2.027 3.345 . 0 0 "[ . 1 . 2 ]" 1
511 1 44 VAL QG 1 63 GLU H 0.000 . 3.500 2.448 2.031 2.758 . 0 0 "[ . 1 . 2 ]" 1
512 1 44 VAL QG 1 64 ASN H 6.000 . 6.000 4.025 3.403 4.428 . 0 0 "[ . 1 . 2 ]" 1
513 1 45 GLY H 1 46 HIS H 0.000 . 3.500 2.258 2.029 2.485 . 0 0 "[ . 1 . 2 ]" 1
514 1 45 GLY H 1 46 HIS HD2 6.000 . 6.000 1.959 1.778 2.208 . 0 0 "[ . 1 . 2 ]" 1
515 1 45 GLY H 1 60 TYR QD 6.000 . 6.000 5.390 4.971 5.508 . 0 0 "[ . 1 . 2 ]" 1
516 1 45 GLY H 1 60 TYR QE 0.000 . 6.000 4.453 4.247 4.881 . 0 0 "[ . 1 . 2 ]" 1
517 1 45 GLY H 1 61 ILE H 0.000 . 5.000 5.039 4.839 5.131 0.131 20 0 "[ . 1 . 2 ]" 1
518 1 45 GLY H 1 61 ILE HB 0.000 . 5.000 4.036 3.358 4.355 . 0 0 "[ . 1 . 2 ]" 1
519 1 45 GLY H 1 62 THR HA 0.000 . 5.000 4.776 4.319 5.078 0.078 18 0 "[ . 1 . 2 ]" 1
520 1 45 GLY QA 1 46 HIS H 0.000 . 3.500 2.825 2.763 2.883 . 0 0 "[ . 1 . 2 ]" 1
521 1 45 GLY QA 1 60 TYR QE 5.000 . 5.000 1.977 1.780 2.473 . 0 0 "[ . 1 . 2 ]" 1
522 1 45 GLY QA 1 62 THR HA 5.000 . 5.000 3.749 2.939 4.117 . 0 0 "[ . 1 . 2 ]" 1
523 1 46 HIS H 1 46 HIS HB2 0.000 . 3.500 2.866 2.732 3.036 . 0 0 "[ . 1 . 2 ]" 1
524 1 46 HIS H 1 46 HIS HD2 0.000 . 3.500 2.938 2.731 3.070 . 0 0 "[ . 1 . 2 ]" 1
525 1 46 HIS H 1 47 THR H 0.000 . 5.000 4.436 4.402 4.480 . 0 0 "[ . 1 . 2 ]" 1
526 1 46 HIS H 1 60 TYR QE 0.000 . 6.000 3.652 3.170 3.919 . 0 0 "[ . 1 . 2 ]" 1
527 1 46 HIS H 1 61 ILE H 0.000 . 3.500 3.302 3.055 3.484 . 0 0 "[ . 1 . 2 ]" 1
528 1 46 HIS H 1 61 ILE HB 0.000 . 3.500 3.359 2.704 3.665 0.165 14 0 "[ . 1 . 2 ]" 1
529 1 46 HIS H 1 61 ILE MD 5.000 . 5.000 3.643 3.308 3.893 . 0 0 "[ . 1 . 2 ]" 1
530 1 46 HIS HA 1 46 HIS HD2 5.000 . 5.000 4.349 4.235 4.512 . 0 0 "[ . 1 . 2 ]" 1
531 1 46 HIS HA 1 47 THR H 0.000 . 3.500 2.311 2.248 2.470 . 0 0 "[ . 1 . 2 ]" 1
532 1 46 HIS HA 1 47 THR HA 5.000 . 5.000 4.471 4.451 4.486 . 0 0 "[ . 1 . 2 ]" 1
533 1 46 HIS HA 1 60 TYR HA 5.000 . 5.000 4.439 4.257 4.549 . 0 0 "[ . 1 . 2 ]" 1
534 1 46 HIS HA 1 60 TYR QE 6.000 . 6.000 3.887 3.627 4.110 . 0 0 "[ . 1 . 2 ]" 1
535 1 46 HIS HA 1 61 ILE MD 6.000 . 6.000 5.042 4.832 5.086 . 0 0 "[ . 1 . 2 ]" 1
536 1 46 HIS HB2 1 47 THR H 5.000 . 5.000 3.697 3.376 3.859 . 0 0 "[ . 1 . 2 ]" 1
537 1 46 HIS HB2 1 47 THR HA 6.000 . 6.000 4.782 4.664 4.859 . 0 0 "[ . 1 . 2 ]" 1
538 1 46 HIS HB2 1 61 ILE H 5.000 . 5.000 4.479 4.194 4.751 . 0 0 "[ . 1 . 2 ]" 1
539 1 46 HIS HB2 1 61 ILE MD 5.000 . 5.000 3.481 3.197 3.724 . 0 0 "[ . 1 . 2 ]" 1
540 1 46 HIS HB3 1 47 THR H 0.000 . 3.500 2.873 2.653 3.030 . 0 0 "[ . 1 . 2 ]" 1
541 1 46 HIS HB3 1 48 ILE H 5.000 . 5.000 4.543 4.251 4.876 . 0 0 "[ . 1 . 2 ]" 1
542 1 46 HIS HD2 1 47 THR H 6.000 . 6.000 6.033 5.905 6.085 0.085 1 0 "[ . 1 . 2 ]" 1
543 1 46 HIS HD2 1 61 ILE HB 0.000 . 5.000 4.752 4.156 5.071 0.071 5 0 "[ . 1 . 2 ]" 1
544 1 46 HIS HD2 1 61 ILE MD 6.000 . 6.000 4.754 4.220 5.061 . 0 0 "[ . 1 . 2 ]" 1
545 1 47 THR H 1 47 THR HB 0.000 . 3.500 2.967 2.852 3.082 . 0 0 "[ . 1 . 2 ]" 1
546 1 47 THR H 1 48 ILE QG 0.000 . 5.000 4.021 3.809 4.426 . 0 0 "[ . 1 . 2 ]" 1
547 1 47 THR H 1 58 PRO HA 6.000 . 6.000 6.179 6.122 6.256 0.256 10 0 "[ . 1 . 2 ]" 1
548 1 47 THR H 1 60 TYR HA 0.000 . 5.000 3.817 3.661 3.918 . 0 0 "[ . 1 . 2 ]" 1
549 1 47 THR H 1 61 ILE H 5.000 . 5.000 5.022 4.785 5.165 0.165 12 0 "[ . 1 . 2 ]" 1
550 1 47 THR HA 1 48 ILE H 0.000 . 3.500 2.364 2.298 2.425 . 0 0 "[ . 1 . 2 ]" 1
551 1 47 THR HA 1 48 ILE HB 5.000 . 5.000 4.637 4.495 4.778 . 0 0 "[ . 1 . 2 ]" 1
552 1 47 THR HA 1 48 ILE QG 5.000 . 5.000 4.279 3.829 4.542 . 0 0 "[ . 1 . 2 ]" 1
553 1 47 THR HA 1 58 PRO HA 0.000 . 5.000 4.580 4.465 4.684 . 0 0 "[ . 1 . 2 ]" 1
554 1 47 THR HA 1 58 PRO QB 6.000 . 6.000 4.454 4.292 4.614 . 0 0 "[ . 1 . 2 ]" 1
555 1 47 THR HA 1 59 VAL H 0.000 . 5.000 3.964 3.762 4.059 . 0 0 "[ . 1 . 2 ]" 1
556 1 47 THR HA 1 59 VAL HA 5.000 . 5.000 4.164 3.905 4.294 . 0 0 "[ . 1 . 2 ]" 1
557 1 47 THR HA 1 59 VAL HB 0.000 . 5.000 4.906 4.625 5.108 0.108 21 0 "[ . 1 . 2 ]" 1
558 1 47 THR HA 1 59 VAL QG 0.000 . 6.000 3.999 3.605 4.362 . 0 0 "[ . 1 . 2 ]" 1
559 1 47 THR HA 1 60 TYR H 0.000 . 5.000 3.314 3.199 3.418 . 0 0 "[ . 1 . 2 ]" 1
560 1 47 THR HA 1 60 TYR HA 0.000 . 3.500 1.820 1.687 1.966 . 0 0 "[ . 1 . 2 ]" 1
561 1 47 THR HA 1 60 TYR HB3 0.000 . 5.000 4.467 4.353 4.638 . 0 0 "[ . 1 . 2 ]" 1
562 1 47 THR HA 1 60 TYR QD 0.000 . 6.000 3.952 3.849 4.101 . 0 0 "[ . 1 . 2 ]" 1
563 1 47 THR HA 1 60 TYR QE 6.000 . 6.000 5.388 5.294 5.477 . 0 0 "[ . 1 . 2 ]" 1
564 1 47 THR HA 1 61 ILE H 0.000 . 3.500 3.283 3.103 3.418 . 0 0 "[ . 1 . 2 ]" 1
565 1 47 THR HB 1 48 ILE H 0.000 . 5.000 4.305 4.268 4.347 . 0 0 "[ . 1 . 2 ]" 1
566 1 47 THR HB 1 60 TYR H 5.000 . 5.000 5.061 4.957 5.112 0.112 18 0 "[ . 1 . 2 ]" 1
567 1 47 THR HB 1 60 TYR QD 6.000 . 6.000 4.453 4.215 4.866 . 0 0 "[ . 1 . 2 ]" 1
568 1 47 THR MG 1 59 VAL H 0.000 . 5.000 3.541 3.307 3.806 . 0 0 "[ . 1 . 2 ]" 1
569 1 47 THR MG 1 60 TYR H 0.000 . 5.000 2.302 2.246 2.368 . 0 0 "[ . 1 . 2 ]" 1
570 1 47 THR MG 1 60 TYR HA 0.000 . 5.000 2.742 2.655 2.911 . 0 0 "[ . 1 . 2 ]" 1
571 1 47 THR MG 1 60 TYR HB2 5.000 . 5.000 1.897 1.709 2.273 . 0 0 "[ . 1 . 2 ]" 1
572 1 47 THR MG 1 60 TYR HB3 5.000 . 5.000 3.434 3.234 3.762 . 0 0 "[ . 1 . 2 ]" 1
573 1 47 THR MG 1 60 TYR QD 0.000 . 5.000 2.497 2.416 2.675 . 0 0 "[ . 1 . 2 ]" 1
574 1 47 THR MG 1 60 TYR QE 0.000 . 6.000 4.469 4.368 4.505 . 0 0 "[ . 1 . 2 ]" 1
575 1 48 ILE H 1 48 ILE HB 0.000 . 3.500 2.315 2.197 2.505 . 0 0 "[ . 1 . 2 ]" 1
576 1 48 ILE H 1 49 ALA H 0.000 . 5.000 4.499 4.446 4.562 . 0 0 "[ . 1 . 2 ]" 1
577 1 48 ILE H 1 59 VAL H 0.000 . 3.500 3.490 3.359 3.573 0.073 14 0 "[ . 1 . 2 ]" 1
578 1 48 ILE H 1 59 VAL HB 0.000 . 5.000 4.661 4.018 5.154 0.154 8 0 "[ . 1 . 2 ]" 1
579 1 48 ILE H 1 60 TYR H 0.000 . 5.000 5.012 4.917 5.080 0.080 5 0 "[ . 1 . 2 ]" 1
580 1 48 ILE H 1 60 TYR HA 0.000 . 3.500 3.531 3.451 3.609 0.109 16 0 "[ . 1 . 2 ]" 1
581 1 48 ILE H 1 61 ILE H 0.000 . 5.000 3.509 3.328 3.682 . 0 0 "[ . 1 . 2 ]" 1
582 1 48 ILE H 1 61 ILE MD 0.000 . 5.000 2.262 2.018 2.500 . 0 0 "[ . 1 . 2 ]" 1
583 1 48 ILE HA 1 49 ALA H 0.000 . 3.500 2.188 2.165 2.218 . 0 0 "[ . 1 . 2 ]" 1
584 1 48 ILE HA 1 49 ALA MB 6.000 . 6.000 3.999 3.966 4.055 . 0 0 "[ . 1 . 2 ]" 1
585 1 48 ILE HB 1 50 VAL H 5.000 . 5.000 4.280 3.795 4.685 . 0 0 "[ . 1 . 2 ]" 1
586 1 48 ILE HB 1 59 VAL H 0.000 . 5.000 4.058 3.636 4.269 . 0 0 "[ . 1 . 2 ]" 1
587 1 48 ILE HB 1 61 ILE MD 5.000 . 5.000 2.100 1.794 2.526 . 0 0 "[ . 1 . 2 ]" 1
588 1 48 ILE QG 1 49 ALA H 5.000 . 5.000 4.201 4.028 4.500 . 0 0 "[ . 1 . 2 ]" 1
589 1 48 ILE QG 1 61 ILE MD 5.000 . 5.000 2.823 1.878 3.392 . 0 0 "[ . 1 . 2 ]" 1
590 1 49 ALA H 1 50 VAL H 0.000 . 5.000 3.927 3.742 4.046 . 0 0 "[ . 1 . 2 ]" 1
591 1 49 ALA H 1 58 PRO HA 0.000 . 5.000 2.899 2.785 3.142 . 0 0 "[ . 1 . 2 ]" 1
592 1 49 ALA HA 1 50 VAL H 0.000 . 3.500 2.323 2.225 2.391 . 0 0 "[ . 1 . 2 ]" 1
593 1 49 ALA HA 1 50 VAL HA 5.000 . 5.000 4.605 4.542 4.655 . 0 0 "[ . 1 . 2 ]" 1
594 1 49 ALA HA 1 50 VAL QG 0.000 . 5.000 3.300 3.255 3.430 . 0 0 "[ . 1 . 2 ]" 1
595 1 49 ALA HA 1 56 HIS HB3 0.000 . 5.000 4.142 3.846 4.422 . 0 0 "[ . 1 . 2 ]" 1
596 1 49 ALA HA 1 57 VAL H 0.000 . 5.000 3.355 2.972 3.582 . 0 0 "[ . 1 . 2 ]" 1
597 1 49 ALA HA 1 57 VAL HA 0.000 . 5.000 3.788 3.735 3.838 . 0 0 "[ . 1 . 2 ]" 1
598 1 49 ALA HA 1 57 VAL HB 5.000 . 5.000 4.058 3.768 4.606 . 0 0 "[ . 1 . 2 ]" 1
599 1 49 ALA HA 1 58 PRO HA 0.000 . 3.500 1.898 1.844 1.939 . 0 0 "[ . 1 . 2 ]" 1
600 1 49 ALA HA 1 58 PRO QB 0.000 . 5.000 3.345 3.304 3.379 . 0 0 "[ . 1 . 2 ]" 1
601 1 49 ALA HA 1 58 PRO QD 5.000 . 5.000 3.160 3.069 3.223 . 0 0 "[ . 1 . 2 ]" 1
602 1 49 ALA HA 1 59 VAL H 0.000 . 3.500 3.000 2.917 3.093 . 0 0 "[ . 1 . 2 ]" 1
603 1 49 ALA HA 1 59 VAL QG 0.000 . 5.000 3.622 3.416 3.798 . 0 0 "[ . 1 . 2 ]" 1
604 1 49 ALA MB 1 50 VAL H 0.000 . 5.000 3.658 3.598 3.687 . 0 0 "[ . 1 . 2 ]" 1
605 1 49 ALA MB 1 56 HIS H 5.000 . 5.000 4.296 4.248 4.392 . 0 0 "[ . 1 . 2 ]" 1
606 1 49 ALA MB 1 56 HIS HA 5.000 . 5.000 3.096 2.842 3.299 . 0 0 "[ . 1 . 2 ]" 1
607 1 49 ALA MB 1 56 HIS HB3 0.000 . 5.000 1.912 1.564 2.326 . 0 0 "[ . 1 . 2 ]" 1
608 1 49 ALA MB 1 57 VAL H 0.000 . 5.000 3.427 2.899 3.797 . 0 0 "[ . 1 . 2 ]" 1
609 1 49 ALA MB 1 57 VAL HA 0.000 . 5.000 3.834 3.738 4.074 . 0 0 "[ . 1 . 2 ]" 1
610 1 49 ALA MB 1 58 PRO HA 0.000 . 5.000 2.528 2.414 2.621 . 0 0 "[ . 1 . 2 ]" 1
611 1 49 ALA MB 1 58 PRO QB 5.000 . 5.000 2.118 1.833 2.367 . 0 0 "[ . 1 . 2 ]" 1
612 1 49 ALA MB 1 58 PRO QD 0.000 . 5.000 2.384 2.137 2.761 . 0 0 "[ . 1 . 2 ]" 1
613 1 49 ALA MB 1 59 VAL H 0.000 . 5.000 4.305 4.258 4.365 . 0 0 "[ . 1 . 2 ]" 1
614 1 50 VAL H 1 50 VAL HB 3.500 . 3.500 3.505 2.544 3.574 0.074 5 0 "[ . 1 . 2 ]" 1
615 1 50 VAL H 1 51 TYR H 0.000 . 5.000 4.612 4.553 4.655 . 0 0 "[ . 1 . 2 ]" 1
616 1 50 VAL H 1 56 HIS HA 0.000 . 5.000 4.551 4.321 4.724 . 0 0 "[ . 1 . 2 ]" 1
617 1 50 VAL H 1 57 VAL H 0.000 . 3.500 3.369 3.041 3.519 0.019 2 0 "[ . 1 . 2 ]" 1
618 1 50 VAL H 1 57 VAL HB 5.000 . 5.000 3.642 3.140 4.975 . 0 0 "[ . 1 . 2 ]" 1
619 1 50 VAL H 1 58 PRO HA 0.000 . 3.500 3.673 3.624 3.720 0.220 10 0 "[ . 1 . 2 ]" 1
620 1 50 VAL H 1 59 VAL H 0.000 . 5.000 3.365 3.119 3.651 . 0 0 "[ . 1 . 2 ]" 1
621 1 50 VAL H 1 59 VAL QG 5.000 . 5.000 3.170 2.597 3.750 . 0 0 "[ . 1 . 2 ]" 1
622 1 50 VAL HA 1 51 TYR H 0.000 . 3.500 2.212 2.172 2.241 . 0 0 "[ . 1 . 2 ]" 1
623 1 50 VAL HA 1 57 VAL H 5.000 . 5.000 4.574 4.367 4.763 . 0 0 "[ . 1 . 2 ]" 1
624 1 50 VAL HB 1 57 VAL H 5.000 . 5.000 4.963 4.766 5.072 0.072 6 0 "[ . 1 . 2 ]" 1
625 1 50 VAL QG 1 52 ASN H 0.000 . 5.000 3.741 3.728 3.759 . 0 0 "[ . 1 . 2 ]" 1
626 1 50 VAL QG 1 57 VAL H 6.000 . 6.000 2.690 2.470 2.878 . 0 0 "[ . 1 . 2 ]" 1
627 1 50 VAL QG 1 59 VAL H 0.000 . 5.000 3.384 3.142 3.719 . 0 0 "[ . 1 . 2 ]" 1
628 1 51 TYR H 1 52 ASN H 0.000 . 5.000 4.350 4.293 4.410 . 0 0 "[ . 1 . 2 ]" 1
629 1 51 TYR H 1 56 HIS HA 5.000 . 5.000 4.112 3.898 4.491 . 0 0 "[ . 1 . 2 ]" 1
630 1 51 TYR H 1 57 VAL H 0.000 . 5.000 4.854 4.711 5.025 0.025 6 0 "[ . 1 . 2 ]" 1
631 1 51 TYR HA 1 51 TYR QE 0.000 . 5.000 4.298 4.225 4.371 . 0 0 "[ . 1 . 2 ]" 1
632 1 51 TYR HA 1 53 GLY H 0.000 . 5.000 3.388 3.311 3.627 . 0 0 "[ . 1 . 2 ]" 1
633 1 51 TYR HA 1 54 LYS H 0.000 . 5.000 4.659 4.558 4.808 . 0 0 "[ . 1 . 2 ]" 1
634 1 51 TYR HA 1 56 HIS H 5.000 . 5.000 4.441 4.273 4.690 . 0 0 "[ . 1 . 2 ]" 1
635 1 51 TYR HA 1 56 HIS HA 0.000 . 5.000 2.437 2.264 2.655 . 0 0 "[ . 1 . 2 ]" 1
636 1 51 TYR HA 1 56 HIS HB3 5.000 . 5.000 4.324 3.795 5.021 0.021 17 0 "[ . 1 . 2 ]" 1
637 1 51 TYR HA 1 57 VAL H 5.000 . 5.000 3.779 3.622 3.903 . 0 0 "[ . 1 . 2 ]" 1
638 1 51 TYR QB 1 52 ASN H 5.000 . 5.000 3.991 3.950 4.010 . 0 0 "[ . 1 . 2 ]" 1
639 1 51 TYR QB 1 53 GLY H 6.000 . 6.000 3.482 3.253 3.620 . 0 0 "[ . 1 . 2 ]" 1
640 1 51 TYR QD 1 52 ASN H 0.000 . 5.000 3.787 3.499 4.078 . 0 0 "[ . 1 . 2 ]" 1
641 1 51 TYR QD 1 53 GLY H 0.000 . 5.000 3.032 2.478 3.243 . 0 0 "[ . 1 . 2 ]" 1
642 1 51 TYR QD 1 54 LYS H 6.000 . 6.000 4.326 4.124 4.546 . 0 0 "[ . 1 . 2 ]" 1
643 1 51 TYR QD 1 55 GLN H 6.000 . 6.000 4.072 3.728 4.727 . 0 0 "[ . 1 . 2 ]" 1
644 1 51 TYR QD 1 56 HIS H 6.000 . 6.000 3.912 3.540 4.550 . 0 0 "[ . 1 . 2 ]" 1
645 1 51 TYR QD 1 57 VAL H 6.000 . 6.000 5.205 4.919 5.402 . 0 0 "[ . 1 . 2 ]" 1
646 1 51 TYR QE 1 52 ASN H 6.000 . 6.000 5.079 4.897 5.266 . 0 0 "[ . 1 . 2 ]" 1
647 1 51 TYR QE 1 53 GLY H 0.000 . 5.000 3.738 3.545 3.815 . 0 0 "[ . 1 . 2 ]" 1
648 1 51 TYR QE 1 53 GLY QA 5.000 . 5.000 2.877 2.643 3.151 . 0 0 "[ . 1 . 2 ]" 1
649 1 51 TYR QE 1 54 LYS H 0.000 . 6.000 3.997 3.743 4.247 . 0 0 "[ . 1 . 2 ]" 1
650 1 51 TYR QE 1 55 GLN H 0.000 . 6.000 3.922 3.583 4.586 . 0 0 "[ . 1 . 2 ]" 1
651 1 51 TYR QE 1 55 GLN HA 6.000 . 6.000 3.437 3.006 4.125 . 0 0 "[ . 1 . 2 ]" 1
652 1 51 TYR QE 1 56 HIS H 6.000 . 6.000 4.574 4.085 5.015 . 0 0 "[ . 1 . 2 ]" 1
653 1 52 ASN H 1 52 ASN QD 0.000 . 5.000 4.173 3.542 4.264 . 0 0 "[ . 1 . 2 ]" 1
654 1 52 ASN H 1 53 GLY H 0.000 . 3.500 2.772 2.682 2.991 . 0 0 "[ . 1 . 2 ]" 1
655 1 52 ASN H 1 54 LYS H 0.000 . 3.500 3.538 3.504 3.584 0.084 12 0 "[ . 1 . 2 ]" 1
656 1 52 ASN H 1 55 GLN H 0.000 . 3.500 3.073 2.980 3.137 . 0 0 "[ . 1 . 2 ]" 1
657 1 52 ASN H 1 55 GLN QB 5.000 . 5.000 4.332 3.752 4.551 . 0 0 "[ . 1 . 2 ]" 1
658 1 52 ASN H 1 55 GLN QE 6.000 . 6.000 5.382 5.311 5.472 . 0 0 "[ . 1 . 2 ]" 1
659 1 52 ASN H 1 57 VAL H 0.000 . 5.000 3.809 3.636 4.070 . 0 0 "[ . 1 . 2 ]" 1
660 1 52 ASN HA 1 53 GLY H 0.000 . 5.000 3.270 3.019 3.345 . 0 0 "[ . 1 . 2 ]" 1
661 1 52 ASN HA 1 54 LYS H 0.000 . 5.000 4.551 4.437 4.645 . 0 0 "[ . 1 . 2 ]" 1
662 1 52 ASN HA 1 55 GLN H 5.000 . 5.000 5.056 4.900 5.154 0.154 2 0 "[ . 1 . 2 ]" 1
663 1 52 ASN QB 1 53 GLY H 0.000 . 5.000 3.569 3.314 4.043 . 0 0 "[ . 1 . 2 ]" 1
664 1 52 ASN QD 1 53 GLY QA 5.000 . 5.000 3.881 3.653 3.986 . 0 0 "[ . 1 . 2 ]" 1
665 1 52 ASN QD 1 54 LYS H 0.000 . 5.000 3.055 2.590 3.175 . 0 0 "[ . 1 . 2 ]" 1
666 1 52 ASN QD 1 54 LYS HA 6.000 . 6.000 5.342 4.853 5.392 . 0 0 "[ . 1 . 2 ]" 1
667 1 52 ASN QD 1 55 GLN H 0.000 . 5.000 3.357 2.453 3.670 . 0 0 "[ . 1 . 2 ]" 1
668 1 52 ASN QD 1 55 GLN QB 6.000 . 6.000 3.794 2.145 4.463 . 0 0 "[ . 1 . 2 ]" 1
669 1 53 GLY H 1 54 LYS H 0.000 . 3.500 2.417 2.231 2.839 . 0 0 "[ . 1 . 2 ]" 1
670 1 53 GLY H 1 55 GLN H 0.000 . 5.000 3.386 3.216 3.705 . 0 0 "[ . 1 . 2 ]" 1
671 1 53 GLY H 1 55 GLN QB 6.000 . 6.000 5.426 5.359 5.499 . 0 0 "[ . 1 . 2 ]" 1
672 1 53 GLY QA 1 54 LYS H 0.000 . 5.000 2.840 2.779 2.875 . 0 0 "[ . 1 . 2 ]" 1
673 1 53 GLY QA 1 55 GLN H 0.000 . 5.000 4.389 4.316 4.418 . 0 0 "[ . 1 . 2 ]" 1
674 1 54 LYS H 1 54 LYS HB3 0.000 . 3.500 3.474 3.437 3.531 0.031 12 0 "[ . 1 . 2 ]" 1
675 1 54 LYS H 1 54 LYS QG 0.000 . 5.000 2.019 1.932 2.094 . 0 0 "[ . 1 . 2 ]" 1
676 1 54 LYS H 1 55 GLN H 0.000 . 2.700 1.808 1.785 1.821 . 0 0 "[ . 1 . 2 ]" 1
677 1 54 LYS H 1 55 GLN QB 0.000 . 5.000 3.872 3.659 3.968 . 0 0 "[ . 1 . 2 ]" 1
678 1 54 LYS H 1 55 GLN QG 0.000 . 5.000 4.543 4.470 4.690 . 0 0 "[ . 1 . 2 ]" 1
679 1 54 LYS HA 1 55 GLN H 3.500 . 3.500 3.535 3.509 3.546 0.046 5 0 "[ . 1 . 2 ]" 1
680 1 54 LYS HB2 1 55 GLN H 0.000 . 3.500 3.612 3.591 3.655 0.155 12 0 "[ . 1 . 2 ]" 1
681 1 54 LYS QG 1 55 GLN H 0.000 . 5.000 2.121 2.004 2.368 . 0 0 "[ . 1 . 2 ]" 1
682 1 55 GLN H 1 55 GLN QG 0.000 . 5.000 3.164 3.062 3.436 . 0 0 "[ . 1 . 2 ]" 1
683 1 55 GLN H 1 56 HIS H 0.000 . 5.000 4.495 4.475 4.526 . 0 0 "[ . 1 . 2 ]" 1
684 1 55 GLN H 1 57 VAL QG 0.000 . 6.000 4.463 4.394 4.494 . 0 0 "[ . 1 . 2 ]" 1
685 1 55 GLN HA 1 55 GLN QE 0.000 . 3.500 2.998 2.458 3.212 . 0 0 "[ . 1 . 2 ]" 1
686 1 55 GLN HA 1 55 GLN QG 0.000 . 3.500 2.996 2.417 3.225 . 0 0 "[ . 1 . 2 ]" 1
687 1 55 GLN HA 1 56 HIS H 0.000 . 3.500 2.288 2.249 2.317 . 0 0 "[ . 1 . 2 ]" 1
688 1 55 GLN QB 1 56 HIS H 0.000 . 3.500 3.080 2.834 3.173 . 0 0 "[ . 1 . 2 ]" 1
689 1 55 GLN QE 1 56 HIS H 0.000 . 5.000 1.874 1.824 1.916 . 0 0 "[ . 1 . 2 ]" 1
690 1 55 GLN QE 1 56 HIS HA 5.000 . 5.000 3.921 3.750 4.281 . 0 0 "[ . 1 . 2 ]" 1
691 1 55 GLN QE 1 56 HIS HB3 5.000 . 5.000 4.578 4.520 4.682 . 0 0 "[ . 1 . 2 ]" 1
692 1 55 GLN QE 1 57 VAL H 0.000 . 6.000 4.172 3.782 4.999 . 0 0 "[ . 1 . 2 ]" 1
693 1 55 GLN QE 1 57 VAL QG 6.000 . 6.000 3.151 2.876 3.811 . 0 0 "[ . 1 . 2 ]" 1
694 1 55 GLN QG 1 56 HIS H 0.000 . 5.000 3.317 2.978 4.058 . 0 0 "[ . 1 . 2 ]" 1
695 1 56 HIS H 1 56 HIS HB2 0.000 . 3.500 2.660 2.151 2.961 . 0 0 "[ . 1 . 2 ]" 1
696 1 56 HIS H 1 57 VAL H 0.000 . 5.000 4.254 4.148 4.405 . 0 0 "[ . 1 . 2 ]" 1
697 1 56 HIS HA 1 57 VAL H 0.000 . 3.500 2.281 2.259 2.314 . 0 0 "[ . 1 . 2 ]" 1
698 1 56 HIS HB3 1 57 VAL H 0.000 . 5.000 3.960 3.681 4.125 . 0 0 "[ . 1 . 2 ]" 1
699 1 57 VAL H 1 57 VAL HB 0.000 . 3.500 2.527 2.406 3.584 0.084 6 0 "[ . 1 . 2 ]" 1
700 1 57 VAL H 1 58 PRO QD 0.000 . 5.000 3.931 3.583 4.067 . 0 0 "[ . 1 . 2 ]" 1
701 1 57 VAL HA 1 58 PRO QD 0.000 . 3.500 1.927 1.902 2.001 . 0 0 "[ . 1 . 2 ]" 1
702 1 57 VAL HA 1 58 PRO QG 5.000 . 5.000 3.838 3.815 3.899 . 0 0 "[ . 1 . 2 ]" 1
703 1 58 PRO HA 1 59 VAL H 0.000 . 2.700 2.251 2.213 2.298 . 0 0 "[ . 1 . 2 ]" 1
704 1 58 PRO QB 1 59 VAL H 0.000 . 5.000 3.802 3.760 3.854 . 0 0 "[ . 1 . 2 ]" 1
705 1 58 PRO QB 1 60 TYR H 6.000 . 6.000 5.163 4.822 5.409 . 0 0 "[ . 1 . 2 ]" 1
706 1 58 PRO QD 1 59 VAL H 5.000 . 5.000 4.563 4.496 4.603 . 0 0 "[ . 1 . 2 ]" 1
707 1 59 VAL H 1 59 VAL HB 0.000 . 3.500 3.030 2.313 3.619 0.119 18 0 "[ . 1 . 2 ]" 1
708 1 59 VAL H 1 60 TYR H 0.000 . 5.000 4.447 4.368 4.508 . 0 0 "[ . 1 . 2 ]" 1
709 1 59 VAL HA 1 60 TYR H 0.000 . 2.700 2.225 2.195 2.253 . 0 0 "[ . 1 . 2 ]" 1
710 1 59 VAL HA 1 60 TYR HA 5.000 . 5.000 4.500 4.479 4.526 . 0 0 "[ . 1 . 2 ]" 1
711 1 59 VAL HA 1 60 TYR HB2 5.000 . 5.000 4.436 4.253 4.591 . 0 0 "[ . 1 . 2 ]" 1
712 1 59 VAL HB 1 60 TYR H 0.000 . 5.000 3.954 3.394 4.398 . 0 0 "[ . 1 . 2 ]" 1
713 1 59 VAL HB 1 73 PHE QE 0.000 . 5.000 4.070 3.248 4.542 . 0 0 "[ . 1 . 2 ]" 1
714 1 59 VAL HB 1 73 PHE HZ 5.000 . 5.000 5.062 5.004 5.133 0.133 7 0 "[ . 1 . 2 ]" 1
715 1 59 VAL QG 1 60 TYR H 0.000 . 5.000 3.287 2.730 3.721 . 0 0 "[ . 1 . 2 ]" 1
716 1 59 VAL QG 1 61 ILE H 0.000 . 5.000 3.781 3.741 3.806 . 0 0 "[ . 1 . 2 ]" 1
717 1 59 VAL QG 1 73 PHE HA 0.000 . 6.000 4.290 3.631 4.480 . 0 0 "[ . 1 . 2 ]" 1
718 1 59 VAL QG 1 73 PHE HB2 5.000 . 5.000 2.483 1.918 3.338 . 0 0 "[ . 1 . 2 ]" 1
719 1 59 VAL QG 1 73 PHE QE 6.000 . 6.000 2.987 2.339 3.489 . 0 0 "[ . 1 . 2 ]" 1
720 1 60 TYR H 1 60 TYR HB2 0.000 . 3.500 2.317 2.123 2.445 . 0 0 "[ . 1 . 2 ]" 1
721 1 60 TYR H 1 60 TYR QD 0.000 . 5.000 4.120 3.999 4.182 . 0 0 "[ . 1 . 2 ]" 1
722 1 60 TYR H 1 61 ILE H 0.000 . 5.000 4.296 4.187 4.401 . 0 0 "[ . 1 . 2 ]" 1
723 1 60 TYR HA 1 60 TYR QE 0.000 . 6.000 4.455 4.323 4.527 . 0 0 "[ . 1 . 2 ]" 1
724 1 60 TYR HA 1 61 ILE H 0.000 . 3.500 2.219 2.192 2.243 . 0 0 "[ . 1 . 2 ]" 1
725 1 60 TYR HA 1 61 ILE HA 5.000 . 5.000 4.514 4.482 4.533 . 0 0 "[ . 1 . 2 ]" 1
726 1 60 TYR HA 1 61 ILE MD 5.000 . 5.000 3.340 3.079 3.516 . 0 0 "[ . 1 . 2 ]" 1
727 1 60 TYR HB2 1 60 TYR QE 0.000 . 5.000 4.418 4.411 4.426 . 0 0 "[ . 1 . 2 ]" 1
728 1 60 TYR HB3 1 61 ILE H 0.000 . 5.000 4.289 4.196 4.365 . 0 0 "[ . 1 . 2 ]" 1
729 1 60 TYR QD 1 61 ILE H 0.000 . 5.000 3.381 3.115 3.692 . 0 0 "[ . 1 . 2 ]" 1
730 1 60 TYR QD 1 61 ILE HA 6.000 . 6.000 4.210 3.686 4.743 . 0 0 "[ . 1 . 2 ]" 1
731 1 60 TYR QD 1 62 THR HA 6.000 . 6.000 3.748 2.914 4.315 . 0 0 "[ . 1 . 2 ]" 1
732 1 60 TYR QD 1 62 THR HB 6.000 . 6.000 4.843 4.001 5.380 . 0 0 "[ . 1 . 2 ]" 1
733 1 60 TYR QD 1 62 THR MG 6.000 . 6.000 3.287 1.983 4.482 . 0 0 "[ . 1 . 2 ]" 1
734 1 60 TYR QE 1 61 ILE H 6.000 . 6.000 4.860 4.689 5.161 . 0 0 "[ . 1 . 2 ]" 1
735 1 60 TYR QE 1 62 THR H 6.000 . 6.000 4.636 3.062 5.463 . 0 0 "[ . 1 . 2 ]" 1
736 1 60 TYR QE 1 62 THR HA 0.000 . 6.000 3.501 2.864 4.144 . 0 0 "[ . 1 . 2 ]" 1
737 1 60 TYR QE 1 62 THR HB 0.000 . 6.000 5.336 5.189 5.474 . 0 0 "[ . 1 . 2 ]" 1
738 1 60 TYR QE 1 62 THR MG 5.000 . 5.000 3.548 3.281 3.728 . 0 0 "[ . 1 . 2 ]" 1
739 1 61 ILE H 1 61 ILE HB 0.000 . 3.500 2.317 2.109 2.560 . 0 0 "[ . 1 . 2 ]" 1
740 1 61 ILE HA 1 62 THR H 5.000 . 5.000 2.790 2.174 3.589 . 0 0 "[ . 1 . 2 ]" 1
741 1 61 ILE HA 1 65 MET H 5.000 . 5.000 4.469 3.862 4.844 . 0 0 "[ . 1 . 2 ]" 1
742 1 61 ILE HB 1 73 PHE QE 5.000 . 5.000 3.961 3.644 4.477 . 0 0 "[ . 1 . 2 ]" 1
743 1 61 ILE MD 1 73 PHE QE 6.000 . 6.000 3.523 2.663 4.058 . 0 0 "[ . 1 . 2 ]" 1
744 1 61 ILE MG 1 62 THR H 5.000 . 5.000 2.529 1.988 3.160 . 0 0 "[ . 1 . 2 ]" 1
745 1 61 ILE MG 1 63 GLU H 0.000 . 6.000 4.759 4.457 5.014 . 0 0 "[ . 1 . 2 ]" 1
746 1 61 ILE MG 1 63 GLU HA 5.000 . 5.000 4.064 3.697 4.252 . 0 0 "[ . 1 . 2 ]" 1
747 1 61 ILE MG 1 65 MET H 6.000 . 6.000 3.248 2.506 4.124 . 0 0 "[ . 1 . 2 ]" 1
748 1 61 ILE MG 1 65 MET HB2 5.000 . 5.000 2.759 1.871 4.095 . 0 0 "[ . 1 . 2 ]" 1
749 1 61 ILE MG 1 66 VAL H 0.000 . 6.000 2.730 2.321 3.268 . 0 0 "[ . 1 . 2 ]" 1
750 1 62 THR H 1 63 GLU H 0.000 . 5.000 4.409 4.197 4.660 . 0 0 "[ . 1 . 2 ]" 1
751 1 62 THR H 1 65 MET H 0.000 . 5.000 4.065 2.977 5.204 0.204 15 0 "[ . 1 . 2 ]" 1
752 1 62 THR HA 1 62 THR MG 0.000 . 3.500 2.286 2.111 2.603 . 0 0 "[ . 1 . 2 ]" 1
753 1 62 THR HA 1 63 GLU H 0.000 . 3.500 2.753 2.377 3.036 . 0 0 "[ . 1 . 2 ]" 1
754 1 62 THR HB 1 63 GLU H 0.000 . 3.500 2.644 2.069 3.518 0.018 20 0 "[ . 1 . 2 ]" 1
755 1 62 THR HB 1 63 GLU HA 5.000 . 5.000 4.873 4.670 5.108 0.108 16 0 "[ . 1 . 2 ]" 1
756 1 62 THR MG 1 63 GLU H 0.000 . 5.000 2.923 1.897 3.954 . 0 0 "[ . 1 . 2 ]" 1
757 1 62 THR MG 1 64 ASN H 5.000 . 5.000 4.022 2.586 4.292 . 0 0 "[ . 1 . 2 ]" 1
758 1 62 THR MG 1 65 MET H 0.000 . 6.000 4.534 3.666 5.004 . 0 0 "[ . 1 . 2 ]" 1
759 1 63 GLU H 1 63 GLU QB 0.000 . 3.500 2.308 2.098 2.702 . 0 0 "[ . 1 . 2 ]" 1
760 1 63 GLU H 1 63 GLU QG 0.000 . 5.000 3.349 1.874 4.070 . 0 0 "[ . 1 . 2 ]" 1
761 1 63 GLU H 1 64 ASN H 0.000 . 5.000 3.043 2.428 3.759 . 0 0 "[ . 1 . 2 ]" 1
762 1 63 GLU H 1 64 ASN QB 0.000 . 6.000 4.140 3.834 5.159 . 0 0 "[ . 1 . 2 ]" 1
763 1 63 GLU H 1 65 MET H 0.000 . 5.000 4.679 4.142 5.168 0.168 5 0 "[ . 1 . 2 ]" 1
764 1 63 GLU HA 1 64 ASN H 0.000 . 5.000 3.065 2.569 3.544 . 0 0 "[ . 1 . 2 ]" 1
765 1 63 GLU HA 1 64 ASN QB 0.000 . 6.000 4.677 4.343 5.117 . 0 0 "[ . 1 . 2 ]" 1
766 1 63 GLU HA 1 65 MET H 0.000 . 5.000 4.429 4.163 4.685 . 0 0 "[ . 1 . 2 ]" 1
767 1 63 GLU HA 1 66 VAL H 5.000 . 5.000 4.754 4.413 5.043 0.043 9 0 "[ . 1 . 2 ]" 1
768 1 63 GLU QB 1 64 ASN H 5.000 . 5.000 3.758 3.127 4.082 . 0 0 "[ . 1 . 2 ]" 1
769 1 63 GLU QB 1 64 ASN QB 5.000 . 5.000 3.798 3.439 4.073 . 0 0 "[ . 1 . 2 ]" 1
770 1 63 GLU QG 1 64 ASN H 0.000 . 5.000 4.063 2.215 4.496 . 0 0 "[ . 1 . 2 ]" 1
771 1 64 ASN H 1 65 MET H 0.000 . 3.500 2.054 1.814 2.659 . 0 0 "[ . 1 . 2 ]" 1
772 1 64 ASN H 1 66 VAL H 0.000 . 5.000 3.532 2.791 4.382 . 0 0 "[ . 1 . 2 ]" 1
773 1 64 ASN HA 1 65 MET H 0.000 . 3.500 3.390 3.041 3.601 0.101 8 0 "[ . 1 . 2 ]" 1
774 1 64 ASN HA 1 65 MET HA 5.000 . 5.000 4.663 4.545 4.766 . 0 0 "[ . 1 . 2 ]" 1
775 1 64 ASN HA 1 66 VAL H 5.000 . 5.000 4.113 3.701 4.432 . 0 0 "[ . 1 . 2 ]" 1
776 1 64 ASN QB 1 65 MET H 0.000 . 5.000 3.358 2.606 4.062 . 0 0 "[ . 1 . 2 ]" 1
777 1 64 ASN QB 1 65 MET HA 0.000 . 6.000 4.343 4.022 4.744 . 0 0 "[ . 1 . 2 ]" 1
778 1 64 ASN QB 1 66 VAL H 0.000 . 6.000 4.966 4.518 5.416 . 0 0 "[ . 1 . 2 ]" 1
779 1 64 ASN QD 1 65 MET H 0.000 . 5.000 4.090 3.095 4.531 . 0 0 "[ . 1 . 2 ]" 1
780 1 65 MET H 1 65 MET HB2 0.000 . 3.500 2.401 2.274 2.490 . 0 0 "[ . 1 . 2 ]" 1
781 1 65 MET H 1 65 MET QG 0.000 . 3.500 2.473 2.098 3.054 . 0 0 "[ . 1 . 2 ]" 1
782 1 65 MET H 1 66 VAL H 0.000 . 3.500 2.273 1.857 2.658 . 0 0 "[ . 1 . 2 ]" 1
783 1 65 MET H 1 66 VAL HA 0.000 . 5.000 4.882 4.594 5.042 0.042 14 0 "[ . 1 . 2 ]" 1
784 1 65 MET H 1 73 PHE QD 0.000 . 6.000 5.377 5.161 5.475 . 0 0 "[ . 1 . 2 ]" 1
785 1 65 MET H 1 73 PHE QE 5.000 . 5.000 4.184 3.632 4.508 . 0 0 "[ . 1 . 2 ]" 1
786 1 65 MET H 1 73 PHE HZ 5.000 . 5.000 5.072 5.014 5.109 0.109 17 0 "[ . 1 . 2 ]" 1
787 1 65 MET HA 1 66 VAL H 0.000 . 3.500 3.435 3.279 3.534 0.034 4 0 "[ . 1 . 2 ]" 1
788 1 65 MET HA 1 73 PHE QD 0.000 . 5.000 4.641 4.588 4.721 . 0 0 "[ . 1 . 2 ]" 1
789 1 65 MET HA 1 73 PHE QE 5.000 . 5.000 4.247 3.789 4.448 . 0 0 "[ . 1 . 2 ]" 1
790 1 65 MET HB2 1 66 VAL H 0.000 . 5.000 3.171 2.741 3.698 . 0 0 "[ . 1 . 2 ]" 1
791 1 65 MET HB2 1 73 PHE QD 5.000 . 5.000 3.173 2.769 3.385 . 0 0 "[ . 1 . 2 ]" 1
792 1 65 MET HB2 1 73 PHE QE 0.000 . 5.000 2.109 1.782 2.517 . 0 0 "[ . 1 . 2 ]" 1
793 1 65 MET HB3 1 73 PHE QD 5.000 . 5.000 2.537 2.225 2.910 . 0 0 "[ . 1 . 2 ]" 1
794 1 65 MET QG 1 66 VAL H 5.000 . 5.000 4.171 3.948 4.404 . 0 0 "[ . 1 . 2 ]" 1
795 1 65 MET QG 1 73 PHE QD 0.000 . 5.000 3.468 2.726 3.875 . 0 0 "[ . 1 . 2 ]" 1
796 1 66 VAL H 1 66 VAL HB 0.000 . 2.700 2.581 2.421 2.691 . 0 0 "[ . 1 . 2 ]" 1
797 1 66 VAL H 1 66 VAL QG 0.000 . 3.500 1.952 1.913 2.011 . 0 0 "[ . 1 . 2 ]" 1
798 1 66 VAL H 1 67 GLY H 0.000 . 5.000 4.672 4.639 4.694 . 0 0 "[ . 1 . 2 ]" 1
799 1 66 VAL HA 1 67 GLY H 0.000 . 3.500 2.409 2.362 2.456 . 0 0 "[ . 1 . 2 ]" 1
800 1 66 VAL HA 1 67 GLY QA 5.000 . 5.000 4.093 4.077 4.115 . 0 0 "[ . 1 . 2 ]" 1
801 1 66 VAL HA 1 68 HIS H 0.000 . 5.000 3.378 3.314 3.451 . 0 0 "[ . 1 . 2 ]" 1
802 1 66 VAL HA 1 68 HIS HD2 5.000 . 5.000 4.940 4.733 5.023 0.023 14 0 "[ . 1 . 2 ]" 1
803 1 66 VAL QG 1 67 GLY H 0.000 . 5.000 1.888 1.817 1.952 . 0 0 "[ . 1 . 2 ]" 1
804 1 66 VAL QG 1 68 HIS H 0.000 . 5.000 3.751 3.587 3.828 . 0 0 "[ . 1 . 2 ]" 1
805 1 66 VAL QG 1 68 HIS HD2 0.000 . 6.000 4.518 4.471 4.556 . 0 0 "[ . 1 . 2 ]" 1
806 1 67 GLY H 1 68 HIS H 0.000 . 3.500 2.419 2.272 2.654 . 0 0 "[ . 1 . 2 ]" 1
807 1 67 GLY H 1 68 HIS HA 0.000 . 5.000 4.876 4.783 5.013 0.013 5 0 "[ . 1 . 2 ]" 1
808 1 67 GLY H 1 68 HIS HB2 5.000 . 5.000 4.820 4.694 5.013 0.013 14 0 "[ . 1 . 2 ]" 1
809 1 67 GLY H 1 68 HIS HD2 0.000 . 5.000 4.117 3.941 4.318 . 0 0 "[ . 1 . 2 ]" 1
810 1 67 GLY QA 1 68 HIS H 0.000 . 3.500 2.951 2.902 2.989 . 0 0 "[ . 1 . 2 ]" 1
811 1 67 GLY QA 1 68 HIS HD2 5.000 . 5.000 2.430 2.294 2.583 . 0 0 "[ . 1 . 2 ]" 1
812 1 68 HIS H 1 68 HIS HB2 3.500 . 3.500 2.450 2.405 2.492 . 0 0 "[ . 1 . 2 ]" 1
813 1 68 HIS H 1 68 HIS HB3 0.000 . 3.500 3.665 3.639 3.692 0.192 7 0 "[ . 1 . 2 ]" 1
814 1 68 HIS H 1 68 HIS HD2 0.000 . 3.500 2.657 2.538 2.826 . 0 0 "[ . 1 . 2 ]" 1
815 1 68 HIS H 1 69 LYS H 0.000 . 5.000 2.920 2.812 3.035 . 0 0 "[ . 1 . 2 ]" 1
816 1 68 HIS H 1 69 LYS HA 6.000 . 6.000 4.483 4.402 4.577 . 0 0 "[ . 1 . 2 ]" 1
817 1 68 HIS H 1 72 GLU H 5.000 . 5.000 5.021 4.928 5.072 0.072 16 0 "[ . 1 . 2 ]" 1
818 1 68 HIS H 1 73 PHE QE 0.000 . 5.000 3.771 3.472 4.196 . 0 0 "[ . 1 . 2 ]" 1
819 1 68 HIS HA 1 69 LYS H 0.000 . 5.000 3.514 3.487 3.543 . 0 0 "[ . 1 . 2 ]" 1
820 1 68 HIS HB2 1 69 LYS H 0.000 . 3.500 1.906 1.882 1.929 . 0 0 "[ . 1 . 2 ]" 1
821 1 68 HIS HB2 1 69 LYS HA 5.000 . 5.000 4.642 4.621 4.671 . 0 0 "[ . 1 . 2 ]" 1
822 1 68 HIS HB2 1 69 LYS QD 5.000 . 5.000 4.245 2.822 4.459 . 0 0 "[ . 1 . 2 ]" 1
823 1 68 HIS HB2 1 70 LEU H 0.000 . 5.000 3.064 2.998 3.168 . 0 0 "[ . 1 . 2 ]" 1
824 1 68 HIS HB2 1 71 GLY H 3.500 . 3.500 3.561 3.529 3.597 0.097 18 0 "[ . 1 . 2 ]" 1
825 1 68 HIS HB2 1 71 GLY QA 0.000 . 5.000 4.480 4.457 4.537 . 0 0 "[ . 1 . 2 ]" 1
826 1 68 HIS HB2 1 73 PHE QD 5.000 . 5.000 4.539 4.428 4.673 . 0 0 "[ . 1 . 2 ]" 1
827 1 68 HIS HB2 1 73 PHE QE 5.000 . 5.000 3.519 3.156 3.795 . 0 0 "[ . 1 . 2 ]" 1
828 1 68 HIS HB3 1 69 LYS H 3.500 . 3.500 2.535 2.401 2.640 . 0 0 "[ . 1 . 2 ]" 1
829 1 68 HIS HB3 1 72 GLU H 0.000 . 5.000 3.781 3.522 3.968 . 0 0 "[ . 1 . 2 ]" 1
830 1 68 HIS HB3 1 72 GLU HB2 5.000 . 5.000 4.394 4.102 4.593 . 0 0 "[ . 1 . 2 ]" 1
831 1 68 HIS HD2 1 69 LYS H 0.000 . 5.000 4.744 4.693 4.835 . 0 0 "[ . 1 . 2 ]" 1
832 1 69 LYS H 1 69 LYS QD 0.000 . 5.000 3.275 2.152 3.535 . 0 0 "[ . 1 . 2 ]" 1
833 1 69 LYS H 1 69 LYS QG 0.000 . 3.500 2.438 2.333 3.264 . 0 0 "[ . 1 . 2 ]" 1
834 1 69 LYS H 1 70 LEU H 0.000 . 5.000 1.820 1.759 1.879 . 0 0 "[ . 1 . 2 ]" 1
835 1 69 LYS H 1 72 GLU H 0.000 . 5.000 3.542 3.456 3.611 . 0 0 "[ . 1 . 2 ]" 1
836 1 69 LYS H 1 72 GLU QG 0.000 . 5.000 3.974 3.756 4.233 . 0 0 "[ . 1 . 2 ]" 1
837 1 69 LYS H 1 73 PHE QD 0.000 . 5.000 4.157 4.035 4.314 . 0 0 "[ . 1 . 2 ]" 1
838 1 69 LYS H 1 73 PHE QE 0.000 . 5.000 2.900 2.650 3.074 . 0 0 "[ . 1 . 2 ]" 1
839 1 69 LYS H 1 73 PHE HZ 5.000 . 5.000 4.989 4.514 5.167 0.167 14 0 "[ . 1 . 2 ]" 1
840 1 69 LYS HA 1 69 LYS QD 0.000 . 5.000 3.831 3.646 3.884 . 0 0 "[ . 1 . 2 ]" 1
841 1 69 LYS HA 1 69 LYS QG 0.000 . 3.500 3.294 3.276 3.344 . 0 0 "[ . 1 . 2 ]" 1
842 1 69 LYS HA 1 70 LEU H 0.000 . 3.500 3.432 3.425 3.440 . 0 0 "[ . 1 . 2 ]" 1
843 1 69 LYS HA 1 70 LEU HA 5.000 . 5.000 4.768 4.751 4.789 . 0 0 "[ . 1 . 2 ]" 1
844 1 69 LYS HA 1 70 LEU QB 5.000 . 5.000 4.239 4.182 4.324 . 0 0 "[ . 1 . 2 ]" 1
845 1 69 LYS HA 1 71 GLY H 5.000 . 5.000 5.084 5.058 5.104 0.104 14 0 "[ . 1 . 2 ]" 1
846 1 69 LYS HA 1 72 GLU H 6.000 . 6.000 6.087 6.022 6.136 0.136 16 0 "[ . 1 . 2 ]" 1
847 1 69 LYS QD 1 70 LEU H 0.000 . 5.000 2.002 1.861 2.220 . 0 0 "[ . 1 . 2 ]" 1
848 1 69 LYS QD 1 70 LEU HA 5.000 . 5.000 3.884 3.738 4.499 . 0 0 "[ . 1 . 2 ]" 1
849 1 69 LYS QD 1 71 GLY H 5.000 . 5.000 1.832 1.775 2.048 . 0 0 "[ . 1 . 2 ]" 1
850 1 69 LYS QD 1 73 PHE H 6.000 . 6.000 5.440 5.403 5.460 . 0 0 "[ . 1 . 2 ]" 1
851 1 70 LEU H 1 70 LEU QD 0.000 . 5.000 3.577 3.470 3.692 . 0 0 "[ . 1 . 2 ]" 1
852 1 70 LEU H 1 70 LEU HG 0.000 . 3.500 2.963 2.708 3.133 . 0 0 "[ . 1 . 2 ]" 1
853 1 70 LEU H 1 71 GLY H 0.000 . 3.500 1.722 1.697 1.740 . 0 0 "[ . 1 . 2 ]" 1
854 1 70 LEU H 1 71 GLY QA 0.000 . 5.000 3.740 3.732 3.751 . 0 0 "[ . 1 . 2 ]" 1
855 1 70 LEU H 1 72 GLU H 0.000 . 5.000 3.075 3.026 3.120 . 0 0 "[ . 1 . 2 ]" 1
856 1 70 LEU H 1 73 PHE H 0.000 . 5.000 4.476 4.334 4.598 . 0 0 "[ . 1 . 2 ]" 1
857 1 70 LEU H 1 73 PHE QE 5.000 . 5.000 3.315 3.134 3.450 . 0 0 "[ . 1 . 2 ]" 1
858 1 70 LEU HA 1 71 GLY H 0.000 . 5.000 3.489 3.467 3.508 . 0 0 "[ . 1 . 2 ]" 1
859 1 70 LEU HA 1 72 GLU H 0.000 . 5.000 3.682 3.611 3.758 . 0 0 "[ . 1 . 2 ]" 1
860 1 70 LEU HA 1 73 PHE H 0.000 . 3.500 3.401 3.293 3.492 . 0 0 "[ . 1 . 2 ]" 1
861 1 70 LEU HA 1 73 PHE QE 0.000 . 5.000 2.938 2.595 3.181 . 0 0 "[ . 1 . 2 ]" 1
862 1 70 LEU HA 1 74 ALA H 5.000 . 5.000 4.477 4.017 4.753 . 0 0 "[ . 1 . 2 ]" 1
863 1 70 LEU QB 1 71 GLY H 5.000 . 5.000 3.715 3.675 3.786 . 0 0 "[ . 1 . 2 ]" 1
864 1 70 LEU QD 1 71 GLY H 6.000 . 6.000 3.282 3.072 3.355 . 0 0 "[ . 1 . 2 ]" 1
865 1 70 LEU QD 1 73 PHE H 6.000 . 6.000 4.293 4.119 4.453 . 0 0 "[ . 1 . 2 ]" 1
866 1 70 LEU QD 1 74 ALA H 5.000 . 5.000 3.690 3.529 3.736 . 0 0 "[ . 1 . 2 ]" 1
867 1 70 LEU HG 1 71 GLY H 0.000 . 3.500 2.373 2.215 2.443 . 0 0 "[ . 1 . 2 ]" 1
868 1 71 GLY H 1 72 GLU H 0.000 . 3.500 2.582 2.525 2.627 . 0 0 "[ . 1 . 2 ]" 1
869 1 71 GLY H 1 72 GLU QG 5.000 . 5.000 4.490 4.469 4.521 . 0 0 "[ . 1 . 2 ]" 1
870 1 71 GLY H 1 73 PHE H 0.000 . 5.000 4.069 4.015 4.123 . 0 0 "[ . 1 . 2 ]" 1
871 1 71 GLY H 1 74 ALA H 0.000 . 5.000 4.689 4.546 4.789 . 0 0 "[ . 1 . 2 ]" 1
872 1 71 GLY H 1 74 ALA MB 6.000 . 6.000 4.939 4.811 5.010 . 0 0 "[ . 1 . 2 ]" 1
873 1 71 GLY QA 1 72 GLU H 0.000 . 5.000 2.912 2.901 2.920 . 0 0 "[ . 1 . 2 ]" 1
874 1 71 GLY QA 1 73 PHE H 0.000 . 5.000 3.620 3.494 3.762 . 0 0 "[ . 1 . 2 ]" 1
875 1 71 GLY QA 1 74 ALA H 0.000 . 3.500 3.014 2.860 3.121 . 0 0 "[ . 1 . 2 ]" 1
876 1 72 GLU H 1 72 GLU HB2 0.000 . 3.500 2.120 2.078 2.154 . 0 0 "[ . 1 . 2 ]" 1
877 1 72 GLU H 1 72 GLU HB3 3.500 . 3.500 3.469 3.430 3.497 . 0 0 "[ . 1 . 2 ]" 1
878 1 72 GLU H 1 72 GLU QG 0.000 . 3.500 2.851 2.786 2.940 . 0 0 "[ . 1 . 2 ]" 1
879 1 72 GLU H 1 73 PHE H 0.000 . 3.500 2.279 2.261 2.303 . 0 0 "[ . 1 . 2 ]" 1
880 1 72 GLU H 1 73 PHE HA 0.000 . 5.000 5.032 5.015 5.054 0.054 19 0 "[ . 1 . 2 ]" 1
881 1 72 GLU H 1 73 PHE HB2 0.000 . 5.000 4.625 4.519 4.787 . 0 0 "[ . 1 . 2 ]" 1
882 1 72 GLU H 1 73 PHE QD 6.000 . 6.000 2.637 2.357 2.940 . 0 0 "[ . 1 . 2 ]" 1
883 1 72 GLU H 1 74 ALA H 0.000 . 3.500 3.656 3.619 3.688 0.188 10 0 "[ . 1 . 2 ]" 1
884 1 72 GLU H 1 74 ALA MB 0.000 . 6.000 5.029 5.011 5.045 . 0 0 "[ . 1 . 2 ]" 1
885 1 72 GLU HA 1 73 PHE H 0.000 . 3.500 3.435 3.404 3.456 . 0 0 "[ . 1 . 2 ]" 1
886 1 72 GLU HA 1 73 PHE HA 0.000 . 5.000 4.687 4.617 4.727 . 0 0 "[ . 1 . 2 ]" 1
887 1 72 GLU HA 1 74 ALA H 0.000 . 5.000 4.223 4.081 4.522 . 0 0 "[ . 1 . 2 ]" 1
888 1 72 GLU HB2 1 73 PHE H 0.000 . 3.500 3.075 2.959 3.169 . 0 0 "[ . 1 . 2 ]" 1
889 1 72 GLU HB2 1 73 PHE QD 5.000 . 5.000 3.116 2.890 3.384 . 0 0 "[ . 1 . 2 ]" 1
890 1 72 GLU HB2 1 73 PHE QE 5.000 . 5.000 2.882 2.673 3.126 . 0 0 "[ . 1 . 2 ]" 1
891 1 72 GLU HB2 1 74 ALA H 5.000 . 5.000 4.970 4.904 5.015 0.015 8 0 "[ . 1 . 2 ]" 1
892 1 72 GLU QG 1 73 PHE H 0.000 . 5.000 4.349 4.289 4.454 . 0 0 "[ . 1 . 2 ]" 1
893 1 73 PHE H 1 73 PHE HB2 0.000 . 2.700 2.606 2.513 2.789 0.089 17 0 "[ . 1 . 2 ]" 1
894 1 73 PHE H 1 73 PHE QD 5.000 . 5.000 1.866 1.696 2.159 . 0 0 "[ . 1 . 2 ]" 1
895 1 73 PHE H 1 74 ALA H 0.000 . 2.700 2.075 1.939 2.155 . 0 0 "[ . 1 . 2 ]" 1
896 1 73 PHE H 1 74 ALA HA 0.000 . 5.000 4.877 4.752 4.949 . 0 0 "[ . 1 . 2 ]" 1
897 1 73 PHE H 1 74 ALA MB 0.000 . 5.000 3.886 3.816 3.967 . 0 0 "[ . 1 . 2 ]" 1
898 1 73 PHE H 1 75 PRO QD 0.000 . 5.000 3.418 3.266 3.585 . 0 0 "[ . 1 . 2 ]" 1
899 1 73 PHE H 1 75 PRO QG 5.000 . 5.000 4.506 4.487 4.533 . 0 0 "[ . 1 . 2 ]" 1
900 1 73 PHE HA 1 74 ALA H 0.000 . 3.500 3.484 3.460 3.503 0.003 20 0 "[ . 1 . 2 ]" 1
901 1 73 PHE HA 1 75 PRO QD 0.000 . 5.000 3.181 3.095 3.289 . 0 0 "[ . 1 . 2 ]" 1
902 1 73 PHE HB2 1 74 ALA H 0.000 . 5.000 3.009 2.922 3.135 . 0 0 "[ . 1 . 2 ]" 1
903 1 73 PHE HB2 1 74 ALA MB 6.000 . 6.000 3.367 3.302 3.423 . 0 0 "[ . 1 . 2 ]" 1
904 1 73 PHE HB3 1 73 PHE QE 0.000 . 5.000 4.428 4.411 4.449 . 0 0 "[ . 1 . 2 ]" 1
905 1 74 ALA H 1 74 ALA MB 0.000 . 3.500 2.412 2.373 2.473 . 0 0 "[ . 1 . 2 ]" 1
906 1 74 ALA H 1 75 PRO QB 6.000 . 6.000 4.376 4.326 4.431 . 0 0 "[ . 1 . 2 ]" 1
907 1 74 ALA H 1 75 PRO QD 3.500 . 3.500 2.369 2.279 2.487 . 0 0 "[ . 1 . 2 ]" 1
908 1 74 ALA H 1 75 PRO QG 5.000 . 5.000 4.025 3.946 4.127 . 0 0 "[ . 1 . 2 ]" 1
909 1 74 ALA H 1 76 THR H 5.000 . 5.000 5.097 5.057 5.112 0.112 19 0 "[ . 1 . 2 ]" 1
910 1 74 ALA HA 1 75 PRO HA 5.000 . 5.000 4.684 4.652 4.706 . 0 0 "[ . 1 . 2 ]" 1
911 1 74 ALA HA 1 75 PRO QB 6.000 . 6.000 5.070 5.037 5.098 . 0 0 "[ . 1 . 2 ]" 1
912 1 74 ALA HA 1 75 PRO QD 0.000 . 3.500 2.517 2.462 2.560 . 0 0 "[ . 1 . 2 ]" 1
913 1 74 ALA HA 1 75 PRO QG 0.000 . 5.000 4.410 4.358 4.450 . 0 0 "[ . 1 . 2 ]" 1
914 1 74 ALA MB 1 75 PRO QD 0.000 . 5.000 3.552 3.544 3.562 . 0 0 "[ . 1 . 2 ]" 1
915 1 74 ALA MB 1 76 THR H 0.000 . 6.000 3.605 3.558 3.654 . 0 0 "[ . 1 . 2 ]" 1
916 1 75 PRO HA 1 76 THR H 0.000 . 2.700 2.757 2.694 2.855 0.155 5 0 "[ . 1 . 2 ]" 1
917 1 75 PRO HA 1 76 THR HA 6.000 . 6.000 4.676 4.443 4.890 . 0 0 "[ . 1 . 2 ]" 1
918 1 75 PRO QB 1 76 THR H 0.000 . 5.000 4.011 3.989 4.016 . 0 0 "[ . 1 . 2 ]" 1
919 1 75 PRO QD 1 76 THR H 0.000 . 5.000 3.644 3.335 3.813 . 0 0 "[ . 1 . 2 ]" 1
920 1 75 PRO QG 1 76 THR H 0.000 . 5.000 4.471 4.346 4.514 . 0 0 "[ . 1 . 2 ]" 1
921 1 76 THR H 1 76 THR HB 0.000 . 3.500 2.660 2.335 3.537 0.037 21 0 "[ . 1 . 2 ]" 1
922 1 76 THR H 1 77 ARG H 0.000 . 5.000 3.496 2.123 4.675 . 0 0 "[ . 1 . 2 ]" 1
923 1 76 THR HA 1 77 ARG H 0.000 . 3.500 2.827 2.211 3.581 0.081 3 0 "[ . 1 . 2 ]" 1
924 1 76 THR HB 1 77 ARG H 5.000 . 5.000 3.810 2.174 4.655 . 0 0 "[ . 1 . 2 ]" 1
925 1 76 THR MG 1 77 ARG H 0.000 . 6.000 3.143 2.175 4.238 . 0 0 "[ . 1 . 2 ]" 1
926 1 76 THR MG 1 77 ARG QB 6.000 . 6.000 3.619 2.071 4.453 . 0 0 "[ . 1 . 2 ]" 1
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