NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502008 |
2l7x   |
17383 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l7x
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 1095
_Distance_constraint_stats_list.Viol_count 216
_Distance_constraint_stats_list.Viol_total 20.257
_Distance_constraint_stats_list.Viol_max 0.332
_Distance_constraint_stats_list.Viol_rms 0.0492
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0185
_Distance_constraint_stats_list.Viol_average_violations_only 0.0938
_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 GLU 0.000 0.000 . 0 "[ ]"
1 3 LEU 0.110 0.061 1 0 "[ ]"
1 4 LYS 0.142 0.061 1 0 "[ ]"
1 5 PRO 0.031 0.031 1 0 "[ ]"
1 6 GLN 0.131 0.131 1 0 "[ ]"
1 7 THR 0.422 0.131 1 0 "[ ]"
1 8 CYS 0.210 0.107 1 0 "[ ]"
1 9 THR 0.307 0.107 1 0 "[ ]"
1 10 ILE 0.922 0.179 1 0 "[ ]"
1 11 CYS 0.497 0.179 1 0 "[ ]"
1 12 GLU 0.497 0.193 1 0 "[ ]"
1 13 THR 0.380 0.280 1 0 "[ ]"
1 14 THR 0.012 0.012 1 0 "[ ]"
1 15 PRO 0.288 0.155 1 0 "[ ]"
1 16 VAL 0.453 0.187 1 0 "[ ]"
1 17 ASN 0.820 0.212 1 0 "[ ]"
1 18 ALA 0.098 0.098 1 0 "[ ]"
1 19 ILE 0.283 0.140 1 0 "[ ]"
1 20 ASP 0.093 0.047 1 0 "[ ]"
1 21 ALA 0.210 0.091 1 0 "[ ]"
1 22 GLU 0.734 0.229 1 0 "[ ]"
1 23 MET 0.679 0.199 1 0 "[ ]"
1 24 HIS 1.548 0.280 1 0 "[ ]"
1 25 ASP 1.052 0.313 1 0 "[ ]"
1 26 LEU 1.866 0.332 1 0 "[ ]"
1 27 ASN 1.536 0.320 1 0 "[ ]"
1 28 CYS 0.860 0.313 1 0 "[ ]"
1 29 SER 1.531 0.332 1 0 "[ ]"
1 30 TYR 0.369 0.112 1 0 "[ ]"
1 31 ASN 0.870 0.318 1 0 "[ ]"
1 32 ILE 0.753 0.257 1 0 "[ ]"
1 33 CYS 0.177 0.068 1 0 "[ ]"
1 34 PRO 0.065 0.038 1 0 "[ ]"
1 35 TYR 0.369 0.158 1 0 "[ ]"
1 36 CYS 0.295 0.154 1 0 "[ ]"
1 37 ALA 0.204 0.129 1 0 "[ ]"
1 38 SER 0.606 0.200 1 0 "[ ]"
1 39 ARG 0.796 0.200 1 0 "[ ]"
1 40 LEU 1.026 0.222 1 0 "[ ]"
1 41 THR 0.302 0.191 1 0 "[ ]"
1 42 SER 0.281 0.191 1 0 "[ ]"
1 43 ASP 0.188 0.092 1 0 "[ ]"
1 44 GLY 0.263 0.165 1 0 "[ ]"
1 45 LEU 1.150 0.233 1 0 "[ ]"
1 46 ALA 0.397 0.179 1 0 "[ ]"
1 47 ARG 0.224 0.098 1 0 "[ ]"
1 48 HIS 0.751 0.233 1 0 "[ ]"
1 49 VAL 1.407 0.222 1 0 "[ ]"
1 50 THR 0.311 0.098 1 0 "[ ]"
1 51 GLN 0.200 0.098 1 0 "[ ]"
1 52 CYS 0.562 0.208 1 0 "[ ]"
1 53 PRO 0.473 0.208 1 0 "[ ]"
1 54 LYS 0.395 0.150 1 0 "[ ]"
1 55 ARG 0.984 0.180 1 0 "[ ]"
1 56 LYS 0.672 0.265 1 0 "[ ]"
1 57 GLU 0.231 0.098 1 0 "[ ]"
1 58 LYS 0.640 0.241 1 0 "[ ]"
1 59 VAL 1.633 0.265 1 0 "[ ]"
1 60 GLU 0.145 0.097 1 0 "[ ]"
1 61 GLU 0.865 0.217 1 0 "[ ]"
1 62 THR 0.346 0.135 1 0 "[ ]"
1 63 GLU 0.045 0.045 1 0 "[ ]"
1 64 LEU 0.562 0.177 1 0 "[ ]"
1 65 TYR 0.549 0.165 1 0 "[ ]"
1 66 LEU 0.119 0.119 1 0 "[ ]"
1 67 ASN 0.510 0.176 1 0 "[ ]"
1 68 LEU 0.627 0.176 1 0 "[ ]"
1 69 GLU 0.350 0.167 1 0 "[ ]"
1 70 ARG 0.232 0.104 1 0 "[ ]"
1 71 ILE 0.170 0.066 1 0 "[ ]"
1 72 PRO 0.258 0.135 1 0 "[ ]"
1 73 TRP 0.198 0.135 1 0 "[ ]"
1 74 VAL 0.217 0.152 1 0 "[ ]"
1 75 VAL 0.181 0.152 1 0 "[ ]"
1 76 ARG 0.038 0.026 1 0 "[ ]"
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 GLU H 1 2 GLU HB2 . . 2.700 2.680 2.680 2.680 . 0 0 "[ ]" 1
2 1 2 GLU HA 1 2 GLU HB3 . . 2.700 2.553 2.553 2.553 . 0 0 "[ ]" 1
3 1 2 GLU HA 1 3 LEU H . . 2.700 2.404 2.404 2.404 . 0 0 "[ ]" 1
4 1 2 GLU HA 1 3 LEU HA . . 4.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
5 1 2 GLU HB2 1 3 LEU H . . 4.500 3.727 3.727 3.727 . 0 0 "[ ]" 1
6 1 2 GLU HB3 1 3 LEU H . . 4.500 2.471 2.471 2.471 . 0 0 "[ ]" 1
7 1 2 GLU QG 1 3 LEU H . . 5.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
8 1 3 LEU H 1 3 LEU HB2 . . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
9 1 3 LEU H 1 3 LEU HB3 . . 2.700 2.419 2.419 2.419 . 0 0 "[ ]" 1
10 1 3 LEU H 1 4 LYS H . . 4.500 4.549 4.549 4.549 0.049 1 0 "[ ]" 1
11 1 3 LEU H 1 4 LYS HA . . 5.500 5.561 5.561 5.561 0.061 1 0 "[ ]" 1
12 1 3 LEU HA 1 3 LEU HB2 . . 2.700 2.478 2.478 2.478 . 0 0 "[ ]" 1
13 1 3 LEU HA 1 4 LYS H . . 2.700 2.149 2.149 2.149 . 0 0 "[ ]" 1
14 1 3 LEU HA 1 4 LYS HA . . 4.500 4.367 4.367 4.367 . 0 0 "[ ]" 1
15 1 3 LEU QD 1 4 LYS H . . 4.500 2.453 2.453 2.453 . 0 0 "[ ]" 1
16 1 4 LYS H 1 4 LYS HB2 . . 3.500 2.391 2.391 2.391 . 0 0 "[ ]" 1
17 1 4 LYS H 1 4 LYS HB3 . . 2.700 2.641 2.641 2.641 . 0 0 "[ ]" 1
18 1 4 LYS HA 1 4 LYS HB2 . . 2.700 2.492 2.492 2.492 . 0 0 "[ ]" 1
19 1 4 LYS HA 1 5 PRO HD2 . . 2.700 2.337 2.337 2.337 . 0 0 "[ ]" 1
20 1 4 LYS HA 1 5 PRO HD3 . . 3.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
21 1 4 LYS HB2 1 5 PRO QD . . 4.500 3.910 3.910 3.910 . 0 0 "[ ]" 1
22 1 4 LYS HB3 1 5 PRO QD . . 4.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
23 1 4 LYS QE 1 5 PRO QD . . 4.500 4.531 4.531 4.531 0.031 1 0 "[ ]" 1
24 1 4 LYS QG 1 5 PRO QD . . 5.500 2.263 2.263 2.263 . 0 0 "[ ]" 1
25 1 5 PRO HA 1 6 GLN H . . 2.700 2.478 2.478 2.478 . 0 0 "[ ]" 1
26 1 5 PRO HA 1 6 GLN HA . . 4.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
27 1 5 PRO QB 1 6 GLN H . . 3.500 2.358 2.358 2.358 . 0 0 "[ ]" 1
28 1 5 PRO QB 1 21 ALA MB . . 3.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
29 1 5 PRO QD 1 6 GLN H . . 5.500 4.837 4.837 4.837 . 0 0 "[ ]" 1
30 1 5 PRO QG 1 21 ALA MB . . 3.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
31 1 6 GLN H 1 6 GLN HB2 . . 2.700 2.340 2.340 2.340 . 0 0 "[ ]" 1
32 1 6 GLN H 1 6 GLN HB3 . . 2.700 2.521 2.521 2.521 . 0 0 "[ ]" 1
33 1 6 GLN HA 1 6 GLN HB2 . . 2.700 2.531 2.531 2.531 . 0 0 "[ ]" 1
34 1 6 GLN HA 1 7 THR H . . 2.700 2.242 2.242 2.242 . 0 0 "[ ]" 1
35 1 6 GLN HA 1 7 THR HA . . 4.500 4.382 4.382 4.382 . 0 0 "[ ]" 1
36 1 6 GLN HA 1 7 THR HB . . 5.500 5.631 5.631 5.631 0.131 1 0 "[ ]" 1
37 1 6 GLN HA 1 14 THR MG . . 5.500 4.364 4.364 4.364 . 0 0 "[ ]" 1
38 1 6 GLN HB2 1 7 THR H . . 4.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
39 1 6 GLN HB3 1 7 THR H . . 4.500 3.782 3.782 3.782 . 0 0 "[ ]" 1
40 1 6 GLN QG 1 7 THR H . . 3.500 2.227 2.227 2.227 . 0 0 "[ ]" 1
41 1 7 THR H 1 7 THR MG . . 2.700 2.718 2.718 2.718 0.018 1 0 "[ ]" 1
42 1 7 THR H 1 8 CYS H . . 4.500 4.607 4.607 4.607 0.107 1 0 "[ ]" 1
43 1 7 THR HA 1 7 THR HB . . 2.700 2.713 2.713 2.713 0.013 1 0 "[ ]" 1
44 1 7 THR HA 1 7 THR MG . . 2.700 2.216 2.216 2.216 . 0 0 "[ ]" 1
45 1 7 THR HA 1 8 CYS H . . 2.700 2.202 2.202 2.202 . 0 0 "[ ]" 1
46 1 7 THR HA 1 8 CYS HB2 . . 5.500 4.661 4.661 4.661 . 0 0 "[ ]" 1
47 1 7 THR HA 1 14 THR HA . . 2.700 2.305 2.305 2.305 . 0 0 "[ ]" 1
48 1 7 THR HA 1 14 THR MG . . 4.500 2.618 2.618 2.618 . 0 0 "[ ]" 1
49 1 7 THR HA 1 15 PRO QD . . 3.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
50 1 7 THR HB 1 9 THR MG . . 4.500 4.584 4.584 4.584 0.084 1 0 "[ ]" 1
51 1 7 THR HB 1 12 GLU HA . . 4.500 3.343 3.343 3.343 . 0 0 "[ ]" 1
52 1 7 THR HB 1 12 GLU HB3 . . 5.500 5.556 5.556 5.556 0.056 1 0 "[ ]" 1
53 1 7 THR HB 1 14 THR HA . . 5.500 4.273 4.273 4.273 . 0 0 "[ ]" 1
54 1 7 THR HB 1 14 THR MG . . 4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1
55 1 7 THR HB 1 15 PRO QD . . 5.500 4.407 4.407 4.407 . 0 0 "[ ]" 1
56 1 7 THR MG 1 8 CYS H . . 5.500 3.206 3.206 3.206 . 0 0 "[ ]" 1
57 1 7 THR MG 1 12 GLU QG . . 5.500 3.028 3.028 3.028 . 0 0 "[ ]" 1
58 1 7 THR MG 1 13 THR H . . 5.500 5.238 5.238 5.238 . 0 0 "[ ]" 1
59 1 7 THR MG 1 14 THR HA . . 3.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
60 1 7 THR MG 1 14 THR HB . . 4.500 4.015 4.015 4.015 . 0 0 "[ ]" 1
61 1 7 THR MG 1 15 PRO QD . . 5.500 3.520 3.520 3.520 . 0 0 "[ ]" 1
62 1 8 CYS H 1 8 CYS HB2 . . 2.700 2.692 2.692 2.692 . 0 0 "[ ]" 1
63 1 8 CYS H 1 8 CYS HB3 . . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1
64 1 8 CYS H 1 9 THR H . . 4.500 4.528 4.528 4.528 0.028 1 0 "[ ]" 1
65 1 8 CYS H 1 9 THR HA . . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
66 1 8 CYS HA 1 8 CYS HB2 . . 2.700 2.423 2.423 2.423 . 0 0 "[ ]" 1
67 1 8 CYS HA 1 9 THR H . . 3.500 2.131 2.131 2.131 . 0 0 "[ ]" 1
68 1 8 CYS HA 1 9 THR MG . . 4.500 3.871 3.871 3.871 . 0 0 "[ ]" 1
69 1 8 CYS HA 1 10 ILE H . . 4.500 3.726 3.726 3.726 . 0 0 "[ ]" 1
70 1 8 CYS HA 1 12 GLU H . . 5.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
71 1 8 CYS HA 1 24 HIS QB . . 5.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
72 1 8 CYS QB 1 24 HIS HE1 . . 5.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
73 1 8 CYS HB2 1 9 THR H . . 4.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
74 1 8 CYS HB2 1 10 ILE H . . 5.500 4.447 4.447 4.447 . 0 0 "[ ]" 1
75 1 8 CYS HB2 1 11 CYS H . . 5.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
76 1 8 CYS HB2 1 12 GLU H . . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
77 1 8 CYS HB2 1 13 THR H . . 5.500 4.385 4.385 4.385 . 0 0 "[ ]" 1
78 1 8 CYS HB2 1 13 THR HB . . 5.500 4.718 4.718 4.718 . 0 0 "[ ]" 1
79 1 8 CYS HB2 1 15 PRO QD . . 5.500 2.671 2.671 2.671 . 0 0 "[ ]" 1
80 1 8 CYS HB2 1 24 HIS HB2 . . 5.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
81 1 8 CYS HB2 1 24 HIS HB3 . . 5.500 3.026 3.026 3.026 . 0 0 "[ ]" 1
82 1 8 CYS HB3 1 9 THR H . . 5.500 4.304 4.304 4.304 . 0 0 "[ ]" 1
83 1 8 CYS HB3 1 10 ILE H . . 4.500 3.732 3.732 3.732 . 0 0 "[ ]" 1
84 1 8 CYS HB3 1 11 CYS H . . 4.500 3.369 3.369 3.369 . 0 0 "[ ]" 1
85 1 8 CYS HB3 1 12 GLU H . . 4.500 3.065 3.065 3.065 . 0 0 "[ ]" 1
86 1 8 CYS HB3 1 13 THR H . . 4.500 2.866 2.866 2.866 . 0 0 "[ ]" 1
87 1 8 CYS HB3 1 13 THR HB . . 4.500 4.016 4.016 4.016 . 0 0 "[ ]" 1
88 1 8 CYS HB3 1 15 PRO QD . . 5.500 3.397 3.397 3.397 . 0 0 "[ ]" 1
89 1 8 CYS HB3 1 24 HIS HB2 . . 5.500 5.572 5.572 5.572 0.072 1 0 "[ ]" 1
90 1 8 CYS HB3 1 24 HIS HB3 . . 4.500 4.425 4.425 4.425 . 0 0 "[ ]" 1
91 1 9 THR H 1 9 THR MG . . 2.700 2.636 2.636 2.636 . 0 0 "[ ]" 1
92 1 9 THR H 1 10 ILE H . . 2.700 2.731 2.731 2.731 0.031 1 0 "[ ]" 1
93 1 9 THR H 1 10 ILE HB . . 5.500 4.829 4.829 4.829 . 0 0 "[ ]" 1
94 1 9 THR H 1 10 ILE HG12 . . 5.500 4.094 4.094 4.094 . 0 0 "[ ]" 1
95 1 9 THR H 1 10 ILE MG . . 5.500 5.554 5.554 5.554 0.054 1 0 "[ ]" 1
96 1 9 THR H 1 25 ASP HA . . 5.500 4.944 4.944 4.944 . 0 0 "[ ]" 1
97 1 9 THR HA 1 9 THR HB . . 2.700 2.655 2.655 2.655 . 0 0 "[ ]" 1
98 1 9 THR HA 1 9 THR MG . . 2.700 2.214 2.214 2.214 . 0 0 "[ ]" 1
99 1 9 THR HA 1 12 GLU H . . 4.500 4.468 4.468 4.468 . 0 0 "[ ]" 1
100 1 9 THR HB 1 10 ILE H . . 4.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
101 1 9 THR HB 1 10 ILE MD . . 4.500 4.607 4.607 4.607 0.107 1 0 "[ ]" 1
102 1 10 ILE H 1 10 ILE HB . . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1
103 1 10 ILE H 1 11 CYS H . . 2.700 2.292 2.292 2.292 . 0 0 "[ ]" 1
104 1 10 ILE H 1 12 GLU H . . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
105 1 10 ILE HA 1 10 ILE MG . . 2.700 2.182 2.182 2.182 . 0 0 "[ ]" 1
106 1 10 ILE HA 1 11 CYS H . . 4.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
107 1 10 ILE HA 1 45 LEU MD1 . . 4.500 4.677 4.677 4.677 0.177 1 0 "[ ]" 1
108 1 10 ILE HB 1 11 CYS H . . 3.500 2.498 2.498 2.498 . 0 0 "[ ]" 1
109 1 10 ILE HB 1 12 GLU H . . 5.500 4.578 4.578 4.578 . 0 0 "[ ]" 1
110 1 10 ILE HB 1 28 CYS HA . . 4.500 4.393 4.393 4.393 . 0 0 "[ ]" 1
111 1 10 ILE HB 1 28 CYS HB2 . . 4.500 2.349 2.349 2.349 . 0 0 "[ ]" 1
112 1 10 ILE HB 1 28 CYS HB3 . . 3.500 1.976 1.976 1.976 . 0 0 "[ ]" 1
113 1 10 ILE HB 1 29 SER H . . 5.500 4.752 4.752 4.752 . 0 0 "[ ]" 1
114 1 10 ILE HB 1 29 SER HA . . 5.500 5.077 5.077 5.077 . 0 0 "[ ]" 1
115 1 10 ILE HB 1 29 SER HB2 . . 5.500 5.517 5.517 5.517 0.017 1 0 "[ ]" 1
116 1 10 ILE MD 1 25 ASP HA . . 5.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
117 1 10 ILE MD 1 28 CYS H . . 5.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
118 1 10 ILE MD 1 28 CYS HA . . 4.500 4.470 4.470 4.470 . 0 0 "[ ]" 1
119 1 10 ILE MD 1 28 CYS HB2 . . 4.500 2.170 2.170 2.170 . 0 0 "[ ]" 1
120 1 10 ILE MD 1 28 CYS HB3 . . 4.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
121 1 10 ILE MD 1 29 SER H . . 4.500 2.710 2.710 2.710 . 0 0 "[ ]" 1
122 1 10 ILE MD 1 29 SER HA . . 3.500 2.698 2.698 2.698 . 0 0 "[ ]" 1
123 1 10 ILE MD 1 29 SER HB2 . . 3.500 2.395 2.395 2.395 . 0 0 "[ ]" 1
124 1 10 ILE MD 1 29 SER HB3 . . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
125 1 10 ILE QG 1 29 SER HA . . 5.500 4.671 4.671 4.671 . 0 0 "[ ]" 1
126 1 10 ILE QG 1 29 SER HB2 . . 5.500 4.519 4.519 4.519 . 0 0 "[ ]" 1
127 1 10 ILE QG 1 29 SER HB3 . . 5.500 5.632 5.632 5.632 0.132 1 0 "[ ]" 1
128 1 10 ILE HG12 1 11 CYS H . . 4.500 4.679 4.679 4.679 0.179 1 0 "[ ]" 1
129 1 10 ILE HG12 1 29 SER H . . 5.500 5.639 5.639 5.639 0.139 1 0 "[ ]" 1
130 1 10 ILE HG13 1 28 CYS HB2 . . 5.500 3.392 3.392 3.392 . 0 0 "[ ]" 1
131 1 10 ILE HG13 1 28 CYS HB3 . . 5.500 4.022 4.022 4.022 . 0 0 "[ ]" 1
132 1 10 ILE MG 1 11 CYS H . . 4.500 3.759 3.759 3.759 . 0 0 "[ ]" 1
133 1 10 ILE MG 1 11 CYS HA . . 4.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
134 1 10 ILE MG 1 28 CYS HA . . 4.500 3.695 3.695 3.695 . 0 0 "[ ]" 1
135 1 10 ILE MG 1 28 CYS HB2 . . 4.500 2.843 2.843 2.843 . 0 0 "[ ]" 1
136 1 10 ILE MG 1 28 CYS HB3 . . 4.500 2.200 2.200 2.200 . 0 0 "[ ]" 1
137 1 10 ILE MG 1 29 SER HA . . 4.500 2.646 2.646 2.646 . 0 0 "[ ]" 1
138 1 10 ILE MG 1 29 SER HB2 . . 4.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
139 1 10 ILE MG 1 29 SER HB3 . . 4.500 4.538 4.538 4.538 0.038 1 0 "[ ]" 1
140 1 10 ILE MG 1 45 LEU MD1 . . 4.500 2.808 2.808 2.808 . 0 0 "[ ]" 1
141 1 11 CYS H 1 11 CYS HB3 . . 2.700 2.730 2.730 2.730 0.030 1 0 "[ ]" 1
142 1 11 CYS H 1 12 GLU H . . 3.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
143 1 11 CYS H 1 12 GLU HA . . 4.500 4.357 4.357 4.357 . 0 0 "[ ]" 1
144 1 11 CYS H 1 12 GLU QG . . 5.500 5.531 5.531 5.531 0.031 1 0 "[ ]" 1
145 1 11 CYS H 1 45 LEU MD1 . . 5.500 3.610 3.610 3.610 . 0 0 "[ ]" 1
146 1 11 CYS H 1 49 VAL HB . . 5.500 5.546 5.546 5.546 0.046 1 0 "[ ]" 1
147 1 11 CYS H 1 49 VAL MG2 . . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
148 1 11 CYS HA 1 11 CYS QB . . 2.700 2.142 2.142 2.142 . 0 0 "[ ]" 1
149 1 11 CYS HA 1 12 GLU H . . 4.500 3.376 3.376 3.376 . 0 0 "[ ]" 1
150 1 11 CYS HA 1 45 LEU HB2 . . 5.500 5.275 5.275 5.275 . 0 0 "[ ]" 1
151 1 11 CYS HA 1 45 LEU HB3 . . 4.500 4.588 4.588 4.588 0.088 1 0 "[ ]" 1
152 1 11 CYS HA 1 45 LEU MD1 . . 4.500 3.194 3.194 3.194 . 0 0 "[ ]" 1
153 1 11 CYS HA 1 46 ALA H . . 5.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
154 1 11 CYS HA 1 46 ALA HA . . 4.500 2.757 2.757 2.757 . 0 0 "[ ]" 1
155 1 11 CYS HA 1 46 ALA MB . . 3.500 2.633 2.633 2.633 . 0 0 "[ ]" 1
156 1 11 CYS HA 1 49 VAL HB . . 4.500 4.603 4.603 4.603 0.103 1 0 "[ ]" 1
157 1 11 CYS HA 1 49 VAL MG1 . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
158 1 11 CYS HA 1 49 VAL MG2 . . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
159 1 11 CYS QB 1 46 ALA HA . . 5.500 2.292 2.292 2.292 . 0 0 "[ ]" 1
160 1 11 CYS QB 1 46 ALA MB . . 5.500 3.552 3.552 3.552 . 0 0 "[ ]" 1
161 1 11 CYS HB2 1 12 GLU H . . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
162 1 11 CYS HB2 1 13 THR H . . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
163 1 11 CYS HB2 1 13 THR HB . . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
164 1 11 CYS HB2 1 45 LEU MD1 . . 4.500 2.870 2.870 2.870 . 0 0 "[ ]" 1
165 1 11 CYS HB2 1 46 ALA MB . . 4.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
166 1 11 CYS HB2 1 49 VAL MG1 . . 5.500 3.674 3.674 3.674 . 0 0 "[ ]" 1
167 1 11 CYS HB2 1 49 VAL MG2 . . 4.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
168 1 11 CYS HB3 1 12 GLU H . . 5.500 4.262 4.262 4.262 . 0 0 "[ ]" 1
169 1 11 CYS HB3 1 13 THR H . . 5.500 4.302 4.302 4.302 . 0 0 "[ ]" 1
170 1 11 CYS HB3 1 13 THR HB . . 5.500 4.958 4.958 4.958 . 0 0 "[ ]" 1
171 1 11 CYS HB3 1 45 LEU MD1 . . 5.500 1.991 1.991 1.991 . 0 0 "[ ]" 1
172 1 11 CYS HB3 1 46 ALA MB . . 5.500 4.612 4.612 4.612 . 0 0 "[ ]" 1
173 1 11 CYS HB3 1 49 VAL MG1 . . 5.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
174 1 11 CYS HB3 1 49 VAL MG2 . . 5.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
175 1 12 GLU H 1 12 GLU HB2 . . 2.700 2.893 2.893 2.893 0.193 1 0 "[ ]" 1
176 1 12 GLU H 1 13 THR H . . 4.500 2.987 2.987 2.987 . 0 0 "[ ]" 1
177 1 12 GLU HA 1 12 GLU HB3 . . 2.700 2.875 2.875 2.875 0.175 1 0 "[ ]" 1
178 1 12 GLU HA 1 13 THR H . . 3.500 3.180 3.180 3.180 . 0 0 "[ ]" 1
179 1 12 GLU HA 1 46 ALA MB . . 5.500 5.542 5.542 5.542 0.042 1 0 "[ ]" 1
180 1 12 GLU QB 1 13 THR H . . 5.500 3.707 3.707 3.707 . 0 0 "[ ]" 1
181 1 12 GLU QG 1 13 THR H . . 5.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
182 1 13 THR H 1 13 THR HB . . 2.700 2.536 2.536 2.536 . 0 0 "[ ]" 1
183 1 13 THR H 1 14 THR H . . 4.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
184 1 13 THR H 1 14 THR HA . . 5.500 5.255 5.255 5.255 . 0 0 "[ ]" 1
185 1 13 THR H 1 49 VAL MG1 . . 5.500 4.111 4.111 4.111 . 0 0 "[ ]" 1
186 1 13 THR HA 1 13 THR MG . . 2.700 2.315 2.315 2.315 . 0 0 "[ ]" 1
187 1 13 THR HA 1 14 THR H . . 2.700 2.206 2.206 2.206 . 0 0 "[ ]" 1
188 1 13 THR HA 1 14 THR HA . . 4.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
189 1 13 THR HA 1 14 THR HB . . 5.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
190 1 13 THR HA 1 24 HIS HE1 . . 4.500 4.780 4.780 4.780 0.280 1 0 "[ ]" 1
191 1 13 THR HA 1 49 VAL HB . . 5.500 5.372 5.372 5.372 . 0 0 "[ ]" 1
192 1 13 THR HA 1 49 VAL MG1 . . 4.500 4.560 4.560 4.560 0.060 1 0 "[ ]" 1
193 1 13 THR HA 1 50 THR MG . . 5.500 4.567 4.567 4.567 . 0 0 "[ ]" 1
194 1 13 THR HA 1 55 ARG QD . . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
195 1 13 THR HB 1 24 HIS HE1 . . 2.700 1.889 1.889 1.889 . 0 0 "[ ]" 1
196 1 13 THR HB 1 49 VAL HB . . 4.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
197 1 13 THR HB 1 49 VAL MG1 . . 3.500 2.327 2.327 2.327 . 0 0 "[ ]" 1
198 1 13 THR HB 1 49 VAL MG2 . . 4.500 4.307 4.307 4.307 . 0 0 "[ ]" 1
199 1 13 THR HB 1 55 ARG QD . . 4.500 4.454 4.454 4.454 . 0 0 "[ ]" 1
200 1 13 THR MG 1 15 PRO HA . . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
201 1 13 THR MG 1 49 VAL HA . . 5.500 4.274 4.274 4.274 . 0 0 "[ ]" 1
202 1 13 THR MG 1 49 VAL MG1 . . 4.500 2.202 2.202 2.202 . 0 0 "[ ]" 1
203 1 13 THR MG 1 49 VAL MG2 . . 5.500 4.573 4.573 4.573 . 0 0 "[ ]" 1
204 1 13 THR MG 1 50 THR HA . . 4.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
205 1 14 THR HA 1 14 THR MG . . 2.700 2.266 2.266 2.266 . 0 0 "[ ]" 1
206 1 14 THR HA 1 15 PRO QB . . 5.500 4.705 4.705 4.705 . 0 0 "[ ]" 1
207 1 14 THR HA 1 15 PRO QD . . 3.500 2.051 2.051 2.051 . 0 0 "[ ]" 1
208 1 14 THR HA 1 15 PRO QG . . 5.500 3.965 3.965 3.965 . 0 0 "[ ]" 1
209 1 14 THR MG 1 15 PRO QB . . 5.500 4.676 4.676 4.676 . 0 0 "[ ]" 1
210 1 14 THR MG 1 15 PRO QD . . 4.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
211 1 15 PRO HA 1 16 VAL QG . . 4.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
212 1 15 PRO HA 1 17 ASN HD21 . . 5.500 5.655 5.655 5.655 0.155 1 0 "[ ]" 1
213 1 15 PRO HA 1 21 ALA MB . . 4.500 4.572 4.572 4.572 0.072 1 0 "[ ]" 1
214 1 15 PRO HA 1 24 HIS HD2 . . 4.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
215 1 15 PRO HA 1 24 HIS HE1 . . 5.500 5.562 5.562 5.562 0.062 1 0 "[ ]" 1
216 1 15 PRO QD 1 21 ALA MB . . 5.500 3.859 3.859 3.859 . 0 0 "[ ]" 1
217 1 15 PRO QG 1 21 ALA HA . . 4.500 2.409 2.409 2.409 . 0 0 "[ ]" 1
218 1 15 PRO QG 1 21 ALA MB . . 5.500 2.180 2.180 2.180 . 0 0 "[ ]" 1
219 1 16 VAL H 1 16 VAL HB . . 2.700 2.446 2.446 2.446 . 0 0 "[ ]" 1
220 1 16 VAL H 1 16 VAL MG2 . . 2.700 2.156 2.156 2.156 . 0 0 "[ ]" 1
221 1 16 VAL H 1 17 ASN H . . 3.500 2.474 2.474 2.474 . 0 0 "[ ]" 1
222 1 16 VAL H 1 20 ASP H . . 5.500 5.504 5.504 5.504 0.004 1 0 "[ ]" 1
223 1 16 VAL H 1 20 ASP QB . . 4.500 3.129 3.129 3.129 . 0 0 "[ ]" 1
224 1 16 VAL H 1 59 VAL MG2 . . 5.500 4.244 4.244 4.244 . 0 0 "[ ]" 1
225 1 16 VAL HA 1 16 VAL MG1 . . 2.700 2.475 2.475 2.475 . 0 0 "[ ]" 1
226 1 16 VAL HA 1 16 VAL MG2 . . 2.700 2.288 2.288 2.288 . 0 0 "[ ]" 1
227 1 16 VAL HA 1 17 ASN H . . 4.500 3.497 3.497 3.497 . 0 0 "[ ]" 1
228 1 16 VAL HA 1 59 VAL MG1 . . 4.500 4.606 4.606 4.606 0.106 1 0 "[ ]" 1
229 1 16 VAL HB 1 17 ASN H . . 4.500 2.441 2.441 2.441 . 0 0 "[ ]" 1
230 1 16 VAL HB 1 59 VAL HA . . 5.500 5.146 5.146 5.146 . 0 0 "[ ]" 1
231 1 16 VAL HB 1 59 VAL MG1 . . 3.500 2.656 2.656 2.656 . 0 0 "[ ]" 1
232 1 16 VAL QG 1 17 ASN HA . . 5.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
233 1 16 VAL QG 1 17 ASN HB2 . . 5.500 4.198 4.198 4.198 . 0 0 "[ ]" 1
234 1 16 VAL QG 1 17 ASN HD21 . . 3.500 2.450 2.450 2.450 . 0 0 "[ ]" 1
235 1 16 VAL QG 1 17 ASN HD22 . . 3.500 3.568 3.568 3.568 0.068 1 0 "[ ]" 1
236 1 16 VAL QG 1 56 LYS HA . . 5.500 5.529 5.529 5.529 0.029 1 0 "[ ]" 1
237 1 16 VAL QG 1 59 VAL HA . . 4.500 4.371 4.371 4.371 . 0 0 "[ ]" 1
238 1 16 VAL MG2 1 17 ASN H . . 3.500 3.687 3.687 3.687 0.187 1 0 "[ ]" 1
239 1 16 VAL MG2 1 62 THR HB . . 5.500 5.560 5.560 5.560 0.060 1 0 "[ ]" 1
240 1 17 ASN H 1 17 ASN HB2 . . 3.500 3.669 3.669 3.669 0.169 1 0 "[ ]" 1
241 1 17 ASN H 1 17 ASN HB3 . . 2.700 2.912 2.912 2.912 0.212 1 0 "[ ]" 1
242 1 17 ASN H 1 20 ASP H . . 4.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
243 1 17 ASN H 1 20 ASP QB . . 2.700 2.317 2.317 2.317 . 0 0 "[ ]" 1
244 1 17 ASN H 1 21 ALA MB . . 5.500 4.232 4.232 4.232 . 0 0 "[ ]" 1
245 1 17 ASN H 1 62 THR MG . . 5.500 4.947 4.947 4.947 . 0 0 "[ ]" 1
246 1 17 ASN HA 1 17 ASN HB2 . . 2.700 2.459 2.459 2.459 . 0 0 "[ ]" 1
247 1 17 ASN HA 1 17 ASN HB3 . . 2.700 2.447 2.447 2.447 . 0 0 "[ ]" 1
248 1 17 ASN HA 1 18 ALA MB . . 5.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
249 1 17 ASN HA 1 19 ILE H . . 5.500 4.607 4.607 4.607 . 0 0 "[ ]" 1
250 1 17 ASN HA 1 20 ASP QB . . 5.500 4.523 4.523 4.523 . 0 0 "[ ]" 1
251 1 17 ASN QB 1 19 ILE H . . 4.500 3.287 3.287 3.287 . 0 0 "[ ]" 1
252 1 17 ASN QB 1 20 ASP H . . 5.500 3.922 3.922 3.922 . 0 0 "[ ]" 1
253 1 17 ASN HD21 1 59 VAL MG2 . . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 1
254 1 17 ASN HD21 1 62 THR HB . . 5.500 3.238 3.238 3.238 . 0 0 "[ ]" 1
255 1 17 ASN HD21 1 62 THR MG . . 4.500 3.829 3.829 3.829 . 0 0 "[ ]" 1
256 1 17 ASN HD22 1 59 VAL MG2 . . 4.500 3.701 3.701 3.701 . 0 0 "[ ]" 1
257 1 17 ASN HD22 1 62 THR HB . . 5.500 2.276 2.276 2.276 . 0 0 "[ ]" 1
258 1 17 ASN HD22 1 62 THR MG . . 4.500 2.322 2.322 2.322 . 0 0 "[ ]" 1
259 1 18 ALA H 1 19 ILE H . . 2.700 2.798 2.798 2.798 0.098 1 0 "[ ]" 1
260 1 18 ALA HA 1 20 ASP H . . 5.500 4.698 4.698 4.698 . 0 0 "[ ]" 1
261 1 18 ALA HA 1 21 ALA H . . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
262 1 18 ALA HA 1 21 ALA MB . . 4.500 2.335 2.335 2.335 . 0 0 "[ ]" 1
263 1 18 ALA MB 1 19 ILE H . . 3.500 2.674 2.674 2.674 . 0 0 "[ ]" 1
264 1 18 ALA MB 1 19 ILE HA . . 4.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
265 1 19 ILE H 1 19 ILE HB . . 2.700 2.338 2.338 2.338 . 0 0 "[ ]" 1
266 1 19 ILE H 1 20 ASP H . . 2.700 2.652 2.652 2.652 . 0 0 "[ ]" 1
267 1 19 ILE H 1 20 ASP QB . . 5.500 4.160 4.160 4.160 . 0 0 "[ ]" 1
268 1 19 ILE HA 1 19 ILE MG . . 2.700 2.575 2.575 2.575 . 0 0 "[ ]" 1
269 1 19 ILE HA 1 20 ASP H . . 5.500 3.561 3.561 3.561 . 0 0 "[ ]" 1
270 1 19 ILE HA 1 22 GLU H . . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
271 1 19 ILE HA 1 22 GLU QB . . 4.500 3.210 3.210 3.210 . 0 0 "[ ]" 1
272 1 19 ILE HB 1 20 ASP H . . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
273 1 19 ILE HB 1 22 GLU H . . 5.500 5.640 5.640 5.640 0.140 1 0 "[ ]" 1
274 1 19 ILE HB 1 62 THR HA . . 5.500 5.493 5.493 5.493 . 0 0 "[ ]" 1
275 1 19 ILE HB 1 62 THR HB . . 4.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
276 1 19 ILE HB 1 62 THR MG . . 5.500 3.543 3.543 3.543 . 0 0 "[ ]" 1
277 1 19 ILE MD 1 62 THR HA . . 5.500 4.617 4.617 4.617 . 0 0 "[ ]" 1
278 1 19 ILE MD 1 62 THR HB . . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
279 1 19 ILE QG 1 20 ASP H . . 4.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
280 1 19 ILE QG 1 22 GLU H . . 5.500 5.477 5.477 5.477 . 0 0 "[ ]" 1
281 1 19 ILE MG 1 20 ASP H . . 4.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
282 1 19 ILE MG 1 20 ASP HA . . 5.500 3.385 3.385 3.385 . 0 0 "[ ]" 1
283 1 19 ILE MG 1 20 ASP HB2 . . 5.500 3.969 3.969 3.969 . 0 0 "[ ]" 1
284 1 19 ILE MG 1 20 ASP HB3 . . 5.500 4.796 4.796 4.796 . 0 0 "[ ]" 1
285 1 19 ILE MG 1 22 GLU H . . 5.500 4.973 4.973 4.973 . 0 0 "[ ]" 1
286 1 19 ILE MG 1 22 GLU QB . . 5.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
287 1 19 ILE MG 1 23 MET ME . . 5.500 3.949 3.949 3.949 . 0 0 "[ ]" 1
288 1 19 ILE MG 1 62 THR HA . . 5.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
289 1 19 ILE MG 1 62 THR HB . . 4.500 4.545 4.545 4.545 0.045 1 0 "[ ]" 1
290 1 19 ILE MG 1 62 THR MG . . 4.500 3.030 3.030 3.030 . 0 0 "[ ]" 1
291 1 20 ASP H 1 20 ASP HB2 . . 2.700 2.420 2.420 2.420 . 0 0 "[ ]" 1
292 1 20 ASP H 1 20 ASP HB3 . . 2.700 2.323 2.323 2.323 . 0 0 "[ ]" 1
293 1 20 ASP H 1 21 ALA H . . 2.700 2.747 2.747 2.747 0.047 1 0 "[ ]" 1
294 1 20 ASP H 1 21 ALA MB . . 4.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
295 1 20 ASP HA 1 20 ASP HB2 . . 2.700 2.424 2.424 2.424 . 0 0 "[ ]" 1
296 1 20 ASP HA 1 22 GLU H . . 5.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
297 1 20 ASP HA 1 23 MET H . . 4.500 3.882 3.882 3.882 . 0 0 "[ ]" 1
298 1 20 ASP HA 1 23 MET ME . . 5.500 2.498 2.498 2.498 . 0 0 "[ ]" 1
299 1 20 ASP HA 1 24 HIS HD2 . . 4.500 3.769 3.769 3.769 . 0 0 "[ ]" 1
300 1 20 ASP HA 1 59 VAL MG1 . . 5.500 5.541 5.541 5.541 0.041 1 0 "[ ]" 1
301 1 20 ASP HA 1 59 VAL MG2 . . 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
302 1 20 ASP QB 1 21 ALA H . . 4.500 2.554 2.554 2.554 . 0 0 "[ ]" 1
303 1 20 ASP QB 1 22 GLU H . . 5.500 4.881 4.881 4.881 . 0 0 "[ ]" 1
304 1 20 ASP QB 1 23 MET H . . 5.500 5.276 5.276 5.276 . 0 0 "[ ]" 1
305 1 20 ASP QB 1 59 VAL MG1 . . 5.500 3.570 3.570 3.570 . 0 0 "[ ]" 1
306 1 20 ASP HB2 1 23 MET ME . . 4.500 3.832 3.832 3.832 . 0 0 "[ ]" 1
307 1 20 ASP HB3 1 23 MET ME . . 5.500 4.810 4.810 4.810 . 0 0 "[ ]" 1
308 1 21 ALA H 1 22 GLU H . . 2.700 2.791 2.791 2.791 0.091 1 0 "[ ]" 1
309 1 21 ALA HA 1 24 HIS QB . . 5.500 2.443 2.443 2.443 . 0 0 "[ ]" 1
310 1 21 ALA MB 1 22 GLU H . . 4.500 2.645 2.645 2.645 . 0 0 "[ ]" 1
311 1 21 ALA MB 1 22 GLU HA . . 4.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
312 1 21 ALA MB 1 23 MET H . . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
313 1 21 ALA MB 1 24 HIS HD2 . . 5.500 5.253 5.253 5.253 . 0 0 "[ ]" 1
314 1 22 GLU H 1 22 GLU HB2 . . 2.700 2.740 2.740 2.740 0.040 1 0 "[ ]" 1
315 1 22 GLU H 1 22 GLU HB3 . . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
316 1 22 GLU H 1 23 MET H . . 2.700 2.561 2.561 2.561 . 0 0 "[ ]" 1
317 1 22 GLU HA 1 22 GLU HB2 . . 2.700 2.381 2.381 2.381 . 0 0 "[ ]" 1
318 1 22 GLU HA 1 25 ASP H . . 3.500 3.108 3.108 3.108 . 0 0 "[ ]" 1
319 1 22 GLU HA 1 25 ASP HB2 . . 5.500 3.529 3.529 3.529 . 0 0 "[ ]" 1
320 1 22 GLU HA 1 25 ASP HB3 . . 4.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
321 1 22 GLU HA 1 26 LEU HB2 . . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
322 1 22 GLU QB 1 25 ASP H . . 4.500 4.729 4.729 4.729 0.229 1 0 "[ ]" 1
323 1 22 GLU QB 1 25 ASP HB2 . . 5.500 5.424 5.424 5.424 . 0 0 "[ ]" 1
324 1 22 GLU QB 1 25 ASP HB3 . . 4.500 4.542 4.542 4.542 0.042 1 0 "[ ]" 1
325 1 22 GLU QB 1 26 LEU H . . 5.500 5.407 5.407 5.407 . 0 0 "[ ]" 1
326 1 22 GLU QG 1 26 LEU HB2 . . 5.500 3.347 3.347 3.347 . 0 0 "[ ]" 1
327 1 22 GLU QG 1 26 LEU HB3 . . 4.500 4.693 4.693 4.693 0.193 1 0 "[ ]" 1
328 1 23 MET H 1 23 MET HB2 . . 3.500 2.513 2.513 2.513 . 0 0 "[ ]" 1
329 1 23 MET H 1 23 MET HB3 . . 2.700 2.433 2.433 2.433 . 0 0 "[ ]" 1
330 1 23 MET H 1 24 HIS H . . 2.700 2.740 2.740 2.740 0.040 1 0 "[ ]" 1
331 1 23 MET H 1 24 HIS HB2 . . 5.500 4.336 4.336 4.336 . 0 0 "[ ]" 1
332 1 23 MET H 1 24 HIS HB3 . . 5.500 5.699 5.699 5.699 0.199 1 0 "[ ]" 1
333 1 23 MET H 1 26 LEU QD . . 4.500 4.647 4.647 4.647 0.147 1 0 "[ ]" 1
334 1 23 MET HA 1 23 MET QB . . 2.700 2.381 2.381 2.381 . 0 0 "[ ]" 1
335 1 23 MET HA 1 26 LEU H . . 3.500 3.607 3.607 3.607 0.107 1 0 "[ ]" 1
336 1 23 MET HA 1 26 LEU QB . . 5.500 2.555 2.555 2.555 . 0 0 "[ ]" 1
337 1 23 MET HA 1 27 ASN HD21 . . 5.500 3.668 3.668 3.668 . 0 0 "[ ]" 1
338 1 23 MET HA 1 27 ASN HD22 . . 4.500 4.545 4.545 4.545 0.045 1 0 "[ ]" 1
339 1 23 MET QB 1 24 HIS HA . . 4.500 4.365 4.365 4.365 . 0 0 "[ ]" 1
340 1 23 MET HB3 1 24 HIS H . . 4.500 2.460 2.460 2.460 . 0 0 "[ ]" 1
341 1 23 MET ME 1 24 HIS HA . . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
342 1 23 MET ME 1 35 TYR HA . . 3.500 3.584 3.584 3.584 0.084 1 0 "[ ]" 1
343 1 23 MET ME 1 35 TYR QD . . 5.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
344 1 23 MET ME 1 35 TYR QE . . 5.500 2.417 2.417 2.417 . 0 0 "[ ]" 1
345 1 23 MET QG 1 71 ILE MD . . 4.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
346 1 23 MET QG 1 71 ILE MG . . 5.500 2.186 2.186 2.186 . 0 0 "[ ]" 1
347 1 23 MET HG2 1 24 HIS HD2 . . 4.500 4.556 4.556 4.556 0.056 1 0 "[ ]" 1
348 1 24 HIS H 1 24 HIS HB2 . . 2.700 1.996 1.996 1.996 . 0 0 "[ ]" 1
349 1 24 HIS H 1 25 ASP H . . 2.700 2.842 2.842 2.842 0.142 1 0 "[ ]" 1
350 1 24 HIS HA 1 24 HIS HB3 . . 2.700 2.739 2.739 2.739 0.039 1 0 "[ ]" 1
351 1 24 HIS HA 1 25 ASP H . . 4.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
352 1 24 HIS HA 1 27 ASN H . . 3.500 3.418 3.418 3.418 . 0 0 "[ ]" 1
353 1 24 HIS HA 1 27 ASN QB . . 4.500 4.500 4.500 4.500 . 0 0 "[ ]" 1
354 1 24 HIS HA 1 28 CYS H . . 5.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
355 1 24 HIS HA 1 28 CYS HA . . 5.500 5.477 5.477 5.477 . 0 0 "[ ]" 1
356 1 24 HIS HA 1 28 CYS QB . . 5.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
357 1 24 HIS HA 1 34 PRO HA . . 5.500 4.496 4.496 4.496 . 0 0 "[ ]" 1
358 1 24 HIS HA 1 34 PRO QB . . 5.500 3.090 3.090 3.090 . 0 0 "[ ]" 1
359 1 24 HIS HA 1 34 PRO QG . . 5.500 2.590 2.590 2.590 . 0 0 "[ ]" 1
360 1 24 HIS HB2 1 25 ASP H . . 4.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
361 1 24 HIS HB2 1 27 ASN H . . 5.500 5.681 5.681 5.681 0.181 1 0 "[ ]" 1
362 1 24 HIS HB3 1 25 ASP H . . 5.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
363 1 24 HIS HB3 1 27 ASN H . . 5.500 5.416 5.416 5.416 . 0 0 "[ ]" 1
364 1 24 HIS HB3 1 27 ASN HD21 . . 5.500 5.691 5.691 5.691 0.191 1 0 "[ ]" 1
365 1 24 HIS HB3 1 27 ASN HD22 . . 4.500 4.514 4.514 4.514 0.014 1 0 "[ ]" 1
366 1 24 HIS HD2 1 27 ASN HD21 . . 5.500 5.583 5.583 5.583 0.083 1 0 "[ ]" 1
367 1 24 HIS HD2 1 27 ASN HD22 . . 4.500 4.169 4.169 4.169 . 0 0 "[ ]" 1
368 1 24 HIS HD2 1 34 PRO HB2 . . 4.500 3.844 3.844 3.844 . 0 0 "[ ]" 1
369 1 24 HIS HD2 1 34 PRO HB3 . . 4.500 3.429 3.429 3.429 . 0 0 "[ ]" 1
370 1 24 HIS HD2 1 34 PRO QG . . 5.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
371 1 24 HIS HE1 1 34 PRO QB . . 5.500 4.916 4.916 4.916 . 0 0 "[ ]" 1
372 1 24 HIS HE1 1 34 PRO QG . . 5.500 3.160 3.160 3.160 . 0 0 "[ ]" 1
373 1 24 HIS HE1 1 49 VAL MG1 . . 5.500 1.958 1.958 1.958 . 0 0 "[ ]" 1
374 1 24 HIS HE1 1 49 VAL MG2 . . 3.500 3.688 3.688 3.688 0.188 1 0 "[ ]" 1
375 1 24 HIS HE1 1 55 ARG QD . . 5.500 4.713 4.713 4.713 . 0 0 "[ ]" 1
376 1 25 ASP H 1 25 ASP HB2 . . 2.700 2.644 2.644 2.644 . 0 0 "[ ]" 1
377 1 25 ASP H 1 25 ASP HB3 . . 2.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
378 1 25 ASP H 1 26 LEU H . . 2.700 2.406 2.406 2.406 . 0 0 "[ ]" 1
379 1 25 ASP H 1 26 LEU QD . . 5.500 5.031 5.031 5.031 . 0 0 "[ ]" 1
380 1 25 ASP H 1 26 LEU HG . . 5.500 5.731 5.731 5.731 0.231 1 0 "[ ]" 1
381 1 25 ASP HA 1 25 ASP HB2 . . 2.700 2.506 2.506 2.506 . 0 0 "[ ]" 1
382 1 25 ASP HA 1 26 LEU H . . 5.500 3.368 3.368 3.368 . 0 0 "[ ]" 1
383 1 25 ASP HA 1 28 CYS H . . 3.500 3.813 3.813 3.813 0.313 1 0 "[ ]" 1
384 1 25 ASP HA 1 29 SER H . . 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
385 1 25 ASP HB2 1 26 LEU H . . 4.500 4.071 4.071 4.071 . 0 0 "[ ]" 1
386 1 25 ASP HB3 1 26 LEU H . . 4.500 2.951 2.951 2.951 . 0 0 "[ ]" 1
387 1 25 ASP HB3 1 27 ASN H . . 5.500 5.597 5.597 5.597 0.097 1 0 "[ ]" 1
388 1 26 LEU H 1 26 LEU HB2 . . 2.700 1.965 1.965 1.965 . 0 0 "[ ]" 1
389 1 26 LEU H 1 27 ASN H . . 2.700 2.705 2.705 2.705 0.005 1 0 "[ ]" 1
390 1 26 LEU H 1 27 ASN HB3 . . 5.500 5.410 5.410 5.410 . 0 0 "[ ]" 1
391 1 26 LEU H 1 28 CYS H . . 4.500 3.835 3.835 3.835 . 0 0 "[ ]" 1
392 1 26 LEU HA 1 26 LEU HB3 . . 2.700 2.967 2.967 2.967 0.267 1 0 "[ ]" 1
393 1 26 LEU HA 1 27 ASN H . . 4.500 3.613 3.613 3.613 . 0 0 "[ ]" 1
394 1 26 LEU HA 1 27 ASN HA . . 5.500 4.582 4.582 4.582 . 0 0 "[ ]" 1
395 1 26 LEU HA 1 28 CYS H . . 5.500 4.434 4.434 4.434 . 0 0 "[ ]" 1
396 1 26 LEU HA 1 29 SER H . . 3.500 3.832 3.832 3.832 0.332 1 0 "[ ]" 1
397 1 26 LEU HA 1 30 TYR QE . . 4.500 4.058 4.058 4.058 . 0 0 "[ ]" 1
398 1 26 LEU QB 1 27 ASN H . . 4.500 2.400 2.400 2.400 . 0 0 "[ ]" 1
399 1 26 LEU QB 1 30 TYR QE . . 5.500 5.538 5.538 5.538 0.038 1 0 "[ ]" 1
400 1 26 LEU HB2 1 27 ASN HD21 . . 5.500 4.411 4.411 4.411 . 0 0 "[ ]" 1
401 1 26 LEU HB2 1 28 CYS H . . 5.500 5.272 5.272 5.272 . 0 0 "[ ]" 1
402 1 26 LEU HB3 1 27 ASN HD21 . . 5.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
403 1 26 LEU HB3 1 27 ASN HD22 . . 4.500 4.820 4.820 4.820 0.320 1 0 "[ ]" 1
404 1 26 LEU HB3 1 28 CYS H . . 5.500 4.826 4.826 4.826 . 0 0 "[ ]" 1
405 1 26 LEU QD 1 27 ASN H . . 5.500 3.679 3.679 3.679 . 0 0 "[ ]" 1
406 1 26 LEU QD 1 27 ASN HD21 . . 5.500 4.391 4.391 4.391 . 0 0 "[ ]" 1
407 1 26 LEU QD 1 27 ASN HD22 . . 5.500 5.473 5.473 5.473 . 0 0 "[ ]" 1
408 1 26 LEU QD 1 29 SER H . . 4.500 4.726 4.726 4.726 0.226 1 0 "[ ]" 1
409 1 27 ASN H 1 27 ASN HB3 . . 2.700 2.784 2.784 2.784 0.084 1 0 "[ ]" 1
410 1 27 ASN H 1 28 CYS H . . 2.700 2.614 2.614 2.614 . 0 0 "[ ]" 1
411 1 27 ASN H 1 32 ILE MG . . 5.500 5.552 5.552 5.552 0.052 1 0 "[ ]" 1
412 1 27 ASN HA 1 27 ASN HB2 . . 2.700 2.434 2.434 2.434 . 0 0 "[ ]" 1
413 1 27 ASN HA 1 27 ASN HB3 . . 2.700 2.391 2.391 2.391 . 0 0 "[ ]" 1
414 1 27 ASN HA 1 28 CYS H . . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
415 1 27 ASN HA 1 29 SER H . . 5.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
416 1 27 ASN HA 1 30 TYR HA . . 5.500 5.570 5.570 5.570 0.070 1 0 "[ ]" 1
417 1 27 ASN HA 1 30 TYR HB2 . . 4.500 2.744 2.744 2.744 . 0 0 "[ ]" 1
418 1 27 ASN HA 1 30 TYR HB3 . . 5.500 4.371 4.371 4.371 . 0 0 "[ ]" 1
419 1 27 ASN HA 1 30 TYR QD . . 4.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
420 1 27 ASN HA 1 30 TYR QE . . 5.500 5.388 5.388 5.388 . 0 0 "[ ]" 1
421 1 27 ASN HA 1 31 ASN H . . 5.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
422 1 27 ASN HA 1 32 ILE H . . 4.500 3.864 3.864 3.864 . 0 0 "[ ]" 1
423 1 27 ASN HA 1 32 ILE HB . . 4.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
424 1 27 ASN HA 1 32 ILE MD . . 5.500 4.010 4.010 4.010 . 0 0 "[ ]" 1
425 1 27 ASN HA 1 32 ILE QG . . 5.500 5.065 5.065 5.065 . 0 0 "[ ]" 1
426 1 27 ASN HA 1 32 ILE MG . . 5.500 3.907 3.907 3.907 . 0 0 "[ ]" 1
427 1 27 ASN HA 1 34 PRO HA . . 5.500 5.538 5.538 5.538 0.038 1 0 "[ ]" 1
428 1 27 ASN QB 1 28 CYS H . . 4.500 3.779 3.779 3.779 . 0 0 "[ ]" 1
429 1 27 ASN QB 1 34 PRO HA . . 4.500 3.078 3.078 3.078 . 0 0 "[ ]" 1
430 1 27 ASN HB2 1 28 CYS HA . . 4.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
431 1 27 ASN HB2 1 32 ILE H . . 3.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
432 1 27 ASN HB2 1 32 ILE HB . . 4.500 2.566 2.566 2.566 . 0 0 "[ ]" 1
433 1 27 ASN HB2 1 32 ILE MD . . 4.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
434 1 27 ASN HB2 1 32 ILE MG . . 4.500 2.517 2.517 2.517 . 0 0 "[ ]" 1
435 1 27 ASN HB2 1 34 PRO QG . . 5.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
436 1 27 ASN HB3 1 28 CYS HA . . 5.500 5.600 5.600 5.600 0.100 1 0 "[ ]" 1
437 1 27 ASN HB3 1 32 ILE H . . 4.500 4.757 4.757 4.757 0.257 1 0 "[ ]" 1
438 1 27 ASN HB3 1 32 ILE HB . . 5.500 3.876 3.876 3.876 . 0 0 "[ ]" 1
439 1 27 ASN HB3 1 32 ILE MD . . 5.500 4.865 4.865 4.865 . 0 0 "[ ]" 1
440 1 27 ASN HB3 1 32 ILE MG . . 5.500 3.336 3.336 3.336 . 0 0 "[ ]" 1
441 1 27 ASN HB3 1 34 PRO QB . . 5.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
442 1 27 ASN HB3 1 34 PRO QG . . 5.500 5.026 5.026 5.026 . 0 0 "[ ]" 1
443 1 28 CYS H 1 28 CYS HB2 . . 2.700 2.301 2.301 2.301 . 0 0 "[ ]" 1
444 1 28 CYS H 1 29 SER H . . 2.700 2.405 2.405 2.405 . 0 0 "[ ]" 1
445 1 28 CYS H 1 29 SER HA . . 5.500 5.053 5.053 5.053 . 0 0 "[ ]" 1
446 1 28 CYS H 1 29 SER HB2 . . 4.500 4.698 4.698 4.698 0.198 1 0 "[ ]" 1
447 1 28 CYS H 1 29 SER HB3 . . 4.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
448 1 28 CYS H 1 45 LEU MD1 . . 5.500 4.516 4.516 4.516 . 0 0 "[ ]" 1
449 1 28 CYS HA 1 28 CYS HB3 . . 2.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
450 1 28 CYS HA 1 45 LEU MD1 . . 4.500 2.422 2.422 2.422 . 0 0 "[ ]" 1
451 1 28 CYS HB2 1 29 SER H . . 4.500 2.880 2.880 2.880 . 0 0 "[ ]" 1
452 1 28 CYS HB2 1 29 SER HA . . 5.500 4.436 4.436 4.436 . 0 0 "[ ]" 1
453 1 28 CYS HB2 1 29 SER HB2 . . 4.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
454 1 28 CYS HB2 1 29 SER HB3 . . 4.500 4.624 4.624 4.624 0.124 1 0 "[ ]" 1
455 1 28 CYS HB2 1 45 LEU MD1 . . 4.500 3.620 3.620 3.620 . 0 0 "[ ]" 1
456 1 28 CYS HB3 1 29 SER H . . 5.500 3.820 3.820 3.820 . 0 0 "[ ]" 1
457 1 28 CYS HB3 1 29 SER HA . . 4.500 4.514 4.514 4.514 0.014 1 0 "[ ]" 1
458 1 28 CYS HB3 1 29 SER HB2 . . 5.500 5.335 5.335 5.335 . 0 0 "[ ]" 1
459 1 28 CYS HB3 1 29 SER HB3 . . 5.500 5.610 5.610 5.610 0.110 1 0 "[ ]" 1
460 1 28 CYS HB3 1 45 LEU MD1 . . 4.500 2.132 2.132 2.132 . 0 0 "[ ]" 1
461 1 29 SER H 1 29 SER HB2 . . 2.700 2.505 2.505 2.505 . 0 0 "[ ]" 1
462 1 29 SER H 1 29 SER HB3 . . 2.700 1.911 1.911 1.911 . 0 0 "[ ]" 1
463 1 29 SER H 1 30 TYR H . . 3.500 2.629 2.629 2.629 . 0 0 "[ ]" 1
464 1 29 SER HA 1 29 SER HB2 . . 2.700 2.310 2.310 2.310 . 0 0 "[ ]" 1
465 1 29 SER HA 1 30 TYR H . . 4.500 3.442 3.442 3.442 . 0 0 "[ ]" 1
466 1 29 SER HA 1 31 ASN H . . 5.500 3.979 3.979 3.979 . 0 0 "[ ]" 1
467 1 29 SER HB2 1 30 TYR QD . . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
468 1 29 SER HB2 1 30 TYR QE . . 4.500 4.612 4.612 4.612 0.112 1 0 "[ ]" 1
469 1 29 SER HB2 1 31 ASN H . . 5.500 5.589 5.589 5.589 0.089 1 0 "[ ]" 1
470 1 29 SER HB3 1 30 TYR QE . . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
471 1 29 SER HB3 1 31 ASN H . . 5.500 5.005 5.005 5.005 . 0 0 "[ ]" 1
472 1 30 TYR H 1 30 TYR HB2 . . 2.700 2.357 2.357 2.357 . 0 0 "[ ]" 1
473 1 30 TYR H 1 30 TYR HB3 . . 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 1
474 1 30 TYR H 1 31 ASN H . . 4.500 2.206 2.206 2.206 . 0 0 "[ ]" 1
475 1 30 TYR H 1 31 ASN HA . . 4.500 4.105 4.105 4.105 . 0 0 "[ ]" 1
476 1 30 TYR H 1 32 ILE HB . . 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
477 1 30 TYR H 1 32 ILE MD . . 5.500 4.792 4.792 4.792 . 0 0 "[ ]" 1
478 1 30 TYR HA 1 30 TYR HB3 . . 2.700 2.542 2.542 2.542 . 0 0 "[ ]" 1
479 1 30 TYR HA 1 31 ASN H . . 5.500 3.251 3.251 3.251 . 0 0 "[ ]" 1
480 1 30 TYR HA 1 31 ASN HD21 . . 4.500 3.970 3.970 3.970 . 0 0 "[ ]" 1
481 1 30 TYR HA 1 31 ASN HD22 . . 4.500 4.122 4.122 4.122 . 0 0 "[ ]" 1
482 1 30 TYR HA 1 32 ILE MD . . 5.500 4.518 4.518 4.518 . 0 0 "[ ]" 1
483 1 30 TYR HB2 1 31 ASN H . . 5.500 3.662 3.662 3.662 . 0 0 "[ ]" 1
484 1 30 TYR HB2 1 32 ILE HB . . 5.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
485 1 30 TYR HB2 1 32 ILE MD . . 4.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
486 1 30 TYR HB2 1 32 ILE QG . . 5.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
487 1 30 TYR HB2 1 32 ILE MG . . 5.500 4.449 4.449 4.449 . 0 0 "[ ]" 1
488 1 30 TYR HB3 1 32 ILE H . . 4.500 4.575 4.575 4.575 0.075 1 0 "[ ]" 1
489 1 30 TYR HB3 1 32 ILE HB . . 5.500 3.808 3.808 3.808 . 0 0 "[ ]" 1
490 1 30 TYR HB3 1 32 ILE MD . . 4.500 2.397 2.397 2.397 . 0 0 "[ ]" 1
491 1 30 TYR HB3 1 32 ILE QG . . 5.500 3.422 3.422 3.422 . 0 0 "[ ]" 1
492 1 30 TYR HB3 1 32 ILE MG . . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
493 1 30 TYR QD 1 32 ILE MD . . 4.500 3.522 3.522 3.522 . 0 0 "[ ]" 1
494 1 30 TYR QE 1 32 ILE MD . . 5.500 5.207 5.207 5.207 . 0 0 "[ ]" 1
495 1 31 ASN H 1 31 ASN HB2 . . 3.500 3.818 3.818 3.818 0.318 1 0 "[ ]" 1
496 1 31 ASN H 1 32 ILE H . . 4.500 3.061 3.061 3.061 . 0 0 "[ ]" 1
497 1 31 ASN H 1 32 ILE HB . . 4.500 4.632 4.632 4.632 0.132 1 0 "[ ]" 1
498 1 31 ASN H 1 45 LEU MD1 . . 4.500 3.630 3.630 3.630 . 0 0 "[ ]" 1
499 1 31 ASN HA 1 31 ASN HB3 . . 2.700 2.212 2.212 2.212 . 0 0 "[ ]" 1
500 1 31 ASN HA 1 32 ILE H . . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
501 1 31 ASN HA 1 45 LEU H . . 5.500 5.573 5.573 5.573 0.073 1 0 "[ ]" 1
502 1 31 ASN HA 1 45 LEU MD1 . . 5.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
503 1 31 ASN QB 1 40 LEU HB2 . . 5.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
504 1 31 ASN QB 1 42 SER HA . . 5.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
505 1 31 ASN QB 1 42 SER QB . . 5.500 3.951 3.951 3.951 . 0 0 "[ ]" 1
506 1 31 ASN HB2 1 32 ILE H . . 4.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
507 1 31 ASN HB2 1 40 LEU MD1 . . 5.500 4.732 4.732 4.732 . 0 0 "[ ]" 1
508 1 31 ASN HB2 1 40 LEU MD2 . . 5.500 5.594 5.594 5.594 0.094 1 0 "[ ]" 1
509 1 31 ASN HB2 1 41 THR H . . 5.500 4.283 4.283 4.283 . 0 0 "[ ]" 1
510 1 31 ASN HB2 1 44 GLY H . . 5.500 5.665 5.665 5.665 0.165 1 0 "[ ]" 1
511 1 31 ASN HB2 1 45 LEU MD1 . . 4.500 4.163 4.163 4.163 . 0 0 "[ ]" 1
512 1 31 ASN HB3 1 32 ILE H . . 4.500 4.484 4.484 4.484 . 0 0 "[ ]" 1
513 1 31 ASN HB3 1 40 LEU MD2 . . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
514 1 31 ASN HB3 1 41 THR H . . 5.500 4.387 4.387 4.387 . 0 0 "[ ]" 1
515 1 31 ASN HB3 1 44 GLY H . . 5.500 4.945 4.945 4.945 . 0 0 "[ ]" 1
516 1 31 ASN HB3 1 45 LEU MD1 . . 4.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
517 1 31 ASN HD21 1 42 SER QB . . 4.500 4.253 4.253 4.253 . 0 0 "[ ]" 1
518 1 31 ASN HD22 1 42 SER QB . . 3.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
519 1 32 ILE H 1 32 ILE HB . . 2.700 2.277 2.277 2.277 . 0 0 "[ ]" 1
520 1 32 ILE H 1 32 ILE MG . . 4.500 3.596 3.596 3.596 . 0 0 "[ ]" 1
521 1 32 ILE H 1 45 LEU HB2 . . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
522 1 32 ILE H 1 45 LEU QD . . 4.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
523 1 32 ILE HA 1 32 ILE MG . . 2.700 2.732 2.732 2.732 0.032 1 0 "[ ]" 1
524 1 32 ILE HA 1 33 CYS H . . 2.700 2.378 2.378 2.378 . 0 0 "[ ]" 1
525 1 32 ILE HA 1 38 SER H . . 4.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
526 1 32 ILE HA 1 40 LEU MD2 . . 5.500 4.446 4.446 4.446 . 0 0 "[ ]" 1
527 1 32 ILE HB 1 39 ARG H . . 4.500 4.683 4.683 4.683 0.183 1 0 "[ ]" 1
528 1 32 ILE MD 1 33 CYS H . . 5.500 5.278 5.278 5.278 . 0 0 "[ ]" 1
529 1 32 ILE MD 1 39 ARG QD . . 4.500 4.516 4.516 4.516 0.016 1 0 "[ ]" 1
530 1 32 ILE QG 1 33 CYS H . . 4.500 4.080 4.080 4.080 . 0 0 "[ ]" 1
531 1 32 ILE MG 1 33 CYS HA . . 5.500 4.227 4.227 4.227 . 0 0 "[ ]" 1
532 1 32 ILE MG 1 33 CYS QB . . 5.500 3.901 3.901 3.901 . 0 0 "[ ]" 1
533 1 32 ILE MG 1 34 PRO HA . . 4.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
534 1 32 ILE MG 1 37 ALA HA . . 3.500 1.970 1.970 1.970 . 0 0 "[ ]" 1
535 1 32 ILE MG 1 37 ALA MB . . 3.500 2.423 2.423 2.423 . 0 0 "[ ]" 1
536 1 32 ILE MG 1 38 SER HA . . 5.500 5.039 5.039 5.039 . 0 0 "[ ]" 1
537 1 32 ILE MG 1 39 ARG H . . 5.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
538 1 32 ILE MG 1 39 ARG QB . . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
539 1 32 ILE MG 1 39 ARG QD . . 4.500 4.376 4.376 4.376 . 0 0 "[ ]" 1
540 1 33 CYS H 1 33 CYS QB . . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
541 1 33 CYS H 1 34 PRO QD . . 4.500 4.386 4.386 4.386 . 0 0 "[ ]" 1
542 1 33 CYS H 1 35 TYR H . . 5.500 5.264 5.264 5.264 . 0 0 "[ ]" 1
543 1 33 CYS H 1 37 ALA HA . . 4.500 2.970 2.970 2.970 . 0 0 "[ ]" 1
544 1 33 CYS H 1 38 SER H . . 5.500 2.281 2.281 2.281 . 0 0 "[ ]" 1
545 1 33 CYS H 1 38 SER HA . . 4.500 4.564 4.564 4.564 0.064 1 0 "[ ]" 1
546 1 33 CYS H 1 38 SER HB2 . . 4.500 4.504 4.504 4.504 0.004 1 0 "[ ]" 1
547 1 33 CYS H 1 38 SER HB3 . . 4.500 4.351 4.351 4.351 . 0 0 "[ ]" 1
548 1 33 CYS H 1 39 ARG HB3 . . 5.500 5.406 5.406 5.406 . 0 0 "[ ]" 1
549 1 33 CYS H 1 40 LEU MD1 . . 3.500 2.785 2.785 2.785 . 0 0 "[ ]" 1
550 1 33 CYS H 1 40 LEU MD2 . . 5.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
551 1 33 CYS H 1 49 VAL MG2 . . 4.500 4.568 4.568 4.568 0.068 1 0 "[ ]" 1
552 1 33 CYS HA 1 33 CYS HB2 . . 2.700 2.346 2.346 2.346 . 0 0 "[ ]" 1
553 1 33 CYS HA 1 34 PRO QD . . 2.700 2.023 2.023 2.023 . 0 0 "[ ]" 1
554 1 33 CYS HA 1 37 ALA H . . 4.500 4.541 4.541 4.541 0.041 1 0 "[ ]" 1
555 1 33 CYS HA 1 40 LEU MD1 . . 5.500 2.500 2.500 2.500 . 0 0 "[ ]" 1
556 1 33 CYS HA 1 40 LEU MD2 . . 5.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
557 1 33 CYS HA 1 45 LEU MD1 . . 5.500 4.662 4.662 4.662 . 0 0 "[ ]" 1
558 1 33 CYS HA 1 48 HIS HD2 . . 5.500 3.528 3.528 3.528 . 0 0 "[ ]" 1
559 1 33 CYS HA 1 49 VAL MG1 . . 5.500 3.846 3.846 3.846 . 0 0 "[ ]" 1
560 1 33 CYS HA 1 49 VAL MG2 . . 4.500 2.442 2.442 2.442 . 0 0 "[ ]" 1
561 1 33 CYS QB 1 48 HIS HD2 . . 4.500 2.483 2.483 2.483 . 0 0 "[ ]" 1
562 1 33 CYS HB2 1 34 PRO QD . . 5.500 3.655 3.655 3.655 . 0 0 "[ ]" 1
563 1 33 CYS HB2 1 35 TYR H . . 5.500 4.278 4.278 4.278 . 0 0 "[ ]" 1
564 1 33 CYS HB2 1 36 CYS H . . 5.500 3.829 3.829 3.829 . 0 0 "[ ]" 1
565 1 33 CYS HB2 1 37 ALA H . . 4.500 4.092 4.092 4.092 . 0 0 "[ ]" 1
566 1 33 CYS HB2 1 37 ALA HA . . 5.500 4.636 4.636 4.636 . 0 0 "[ ]" 1
567 1 33 CYS HB2 1 38 SER H . . 4.500 3.046 3.046 3.046 . 0 0 "[ ]" 1
568 1 33 CYS HB2 1 40 LEU MD1 . . 4.500 2.216 2.216 2.216 . 0 0 "[ ]" 1
569 1 33 CYS HB2 1 40 LEU MD2 . . 4.500 3.167 3.167 3.167 . 0 0 "[ ]" 1
570 1 33 CYS HB2 1 49 VAL HA . . 5.500 4.717 4.717 4.717 . 0 0 "[ ]" 1
571 1 33 CYS HB2 1 49 VAL MG2 . . 4.500 3.490 3.490 3.490 . 0 0 "[ ]" 1
572 1 33 CYS HB3 1 34 PRO QD . . 4.500 4.076 4.076 4.076 . 0 0 "[ ]" 1
573 1 33 CYS HB3 1 35 TYR H . . 4.500 3.601 3.601 3.601 . 0 0 "[ ]" 1
574 1 33 CYS HB3 1 36 CYS H . . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
575 1 33 CYS HB3 1 37 ALA H . . 3.500 2.356 2.356 2.356 . 0 0 "[ ]" 1
576 1 33 CYS HB3 1 37 ALA HA . . 4.500 3.185 3.185 3.185 . 0 0 "[ ]" 1
577 1 33 CYS HB3 1 38 SER H . . 3.500 1.929 1.929 1.929 . 0 0 "[ ]" 1
578 1 33 CYS HB3 1 40 LEU MD1 . . 4.500 3.616 3.616 3.616 . 0 0 "[ ]" 1
579 1 33 CYS HB3 1 40 LEU MD2 . . 4.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
580 1 34 PRO QB 1 35 TYR H . . 5.500 3.117 3.117 3.117 . 0 0 "[ ]" 1
581 1 34 PRO HB2 1 35 TYR QD . . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
582 1 34 PRO HB3 1 35 TYR QD . . 4.500 4.527 4.527 4.527 0.027 1 0 "[ ]" 1
583 1 34 PRO QD 1 35 TYR QD . . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
584 1 34 PRO QD 1 45 LEU MD1 . . 4.500 4.240 4.240 4.240 . 0 0 "[ ]" 1
585 1 34 PRO QD 1 49 VAL MG1 . . 5.500 2.272 2.272 2.272 . 0 0 "[ ]" 1
586 1 34 PRO QD 1 49 VAL MG2 . . 4.500 2.127 2.127 2.127 . 0 0 "[ ]" 1
587 1 34 PRO QG 1 35 TYR QD . . 5.500 3.586 3.586 3.586 . 0 0 "[ ]" 1
588 1 34 PRO QG 1 35 TYR QE . . 5.500 2.692 2.692 2.692 . 0 0 "[ ]" 1
589 1 35 TYR H 1 35 TYR HB2 . . 2.700 2.558 2.558 2.558 . 0 0 "[ ]" 1
590 1 35 TYR H 1 35 TYR HB3 . . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1
591 1 35 TYR H 1 36 CYS H . . 2.700 2.320 2.320 2.320 . 0 0 "[ ]" 1
592 1 35 TYR H 1 37 ALA H . . 4.500 3.424 3.424 3.424 . 0 0 "[ ]" 1
593 1 35 TYR HA 1 35 TYR HB3 . . 2.700 2.357 2.357 2.357 . 0 0 "[ ]" 1
594 1 35 TYR HA 1 36 CYS H . . 5.500 3.642 3.642 3.642 . 0 0 "[ ]" 1
595 1 35 TYR QB 1 54 LYS H . . 5.500 4.054 4.054 4.054 . 0 0 "[ ]" 1
596 1 35 TYR HB2 1 55 ARG H . . 5.500 3.527 3.527 3.527 . 0 0 "[ ]" 1
597 1 35 TYR HB3 1 55 ARG H . . 4.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
598 1 35 TYR QD 1 36 CYS H . . 4.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
599 1 35 TYR QD 1 49 VAL MG1 . . 4.500 3.233 3.233 3.233 . 0 0 "[ ]" 1
600 1 35 TYR QD 1 55 ARG HA . . 4.500 2.836 2.836 2.836 . 0 0 "[ ]" 1
601 1 35 TYR QD 1 55 ARG HB2 . . 3.500 2.126 2.126 2.126 . 0 0 "[ ]" 1
602 1 35 TYR QD 1 55 ARG HB3 . . 3.500 3.658 3.658 3.658 0.158 1 0 "[ ]" 1
603 1 35 TYR QD 1 55 ARG QD . . 4.500 3.667 3.667 3.667 . 0 0 "[ ]" 1
604 1 35 TYR QD 1 58 LYS HA . . 5.500 5.102 5.102 5.102 . 0 0 "[ ]" 1
605 1 35 TYR QD 1 58 LYS QD . . 5.500 2.100 2.100 2.100 . 0 0 "[ ]" 1
606 1 35 TYR QD 1 58 LYS QE . . 4.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
607 1 35 TYR QD 1 58 LYS QG . . 4.500 3.021 3.021 3.021 . 0 0 "[ ]" 1
608 1 35 TYR QD 1 59 VAL MG2 . . 5.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
609 1 35 TYR QE 1 49 VAL MG1 . . 3.500 2.455 2.455 2.455 . 0 0 "[ ]" 1
610 1 35 TYR QE 1 49 VAL MG2 . . 5.500 4.384 4.384 4.384 . 0 0 "[ ]" 1
611 1 35 TYR QE 1 55 ARG HA . . 5.500 3.428 3.428 3.428 . 0 0 "[ ]" 1
612 1 35 TYR QE 1 55 ARG HB2 . . 5.500 2.778 2.778 2.778 . 0 0 "[ ]" 1
613 1 35 TYR QE 1 55 ARG HB3 . . 5.500 4.242 4.242 4.242 . 0 0 "[ ]" 1
614 1 35 TYR QE 1 55 ARG QD . . 4.500 2.614 2.614 2.614 . 0 0 "[ ]" 1
615 1 35 TYR QE 1 58 LYS QE . . 5.500 3.592 3.592 3.592 . 0 0 "[ ]" 1
616 1 35 TYR QE 1 58 LYS QG . . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
617 1 35 TYR QE 1 59 VAL MG1 . . 5.500 4.267 4.267 4.267 . 0 0 "[ ]" 1
618 1 36 CYS H 1 36 CYS HB3 . . 2.700 2.854 2.854 2.854 0.154 1 0 "[ ]" 1
619 1 36 CYS H 1 37 ALA H . . 2.700 2.157 2.157 2.157 . 0 0 "[ ]" 1
620 1 36 CYS H 1 37 ALA HA . . 5.500 4.268 4.268 4.268 . 0 0 "[ ]" 1
621 1 36 CYS H 1 37 ALA MB . . 5.500 4.464 4.464 4.464 . 0 0 "[ ]" 1
622 1 36 CYS H 1 38 SER H . . 5.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
623 1 36 CYS H 1 40 LEU MD1 . . 5.500 5.593 5.593 5.593 0.093 1 0 "[ ]" 1
624 1 36 CYS H 1 54 LYS QB . . 4.500 3.784 3.784 3.784 . 0 0 "[ ]" 1
625 1 36 CYS HA 1 36 CYS QB . . 2.700 2.122 2.122 2.122 . 0 0 "[ ]" 1
626 1 36 CYS HA 1 37 ALA H . . 4.500 3.340 3.340 3.340 . 0 0 "[ ]" 1
627 1 36 CYS HA 1 54 LYS HB2 . . 4.500 4.255 4.255 4.255 . 0 0 "[ ]" 1
628 1 36 CYS HA 1 54 LYS HB3 . . 4.500 4.250 4.250 4.250 . 0 0 "[ ]" 1
629 1 36 CYS HA 1 54 LYS QD . . 4.500 4.363 4.363 4.363 . 0 0 "[ ]" 1
630 1 36 CYS HA 1 54 LYS QE . . 5.500 5.076 5.076 5.076 . 0 0 "[ ]" 1
631 1 36 CYS HA 1 54 LYS QG . . 3.500 3.548 3.548 3.548 0.048 1 0 "[ ]" 1
632 1 36 CYS QB 1 54 LYS HA . . 5.500 4.969 4.969 4.969 . 0 0 "[ ]" 1
633 1 36 CYS QB 1 54 LYS QG . . 4.500 2.221 2.221 2.221 . 0 0 "[ ]" 1
634 1 36 CYS HB2 1 37 ALA H . . 4.500 4.488 4.488 4.488 . 0 0 "[ ]" 1
635 1 36 CYS HB3 1 37 ALA H . . 4.500 4.352 4.352 4.352 . 0 0 "[ ]" 1
636 1 36 CYS HB3 1 54 LYS QD . . 5.500 4.044 4.044 4.044 . 0 0 "[ ]" 1
637 1 37 ALA H 1 38 SER H . . 2.700 2.829 2.829 2.829 0.129 1 0 "[ ]" 1
638 1 37 ALA H 1 40 LEU MD1 . . 5.500 5.504 5.504 5.504 0.004 1 0 "[ ]" 1
639 1 37 ALA HA 1 38 SER H . . 4.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
640 1 37 ALA HA 1 39 ARG H . . 5.500 3.416 3.416 3.416 . 0 0 "[ ]" 1
641 1 37 ALA MB 1 38 SER H . . 5.500 3.730 3.730 3.730 . 0 0 "[ ]" 1
642 1 37 ALA MB 1 38 SER HA . . 4.500 4.530 4.530 4.530 0.030 1 0 "[ ]" 1
643 1 38 SER H 1 38 SER HB2 . . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
644 1 38 SER H 1 38 SER HB3 . . 2.700 2.689 2.689 2.689 . 0 0 "[ ]" 1
645 1 38 SER H 1 39 ARG H . . 2.700 2.900 2.900 2.900 0.200 1 0 "[ ]" 1
646 1 38 SER H 1 40 LEU MD1 . . 4.500 4.143 4.143 4.143 . 0 0 "[ ]" 1
647 1 38 SER H 1 40 LEU MD2 . . 5.500 4.215 4.215 4.215 . 0 0 "[ ]" 1
648 1 38 SER HA 1 38 SER HB2 . . 2.700 2.546 2.546 2.546 . 0 0 "[ ]" 1
649 1 38 SER HA 1 39 ARG H . . 3.700 3.379 3.379 3.379 . 0 0 "[ ]" 1
650 1 38 SER HA 1 40 LEU MD1 . . 5.500 5.641 5.641 5.641 0.141 1 0 "[ ]" 1
651 1 38 SER HA 1 40 LEU MD2 . . 4.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
652 1 38 SER QB 1 40 LEU MD1 . . 5.500 4.026 4.026 4.026 . 0 0 "[ ]" 1
653 1 38 SER QB 1 40 LEU MD2 . . 4.500 2.571 2.571 2.571 . 0 0 "[ ]" 1
654 1 38 SER QB 1 40 LEU HG . . 4.500 3.693 3.693 3.693 . 0 0 "[ ]" 1
655 1 38 SER HB2 1 39 ARG H . . 4.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
656 1 38 SER HB3 1 39 ARG H . . 4.500 4.509 4.509 4.509 0.009 1 0 "[ ]" 1
657 1 39 ARG H 1 39 ARG HB3 . . 2.700 2.840 2.840 2.840 0.140 1 0 "[ ]" 1
658 1 39 ARG H 1 40 LEU H . . 2.700 2.838 2.838 2.838 0.138 1 0 "[ ]" 1
659 1 39 ARG H 1 40 LEU MD2 . . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
660 1 39 ARG HA 1 39 ARG HB2 . . 2.700 2.347 2.347 2.347 . 0 0 "[ ]" 1
661 1 39 ARG HA 1 39 ARG HB3 . . 2.700 2.383 2.383 2.383 . 0 0 "[ ]" 1
662 1 39 ARG HA 1 40 LEU H . . 2.700 2.143 2.143 2.143 . 0 0 "[ ]" 1
663 1 39 ARG HA 1 40 LEU MD2 . . 4.500 4.611 4.611 4.611 0.111 1 0 "[ ]" 1
664 1 40 LEU H 1 40 LEU HB2 . . 2.700 2.597 2.597 2.597 . 0 0 "[ ]" 1
665 1 40 LEU H 1 41 THR H . . 4.500 4.560 4.560 4.560 0.060 1 0 "[ ]" 1
666 1 40 LEU HA 1 40 LEU HB3 . . 2.700 2.448 2.448 2.448 . 0 0 "[ ]" 1
667 1 40 LEU HA 1 40 LEU MD1 . . 4.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
668 1 40 LEU HA 1 40 LEU MD2 . . 3.500 2.311 2.311 2.311 . 0 0 "[ ]" 1
669 1 40 LEU HA 1 41 THR H . . 2.700 2.504 2.504 2.504 . 0 0 "[ ]" 1
670 1 40 LEU HA 1 41 THR MG . . 4.500 3.726 3.726 3.726 . 0 0 "[ ]" 1
671 1 40 LEU HA 1 44 GLY QA . . 5.500 4.118 4.118 4.118 . 0 0 "[ ]" 1
672 1 40 LEU HA 1 45 LEU QB . . 5.500 5.309 5.309 5.309 . 0 0 "[ ]" 1
673 1 40 LEU QB 1 41 THR HA . . 5.500 4.151 4.151 4.151 . 0 0 "[ ]" 1
674 1 40 LEU QB 1 41 THR MG . . 5.500 4.369 4.369 4.369 . 0 0 "[ ]" 1
675 1 40 LEU QB 1 45 LEU HA . . 5.500 2.644 2.644 2.644 . 0 0 "[ ]" 1
676 1 40 LEU HB2 1 41 THR H . . 5.500 3.223 3.223 3.223 . 0 0 "[ ]" 1
677 1 40 LEU HB2 1 44 GLY QA . . 5.500 4.730 4.730 4.730 . 0 0 "[ ]" 1
678 1 40 LEU HB3 1 41 THR H . . 4.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
679 1 40 LEU HB3 1 44 GLY QA . . 4.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
680 1 40 LEU MD1 1 41 THR H . . 5.500 4.581 4.581 4.581 . 0 0 "[ ]" 1
681 1 40 LEU MD1 1 44 GLY H . . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
682 1 40 LEU MD1 1 44 GLY QA . . 5.500 4.587 4.587 4.587 . 0 0 "[ ]" 1
683 1 40 LEU MD1 1 45 LEU H . . 5.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
684 1 40 LEU MD1 1 45 LEU HA . . 4.500 2.039 2.039 2.039 . 0 0 "[ ]" 1
685 1 40 LEU MD1 1 45 LEU HB2 . . 4.500 3.418 3.418 3.418 . 0 0 "[ ]" 1
686 1 40 LEU MD1 1 45 LEU HB3 . . 4.500 4.503 4.503 4.503 0.003 1 0 "[ ]" 1
687 1 40 LEU MD1 1 45 LEU MD1 . . 4.500 2.934 2.934 2.934 . 0 0 "[ ]" 1
688 1 40 LEU MD1 1 48 HIS H . . 4.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
689 1 40 LEU MD1 1 48 HIS HA . . 4.500 4.654 4.654 4.654 0.154 1 0 "[ ]" 1
690 1 40 LEU MD1 1 48 HIS HB2 . . 4.500 3.583 3.583 3.583 . 0 0 "[ ]" 1
691 1 40 LEU MD1 1 48 HIS HB3 . . 4.500 2.111 2.111 2.111 . 0 0 "[ ]" 1
692 1 40 LEU MD1 1 49 VAL H . . 5.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
693 1 40 LEU MD1 1 49 VAL HA . . 4.500 4.086 4.086 4.086 . 0 0 "[ ]" 1
694 1 40 LEU MD1 1 49 VAL MG1 . . 5.500 4.177 4.177 4.177 . 0 0 "[ ]" 1
695 1 40 LEU MD1 1 49 VAL MG2 . . 5.500 2.285 2.285 2.285 . 0 0 "[ ]" 1
696 1 40 LEU MD2 1 41 THR H . . 5.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
697 1 40 LEU MD2 1 44 GLY H . . 5.500 5.266 5.266 5.266 . 0 0 "[ ]" 1
698 1 40 LEU MD2 1 44 GLY QA . . 4.500 3.668 3.668 3.668 . 0 0 "[ ]" 1
699 1 40 LEU MD2 1 45 LEU HA . . 5.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
700 1 40 LEU MD2 1 45 LEU HB2 . . 5.500 4.847 4.847 4.847 . 0 0 "[ ]" 1
701 1 40 LEU MD2 1 45 LEU MD1 . . 5.500 4.951 4.951 4.951 . 0 0 "[ ]" 1
702 1 40 LEU MD2 1 48 HIS H . . 5.500 4.045 4.045 4.045 . 0 0 "[ ]" 1
703 1 40 LEU MD2 1 48 HIS HB2 . . 5.500 2.638 2.638 2.638 . 0 0 "[ ]" 1
704 1 40 LEU MD2 1 48 HIS HB3 . . 5.500 2.275 2.275 2.275 . 0 0 "[ ]" 1
705 1 40 LEU MD2 1 48 HIS HD2 . . 4.500 2.921 2.921 2.921 . 0 0 "[ ]" 1
706 1 40 LEU MD2 1 48 HIS HE1 . . 5.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
707 1 40 LEU MD2 1 49 VAL HA . . 5.500 5.312 5.312 5.312 . 0 0 "[ ]" 1
708 1 40 LEU MD2 1 49 VAL MG1 . . 5.500 5.722 5.722 5.722 0.222 1 0 "[ ]" 1
709 1 40 LEU MD2 1 49 VAL MG2 . . 5.500 3.999 3.999 3.999 . 0 0 "[ ]" 1
710 1 40 LEU HG 1 45 LEU HA . . 4.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
711 1 41 THR H 1 41 THR MG . . 2.700 2.750 2.750 2.750 0.050 1 0 "[ ]" 1
712 1 41 THR H 1 44 GLY QA . . 3.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
713 1 41 THR HA 1 41 THR HB . . 2.700 2.421 2.421 2.421 . 0 0 "[ ]" 1
714 1 41 THR HA 1 41 THR MG . . 2.700 2.402 2.402 2.402 . 0 0 "[ ]" 1
715 1 41 THR HA 1 42 SER H . . 3.500 2.515 2.515 2.515 . 0 0 "[ ]" 1
716 1 41 THR HB 1 42 SER HA . . 4.500 4.691 4.691 4.691 0.191 1 0 "[ ]" 1
717 1 41 THR MG 1 44 GLY H . . 4.500 4.178 4.178 4.178 . 0 0 "[ ]" 1
718 1 42 SER H 1 42 SER HB3 . . 2.700 2.560 2.560 2.560 . 0 0 "[ ]" 1
719 1 42 SER HA 1 42 SER HB2 . . 2.700 2.394 2.394 2.394 . 0 0 "[ ]" 1
720 1 42 SER HA 1 42 SER HB3 . . 2.700 2.432 2.432 2.432 . 0 0 "[ ]" 1
721 1 42 SER HA 1 45 LEU MD1 . . 4.500 4.128 4.128 4.128 . 0 0 "[ ]" 1
722 1 42 SER QB 1 43 ASP HA . . 5.500 4.767 4.767 4.767 . 0 0 "[ ]" 1
723 1 42 SER QB 1 43 ASP QB . . 5.500 4.536 4.536 4.536 . 0 0 "[ ]" 1
724 1 42 SER QB 1 45 LEU QB . . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
725 1 42 SER HB2 1 45 LEU MD1 . . 5.500 5.590 5.590 5.590 0.090 1 0 "[ ]" 1
726 1 43 ASP H 1 43 ASP HB2 . . 2.700 2.792 2.792 2.792 0.092 1 0 "[ ]" 1
727 1 43 ASP H 1 43 ASP HB3 . . 2.700 2.683 2.683 2.683 . 0 0 "[ ]" 1
728 1 43 ASP H 1 44 GLY H . . 5.500 2.048 2.048 2.048 . 0 0 "[ ]" 1
729 1 43 ASP H 1 44 GLY QA . . 5.500 3.977 3.977 3.977 . 0 0 "[ ]" 1
730 1 43 ASP HA 1 43 ASP HB2 . . 2.700 2.556 2.556 2.556 . 0 0 "[ ]" 1
731 1 43 ASP HA 1 44 GLY H . . 4.500 3.370 3.370 3.370 . 0 0 "[ ]" 1
732 1 43 ASP HA 1 45 LEU H . . 4.500 4.133 4.133 4.133 . 0 0 "[ ]" 1
733 1 43 ASP HA 1 46 ALA MB . . 4.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
734 1 43 ASP QB 1 44 GLY H . . 3.500 3.367 3.367 3.367 . 0 0 "[ ]" 1
735 1 43 ASP QB 1 45 LEU H . . 5.500 4.911 4.911 4.911 . 0 0 "[ ]" 1
736 1 43 ASP QB 1 46 ALA MB . . 5.500 5.566 5.566 5.566 0.066 1 0 "[ ]" 1
737 1 43 ASP HB3 1 44 GLY H . . 3.500 3.529 3.529 3.529 0.029 1 0 "[ ]" 1
738 1 44 GLY H 1 45 LEU H . . 5.500 1.974 1.974 1.974 . 0 0 "[ ]" 1
739 1 44 GLY H 1 45 LEU HA . . 5.500 4.634 4.634 4.634 . 0 0 "[ ]" 1
740 1 44 GLY H 1 45 LEU HB2 . . 4.500 3.995 3.995 3.995 . 0 0 "[ ]" 1
741 1 44 GLY H 1 45 LEU HB3 . . 3.500 3.293 3.293 3.293 . 0 0 "[ ]" 1
742 1 44 GLY H 1 45 LEU MD1 . . 5.500 5.562 5.562 5.562 0.062 1 0 "[ ]" 1
743 1 44 GLY QA 1 45 LEU H . . 5.500 2.693 2.693 2.693 . 0 0 "[ ]" 1
744 1 44 GLY QA 1 46 ALA H . . 4.500 4.390 4.390 4.390 . 0 0 "[ ]" 1
745 1 44 GLY QA 1 47 ARG H . . 4.500 3.800 3.800 3.800 . 0 0 "[ ]" 1
746 1 45 LEU H 1 45 LEU HB2 . . 2.700 2.364 2.364 2.364 . 0 0 "[ ]" 1
747 1 45 LEU H 1 45 LEU HB3 . . 2.700 1.974 1.974 1.974 . 0 0 "[ ]" 1
748 1 45 LEU H 1 46 ALA H . . 5.500 3.215 3.215 3.215 . 0 0 "[ ]" 1
749 1 45 LEU H 1 46 ALA HA . . 5.500 5.582 5.582 5.582 0.082 1 0 "[ ]" 1
750 1 45 LEU H 1 49 VAL H . . 5.500 5.590 5.590 5.590 0.090 1 0 "[ ]" 1
751 1 45 LEU HA 1 45 LEU HB2 . . 2.700 2.353 2.353 2.353 . 0 0 "[ ]" 1
752 1 45 LEU HA 1 48 HIS H . . 3.500 3.733 3.733 3.733 0.233 1 0 "[ ]" 1
753 1 45 LEU HA 1 48 HIS QB . . 5.500 3.181 3.181 3.181 . 0 0 "[ ]" 1
754 1 45 LEU HA 1 49 VAL H . . 3.500 3.462 3.462 3.462 . 0 0 "[ ]" 1
755 1 45 LEU HA 1 49 VAL MG2 . . 5.500 2.878 2.878 2.878 . 0 0 "[ ]" 1
756 1 45 LEU QB 1 46 ALA HA . . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
757 1 45 LEU QB 1 46 ALA MB . . 5.500 3.904 3.904 3.904 . 0 0 "[ ]" 1
758 1 45 LEU HB2 1 46 ALA H . . 4.500 3.858 3.858 3.858 . 0 0 "[ ]" 1
759 1 45 LEU HB2 1 49 VAL H . . 5.500 5.637 5.637 5.637 0.137 1 0 "[ ]" 1
760 1 45 LEU HB3 1 46 ALA H . . 5.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
761 1 45 LEU MD1 1 46 ALA H . . 5.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
762 1 45 LEU MD1 1 46 ALA HA . . 4.500 4.107 4.107 4.107 . 0 0 "[ ]" 1
763 1 45 LEU MD1 1 48 HIS H . . 5.500 5.520 5.520 5.520 0.020 1 0 "[ ]" 1
764 1 45 LEU MD1 1 49 VAL H . . 4.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
765 1 45 LEU MD1 1 49 VAL HA . . 5.500 5.588 5.588 5.588 0.088 1 0 "[ ]" 1
766 1 45 LEU MD1 1 49 VAL MG2 . . 5.500 2.428 2.428 2.428 . 0 0 "[ ]" 1
767 1 46 ALA H 1 46 ALA MB . . 2.700 2.219 2.219 2.219 . 0 0 "[ ]" 1
768 1 46 ALA H 1 47 ARG H . . 2.700 2.728 2.728 2.728 0.028 1 0 "[ ]" 1
769 1 46 ALA HA 1 47 ARG H . . 5.500 3.548 3.548 3.548 . 0 0 "[ ]" 1
770 1 46 ALA HA 1 49 VAL H . . 3.500 3.679 3.679 3.679 0.179 1 0 "[ ]" 1
771 1 46 ALA MB 1 47 ARG H . . 2.700 2.615 2.615 2.615 . 0 0 "[ ]" 1
772 1 47 ARG H 1 47 ARG HB2 . . 2.700 2.558 2.558 2.558 . 0 0 "[ ]" 1
773 1 47 ARG H 1 48 HIS H . . 2.700 2.725 2.725 2.725 0.025 1 0 "[ ]" 1
774 1 47 ARG H 1 48 HIS QB . . 4.500 4.573 4.573 4.573 0.073 1 0 "[ ]" 1
775 1 47 ARG HA 1 47 ARG HB3 . . 2.700 2.433 2.433 2.433 . 0 0 "[ ]" 1
776 1 47 ARG QB 1 48 HIS H . . 4.500 2.740 2.740 2.740 . 0 0 "[ ]" 1
777 1 47 ARG QB 1 50 THR HB . . 4.500 4.598 4.598 4.598 0.098 1 0 "[ ]" 1
778 1 47 ARG QG 1 50 THR HB . . 5.500 4.909 4.909 4.909 . 0 0 "[ ]" 1
779 1 48 HIS H 1 48 HIS QB . . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
780 1 48 HIS H 1 49 VAL H . . 2.700 2.642 2.642 2.642 . 0 0 "[ ]" 1
781 1 48 HIS H 1 49 VAL HB . . 5.500 5.221 5.221 5.221 . 0 0 "[ ]" 1
782 1 48 HIS H 1 49 VAL MG2 . . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
783 1 48 HIS HA 1 48 HIS HB2 . . 2.700 2.329 2.329 2.329 . 0 0 "[ ]" 1
784 1 48 HIS HA 1 49 VAL MG2 . . 5.500 5.107 5.107 5.107 . 0 0 "[ ]" 1
785 1 48 HIS HA 1 51 GLN HB2 . . 5.500 2.681 2.681 2.681 . 0 0 "[ ]" 1
786 1 48 HIS HA 1 51 GLN HG2 . . 5.500 5.552 5.552 5.552 0.052 1 0 "[ ]" 1
787 1 48 HIS HA 1 51 GLN HG3 . . 4.500 4.377 4.377 4.377 . 0 0 "[ ]" 1
788 1 48 HIS HB2 1 49 VAL H . . 5.500 4.111 4.111 4.111 . 0 0 "[ ]" 1
789 1 48 HIS HB2 1 49 VAL MG2 . . 5.500 5.034 5.034 5.034 . 0 0 "[ ]" 1
790 1 48 HIS HB2 1 51 GLN H . . 5.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
791 1 48 HIS HB2 1 52 CYS H . . 5.500 5.668 5.668 5.668 0.168 1 0 "[ ]" 1
792 1 48 HIS HB3 1 49 VAL H . . 4.500 2.773 2.773 2.773 . 0 0 "[ ]" 1
793 1 48 HIS HB3 1 49 VAL MG1 . . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
794 1 48 HIS HB3 1 49 VAL MG2 . . 5.500 3.566 3.566 3.566 . 0 0 "[ ]" 1
795 1 48 HIS HD2 1 49 VAL H . . 5.500 3.350 3.350 3.350 . 0 0 "[ ]" 1
796 1 48 HIS HD2 1 49 VAL HA . . 3.500 2.864 2.864 2.864 . 0 0 "[ ]" 1
797 1 48 HIS HD2 1 49 VAL HB . . 5.500 4.904 4.904 4.904 . 0 0 "[ ]" 1
798 1 48 HIS HD2 1 49 VAL MG1 . . 4.500 3.971 3.971 3.971 . 0 0 "[ ]" 1
799 1 48 HIS HD2 1 49 VAL MG2 . . 4.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
800 1 48 HIS HD2 1 52 CYS HA . . 5.500 5.270 5.270 5.270 . 0 0 "[ ]" 1
801 1 48 HIS HD2 1 52 CYS QB . . 5.500 3.110 3.110 3.110 . 0 0 "[ ]" 1
802 1 48 HIS HE1 1 52 CYS H . . 5.500 5.053 5.053 5.053 . 0 0 "[ ]" 1
803 1 48 HIS HE1 1 52 CYS HA . . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
804 1 48 HIS HE1 1 52 CYS QB . . 5.500 3.585 3.585 3.585 . 0 0 "[ ]" 1
805 1 48 HIS HE1 1 53 PRO QD . . 4.500 3.818 3.818 3.818 . 0 0 "[ ]" 1
806 1 48 HIS HE1 1 53 PRO QG . . 5.500 5.497 5.497 5.497 . 0 0 "[ ]" 1
807 1 49 VAL H 1 49 VAL MG1 . . 4.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
808 1 49 VAL H 1 49 VAL MG2 . . 2.700 2.282 2.282 2.282 . 0 0 "[ ]" 1
809 1 49 VAL H 1 50 THR H . . 2.700 2.716 2.716 2.716 0.016 1 0 "[ ]" 1
810 1 49 VAL H 1 50 THR HA . . 5.500 5.388 5.388 5.388 . 0 0 "[ ]" 1
811 1 49 VAL HA 1 49 VAL MG1 . . 3.500 2.092 2.092 2.092 . 0 0 "[ ]" 1
812 1 49 VAL HA 1 49 VAL MG2 . . 3.500 2.466 2.466 2.466 . 0 0 "[ ]" 1
813 1 49 VAL HA 1 50 THR H . . 5.500 3.537 3.537 3.537 . 0 0 "[ ]" 1
814 1 49 VAL HA 1 51 GLN H . . 5.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
815 1 49 VAL HA 1 52 CYS H . . 3.500 3.408 3.408 3.408 . 0 0 "[ ]" 1
816 1 49 VAL HA 1 52 CYS HA . . 5.500 5.373 5.373 5.373 . 0 0 "[ ]" 1
817 1 49 VAL HA 1 52 CYS QB . . 4.500 2.915 2.915 2.915 . 0 0 "[ ]" 1
818 1 49 VAL HA 1 55 ARG HB3 . . 5.500 5.555 5.555 5.555 0.055 1 0 "[ ]" 1
819 1 49 VAL HA 1 55 ARG QD . . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
820 1 49 VAL HA 1 55 ARG QG . . 5.500 5.579 5.579 5.579 0.079 1 0 "[ ]" 1
821 1 49 VAL HB 1 50 THR H . . 4.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
822 1 49 VAL QG 1 50 THR H . . 5.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
823 1 49 VAL MG1 1 50 THR HA . . 5.500 4.146 4.146 4.146 . 0 0 "[ ]" 1
824 1 49 VAL MG1 1 50 THR MG . . 5.500 5.549 5.549 5.549 0.049 1 0 "[ ]" 1
825 1 49 VAL MG1 1 52 CYS H . . 5.500 4.661 4.661 4.661 . 0 0 "[ ]" 1
826 1 49 VAL MG1 1 52 CYS QB . . 5.500 3.670 3.670 3.670 . 0 0 "[ ]" 1
827 1 49 VAL MG1 1 55 ARG HA . . 5.500 5.326 5.326 5.326 . 0 0 "[ ]" 1
828 1 49 VAL MG1 1 55 ARG QD . . 4.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
829 1 49 VAL MG2 1 52 CYS H . . 5.500 5.244 5.244 5.244 . 0 0 "[ ]" 1
830 1 49 VAL MG2 1 52 CYS QB . . 5.500 4.196 4.196 4.196 . 0 0 "[ ]" 1
831 1 49 VAL MG2 1 55 ARG QD . . 5.500 4.904 4.904 4.904 . 0 0 "[ ]" 1
832 1 50 THR H 1 50 THR HB . . 2.700 2.477 2.477 2.477 . 0 0 "[ ]" 1
833 1 50 THR H 1 50 THR MG . . 4.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
834 1 50 THR H 1 51 GLN H . . 2.700 2.673 2.673 2.673 . 0 0 "[ ]" 1
835 1 50 THR H 1 51 GLN HA . . 5.500 5.346 5.346 5.346 . 0 0 "[ ]" 1
836 1 50 THR H 1 51 GLN HB2 . . 4.500 4.598 4.598 4.598 0.098 1 0 "[ ]" 1
837 1 50 THR H 1 51 GLN QG . . 5.500 4.171 4.171 4.171 . 0 0 "[ ]" 1
838 1 50 THR HA 1 50 THR MG . . 2.700 2.415 2.415 2.415 . 0 0 "[ ]" 1
839 1 50 THR HA 1 51 GLN H . . 5.500 3.488 3.488 3.488 . 0 0 "[ ]" 1
840 1 50 THR HA 1 51 GLN HA . . 5.500 4.660 4.660 4.660 . 0 0 "[ ]" 1
841 1 50 THR HA 1 51 GLN HG2 . . 5.500 5.550 5.550 5.550 0.050 1 0 "[ ]" 1
842 1 50 THR HA 1 51 GLN HG3 . . 5.500 4.684 4.684 4.684 . 0 0 "[ ]" 1
843 1 50 THR HB 1 51 GLN H . . 4.500 3.270 3.270 3.270 . 0 0 "[ ]" 1
844 1 50 THR HB 1 51 GLN HG2 . . 4.500 4.276 4.276 4.276 . 0 0 "[ ]" 1
845 1 50 THR HB 1 51 GLN HG3 . . 4.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
846 1 50 THR MG 1 51 GLN H . . 5.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
847 1 50 THR MG 1 51 GLN HA . . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
848 1 50 THR MG 1 51 GLN HG2 . . 3.500 3.409 3.409 3.409 . 0 0 "[ ]" 1
849 1 50 THR MG 1 51 GLN HG3 . . 3.500 2.902 2.902 2.902 . 0 0 "[ ]" 1
850 1 51 GLN H 1 51 GLN HB2 . . 2.700 2.421 2.421 2.421 . 0 0 "[ ]" 1
851 1 51 GLN H 1 51 GLN QG . . 4.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
852 1 51 GLN H 1 52 CYS H . . 2.700 2.242 2.242 2.242 . 0 0 "[ ]" 1
853 1 51 GLN H 1 52 CYS QB . . 5.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
854 1 51 GLN HA 1 51 GLN HB3 . . 2.700 2.526 2.526 2.526 . 0 0 "[ ]" 1
855 1 51 GLN HA 1 51 GLN HG2 . . 4.500 2.394 2.394 2.394 . 0 0 "[ ]" 1
856 1 51 GLN HA 1 51 GLN HG3 . . 3.500 3.023 3.023 3.023 . 0 0 "[ ]" 1
857 1 51 GLN HA 1 52 CYS H . . 4.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
858 1 51 GLN QB 1 52 CYS H . . 5.500 3.167 3.167 3.167 . 0 0 "[ ]" 1
859 1 51 GLN QG 1 52 CYS H . . 5.500 4.472 4.472 4.472 . 0 0 "[ ]" 1
860 1 52 CYS H 1 52 CYS HB2 . . 2.700 2.275 2.275 2.275 . 0 0 "[ ]" 1
861 1 52 CYS H 1 52 CYS HB3 . . 2.700 2.569 2.569 2.569 . 0 0 "[ ]" 1
862 1 52 CYS H 1 53 PRO HA . . 5.500 5.708 5.708 5.708 0.208 1 0 "[ ]" 1
863 1 52 CYS H 1 55 ARG HB3 . . 4.500 4.529 4.529 4.529 0.029 1 0 "[ ]" 1
864 1 52 CYS H 1 55 ARG QG . . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
865 1 52 CYS HA 1 52 CYS HB2 . . 2.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
866 1 52 CYS HA 1 53 PRO QD . . 2.700 2.092 2.092 2.092 . 0 0 "[ ]" 1
867 1 52 CYS HA 1 54 LYS QB . . 5.500 5.171 5.171 5.171 . 0 0 "[ ]" 1
868 1 52 CYS HA 1 55 ARG H . . 4.500 4.634 4.634 4.634 0.134 1 0 "[ ]" 1
869 1 52 CYS HA 1 55 ARG QB . . 4.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
870 1 52 CYS QB 1 53 PRO QD . . 4.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
871 1 52 CYS QB 1 55 ARG H . . 3.500 3.234 3.234 3.234 . 0 0 "[ ]" 1
872 1 52 CYS HB2 1 55 ARG QB . . 5.500 3.735 3.735 3.735 . 0 0 "[ ]" 1
873 1 52 CYS HB3 1 55 ARG QB . . 4.500 2.230 2.230 2.230 . 0 0 "[ ]" 1
874 1 53 PRO HA 1 56 LYS QB . . 4.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
875 1 53 PRO HA 1 56 LYS QE . . 4.500 3.933 3.933 3.933 . 0 0 "[ ]" 1
876 1 53 PRO HA 1 56 LYS QG . . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
877 1 53 PRO QB 1 54 LYS H . . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
878 1 53 PRO QB 1 55 ARG H . . 4.500 4.680 4.680 4.680 0.180 1 0 "[ ]" 1
879 1 54 LYS H 1 54 LYS HB2 . . 2.700 2.348 2.348 2.348 . 0 0 "[ ]" 1
880 1 54 LYS H 1 55 ARG H . . 3.500 2.245 2.245 2.245 . 0 0 "[ ]" 1
881 1 54 LYS H 1 55 ARG HA . . 5.500 4.978 4.978 4.978 . 0 0 "[ ]" 1
882 1 54 LYS H 1 55 ARG HB2 . . 4.500 4.591 4.591 4.591 0.091 1 0 "[ ]" 1
883 1 54 LYS H 1 55 ARG QG . . 5.500 5.650 5.650 5.650 0.150 1 0 "[ ]" 1
884 1 54 LYS HA 1 54 LYS HB3 . . 2.700 2.595 2.595 2.595 . 0 0 "[ ]" 1
885 1 54 LYS HA 1 55 ARG H . . 3.500 3.349 3.349 3.349 . 0 0 "[ ]" 1
886 1 54 LYS HA 1 56 LYS H . . 4.500 4.324 4.324 4.324 . 0 0 "[ ]" 1
887 1 54 LYS HA 1 57 GLU H . . 4.500 3.042 3.042 3.042 . 0 0 "[ ]" 1
888 1 54 LYS QB 1 57 GLU H . . 4.500 4.585 4.585 4.585 0.085 1 0 "[ ]" 1
889 1 54 LYS QG 1 55 ARG H . . 4.500 4.343 4.343 4.343 . 0 0 "[ ]" 1
890 1 55 ARG H 1 55 ARG HB2 . . 2.700 2.683 2.683 2.683 . 0 0 "[ ]" 1
891 1 55 ARG H 1 55 ARG HB3 . . 2.700 2.032 2.032 2.032 . 0 0 "[ ]" 1
892 1 55 ARG H 1 56 LYS H . . 2.700 2.762 2.762 2.762 0.062 1 0 "[ ]" 1
893 1 55 ARG H 1 56 LYS HA . . 5.500 5.441 5.441 5.441 . 0 0 "[ ]" 1
894 1 55 ARG HA 1 55 ARG HB2 . . 2.700 2.388 2.388 2.388 . 0 0 "[ ]" 1
895 1 55 ARG HA 1 56 LYS H . . 4.500 3.486 3.486 3.486 . 0 0 "[ ]" 1
896 1 55 ARG HB3 1 56 LYS H . . 4.500 2.591 2.591 2.591 . 0 0 "[ ]" 1
897 1 55 ARG QD 1 56 LYS H . . 4.500 4.332 4.332 4.332 . 0 0 "[ ]" 1
898 1 55 ARG QG 1 56 LYS H . . 5.500 2.732 2.732 2.732 . 0 0 "[ ]" 1
899 1 55 ARG QG 1 58 LYS H . . 5.500 5.502 5.502 5.502 0.002 1 0 "[ ]" 1
900 1 55 ARG QG 1 59 VAL H . . 5.500 4.745 4.745 4.745 . 0 0 "[ ]" 1
901 1 56 LYS H 1 56 LYS HB2 . . 2.700 2.440 2.440 2.440 . 0 0 "[ ]" 1
902 1 56 LYS H 1 56 LYS HB3 . . 2.700 2.443 2.443 2.443 . 0 0 "[ ]" 1
903 1 56 LYS H 1 57 GLU H . . 2.700 2.798 2.798 2.798 0.098 1 0 "[ ]" 1
904 1 56 LYS H 1 59 VAL H . . 4.500 4.654 4.654 4.654 0.154 1 0 "[ ]" 1
905 1 56 LYS H 1 59 VAL HB . . 4.500 4.765 4.765 4.765 0.265 1 0 "[ ]" 1
906 1 56 LYS HA 1 56 LYS HB2 . . 2.700 2.491 2.491 2.491 . 0 0 "[ ]" 1
907 1 56 LYS HA 1 57 GLU H . . 4.500 3.612 3.612 3.612 . 0 0 "[ ]" 1
908 1 56 LYS HA 1 57 GLU QG . . 5.500 5.174 5.174 5.174 . 0 0 "[ ]" 1
909 1 56 LYS HA 1 58 LYS H . . 5.500 4.798 4.798 4.798 . 0 0 "[ ]" 1
910 1 56 LYS HA 1 59 VAL MG2 . . 4.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
911 1 56 LYS QB 1 57 GLU H . . 3.500 2.620 2.620 2.620 . 0 0 "[ ]" 1
912 1 57 GLU H 1 57 GLU HB2 . . 2.700 2.498 2.498 2.498 . 0 0 "[ ]" 1
913 1 57 GLU H 1 58 LYS H . . 2.700 2.748 2.748 2.748 0.048 1 0 "[ ]" 1
914 1 57 GLU HA 1 57 GLU HB3 . . 2.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
915 1 57 GLU HA 1 58 LYS H . . 4.500 3.598 3.598 3.598 . 0 0 "[ ]" 1
916 1 58 LYS H 1 58 LYS HB2 . . 2.700 2.652 2.652 2.652 . 0 0 "[ ]" 1
917 1 58 LYS H 1 58 LYS HB3 . . 2.700 2.520 2.520 2.520 . 0 0 "[ ]" 1
918 1 58 LYS H 1 59 VAL H . . 2.700 2.474 2.474 2.474 . 0 0 "[ ]" 1
919 1 58 LYS H 1 59 VAL MG1 . . 5.500 5.741 5.741 5.741 0.241 1 0 "[ ]" 1
920 1 58 LYS H 1 59 VAL MG2 . . 4.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
921 1 58 LYS H 1 61 GLU QB . . 4.500 4.553 4.553 4.553 0.053 1 0 "[ ]" 1
922 1 58 LYS HA 1 58 LYS HB2 . . 2.700 2.467 2.467 2.467 . 0 0 "[ ]" 1
923 1 58 LYS HA 1 59 VAL H . . 4.500 3.545 3.545 3.545 . 0 0 "[ ]" 1
924 1 58 LYS HA 1 59 VAL MG2 . . 4.500 4.570 4.570 4.570 0.070 1 0 "[ ]" 1
925 1 58 LYS HA 1 61 GLU H . . 4.500 3.231 3.231 3.231 . 0 0 "[ ]" 1
926 1 58 LYS QB 1 59 VAL HA . . 5.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
927 1 58 LYS QB 1 59 VAL MG1 . . 5.500 5.050 5.050 5.050 . 0 0 "[ ]" 1
928 1 58 LYS HB3 1 59 VAL H . . 4.500 2.905 2.905 2.905 . 0 0 "[ ]" 1
929 1 58 LYS HB3 1 59 VAL MG2 . . 5.500 2.774 2.774 2.774 . 0 0 "[ ]" 1
930 1 58 LYS QE 1 59 VAL MG1 . . 4.500 4.607 4.607 4.607 0.107 1 0 "[ ]" 1
931 1 58 LYS QE 1 59 VAL MG2 . . 5.500 3.421 3.421 3.421 . 0 0 "[ ]" 1
932 1 58 LYS QG 1 59 VAL HA . . 5.500 4.329 4.329 4.329 . 0 0 "[ ]" 1
933 1 58 LYS QG 1 59 VAL MG1 . . 5.500 5.583 5.583 5.583 0.083 1 0 "[ ]" 1
934 1 58 LYS QG 1 61 GLU H . . 4.500 4.537 4.537 4.537 0.037 1 0 "[ ]" 1
935 1 59 VAL H 1 59 VAL MG2 . . 3.500 2.390 2.390 2.390 . 0 0 "[ ]" 1
936 1 59 VAL H 1 60 GLU H . . 2.700 2.538 2.538 2.538 . 0 0 "[ ]" 1
937 1 59 VAL H 1 60 GLU QG . . 4.500 4.597 4.597 4.597 0.097 1 0 "[ ]" 1
938 1 59 VAL H 1 62 THR H . . 4.500 4.444 4.444 4.444 . 0 0 "[ ]" 1
939 1 59 VAL HA 1 59 VAL MG1 . . 3.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
940 1 59 VAL HA 1 59 VAL MG2 . . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
941 1 59 VAL HA 1 60 GLU H . . 4.500 3.475 3.475 3.475 . 0 0 "[ ]" 1
942 1 59 VAL HA 1 61 GLU H . . 3.500 3.587 3.587 3.587 0.087 1 0 "[ ]" 1
943 1 59 VAL HA 1 61 GLU HB2 . . 4.500 4.717 4.717 4.717 0.217 1 0 "[ ]" 1
944 1 59 VAL HA 1 61 GLU HB3 . . 5.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
945 1 59 VAL HA 1 62 THR HA . . 4.500 4.635 4.635 4.635 0.135 1 0 "[ ]" 1
946 1 59 VAL HA 1 62 THR MG . . 3.500 2.578 2.578 2.578 . 0 0 "[ ]" 1
947 1 59 VAL MG1 1 60 GLU H . . 4.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
948 1 59 VAL MG1 1 62 THR H . . 5.500 3.990 3.990 3.990 . 0 0 "[ ]" 1
949 1 59 VAL MG1 1 62 THR HA . . 5.500 5.338 5.338 5.338 . 0 0 "[ ]" 1
950 1 59 VAL MG1 1 62 THR HB . . 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
951 1 59 VAL MG1 1 62 THR MG . . 5.500 3.423 3.423 3.423 . 0 0 "[ ]" 1
952 1 59 VAL MG2 1 62 THR H . . 4.500 4.294 4.294 4.294 . 0 0 "[ ]" 1
953 1 60 GLU H 1 60 GLU HB2 . . 2.700 2.373 2.373 2.373 . 0 0 "[ ]" 1
954 1 60 GLU H 1 61 GLU H . . 2.700 2.463 2.463 2.463 . 0 0 "[ ]" 1
955 1 60 GLU H 1 61 GLU QB . . 4.500 4.067 4.067 4.067 . 0 0 "[ ]" 1
956 1 60 GLU HA 1 60 GLU HB3 . . 2.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
957 1 60 GLU QG 1 61 GLU H . . 4.500 4.396 4.396 4.396 . 0 0 "[ ]" 1
958 1 60 GLU QG 1 62 THR H . . 5.500 5.549 5.549 5.549 0.049 1 0 "[ ]" 1
959 1 61 GLU H 1 61 GLU HB2 . . 2.700 2.023 2.023 2.023 . 0 0 "[ ]" 1
960 1 61 GLU H 1 61 GLU HB3 . . 2.700 2.915 2.915 2.915 0.215 1 0 "[ ]" 1
961 1 61 GLU H 1 62 THR H . . 2.700 2.551 2.551 2.551 . 0 0 "[ ]" 1
962 1 61 GLU H 1 62 THR MG . . 4.500 4.349 4.349 4.349 . 0 0 "[ ]" 1
963 1 61 GLU HA 1 61 GLU HB2 . . 2.700 2.779 2.779 2.779 0.079 1 0 "[ ]" 1
964 1 61 GLU HA 1 64 LEU QB . . 3.500 3.155 3.155 3.155 . 0 0 "[ ]" 1
965 1 61 GLU HA 1 64 LEU MD1 . . 4.500 3.633 3.633 3.633 . 0 0 "[ ]" 1
966 1 61 GLU HA 1 64 LEU MD2 . . 4.500 4.419 4.419 4.419 . 0 0 "[ ]" 1
967 1 61 GLU QB 1 62 THR H . . 3.500 2.642 2.642 2.642 . 0 0 "[ ]" 1
968 1 61 GLU QB 1 64 LEU H . . 4.500 4.677 4.677 4.677 0.177 1 0 "[ ]" 1
969 1 61 GLU HB2 1 62 THR HA . . 5.500 5.371 5.371 5.371 . 0 0 "[ ]" 1
970 1 61 GLU HB3 1 62 THR HA . . 5.500 3.916 3.916 3.916 . 0 0 "[ ]" 1
971 1 62 THR H 1 62 THR MG . . 2.700 2.457 2.457 2.457 . 0 0 "[ ]" 1
972 1 62 THR H 1 63 GLU H . . 2.700 2.672 2.672 2.672 . 0 0 "[ ]" 1
973 1 62 THR H 1 63 GLU QB . . 4.500 4.545 4.545 4.545 0.045 1 0 "[ ]" 1
974 1 62 THR HA 1 62 THR HB . . 2.700 2.430 2.430 2.430 . 0 0 "[ ]" 1
975 1 62 THR HA 1 62 THR MG . . 3.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
976 1 62 THR HA 1 65 TYR HB2 . . 4.500 4.512 4.512 4.512 0.012 1 0 "[ ]" 1
977 1 62 THR HA 1 65 TYR HB3 . . 5.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
978 1 62 THR HA 1 65 TYR QD . . 4.500 4.500 4.500 4.500 0.000 1 0 "[ ]" 1
979 1 62 THR HB 1 63 GLU H . . 4.500 4.106 4.106 4.106 . 0 0 "[ ]" 1
980 1 62 THR MG 1 63 GLU H . . 4.500 4.237 4.237 4.237 . 0 0 "[ ]" 1
981 1 62 THR MG 1 65 TYR H . . 5.500 5.347 5.347 5.347 . 0 0 "[ ]" 1
982 1 63 GLU H 1 63 GLU HB2 . . 2.700 2.250 2.250 2.250 . 0 0 "[ ]" 1
983 1 63 GLU H 1 64 LEU H . . 2.700 2.513 2.513 2.513 . 0 0 "[ ]" 1
984 1 63 GLU HA 1 63 GLU HB3 . . 2.700 2.650 2.650 2.650 . 0 0 "[ ]" 1
985 1 64 LEU H 1 64 LEU HB2 . . 2.700 2.576 2.576 2.576 . 0 0 "[ ]" 1
986 1 64 LEU H 1 65 TYR H . . 2.700 2.779 2.779 2.779 0.079 1 0 "[ ]" 1
987 1 64 LEU H 1 65 TYR HA . . 4.500 4.296 4.296 4.296 . 0 0 "[ ]" 1
988 1 64 LEU HA 1 64 LEU HB3 . . 2.700 2.517 2.517 2.517 . 0 0 "[ ]" 1
989 1 64 LEU HA 1 65 TYR H . . 3.500 2.540 2.540 2.540 . 0 0 "[ ]" 1
990 1 64 LEU HA 1 65 TYR HA . . 4.500 4.665 4.665 4.665 0.165 1 0 "[ ]" 1
991 1 64 LEU HA 1 67 ASN QB . . 5.500 5.463 5.463 5.463 . 0 0 "[ ]" 1
992 1 64 LEU QB 1 65 TYR H . . 4.500 3.838 3.838 3.838 . 0 0 "[ ]" 1
993 1 64 LEU HB2 1 65 TYR QD . . 5.500 5.575 5.575 5.575 0.075 1 0 "[ ]" 1
994 1 64 LEU HB3 1 65 TYR QD . . 5.500 5.566 5.566 5.566 0.066 1 0 "[ ]" 1
995 1 64 LEU QD 1 65 TYR H . . 5.500 4.353 4.353 4.353 . 0 0 "[ ]" 1
996 1 65 TYR H 1 65 TYR HB3 . . 2.700 2.539 2.539 2.539 . 0 0 "[ ]" 1
997 1 65 TYR H 1 66 LEU H . . 2.700 2.819 2.819 2.819 0.119 1 0 "[ ]" 1
998 1 65 TYR H 1 66 LEU HA . . 5.500 5.399 5.399 5.399 . 0 0 "[ ]" 1
999 1 65 TYR H 1 67 ASN H . . 4.500 4.533 4.533 4.533 0.033 1 0 "[ ]" 1
1000 1 65 TYR HA 1 65 TYR HB2 . . 2.700 2.483 2.483 2.483 . 0 0 "[ ]" 1
1001 1 65 TYR HA 1 65 TYR HB3 . . 2.700 2.426 2.426 2.426 . 0 0 "[ ]" 1
1002 1 65 TYR HA 1 66 LEU H . . 3.500 3.353 3.353 3.353 . 0 0 "[ ]" 1
1003 1 65 TYR HA 1 66 LEU HA . . 5.500 4.906 4.906 4.906 . 0 0 "[ ]" 1
1004 1 65 TYR HB2 1 66 LEU H . . 4.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
1005 1 65 TYR HB3 1 66 LEU H . . 5.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
1006 1 65 TYR QD 1 66 LEU HA . . 5.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
1007 1 65 TYR QD 1 66 LEU MD1 . . 5.500 3.433 3.433 3.433 . 0 0 "[ ]" 1
1008 1 65 TYR QD 1 66 LEU MD2 . . 5.500 3.083 3.083 3.083 . 0 0 "[ ]" 1
1009 1 65 TYR QE 1 66 LEU HA . . 5.500 5.006 5.006 5.006 . 0 0 "[ ]" 1
1010 1 65 TYR QE 1 66 LEU MD1 . . 4.500 3.143 3.143 3.143 . 0 0 "[ ]" 1
1011 1 65 TYR QE 1 66 LEU MD2 . . 4.500 3.017 3.017 3.017 . 0 0 "[ ]" 1
1012 1 66 LEU H 1 66 LEU HB2 . . 2.700 2.487 2.487 2.487 . 0 0 "[ ]" 1
1013 1 66 LEU H 1 67 ASN H . . 2.700 2.697 2.697 2.697 . 0 0 "[ ]" 1
1014 1 66 LEU HA 1 66 LEU HB3 . . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
1015 1 66 LEU HA 1 67 ASN H . . 3.500 3.482 3.482 3.482 . 0 0 "[ ]" 1
1016 1 66 LEU HB2 1 67 ASN H . . 3.500 3.152 3.152 3.152 . 0 0 "[ ]" 1
1017 1 66 LEU HB3 1 67 ASN H . . 4.500 4.024 4.024 4.024 . 0 0 "[ ]" 1
1018 1 66 LEU QD 1 67 ASN H . . 5.500 3.855 3.855 3.855 . 0 0 "[ ]" 1
1019 1 67 ASN H 1 67 ASN HB2 . . 3.500 3.561 3.561 3.561 0.061 1 0 "[ ]" 1
1020 1 67 ASN H 1 67 ASN HB3 . . 2.700 2.360 2.360 2.360 . 0 0 "[ ]" 1
1021 1 67 ASN H 1 68 LEU H . . 4.500 4.466 4.466 4.466 . 0 0 "[ ]" 1
1022 1 67 ASN HA 1 67 ASN HB2 . . 2.700 2.271 2.271 2.271 . 0 0 "[ ]" 1
1023 1 67 ASN HA 1 67 ASN HB3 . . 2.700 2.601 2.601 2.601 . 0 0 "[ ]" 1
1024 1 67 ASN HA 1 68 LEU H . . 2.700 2.311 2.311 2.311 . 0 0 "[ ]" 1
1025 1 67 ASN HA 1 68 LEU HA . . 4.500 4.148 4.148 4.148 . 0 0 "[ ]" 1
1026 1 67 ASN HA 1 68 LEU HB2 . . 3.700 3.876 3.876 3.876 0.176 1 0 "[ ]" 1
1027 1 67 ASN HA 1 68 LEU HB3 . . 4.500 4.609 4.609 4.609 0.109 1 0 "[ ]" 1
1028 1 67 ASN HB2 1 68 LEU H . . 2.700 2.214 2.214 2.214 . 0 0 "[ ]" 1
1029 1 67 ASN HB3 1 68 LEU H . . 3.500 3.631 3.631 3.631 0.131 1 0 "[ ]" 1
1030 1 68 LEU H 1 68 LEU HB2 . . 2.700 2.140 2.140 2.140 . 0 0 "[ ]" 1
1031 1 68 LEU H 1 68 LEU HB3 . . 2.700 2.336 2.336 2.336 . 0 0 "[ ]" 1
1032 1 68 LEU H 1 69 GLU H . . 2.700 2.710 2.710 2.710 0.010 1 0 "[ ]" 1
1033 1 68 LEU H 1 69 GLU HA . . 5.500 5.384 5.384 5.384 . 0 0 "[ ]" 1
1034 1 68 LEU HA 1 68 LEU HB2 . . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
1035 1 68 LEU HA 1 69 GLU H . . 3.500 3.534 3.534 3.534 0.034 1 0 "[ ]" 1
1036 1 68 LEU HA 1 69 GLU HA . . 5.500 4.771 4.771 4.771 . 0 0 "[ ]" 1
1037 1 68 LEU HB2 1 69 GLU H . . 3.500 3.667 3.667 3.667 0.167 1 0 "[ ]" 1
1038 1 68 LEU HB3 1 69 GLU H . . 2.700 2.414 2.414 2.414 . 0 0 "[ ]" 1
1039 1 68 LEU MD1 1 69 GLU H . . 4.500 3.281 3.281 3.281 . 0 0 "[ ]" 1
1040 1 68 LEU MD1 1 69 GLU HA . . 3.500 3.047 3.047 3.047 . 0 0 "[ ]" 1
1041 1 68 LEU MD2 1 69 GLU H . . 4.500 4.418 4.418 4.418 . 0 0 "[ ]" 1
1042 1 69 GLU H 1 69 GLU HB2 . . 2.700 2.496 2.496 2.496 . 0 0 "[ ]" 1
1043 1 69 GLU H 1 69 GLU HB3 . . 2.700 2.515 2.515 2.515 . 0 0 "[ ]" 1
1044 1 69 GLU H 1 70 ARG H . . 4.500 4.604 4.604 4.604 0.104 1 0 "[ ]" 1
1045 1 69 GLU HA 1 69 GLU HB2 . . 2.700 2.501 2.501 2.501 . 0 0 "[ ]" 1
1046 1 69 GLU HA 1 70 ARG H . . 2.700 2.203 2.203 2.203 . 0 0 "[ ]" 1
1047 1 69 GLU HA 1 70 ARG HA . . 4.500 4.535 4.535 4.535 0.035 1 0 "[ ]" 1
1048 1 69 GLU HA 1 70 ARG HB2 . . 4.500 4.260 4.260 4.260 . 0 0 "[ ]" 1
1049 1 69 GLU HA 1 70 ARG QG . . 5.500 5.008 5.008 5.008 . 0 0 "[ ]" 1
1050 1 69 GLU QB 1 70 ARG H . . 4.500 3.406 3.406 3.406 . 0 0 "[ ]" 1
1051 1 69 GLU QG 1 70 ARG H . . 2.700 2.447 2.447 2.447 . 0 0 "[ ]" 1
1052 1 69 GLU HG2 1 71 ILE H . . 5.500 5.140 5.140 5.140 . 0 0 "[ ]" 1
1053 1 70 ARG H 1 70 ARG HB2 . . 2.700 2.738 2.738 2.738 0.038 1 0 "[ ]" 1
1054 1 70 ARG H 1 71 ILE H . . 2.700 2.174 2.174 2.174 . 0 0 "[ ]" 1
1055 1 70 ARG H 1 71 ILE HA . . 5.500 4.499 4.499 4.499 . 0 0 "[ ]" 1
1056 1 70 ARG HA 1 70 ARG HB3 . . 2.700 2.607 2.607 2.607 . 0 0 "[ ]" 1
1057 1 70 ARG HA 1 71 ILE H . . 3.500 3.555 3.555 3.555 0.055 1 0 "[ ]" 1
1058 1 70 ARG QD 1 71 ILE H . . 4.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
1059 1 71 ILE H 1 71 ILE HB . . 2.700 2.766 2.766 2.766 0.066 1 0 "[ ]" 1
1060 1 71 ILE H 1 71 ILE MG . . 4.500 3.932 3.932 3.932 . 0 0 "[ ]" 1
1061 1 71 ILE H 1 72 PRO HA . . 4.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
1062 1 71 ILE HA 1 71 ILE MG . . 3.500 2.360 2.360 2.360 . 0 0 "[ ]" 1
1063 1 71 ILE HA 1 72 PRO HA . . 4.500 4.549 4.549 4.549 0.049 1 0 "[ ]" 1
1064 1 71 ILE HA 1 72 PRO QD . . 2.700 2.055 2.055 2.055 . 0 0 "[ ]" 1
1065 1 71 ILE HA 1 72 PRO QG . . 5.500 3.985 3.985 3.985 . 0 0 "[ ]" 1
1066 1 71 ILE HB 1 72 PRO QD . . 4.500 4.441 4.441 4.441 . 0 0 "[ ]" 1
1067 1 71 ILE MG 1 72 PRO QD . . 3.500 3.168 3.168 3.168 . 0 0 "[ ]" 1
1068 1 71 ILE MG 1 73 TRP HD1 . . 5.500 2.173 2.173 2.173 . 0 0 "[ ]" 1
1069 1 72 PRO HA 1 73 TRP H . . 2.700 2.835 2.835 2.835 0.135 1 0 "[ ]" 1
1070 1 72 PRO HA 1 73 TRP HA . . 4.500 4.527 4.527 4.527 0.027 1 0 "[ ]" 1
1071 1 72 PRO HA 1 74 VAL H . . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
1072 1 73 TRP H 1 73 TRP HB2 . . 2.700 2.737 2.737 2.737 0.037 1 0 "[ ]" 1
1073 1 73 TRP HA 1 73 TRP HB3 . . 2.700 2.396 2.396 2.396 . 0 0 "[ ]" 1
1074 1 73 TRP HA 1 74 VAL H . . 3.500 3.395 3.395 3.395 . 0 0 "[ ]" 1
1075 1 73 TRP HA 1 74 VAL HA . . 5.500 4.740 4.740 4.740 . 0 0 "[ ]" 1
1076 1 73 TRP QB 1 74 VAL H . . 4.500 3.252 3.252 3.252 . 0 0 "[ ]" 1
1077 1 74 VAL H 1 74 VAL HB . . 2.700 2.457 2.457 2.457 . 0 0 "[ ]" 1
1078 1 74 VAL H 1 74 VAL MG2 . . 2.700 2.522 2.522 2.522 . 0 0 "[ ]" 1
1079 1 74 VAL H 1 75 VAL H . . 2.700 2.274 2.274 2.274 . 0 0 "[ ]" 1
1080 1 74 VAL H 1 75 VAL HA . . 5.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
1081 1 74 VAL HA 1 74 VAL MG1 . . 2.700 2.459 2.459 2.459 . 0 0 "[ ]" 1
1082 1 74 VAL HA 1 74 VAL MG2 . . 2.700 2.393 2.393 2.393 . 0 0 "[ ]" 1
1083 1 74 VAL HA 1 75 VAL H . . 3.500 3.517 3.517 3.517 0.017 1 0 "[ ]" 1
1084 1 74 VAL HA 1 75 VAL HA . . 4.500 4.652 4.652 4.652 0.152 1 0 "[ ]" 1
1085 1 74 VAL HB 1 75 VAL H . . 3.500 3.005 3.005 3.005 . 0 0 "[ ]" 1
1086 1 74 VAL MG1 1 75 VAL H . . 4.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
1087 1 75 VAL H 1 75 VAL HB . . 2.700 2.534 2.534 2.534 . 0 0 "[ ]" 1
1088 1 75 VAL H 1 75 VAL MG2 . . 2.700 2.354 2.354 2.354 . 0 0 "[ ]" 1
1089 1 75 VAL H 1 76 ARG HA . . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
1090 1 75 VAL HA 1 75 VAL MG1 . . 2.700 2.427 2.427 2.427 . 0 0 "[ ]" 1
1091 1 75 VAL HA 1 75 VAL MG2 . . 2.700 2.404 2.404 2.404 . 0 0 "[ ]" 1
1092 1 75 VAL HB 1 76 ARG H . . 4.500 4.340 4.340 4.340 . 0 0 "[ ]" 1
1093 1 75 VAL QG 1 76 ARG H . . 4.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
1094 1 76 ARG H 1 76 ARG HB2 . . 2.700 2.726 2.726 2.726 0.026 1 0 "[ ]" 1
1095 1 76 ARG HA 1 76 ARG HB3 . . 2.700 2.489 2.489 2.489 . 0 0 "[ ]" 1
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