NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600727 |
5hv8   |
30006 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5hv8
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 858
_Distance_constraint_stats_list.Viol_count 2102
_Distance_constraint_stats_list.Viol_total 6904.595
_Distance_constraint_stats_list.Viol_max 1.780
_Distance_constraint_stats_list.Viol_rms 0.0884
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0201
_Distance_constraint_stats_list.Viol_average_violations_only 0.1642
_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 SER 3.873 0.466 9 0 "[ . 1 . 2]"
1 3 HIS 1.403 0.167 8 0 "[ . 1 . 2]"
1 4 MET 11.888 0.879 13 3 "[ . *- + . 2]"
1 5 ARG 20.380 0.862 8 5 "[ .* + * - . *2]"
1 6 LEU 4.555 0.879 13 3 "[ . *- + . 2]"
1 7 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLY 0.242 0.144 14 0 "[ . 1 . 2]"
1 9 LEU 4.350 0.388 20 0 "[ . 1 . 2]"
1 10 SER 5.140 0.316 13 0 "[ . 1 . 2]"
1 11 PRO 10.885 1.075 20 5 "[ . * **. - +]"
1 12 GLN 6.791 0.709 5 4 "[ + ** . - 2]"
1 13 GLN 7.313 0.718 16 3 "[ .* 1 - .+ 2]"
1 14 GLN 11.456 0.502 17 1 "[ . 1 . + 2]"
1 15 GLN 11.002 0.502 17 1 "[ . 1 . + 2]"
1 16 GLN 13.662 0.739 9 5 "[ * +* * . *]"
1 17 THR 3.625 0.610 5 2 "[ + -1 . 2]"
1 18 LEU 7.808 0.371 8 0 "[ . 1 . 2]"
1 19 ALA 26.287 1.722 10 19 "[*********+****-** **]"
1 20 THR 2.793 0.123 13 0 "[ . 1 . 2]"
1 21 LEU 3.450 0.388 20 0 "[ . 1 . 2]"
1 22 VAL 25.742 1.722 10 19 "[*********+****-** **]"
1 23 ALA 2.701 0.157 8 0 "[ . 1 . 2]"
1 24 ALA 0.971 0.094 3 0 "[ . 1 . 2]"
1 25 ALA 2.571 0.157 8 0 "[ . 1 . 2]"
1 26 THR 2.851 0.175 9 0 "[ . 1 . 2]"
1 27 ALA 2.239 0.286 13 0 "[ . 1 . 2]"
1 28 THR 2.491 0.146 2 0 "[ . 1 . 2]"
1 29 VAL 6.756 0.349 16 0 "[ . 1 . 2]"
1 30 LEU 7.887 1.057 16 3 "[ . 1- .+* 2]"
1 31 GLY 0.237 0.151 17 0 "[ . 1 . 2]"
1 32 HIS 4.420 1.057 16 3 "[ . 1- .+* 2]"
1 33 HIS 0.937 0.180 18 0 "[ . 1 . 2]"
1 34 THR 32.291 1.780 11 20 [*-********+*********]
1 35 PRO 23.836 0.934 11 20 [*-********+*********]
1 36 GLU 30.328 1.780 11 11 "[ *.*** *+ - . ****]"
1 37 SER 1.160 0.274 14 0 "[ . 1 . 2]"
1 38 ILE 4.458 0.308 20 0 "[ . 1 . 2]"
1 39 SER 1.540 0.146 13 0 "[ . 1 . 2]"
1 40 PRO 7.804 0.541 1 1 "[+ . 1 . 2]"
1 41 ALA 1.506 0.140 12 0 "[ . 1 . 2]"
1 42 THR 5.772 0.285 6 0 "[ . 1 . 2]"
1 43 ALA 5.827 0.285 6 0 "[ . 1 . 2]"
1 44 PHE 2.876 0.244 7 0 "[ . 1 . 2]"
1 45 LYS 14.730 0.690 2 4 "[ + . * * .- 2]"
1 46 ASP 5.456 0.690 2 1 "[ + . 1 . 2]"
1 47 LEU 3.570 1.057 16 3 "[ . 1- .+* 2]"
1 48 GLY 1.302 0.286 13 0 "[ . 1 . 2]"
1 49 ILE 0.087 0.047 10 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 SER 2.472 0.199 19 0 "[ . 1 . 2]"
1 52 LEU 17.208 0.986 5 7 "[* * + *1 - . **2]"
1 53 THR 9.591 0.986 5 7 "[* * + *1 - . **2]"
1 54 ALA 3.322 0.421 13 0 "[ . 1 . 2]"
1 55 LEU 3.632 0.200 8 0 "[ . 1 . 2]"
1 56 GLU 22.046 0.506 3 1 "[ + . 1 . 2]"
1 57 LEU 9.743 0.506 3 1 "[ + . 1 . 2]"
1 58 ARG 6.573 1.164 7 5 "[* * + 1 -* . 2]"
1 59 ASN 4.560 0.263 19 0 "[ . 1 . 2]"
1 60 THR 0.447 0.123 13 0 "[ . 1 . 2]"
1 61 LEU 7.166 1.164 7 5 "[* * + 1 -* . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 6.539 0.422 15 0 "[ . 1 . 2]"
1 65 THR 3.603 0.466 9 0 "[ . 1 . 2]"
1 66 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 LEU 3.223 0.879 13 2 "[ . 1- + . 2]"
1 68 ASP 4.601 0.226 12 0 "[ . 1 . 2]"
1 69 LEU 1.038 0.103 10 0 "[ . 1 . 2]"
1 70 PRO 4.383 0.201 10 0 "[ . 1 . 2]"
1 71 PRO 3.670 0.254 14 0 "[ . 1 . 2]"
1 72 THR 3.258 0.254 14 0 "[ . 1 . 2]"
1 73 LEU 6.185 0.509 7 1 "[ . + 1 . 2]"
1 74 ILE 2.541 0.769 13 1 "[ . 1 + . 2]"
1 75 PHE 3.402 0.240 6 0 "[ . 1 . 2]"
1 76 ASP 10.500 0.555 3 4 "[ + . * 1 - . * 2]"
1 77 HIS 8.751 0.555 3 4 "[ + . * 1 - . * 2]"
1 78 PRO 3.990 0.198 19 0 "[ . 1 . 2]"
1 79 THR 1.113 0.088 1 0 "[ . 1 . 2]"
1 80 PRO 2.202 0.173 7 0 "[ . 1 . 2]"
1 81 HIS 3.768 0.541 1 1 "[+ . 1 . 2]"
1 82 ALA 0.014 0.014 12 0 "[ . 1 . 2]"
1 83 LEU 8.217 0.388 20 0 "[ . 1 . 2]"
1 84 THR 6.201 0.320 12 0 "[ . 1 . 2]"
1 85 GLN 12.869 0.320 12 0 "[ . 1 . 2]"
1 86 HIS 14.181 0.388 20 0 "[ . 1 . 2]"
1 87 LEU 4.721 0.324 16 0 "[ . 1 . 2]"
1 88 HIS 14.561 1.075 20 5 "[ . * *-. * +]"
1 89 THR 7.331 0.421 13 0 "[ . 1 . 2]"
1 90 ARG 19.137 0.879 13 3 "[ . *- + . 2]"
1 91 LEU 7.058 0.879 13 3 "[ . *- + . 2]"
1 92 THR 2.658 0.207 11 0 "[ . 1 . 2]"
1 93 GLN 20.363 0.421 13 0 "[ . 1 . 2]"
1 94 SER 2.569 0.185 6 0 "[ . 1 . 2]"
1 95 HIS 3.899 0.305 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 SER HA 1 2 SER QB 2.400 . 3.100 2.287 2.176 2.374 . 0 0 "[ . 1 . 2]" 1
2 1 2 SER HA 1 3 HIS HD2 3.400 . 4.800 3.918 2.817 4.926 0.126 7 0 "[ . 1 . 2]" 1
3 1 2 SER HA 1 4 MET HB2 3.000 . 4.100 4.101 3.750 4.566 0.466 9 0 "[ . 1 . 2]" 1
4 1 2 SER HA 1 4 MET HB3 3.000 . 4.100 4.142 3.783 4.432 0.332 1 0 "[ . 1 . 2]" 1
5 1 2 SER QB 1 3 HIS HD2 3.300 . 4.700 4.067 2.235 4.731 0.031 6 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 3 HIS QB 2.000 . 2.500 2.325 2.179 2.494 . 0 0 "[ . 1 . 2]" 1
7 1 3 HIS HA 1 3 HIS HB3 2.500 . 3.300 2.524 2.442 2.690 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 3 HIS HD2 3.300 . 4.700 3.545 2.225 4.564 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS HA 1 4 MET H 2.700 . 3.600 3.019 2.899 3.601 0.001 6 0 "[ . 1 . 2]" 1
10 1 3 HIS QB 1 3 HIS HD2 2.400 . 3.100 3.070 2.767 3.267 0.167 8 0 "[ . 1 . 2]" 1
11 1 4 MET H 1 4 MET HB2 3.300 . 4.600 2.756 2.211 3.583 . 0 0 "[ . 1 . 2]" 1
12 1 4 MET H 1 4 MET QB 2.500 . 3.300 2.209 2.040 2.383 . 0 0 "[ . 1 . 2]" 1
13 1 4 MET H 1 4 MET HB3 3.300 . 4.600 3.293 2.539 3.705 . 0 0 "[ . 1 . 2]" 1
14 1 4 MET HA 1 4 MET HB2 2.500 . 3.300 2.858 2.482 3.019 . 0 0 "[ . 1 . 2]" 1
15 1 4 MET HA 1 4 MET HB3 2.600 . 2.600 2.454 2.308 2.602 0.002 9 0 "[ . 1 . 2]" 1
16 1 4 MET HA 1 4 MET QG 2.400 . 3.100 2.848 2.308 3.326 0.226 8 0 "[ . 1 . 2]" 1
17 1 4 MET HA 1 5 ARG H 2.500 . 3.300 3.370 2.996 3.585 0.285 9 0 "[ . 1 . 2]" 1
18 1 4 MET HA 1 5 ARG H 2.600 . 3.500 3.191 2.721 3.562 0.062 9 0 "[ . 1 . 2]" 1
19 1 4 MET HB2 1 5 ARG H 2.900 . 3.900 2.339 1.656 3.121 0.244 6 0 "[ . 1 . 2]" 1
20 1 4 MET HG2 1 6 LEU HB3 3.000 . 4.100 3.618 2.042 4.979 0.879 13 2 "[ . 1- + . 2]" 1
21 1 4 MET HG3 1 5 ARG HG2 2.800 . 3.800 3.051 1.794 4.578 0.778 10 1 "[ . + . 2]" 1
22 1 5 ARG H 1 5 ARG HA 2.600 . 3.500 2.722 2.646 2.803 . 0 0 "[ . 1 . 2]" 1
23 1 5 ARG H 1 5 ARG HB2 3.200 . 4.500 2.540 2.213 3.193 . 0 0 "[ . 1 . 2]" 1
24 1 5 ARG H 1 5 ARG HB3 3.100 . 3.600 3.350 2.521 3.730 0.130 5 0 "[ . 1 . 2]" 1
25 1 5 ARG H 1 5 ARG HG3 3.200 . 4.500 3.810 1.939 4.631 0.131 10 0 "[ . 1 . 2]" 1
26 1 5 ARG HA 1 5 ARG HB2 2.600 . 3.400 2.864 2.444 3.022 . 0 0 "[ . 1 . 2]" 1
27 1 5 ARG HA 1 5 ARG QB 2.300 . 3.000 2.372 2.184 2.486 . 0 0 "[ . 1 . 2]" 1
28 1 5 ARG HA 1 5 ARG HB3 2.600 . 3.500 2.627 2.254 3.018 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG HA 1 5 ARG QD 2.600 . 3.400 2.688 1.929 3.779 0.379 18 0 "[ . 1 . 2]" 1
30 1 5 ARG HA 1 5 ARG HG2 2.400 . 3.000 3.140 2.278 3.862 0.862 8 5 "[ .* + * - . *2]" 1
31 1 5 ARG HA 1 6 LEU H 2.500 . 3.300 2.751 2.659 2.816 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG HB2 1 5 ARG QD 2.400 . 3.100 2.838 2.140 3.439 0.339 2 0 "[ . 1 . 2]" 1
33 1 5 ARG HB3 1 5 ARG QD 2.200 . 2.800 2.624 2.168 3.391 0.591 12 1 "[ . 1 + . 2]" 1
34 1 5 ARG QD 1 5 ARG QG 2.000 . 2.400 2.070 1.990 2.088 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG QD 1 5 ARG HG3 2.100 . 2.700 2.333 2.158 2.412 . 0 0 "[ . 1 . 2]" 1
36 1 6 LEU H 1 6 LEU QB 2.700 . 3.600 2.384 2.098 3.104 . 0 0 "[ . 1 . 2]" 1
37 1 6 LEU HA 1 6 LEU HB2 2.400 . 3.100 2.963 2.410 3.020 . 0 0 "[ . 1 . 2]" 1
38 1 6 LEU HA 1 6 LEU HB3 2.700 . 3.600 2.505 2.243 2.614 . 0 0 "[ . 1 . 2]" 1
39 1 6 LEU HA 1 6 LEU HB3 2.200 . 2.800 2.354 2.226 2.557 . 0 0 "[ . 1 . 2]" 1
40 1 6 LEU HA 1 7 ASN H 2.700 . 3.600 2.646 2.483 2.798 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN H 1 7 ASN QB 2.900 . 3.400 2.385 2.225 2.736 . 0 0 "[ . 1 . 2]" 1
42 1 7 ASN HA 1 7 ASN QB 2.000 . 2.500 2.306 2.174 2.430 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLY HA2 1 9 LEU H 2.900 . 4.000 3.259 2.575 3.562 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLY HA3 1 9 LEU H 3.000 . 4.000 3.201 2.912 3.630 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLY HA3 1 9 LEU HG 3.000 . 4.100 3.739 2.655 4.244 0.144 14 0 "[ . 1 . 2]" 1
46 1 9 LEU H 1 9 LEU HA 2.700 . 3.600 2.871 2.764 2.921 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU H 1 9 LEU QB 2.500 . 3.300 2.288 2.052 2.456 . 0 0 "[ . 1 . 2]" 1
48 1 9 LEU H 1 9 LEU QB 2.400 . 3.100 2.159 2.049 2.291 . 0 0 "[ . 1 . 2]" 1
49 1 9 LEU HA 1 9 LEU QB 3.000 . 4.100 2.324 2.129 2.515 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU HA 1 9 LEU HG 3.000 . 4.100 3.314 2.790 4.232 0.132 19 0 "[ . 1 . 2]" 1
51 1 9 LEU HA 1 10 SER H 2.300 . 2.800 2.193 1.969 2.471 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU HA 1 13 GLN QB 3.600 . 5.200 3.142 2.234 3.924 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU HA 1 13 GLN QG 3.600 . 5.200 3.558 2.461 5.339 0.139 16 0 "[ . 1 . 2]" 1
54 1 9 LEU QB 1 14 GLN HB2 3.200 . 4.500 4.047 3.306 4.508 0.008 14 0 "[ . 1 . 2]" 1
55 1 9 LEU QB 1 10 SER H 2.800 . 3.800 3.006 2.280 3.740 . 0 0 "[ . 1 . 2]" 1
56 1 9 LEU QB 1 13 GLN QB 2.800 . 3.300 2.438 1.850 3.155 . 0 0 "[ . 1 . 2]" 1
57 1 9 LEU QB 1 13 GLN QB 2.900 . 3.900 2.131 1.694 2.650 0.206 6 0 "[ . 1 . 2]" 1
58 1 9 LEU QB 1 14 GLN H 2.700 . 3.600 3.028 2.699 3.382 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU QB 1 14 GLN HG3 2.700 . 3.600 2.342 1.824 2.757 . 0 0 "[ . 1 . 2]" 1
60 1 9 LEU QB 1 14 GLN HG2 2.700 . 3.600 2.567 1.938 3.605 0.005 19 0 "[ . 1 . 2]" 1
61 1 9 LEU QB 1 14 GLN HG3 3.000 . 3.600 2.673 1.840 3.445 0.060 16 0 "[ . 1 . 2]" 1
62 1 9 LEU HG 1 10 SER H 3.200 . 4.500 4.306 3.534 4.808 0.308 20 0 "[ . 1 . 2]" 1
63 1 9 LEU HG 1 13 GLN QB 2.700 . 3.600 3.235 1.840 3.690 0.090 14 0 "[ . 1 . 2]" 1
64 1 9 LEU HG 1 14 GLN HG3 2.900 . 4.000 3.611 1.793 4.388 0.388 20 0 "[ . 1 . 2]" 1
65 1 10 SER H 1 10 SER HB2 2.900 . 3.400 2.977 2.507 3.612 0.212 20 0 "[ . 1 . 2]" 1
66 1 10 SER H 1 10 SER HB3 2.400 . 3.100 2.744 2.188 3.127 0.027 17 0 "[ . 1 . 2]" 1
67 1 10 SER H 1 13 GLN H 3.000 . 4.000 3.817 3.117 4.090 0.090 5 0 "[ . 1 . 2]" 1
68 1 10 SER H 1 13 GLN QB 2.400 . 3.100 2.087 1.588 2.486 0.112 13 0 "[ . 1 . 2]" 1
69 1 10 SER H 1 13 GLN QB 2.900 . 3.900 2.131 1.584 2.363 0.316 13 0 "[ . 1 . 2]" 1
70 1 10 SER H 1 13 GLN QG 2.800 . 3.800 2.568 1.720 3.648 0.080 3 0 "[ . 1 . 2]" 1
71 1 10 SER HA 1 10 SER HB2 2.100 . 2.700 2.062 1.971 2.171 . 0 0 "[ . 1 . 2]" 1
72 1 10 SER HB2 1 13 GLN QG 3.000 . 4.200 3.232 1.886 4.431 0.231 13 0 "[ . 1 . 2]" 1
73 1 10 SER HB3 1 11 PRO QD 2.900 . 3.900 2.606 1.911 2.978 . 0 0 "[ . 1 . 2]" 1
74 1 10 SER HB3 1 11 PRO HB2 2.900 . 3.900 3.451 2.373 4.033 0.133 11 0 "[ . 1 . 2]" 1
75 1 11 PRO HA 1 11 PRO HB2 2.300 . 3.000 2.996 2.989 3.001 0.001 18 0 "[ . 1 . 2]" 1
76 1 11 PRO HA 1 11 PRO HB3 2.600 . 3.300 2.320 2.310 2.328 . 0 0 "[ . 1 . 2]" 1
77 1 11 PRO HA 1 11 PRO QG 2.500 . 3.300 2.789 2.732 2.844 . 0 0 "[ . 1 . 2]" 1
78 1 11 PRO HA 1 14 GLN H 3.100 . 4.300 4.022 3.750 4.345 0.045 9 0 "[ . 1 . 2]" 1
79 1 11 PRO HA 1 14 GLN HB3 2.900 . 4.000 3.985 3.454 4.502 0.502 17 1 "[ . 1 . + 2]" 1
80 1 11 PRO HA 1 88 HIS HE1 3.100 . 4.300 3.371 2.564 4.395 0.095 20 0 "[ . 1 . 2]" 1
81 1 11 PRO HB2 1 12 GLN H 3.400 . 4.900 2.319 2.138 2.521 . 0 0 "[ . 1 . 2]" 1
82 1 11 PRO HB2 1 12 GLN H 2.600 . 3.500 2.101 1.956 2.342 . 0 0 "[ . 1 . 2]" 1
83 1 11 PRO HB2 1 88 HIS HE1 3.100 . 4.300 4.192 3.694 4.488 0.188 8 0 "[ . 1 . 2]" 1
84 1 11 PRO HB2 1 88 HIS HE1 3.100 . 4.300 4.456 3.923 4.832 0.532 14 1 "[ . 1 +. 2]" 1
85 1 11 PRO HB3 1 12 GLN H 3.100 . 4.300 3.731 3.590 3.894 . 0 0 "[ . 1 . 2]" 1
86 1 11 PRO HB3 1 88 HIS HE1 2.900 . 3.900 2.890 2.284 3.461 . 0 0 "[ . 1 . 2]" 1
87 1 11 PRO QD 1 12 GLN H 2.600 . 3.400 2.664 2.605 2.707 . 0 0 "[ . 1 . 2]" 1
88 1 11 PRO HD2 1 11 PRO QG 2.500 . 3.300 2.213 2.201 2.223 . 0 0 "[ . 1 . 2]" 1
89 1 11 PRO HD2 1 11 PRO QG 2.000 . 2.500 1.706 1.701 1.712 . 0 0 "[ . 1 . 2]" 1
90 1 11 PRO HD3 1 11 PRO QG 2.500 . 3.300 2.180 2.176 2.185 . 0 0 "[ . 1 . 2]" 1
91 1 11 PRO QG 1 88 HIS HE1 3.000 . 4.100 3.958 3.030 5.175 1.075 20 4 "[ . - * . * +]" 1
92 1 12 GLN H 1 12 GLN HA 2.900 . 3.900 2.833 2.785 2.870 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLN H 1 12 GLN HB2 2.400 . 3.100 2.427 2.171 2.646 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLN H 1 12 GLN HB3 2.700 . 3.600 3.413 2.299 3.612 0.012 8 0 "[ . 1 . 2]" 1
95 1 12 GLN H 1 12 GLN QG 2.900 . 3.900 2.637 2.226 3.846 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLN H 1 13 GLN H 2.800 . 3.800 2.625 2.523 2.766 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLN HA 1 12 GLN HB2 2.000 . 2.500 2.437 2.197 2.569 0.069 18 0 "[ . 1 . 2]" 1
98 1 12 GLN HA 1 12 GLN HB3 1.900 . 2.300 2.570 2.438 3.009 0.709 5 4 "[ + ** . - 2]" 1
99 1 12 GLN HA 1 12 GLN HB3 1.800 . 2.200 1.824 1.810 1.874 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN HA 1 12 GLN HB3 1.900 . 2.400 2.409 2.239 2.665 0.265 5 0 "[ . 1 . 2]" 1
101 1 12 GLN HA 1 12 GLN QG 2.100 . 2.500 2.377 2.217 2.500 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLN HA 1 13 GLN H 2.500 . 3.300 2.705 2.673 2.739 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLN HA 1 13 GLN H 2.500 . 3.300 3.053 2.865 3.257 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN HA 1 15 GLN HG3 2.800 . 3.800 3.187 2.719 3.705 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLN HB2 1 12 GLN HE22 3.200 . 4.500 3.688 2.702 4.000 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLN HB2 1 12 GLN QG 2.000 . 2.500 2.333 2.234 2.370 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLN HB2 1 13 GLN H 2.300 . 3.000 2.344 2.179 2.452 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLN HB3 1 12 GLN HE22 3.000 . 4.100 3.551 1.901 4.046 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLN HE22 1 12 GLN QG 2.300 . 3.000 2.062 1.931 2.565 . 0 0 "[ . 1 . 2]" 1
110 1 13 GLN H 1 13 GLN HA 2.500 . 3.300 2.815 2.779 2.861 . 0 0 "[ . 1 . 2]" 1
111 1 13 GLN H 1 13 GLN QB 2.700 . 3.400 2.404 2.336 2.555 . 0 0 "[ . 1 . 2]" 1
112 1 13 GLN H 1 13 GLN QB 2.200 . 2.800 2.135 2.014 2.334 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLN H 1 13 GLN HG2 2.300 . 3.000 2.529 2.109 3.718 0.718 16 3 "[ .* 1 - .+ 2]" 1
114 1 13 GLN H 1 14 GLN H 2.500 . 3.300 2.695 2.511 2.904 . 0 0 "[ . 1 . 2]" 1
115 1 13 GLN HA 1 13 GLN QB 2.000 . 2.500 2.112 1.835 2.310 . 0 0 "[ . 1 . 2]" 1
116 1 13 GLN HA 1 13 GLN QB 1.900 . 2.400 2.163 2.120 2.185 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLN HA 1 14 GLN H 2.400 . 3.100 2.689 2.613 2.732 . 0 0 "[ . 1 . 2]" 1
118 1 13 GLN QB 1 14 GLN H 2.600 . 3.400 2.515 2.163 2.748 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLN HB2 1 13 GLN HB3 1.700 . 2.000 1.580 1.567 1.588 . 0 0 "[ . 1 . 2]" 1
120 1 13 GLN QB 1 14 GLN H 2.900 . 3.900 2.544 2.172 2.794 . 0 0 "[ . 1 . 2]" 1
121 1 13 GLN QB 1 16 GLN H 3.000 . 4.100 4.221 4.096 4.306 0.206 3 0 "[ . 1 . 2]" 1
122 1 13 GLN HE21 1 13 GLN QG 2.500 . 3.300 2.243 2.140 2.834 . 0 0 "[ . 1 . 2]" 1
123 1 14 GLN H 1 14 GLN HA 2.600 . 3.500 2.824 2.741 2.882 . 0 0 "[ . 1 . 2]" 1
124 1 14 GLN H 1 14 GLN HB2 2.800 . 3.400 2.416 2.191 2.627 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLN H 1 14 GLN HB3 2.800 . 3.800 3.571 3.497 3.627 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLN H 1 14 GLN HG2 2.900 . 3.900 3.216 2.472 3.678 . 0 0 "[ . 1 . 2]" 1
127 1 14 GLN H 1 14 GLN HG3 2.600 . 3.400 2.686 1.984 3.851 0.451 3 0 "[ . 1 . 2]" 1
128 1 14 GLN H 1 15 GLN H 3.000 . 4.100 2.695 2.484 3.005 . 0 0 "[ . 1 . 2]" 1
129 1 14 GLN H 1 15 GLN HB2 3.000 . 4.100 4.117 3.934 4.225 0.125 18 0 "[ . 1 . 2]" 1
130 1 14 GLN HA 1 14 GLN HB2 2.900 . 3.600 3.008 2.971 3.023 . 0 0 "[ . 1 . 2]" 1
131 1 14 GLN HA 1 14 GLN HB3 2.800 . 3.300 2.520 2.428 2.639 . 0 0 "[ . 1 . 2]" 1
132 1 14 GLN HA 1 14 GLN HG2 2.800 . 3.600 2.515 2.261 2.720 . 0 0 "[ . 1 . 2]" 1
133 1 14 GLN HA 1 14 GLN HG3 2.800 . 3.800 3.269 2.924 3.716 . 0 0 "[ . 1 . 2]" 1
134 1 14 GLN HA 1 15 GLN H 2.800 . 3.800 3.302 3.097 3.485 . 0 0 "[ . 1 . 2]" 1
135 1 14 GLN HB2 1 14 GLN HG3 2.900 . 3.900 2.378 2.202 2.502 . 0 0 "[ . 1 . 2]" 1
136 1 14 GLN HB2 1 15 GLN H 2.800 . 3.800 2.576 2.114 3.037 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLN HB2 1 88 HIS HD2 3.100 . 4.300 2.289 1.982 2.648 0.018 9 0 "[ . 1 . 2]" 1
138 1 14 GLN HB3 1 14 GLN HG2 2.600 . 3.400 2.621 2.381 2.994 . 0 0 "[ . 1 . 2]" 1
139 1 14 GLN HB3 1 14 GLN HG3 2.900 . 3.900 2.884 2.559 3.012 . 0 0 "[ . 1 . 2]" 1
140 1 14 GLN HB3 1 15 GLN H 2.900 . 3.900 3.487 3.134 3.664 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLN HB3 1 17 THR HB 2.700 . 3.600 2.963 2.663 3.118 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLN HB3 1 88 HIS HD2 2.700 . 3.600 2.389 2.030 2.840 . 0 0 "[ . 1 . 2]" 1
143 1 14 GLN HE21 1 14 GLN HG2 3.100 . 4.300 2.833 2.200 3.469 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLN HE21 1 14 GLN HG3 3.200 . 4.500 2.852 2.216 3.492 . 0 0 "[ . 1 . 2]" 1
145 1 14 GLN HE21 1 88 HIS HE1 3.200 . 4.400 3.715 2.526 4.819 0.419 13 0 "[ . 1 . 2]" 1
146 1 14 GLN HE22 1 14 GLN HG2 2.800 . 3.800 3.749 3.466 4.051 0.251 4 0 "[ . 1 . 2]" 1
147 1 14 GLN HE22 1 14 GLN HG3 2.900 . 3.900 3.764 3.471 4.064 0.164 2 0 "[ . 1 . 2]" 1
148 1 15 GLN H 1 15 GLN HA 2.400 . 3.100 2.755 2.718 2.780 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLN H 1 15 GLN HB2 2.200 . 2.800 2.463 2.352 2.516 . 0 0 "[ . 1 . 2]" 1
150 1 15 GLN H 1 15 GLN HB2 2.400 . 3.100 2.398 2.299 2.438 . 0 0 "[ . 1 . 2]" 1
151 1 15 GLN H 1 15 GLN HG2 2.400 . 3.100 3.298 3.246 3.385 0.285 2 0 "[ . 1 . 2]" 1
152 1 15 GLN H 1 15 GLN HG3 2.500 . 3.100 2.276 2.058 2.734 . 0 0 "[ . 1 . 2]" 1
153 1 15 GLN HA 1 15 GLN HB2 2.400 . 3.100 3.009 2.987 3.016 . 0 0 "[ . 1 . 2]" 1
154 1 15 GLN HA 1 15 GLN HB2 2.100 . 2.700 2.293 2.106 2.394 . 0 0 "[ . 1 . 2]" 1
155 1 15 GLN HA 1 15 GLN HB3 2.400 . 3.100 2.512 2.486 2.579 . 0 0 "[ . 1 . 2]" 1
156 1 15 GLN HA 1 15 GLN HB3 2.100 . 2.600 2.233 2.080 2.325 . 0 0 "[ . 1 . 2]" 1
157 1 15 GLN HA 1 15 GLN HG2 2.400 . 3.100 2.380 2.153 2.514 . 0 0 "[ . 1 . 2]" 1
158 1 15 GLN HA 1 15 GLN HG3 2.400 . 3.100 3.069 2.900 3.238 0.138 6 0 "[ . 1 . 2]" 1
159 1 15 GLN HA 1 16 GLN HA 3.000 . 4.100 4.151 4.096 4.207 0.107 5 0 "[ . 1 . 2]" 1
160 1 15 GLN HA 1 18 LEU HB3 3.000 . 4.100 4.034 3.704 4.198 0.098 3 0 "[ . 1 . 2]" 1
161 1 15 GLN HA 1 18 LEU HB3 2.900 . 3.900 3.807 3.562 4.024 0.124 1 0 "[ . 1 . 2]" 1
162 1 15 GLN HA 1 19 ALA H 3.200 . 4.500 3.652 3.399 3.861 . 0 0 "[ . 1 . 2]" 1
163 1 15 GLN HA 1 88 HIS HB2 3.300 . 4.600 3.749 3.500 4.026 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLN HA 1 88 HIS HD2 3.200 . 4.500 4.501 3.932 4.700 0.200 13 0 "[ . 1 . 2]" 1
165 1 15 GLN HB2 1 16 GLN H 2.200 . 2.800 2.476 2.337 2.978 0.178 9 0 "[ . 1 . 2]" 1
166 1 15 GLN HE21 1 15 GLN HG2 2.500 . 3.300 2.638 2.185 3.046 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLN HE21 1 15 GLN HG3 2.700 . 3.600 2.449 2.218 2.978 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLN HE21 1 81 HIS HE1 3.100 . 4.300 3.920 2.698 4.339 0.039 12 0 "[ . 1 . 2]" 1
169 1 16 GLN H 1 16 GLN HA 2.300 . 2.900 2.825 2.790 2.900 . 0 0 "[ . 1 . 2]" 1
170 1 16 GLN H 1 16 GLN HB3 2.300 . 2.900 2.911 2.623 3.639 0.739 9 5 "[ * +* * . -]" 1
171 1 16 GLN H 1 16 GLN HG2 2.400 . 3.100 2.160 1.806 3.203 0.103 9 0 "[ . 1 . 2]" 1
172 1 16 GLN H 1 16 GLN QG 2.600 . 3.400 2.034 1.800 2.207 0.000 20 0 "[ . 1 . 2]" 1
173 1 16 GLN H 1 16 GLN HG3 2.500 . 3.300 3.040 1.958 3.448 0.148 13 0 "[ . 1 . 2]" 1
174 1 16 GLN H 1 17 THR H 2.600 . 3.400 2.689 2.530 2.881 . 0 0 "[ . 1 . 2]" 1
175 1 16 GLN QB 1 17 THR H 2.600 . 3.400 3.039 1.938 3.393 . 0 0 "[ . 1 . 2]" 1
176 1 16 GLN HB2 1 17 THR H 2.600 . 3.500 3.248 1.950 3.674 0.174 4 0 "[ . 1 . 2]" 1
177 1 16 GLN HB3 1 16 GLN QG 1.800 . 2.200 2.309 2.260 2.392 0.192 5 0 "[ . 1 . 2]" 1
178 1 16 GLN HE21 1 16 GLN HG2 2.500 . 3.300 2.566 2.207 3.464 0.164 16 0 "[ . 1 . 2]" 1
179 1 16 GLN HG2 1 17 THR H 2.900 . 3.900 3.103 2.530 4.510 0.610 5 2 "[ + -1 . 2]" 1
180 1 16 GLN HG3 1 17 THR H 3.000 . 4.200 2.566 1.924 4.406 0.206 13 0 "[ . 1 . 2]" 1
181 1 17 THR H 1 17 THR HA 2.700 . 3.100 2.782 2.732 2.839 . 0 0 "[ . 1 . 2]" 1
182 1 17 THR H 1 17 THR HB 2.300 . 3.000 2.526 2.431 2.695 . 0 0 "[ . 1 . 2]" 1
183 1 17 THR H 1 18 LEU H 2.700 . 3.600 2.883 2.516 3.032 . 0 0 "[ . 1 . 2]" 1
184 1 17 THR HA 1 17 THR HB 2.200 . 2.800 2.398 2.112 2.437 . 0 0 "[ . 1 . 2]" 1
185 1 17 THR HA 1 20 THR H 2.500 . 3.300 2.786 2.705 2.829 . 0 0 "[ . 1 . 2]" 1
186 1 17 THR HB 1 18 LEU H 2.600 . 3.400 2.168 2.058 2.859 . 0 0 "[ . 1 . 2]" 1
187 1 17 THR HB 1 18 LEU H 2.200 . 2.800 2.049 1.966 2.341 . 0 0 "[ . 1 . 2]" 1
188 1 17 THR HB 1 18 LEU H 2.200 . 2.800 2.151 2.027 2.651 . 0 0 "[ . 1 . 2]" 1
189 1 17 THR HB 1 19 ALA H 3.000 . 4.200 3.993 3.936 4.169 . 0 0 "[ . 1 . 2]" 1
190 1 18 LEU H 1 18 LEU HA 2.500 . 3.300 2.770 2.737 2.905 . 0 0 "[ . 1 . 2]" 1
191 1 18 LEU H 1 18 LEU HB2 2.600 . 3.400 2.278 2.225 2.626 . 0 0 "[ . 1 . 2]" 1
192 1 18 LEU H 1 18 LEU HB3 2.700 . 3.600 3.496 3.476 3.623 0.023 16 0 "[ . 1 . 2]" 1
193 1 18 LEU H 1 18 LEU HG 2.600 . 3.400 3.573 2.071 3.771 0.371 8 0 "[ . 1 . 2]" 1
194 1 18 LEU H 1 19 ALA H 2.700 . 3.600 2.758 2.274 2.888 . 0 0 "[ . 1 . 2]" 1
195 1 18 LEU HA 1 18 LEU HB3 2.600 . 3.400 2.563 2.375 2.598 . 0 0 "[ . 1 . 2]" 1
196 1 18 LEU HA 1 18 LEU HG 2.200 . 2.800 2.280 2.207 2.458 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU HA 1 18 LEU HG 2.000 . 2.500 2.274 2.226 2.431 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU HA 1 19 ALA H 2.600 . 3.400 2.617 2.597 2.633 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU HA 1 21 LEU HB3 2.200 . 2.800 1.826 1.723 1.951 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU HB2 1 19 ALA H 2.600 . 3.500 2.717 2.537 2.832 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU HB3 1 18 LEU HG 2.400 . 3.100 2.447 2.343 3.007 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU HB3 1 19 ALA H 3.000 . 4.200 3.494 3.262 3.833 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU HG 1 19 ALA H 3.100 . 4.300 3.446 3.243 3.576 . 0 0 "[ . 1 . 2]" 1
204 1 19 ALA H 1 19 ALA HA 2.400 . 3.100 2.819 2.792 2.837 . 0 0 "[ . 1 . 2]" 1
205 1 19 ALA H 1 19 ALA HA 2.400 . 3.100 2.751 2.719 2.775 . 0 0 "[ . 1 . 2]" 1
206 1 19 ALA H 1 20 THR H 2.700 . 3.500 2.598 2.539 2.695 . 0 0 "[ . 1 . 2]" 1
207 1 19 ALA HA 1 22 VAL H 2.700 . 3.600 3.272 3.171 3.356 . 0 0 "[ . 1 . 2]" 1
208 1 19 ALA HA 1 23 ALA H 2.900 . 4.000 3.772 3.562 4.026 0.026 20 0 "[ . 1 . 2]" 1
209 1 19 ALA HA 1 22 VAL HB 2.400 . 3.100 4.362 3.277 4.822 1.722 10 19 "[*********+****-** **]" 1
210 1 20 THR H 1 20 THR HA 2.400 . 3.100 2.896 2.862 2.915 . 0 0 "[ . 1 . 2]" 1
211 1 20 THR H 1 20 THR HB 2.300 . 2.900 2.581 2.522 2.678 . 0 0 "[ . 1 . 2]" 1
212 1 20 THR H 1 20 THR HB 2.100 . 2.600 2.252 2.168 2.346 . 0 0 "[ . 1 . 2]" 1
213 1 20 THR H 1 21 LEU H 2.700 . 3.600 2.265 2.167 2.411 . 0 0 "[ . 1 . 2]" 1
214 1 20 THR HA 1 20 THR HB 2.300 . 2.900 3.017 3.010 3.021 0.121 1 0 "[ . 1 . 2]" 1
215 1 20 THR HA 1 23 ALA H 2.700 . 3.600 3.296 3.134 3.465 . 0 0 "[ . 1 . 2]" 1
216 1 20 THR HB 1 21 LEU H 2.500 . 3.300 2.680 2.537 2.833 . 0 0 "[ . 1 . 2]" 1
217 1 20 THR HB 1 21 LEU HB2 2.600 . 3.500 3.372 3.162 3.623 0.123 13 0 "[ . 1 . 2]" 1
218 1 21 LEU H 1 21 LEU HA 2.400 . 3.100 2.787 2.761 2.843 . 0 0 "[ . 1 . 2]" 1
219 1 21 LEU H 1 21 LEU HB2 2.500 . 3.100 2.650 2.537 2.754 . 0 0 "[ . 1 . 2]" 1
220 1 21 LEU H 1 21 LEU HB3 2.500 . 3.100 2.349 2.293 2.472 . 0 0 "[ . 1 . 2]" 1
221 1 21 LEU H 1 22 VAL H 2.700 . 3.600 2.909 2.754 2.956 . 0 0 "[ . 1 . 2]" 1
222 1 21 LEU HA 1 21 LEU HB2 2.200 . 2.800 2.377 2.353 2.436 . 0 0 "[ . 1 . 2]" 1
223 1 21 LEU HA 1 21 LEU HB2 2.600 . 3.400 2.195 2.158 2.223 . 0 0 "[ . 1 . 2]" 1
224 1 21 LEU HA 1 21 LEU HB2 2.300 . 3.000 2.161 2.134 2.204 . 0 0 "[ . 1 . 2]" 1
225 1 21 LEU HA 1 21 LEU HB3 2.300 . 3.000 3.005 2.996 3.017 0.017 18 0 "[ . 1 . 2]" 1
226 1 21 LEU HA 1 21 LEU HG 2.400 . 3.100 3.074 2.900 3.186 0.086 16 0 "[ . 1 . 2]" 1
227 1 21 LEU HA 1 22 VAL H 2.800 . 3.800 3.544 3.528 3.554 . 0 0 "[ . 1 . 2]" 1
228 1 21 LEU HA 1 24 ALA H 2.700 . 3.600 3.643 3.527 3.694 0.094 3 0 "[ . 1 . 2]" 1
229 1 21 LEU HB2 1 22 VAL H 2.800 . 3.800 3.662 3.589 3.698 . 0 0 "[ . 1 . 2]" 1
230 1 21 LEU HB2 1 22 VAL HA 3.200 . 4.500 4.255 3.982 4.606 0.106 7 0 "[ . 1 . 2]" 1
231 1 21 LEU HB3 1 22 VAL H 2.500 . 3.300 2.191 2.104 2.243 . 0 0 "[ . 1 . 2]" 1
232 1 21 LEU HG 1 22 VAL H 2.900 . 3.800 2.841 2.737 3.124 . 0 0 "[ . 1 . 2]" 1
233 1 21 LEU HG 1 22 VAL HA 2.800 . 3.800 3.086 2.958 3.566 . 0 0 "[ . 1 . 2]" 1
234 1 22 VAL H 1 22 VAL HA 2.400 . 3.100 2.776 2.728 2.793 . 0 0 "[ . 1 . 2]" 1
235 1 22 VAL H 1 22 VAL HB 2.300 . 2.900 2.584 2.540 2.805 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL H 1 23 ALA H 2.600 . 3.300 2.823 2.779 2.900 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL HA 1 22 VAL HB 2.600 . 3.300 2.433 2.384 3.011 . 0 0 "[ . 1 . 2]" 1
238 1 22 VAL HA 1 23 ALA H 2.500 . 3.300 3.079 2.918 3.210 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL HA 1 26 THR H 3.200 . 4.500 3.868 3.611 4.093 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL HB 1 44 PHE HZ 2.900 . 3.900 3.736 3.171 3.996 0.096 14 0 "[ . 1 . 2]" 1
241 1 23 ALA H 1 23 ALA HA 2.300 . 3.000 2.792 2.772 2.810 . 0 0 "[ . 1 . 2]" 1
242 1 23 ALA H 1 23 ALA HA 2.400 . 3.100 2.699 2.681 2.715 . 0 0 "[ . 1 . 2]" 1
243 1 23 ALA H 1 26 THR HB 3.300 . 4.700 4.829 4.797 4.857 0.157 8 0 "[ . 1 . 2]" 1
244 1 23 ALA HA 1 24 ALA H 2.400 . 3.100 2.721 2.706 2.735 . 0 0 "[ . 1 . 2]" 1
245 1 23 ALA HA 1 26 THR H 3.000 . 4.100 3.551 3.350 3.786 . 0 0 "[ . 1 . 2]" 1
246 1 23 ALA HA 1 26 THR H 2.900 . 3.900 3.680 3.436 3.983 0.083 10 0 "[ . 1 . 2]" 1
247 1 23 ALA HA 1 38 ILE HG13 2.700 . 3.600 2.877 2.251 3.203 . 0 0 "[ . 1 . 2]" 1
248 1 24 ALA H 1 24 ALA HA 2.300 . 3.000 2.706 2.691 2.719 . 0 0 "[ . 1 . 2]" 1
249 1 24 ALA HA 1 27 ALA H 2.800 . 3.800 3.525 3.343 3.645 . 0 0 "[ . 1 . 2]" 1
250 1 24 ALA HA 1 35 PRO HB3 2.300 . 3.000 1.888 1.728 2.337 . 0 0 "[ . 1 . 2]" 1
251 1 24 ALA HA 1 35 PRO HB3 2.200 . 2.800 2.047 1.809 2.237 . 0 0 "[ . 1 . 2]" 1
252 1 25 ALA H 1 25 ALA HA 2.400 . 3.000 2.802 2.778 2.823 . 0 0 "[ . 1 . 2]" 1
253 1 25 ALA H 1 26 THR H 2.600 . 3.300 2.797 2.690 2.873 . 0 0 "[ . 1 . 2]" 1
254 1 25 ALA HA 1 26 THR H 2.600 . 3.500 3.189 3.084 3.256 . 0 0 "[ . 1 . 2]" 1
255 1 26 THR H 1 26 THR HA 2.400 . 3.100 2.838 2.801 2.870 . 0 0 "[ . 1 . 2]" 1
256 1 26 THR H 1 26 THR HB 2.500 . 3.300 2.445 2.397 2.530 . 0 0 "[ . 1 . 2]" 1
257 1 26 THR HA 1 26 THR HB 2.500 . 3.000 2.522 2.481 2.552 . 0 0 "[ . 1 . 2]" 1
258 1 26 THR HA 1 29 VAL H 2.300 . 3.000 2.605 2.519 2.728 . 0 0 "[ . 1 . 2]" 1
259 1 26 THR HB 1 57 LEU HG 2.900 . 3.900 3.039 2.518 4.075 0.175 9 0 "[ . 1 . 2]" 1
260 1 27 ALA H 1 27 ALA HA 2.600 . 3.300 2.837 2.813 2.860 . 0 0 "[ . 1 . 2]" 1
261 1 27 ALA HA 1 28 THR H 3.000 . 4.100 3.452 3.399 3.535 . 0 0 "[ . 1 . 2]" 1
262 1 27 ALA HA 1 30 LEU HB2 2.900 . 4.000 3.278 2.903 3.832 . 0 0 "[ . 1 . 2]" 1
263 1 27 ALA HA 1 32 HIS HD2 3.500 . 5.100 4.981 3.949 5.386 0.286 13 0 "[ . 1 . 2]" 1
264 1 27 ALA HA 1 32 HIS HE1 3.100 . 3.800 2.825 2.041 3.748 . 0 0 "[ . 1 . 2]" 1
265 1 27 ALA HA 1 33 HIS QB 3.000 . 4.100 3.737 2.946 4.280 0.180 18 0 "[ . 1 . 2]" 1
266 1 28 THR H 1 28 THR HA 2.600 . 3.100 2.888 2.820 2.908 . 0 0 "[ . 1 . 2]" 1
267 1 28 THR H 1 28 THR HB 2.200 . 2.800 2.519 2.434 2.597 . 0 0 "[ . 1 . 2]" 1
268 1 28 THR H 1 29 VAL H 2.700 . 3.600 2.398 2.290 2.658 . 0 0 "[ . 1 . 2]" 1
269 1 28 THR HA 1 29 VAL H 2.600 . 3.400 3.525 3.487 3.546 0.146 2 0 "[ . 1 . 2]" 1
270 1 28 THR HA 1 29 VAL H 2.300 . 2.900 2.727 2.669 2.763 . 0 0 "[ . 1 . 2]" 1
271 1 29 VAL H 1 29 VAL HA 2.300 . 3.000 2.840 2.765 2.889 . 0 0 "[ . 1 . 2]" 1
272 1 29 VAL H 1 30 LEU H 2.600 . 3.500 2.581 2.380 3.020 . 0 0 "[ . 1 . 2]" 1
273 1 29 VAL HA 1 29 VAL HB 2.100 . 2.600 2.376 2.264 2.949 0.349 16 0 "[ . 1 . 2]" 1
274 1 29 VAL HA 1 30 LEU H 2.800 . 3.800 3.504 3.467 3.547 . 0 0 "[ . 1 . 2]" 1
275 1 29 VAL HB 1 30 LEU H 2.800 . 3.800 3.744 2.022 4.094 0.294 1 0 "[ . 1 . 2]" 1
276 1 29 VAL HB 1 53 THR HB 2.600 . 3.500 3.182 2.337 3.561 0.061 16 0 "[ . 1 . 2]" 1
277 1 29 VAL HB 1 53 THR HB 2.600 . 3.500 2.981 2.316 3.254 . 0 0 "[ . 1 . 2]" 1
278 1 30 LEU H 1 30 LEU HA 2.500 . 3.300 2.889 2.768 2.915 . 0 0 "[ . 1 . 2]" 1
279 1 30 LEU H 1 30 LEU HB2 2.500 . 3.300 2.481 2.240 2.593 . 0 0 "[ . 1 . 2]" 1
280 1 30 LEU H 1 30 LEU HB2 2.700 . 3.600 2.407 2.199 2.517 . 0 0 "[ . 1 . 2]" 1
281 1 30 LEU H 1 30 LEU HB3 2.800 . 3.800 2.922 1.987 3.427 . 0 0 "[ . 1 . 2]" 1
282 1 30 LEU H 1 30 LEU HG 2.500 . 3.300 2.622 2.332 3.701 0.401 3 0 "[ . 1 . 2]" 1
283 1 30 LEU HA 1 30 LEU HB2 2.300 . 2.900 2.441 2.373 2.485 . 0 0 "[ . 1 . 2]" 1
284 1 30 LEU HA 1 30 LEU HB3 2.700 . 3.600 2.462 2.411 2.586 . 0 0 "[ . 1 . 2]" 1
285 1 30 LEU HA 1 31 GLY H 2.700 . 3.600 2.933 2.143 3.554 . 0 0 "[ . 1 . 2]" 1
286 1 30 LEU HB2 1 31 GLY H 3.000 . 4.100 3.268 2.583 4.251 0.151 17 0 "[ . 1 . 2]" 1
287 1 30 LEU HB2 1 32 HIS HD2 3.100 . 4.300 3.687 1.903 4.327 0.027 2 0 "[ . 1 . 2]" 1
288 1 30 LEU HB3 1 32 HIS HD2 2.800 . 3.800 3.081 1.998 3.813 0.013 8 0 "[ . 1 . 2]" 1
289 1 30 LEU HG 1 32 HIS HE1 3.400 . 4.800 4.331 3.641 5.857 1.057 16 3 "[ . 1- .+* 2]" 1
290 1 31 GLY H 1 31 GLY HA2 2.500 . 3.300 2.583 2.289 2.937 . 0 0 "[ . 1 . 2]" 1
291 1 31 GLY H 1 31 GLY HA3 2.500 . 3.100 2.567 2.281 2.857 . 0 0 "[ . 1 . 2]" 1
292 1 32 HIS HA 1 32 HIS HB2 2.500 . 3.300 2.420 2.397 2.484 . 0 0 "[ . 1 . 2]" 1
293 1 32 HIS HA 1 33 HIS H 2.600 . 3.500 3.066 2.198 3.492 . 0 0 "[ . 1 . 2]" 1
294 1 33 HIS HA 1 33 HIS QB 2.500 . 3.100 2.355 2.208 2.469 . 0 0 "[ . 1 . 2]" 1
295 1 33 HIS QB 1 33 HIS HD2 2.800 . 3.800 2.812 2.605 3.208 . 0 0 "[ . 1 . 2]" 1
296 1 34 THR HA 1 35 PRO QD 2.700 . 3.600 1.813 1.701 1.929 0.099 15 0 "[ . 1 . 2]" 1
297 1 34 THR HA 1 35 PRO QD 2.700 . 3.600 1.790 1.697 1.866 0.103 10 0 "[ . 1 . 2]" 1
298 1 34 THR HB 1 35 PRO HB2 2.800 . 3.800 3.860 3.486 4.042 0.242 7 0 "[ . 1 . 2]" 1
299 1 34 THR HB 1 35 PRO QD 2.600 . 3.400 4.175 3.909 4.334 0.934 11 20 [*-********+*********] 1
300 1 34 THR HB 1 36 GLU QG 3.100 . 4.300 5.008 4.434 6.080 1.780 11 11 "[ *.*** *+ - . ****]" 1
301 1 34 THR HB 1 37 SER H 2.500 . 3.300 2.682 2.593 2.809 . 0 0 "[ . 1 . 2]" 1
302 1 35 PRO HA 1 35 PRO HB2 2.300 . 2.900 2.954 2.904 2.984 0.084 8 0 "[ . 1 . 2]" 1
303 1 35 PRO HA 1 35 PRO QB 2.000 . 2.500 2.214 2.195 2.232 . 0 0 "[ . 1 . 2]" 1
304 1 35 PRO HA 1 35 PRO HB3 2.300 . 3.000 2.287 2.269 2.305 . 0 0 "[ . 1 . 2]" 1
305 1 35 PRO HA 1 35 PRO QD 3.100 . 4.300 3.438 3.366 3.490 . 0 0 "[ . 1 . 2]" 1
306 1 35 PRO HA 1 38 ILE HG13 2.200 . 2.800 2.094 1.889 2.235 . 0 0 "[ . 1 . 2]" 1
307 1 35 PRO HB2 1 35 PRO QD 2.400 . 3.100 2.389 2.231 2.581 . 0 0 "[ . 1 . 2]" 1
308 1 35 PRO HB2 1 36 GLU H 2.900 . 4.000 2.980 2.642 3.258 . 0 0 "[ . 1 . 2]" 1
309 1 35 PRO HB2 1 36 GLU H 2.400 . 3.100 2.210 1.974 2.474 . 0 0 "[ . 1 . 2]" 1
310 1 35 PRO HB3 1 36 GLU H 3.000 . 4.200 4.162 3.978 4.285 0.085 14 0 "[ . 1 . 2]" 1
311 1 35 PRO QD 1 35 PRO HG2 2.000 . 2.500 1.840 1.830 1.849 . 0 0 "[ . 1 . 2]" 1
312 1 35 PRO QD 1 36 GLU H 3.500 . 5.000 2.472 2.108 2.769 . 0 0 "[ . 1 . 2]" 1
313 1 35 PRO QD 1 36 GLU HB2 2.800 . 3.600 3.450 2.431 4.021 0.421 13 0 "[ . 1 . 2]" 1
314 1 35 PRO HG2 1 36 GLU H 3.100 . 4.300 4.107 3.770 4.270 . 0 0 "[ . 1 . 2]" 1
315 1 36 GLU H 1 36 GLU HA 2.700 . 3.600 2.788 2.699 2.833 . 0 0 "[ . 1 . 2]" 1
316 1 36 GLU H 1 36 GLU QB 2.500 . 3.300 2.297 1.996 2.618 . 0 0 "[ . 1 . 2]" 1
317 1 36 GLU H 1 36 GLU QG 2.700 . 3.400 2.934 1.824 3.824 0.424 7 0 "[ . 1 . 2]" 1
318 1 36 GLU H 1 37 SER H 3.100 . 3.600 2.614 2.468 2.970 . 0 0 "[ . 1 . 2]" 1
319 1 36 GLU HA 1 36 GLU QG 2.100 . 2.700 2.559 2.271 3.034 0.334 9 0 "[ . 1 . 2]" 1
320 1 36 GLU HA 1 37 SER H 2.800 . 3.700 3.471 3.383 3.566 . 0 0 "[ . 1 . 2]" 1
321 1 36 GLU QB 1 36 GLU QG 1.800 . 1.900 2.051 1.972 2.071 0.171 14 0 "[ . 1 . 2]" 1
322 1 36 GLU QB 1 37 SER H 2.700 . 3.600 2.800 2.383 3.035 . 0 0 "[ . 1 . 2]" 1
323 1 36 GLU QG 1 37 SER H 3.000 . 4.100 3.702 3.195 4.018 . 0 0 "[ . 1 . 2]" 1
324 1 37 SER H 1 37 SER HB2 2.800 . 3.800 2.834 2.538 3.559 . 0 0 "[ . 1 . 2]" 1
325 1 37 SER H 1 37 SER HB3 2.700 . 3.300 2.575 2.349 3.574 0.274 14 0 "[ . 1 . 2]" 1
326 1 37 SER H 1 38 ILE H 2.700 . 3.400 2.440 2.254 2.592 . 0 0 "[ . 1 . 2]" 1
327 1 37 SER HA 1 37 SER HB2 2.200 . 2.800 2.496 2.406 3.023 0.223 14 0 "[ . 1 . 2]" 1
328 1 37 SER HA 1 38 ILE H 2.800 . 3.300 3.196 3.073 3.353 0.053 7 0 "[ . 1 . 2]" 1
329 1 37 SER HB3 1 38 ILE H 3.000 . 4.100 3.803 3.174 4.361 0.261 14 0 "[ . 1 . 2]" 1
330 1 38 ILE H 1 38 ILE HA 2.400 . 3.200 2.885 2.833 2.918 . 0 0 "[ . 1 . 2]" 1
331 1 38 ILE H 1 38 ILE HA 2.500 . 3.300 2.548 2.513 2.581 . 0 0 "[ . 1 . 2]" 1
332 1 38 ILE H 1 38 ILE HB 2.300 . 3.000 2.516 2.398 2.644 . 0 0 "[ . 1 . 2]" 1
333 1 38 ILE H 1 38 ILE HG12 2.500 . 3.300 2.937 1.947 3.439 0.139 20 0 "[ . 1 . 2]" 1
334 1 38 ILE H 1 38 ILE HG13 2.500 . 3.300 2.715 2.000 3.431 0.131 18 0 "[ . 1 . 2]" 1
335 1 38 ILE HA 1 38 ILE HB 2.500 . 3.300 3.016 3.006 3.025 . 0 0 "[ . 1 . 2]" 1
336 1 38 ILE HA 1 38 ILE HG12 2.400 . 3.100 2.410 2.167 2.705 . 0 0 "[ . 1 . 2]" 1
337 1 38 ILE HA 1 39 SER H 2.300 . 3.000 2.157 2.100 2.206 . 0 0 "[ . 1 . 2]" 1
338 1 38 ILE HA 1 39 SER H 2.100 . 2.700 2.041 1.995 2.082 . 0 0 "[ . 1 . 2]" 1
339 1 38 ILE HB 1 38 ILE HG12 2.300 . 3.000 2.861 2.530 3.026 0.026 9 0 "[ . 1 . 2]" 1
340 1 38 ILE HB 1 38 ILE HG13 2.400 . 3.100 2.366 2.300 2.441 . 0 0 "[ . 1 . 2]" 1
341 1 39 SER H 1 39 SER HB2 2.300 . 3.000 2.520 2.467 2.571 . 0 0 "[ . 1 . 2]" 1
342 1 39 SER HA 1 40 PRO HD2 2.900 . 4.000 2.059 1.887 2.204 . 0 0 "[ . 1 . 2]" 1
343 1 39 SER HA 1 40 PRO HD3 2.800 . 3.800 2.335 2.261 2.430 . 0 0 "[ . 1 . 2]" 1
344 1 39 SER QB 1 40 PRO QG 2.900 . 3.900 3.977 3.906 4.046 0.146 13 0 "[ . 1 . 2]" 1
345 1 39 SER HB3 1 41 ALA H 2.600 . 3.500 3.062 2.895 3.142 . 0 0 "[ . 1 . 2]" 1
346 1 39 SER HB3 1 41 ALA H 2.300 . 2.900 2.611 2.518 2.651 . 0 0 "[ . 1 . 2]" 1
347 1 40 PRO HA 1 40 PRO HB2 2.300 . 2.600 2.706 2.688 2.752 0.152 1 0 "[ . 1 . 2]" 1
348 1 40 PRO HA 1 40 PRO HB3 2.300 . 2.800 2.290 2.258 2.304 . 0 0 "[ . 1 . 2]" 1
349 1 40 PRO HA 1 41 ALA H 3.000 . 4.200 3.512 3.483 3.541 . 0 0 "[ . 1 . 2]" 1
350 1 40 PRO HA 1 81 HIS H 2.400 . 3.100 2.435 2.365 2.508 . 0 0 "[ . 1 . 2]" 1
351 1 40 PRO HB2 1 41 ALA H 2.800 . 3.800 3.319 3.003 3.421 . 0 0 "[ . 1 . 2]" 1
352 1 40 PRO HB2 1 81 HIS H 2.500 . 3.300 3.351 3.212 3.473 0.173 7 0 "[ . 1 . 2]" 1
353 1 40 PRO HB2 1 81 HIS H 2.900 . 3.900 3.478 3.295 3.608 . 0 0 "[ . 1 . 2]" 1
354 1 40 PRO HB2 1 81 HIS HB2 2.600 . 3.400 1.987 1.817 2.254 . 0 0 "[ . 1 . 2]" 1
355 1 40 PRO HB3 1 40 PRO HD3 2.900 . 4.000 2.831 2.774 2.901 . 0 0 "[ . 1 . 2]" 1
356 1 40 PRO HB3 1 41 ALA H 3.000 . 4.200 4.141 3.995 4.189 . 0 0 "[ . 1 . 2]" 1
357 1 40 PRO HB3 1 81 HIS H 3.000 . 4.100 3.614 3.352 3.923 . 0 0 "[ . 1 . 2]" 1
358 1 40 PRO HB3 1 81 HIS HB2 2.900 . 3.400 2.475 2.268 2.839 . 0 0 "[ . 1 . 2]" 1
359 1 40 PRO HB3 1 81 HIS HB3 2.900 . 3.900 3.959 3.728 4.441 0.541 1 1 "[+ . 1 . 2]" 1
360 1 40 PRO HD2 1 40 PRO QG 2.000 . 2.500 2.185 2.178 2.190 . 0 0 "[ . 1 . 2]" 1
361 1 40 PRO HD2 1 41 ALA H 2.900 . 3.900 2.869 2.721 3.034 . 0 0 "[ . 1 . 2]" 1
362 1 40 PRO HD3 1 40 PRO QG 2.200 . 2.800 2.255 2.243 2.264 . 0 0 "[ . 1 . 2]" 1
363 1 40 PRO HD3 1 41 ALA H 3.100 . 4.300 3.946 3.858 4.015 . 0 0 "[ . 1 . 2]" 1
364 1 40 PRO HG2 1 41 ALA H 2.800 . 3.400 2.294 2.237 2.382 . 0 0 "[ . 1 . 2]" 1
365 1 40 PRO HG2 1 81 HIS QB 3.000 . 4.200 4.085 3.971 4.273 0.073 15 0 "[ . 1 . 2]" 1
366 1 40 PRO HG3 1 41 ALA H 2.800 . 3.800 3.869 3.828 3.940 0.140 12 0 "[ . 1 . 2]" 1
367 1 41 ALA H 1 41 ALA HA 2.500 . 3.000 2.882 2.846 2.926 . 0 0 "[ . 1 . 2]" 1
368 1 41 ALA HA 1 42 THR H 2.600 . 3.400 3.357 3.146 3.449 0.049 16 0 "[ . 1 . 2]" 1
369 1 42 THR H 1 42 THR HA 2.000 . 2.500 2.501 2.445 2.528 0.028 20 0 "[ . 1 . 2]" 1
370 1 42 THR H 1 42 THR HB 2.200 . 2.800 2.737 2.649 2.777 . 0 0 "[ . 1 . 2]" 1
371 1 42 THR HA 1 43 ALA H 2.000 . 2.500 2.257 2.205 2.324 . 0 0 "[ . 1 . 2]" 1
372 1 42 THR HA 1 46 ASP QB 3.100 . 4.300 4.340 4.109 4.425 0.125 19 0 "[ . 1 . 2]" 1
373 1 42 THR HB 1 43 ALA H 2.500 . 3.300 3.512 3.436 3.585 0.285 6 0 "[ . 1 . 2]" 1
374 1 43 ALA H 1 43 ALA HA 2.500 . 3.300 2.913 2.900 2.930 . 0 0 "[ . 1 . 2]" 1
375 1 43 ALA H 1 46 ASP QB 2.800 . 3.800 2.965 2.604 3.146 . 0 0 "[ . 1 . 2]" 1
376 1 43 ALA HA 1 44 PHE H 2.300 . 2.700 2.209 2.136 2.276 . 0 0 "[ . 1 . 2]" 1
377 1 43 ALA HA 1 45 LYS H 2.900 . 3.900 3.979 3.897 4.051 0.151 2 0 "[ . 1 . 2]" 1
378 1 44 PHE H 1 44 PHE HA 2.800 . 3.500 2.773 2.748 2.818 . 0 0 "[ . 1 . 2]" 1
379 1 44 PHE H 1 44 PHE HB2 2.600 . 3.500 2.332 2.258 2.403 . 0 0 "[ . 1 . 2]" 1
380 1 44 PHE H 1 44 PHE HB3 3.000 . 4.100 3.571 3.539 3.601 . 0 0 "[ . 1 . 2]" 1
381 1 44 PHE H 1 45 LYS H 2.900 . 4.000 2.747 2.564 2.875 . 0 0 "[ . 1 . 2]" 1
382 1 44 PHE HA 1 44 PHE HB2 2.800 . 3.800 2.992 2.976 3.009 . 0 0 "[ . 1 . 2]" 1
383 1 44 PHE HA 1 44 PHE QB 2.500 . 3.300 2.450 2.425 2.471 . 0 0 "[ . 1 . 2]" 1
384 1 44 PHE HA 1 44 PHE HB3 2.800 . 3.800 2.602 2.558 2.640 . 0 0 "[ . 1 . 2]" 1
385 1 44 PHE HA 1 47 LEU H 2.900 . 3.900 2.977 2.813 3.285 . 0 0 "[ . 1 . 2]" 1
386 1 44 PHE HA 1 47 LEU H 2.700 . 3.600 2.464 2.409 2.524 . 0 0 "[ . 1 . 2]" 1
387 1 44 PHE HA 1 47 LEU HB3 2.600 . 3.400 3.137 2.958 3.357 . 0 0 "[ . 1 . 2]" 1
388 1 44 PHE HA 1 79 THR H 3.000 . 4.200 4.234 4.083 4.288 0.088 1 0 "[ . 1 . 2]" 1
389 1 44 PHE QB 1 45 LYS H 2.500 . 3.300 2.839 2.708 3.007 . 0 0 "[ . 1 . 2]" 1
390 1 44 PHE HB2 1 45 LYS H 3.100 . 4.300 2.969 2.818 3.180 . 0 0 "[ . 1 . 2]" 1
391 1 44 PHE HB2 1 49 ILE HB 2.600 . 3.400 3.308 3.127 3.447 0.047 10 0 "[ . 1 . 2]" 1
392 1 44 PHE HB3 1 45 LYS H 3.100 . 4.300 3.620 3.508 3.710 . 0 0 "[ . 1 . 2]" 1
393 1 44 PHE HB3 1 49 ILE HB 2.600 . 3.300 1.921 1.828 1.982 . 0 0 "[ . 1 . 2]" 1
394 1 44 PHE HB3 1 49 ILE HG12 3.000 . 4.100 2.847 2.377 3.048 . 0 0 "[ . 1 . 2]" 1
395 1 44 PHE HB3 1 49 ILE HG13 2.900 . 4.000 1.951 1.836 2.131 . 0 0 "[ . 1 . 2]" 1
396 1 44 PHE HZ 1 80 PRO HA 2.500 . 3.100 2.525 2.236 2.807 . 0 0 "[ . 1 . 2]" 1
397 1 44 PHE HZ 1 80 PRO HG3 3.000 . 4.100 3.664 3.280 3.982 . 0 0 "[ . 1 . 2]" 1
398 1 44 PHE HZ 1 83 LEU HG 3.100 . 4.300 4.258 3.752 4.544 0.244 7 0 "[ . 1 . 2]" 1
399 1 45 LYS H 1 45 LYS HA 2.400 . 3.100 2.742 2.687 2.829 . 0 0 "[ . 1 . 2]" 1
400 1 45 LYS H 1 45 LYS HB2 2.300 . 3.000 2.408 2.038 3.549 0.549 2 1 "[ + . 1 . 2]" 1
401 1 45 LYS H 1 45 LYS HB3 2.300 . 2.900 2.812 2.042 3.580 0.680 12 3 "[ . * + .- 2]" 1
402 1 45 LYS H 1 46 ASP H 2.600 . 3.400 2.851 2.511 3.060 . 0 0 "[ . 1 . 2]" 1
403 1 45 LYS HA 1 45 LYS HB2 2.200 . 2.800 2.600 2.194 2.990 0.190 12 0 "[ . 1 . 2]" 1
404 1 45 LYS HA 1 45 LYS HB3 2.400 . 3.100 2.843 2.307 3.005 . 0 0 "[ . 1 . 2]" 1
405 1 45 LYS HA 1 45 LYS QD 2.700 . 3.600 3.576 2.520 4.076 0.476 16 0 "[ . 1 . 2]" 1
406 1 45 LYS HA 1 45 LYS QG 2.500 . 2.800 2.462 2.227 3.236 0.436 2 0 "[ . 1 . 2]" 1
407 1 45 LYS HA 1 48 GLY H 2.400 . 3.100 2.759 2.610 2.820 . 0 0 "[ . 1 . 2]" 1
408 1 45 LYS HA 1 49 ILE HB 2.900 . 3.900 3.418 3.068 3.874 . 0 0 "[ . 1 . 2]" 1
409 1 45 LYS HB2 1 45 LYS QG 2.000 . 2.500 2.268 2.123 2.498 . 0 0 "[ . 1 . 2]" 1
410 1 45 LYS HB3 1 45 LYS QG . . 2.000 1.896 1.840 1.951 . 0 0 "[ . 1 . 2]" 1
411 1 45 LYS HB3 1 46 ASP QB 3.100 . 4.300 3.691 3.013 4.500 0.200 16 0 "[ . 1 . 2]" 1
412 1 45 LYS HB3 1 45 LYS QG 2.000 . 2.500 2.334 2.137 2.478 . 0 0 "[ . 1 . 2]" 1
413 1 45 LYS HB3 1 46 ASP H 2.500 . 3.300 2.565 1.821 3.990 0.690 2 1 "[ + . 1 . 2]" 1
414 1 45 LYS QD 1 45 LYS QE 1.900 . 2.200 2.072 2.000 2.092 . 0 0 "[ . 1 . 2]" 1
415 1 45 LYS QE 1 45 LYS QG 2.300 . 2.500 2.314 2.082 2.699 0.199 3 0 "[ . 1 . 2]" 1
416 1 45 LYS QE 1 46 ASP H 3.300 . 4.700 3.652 2.942 5.000 0.300 12 0 "[ . 1 . 2]" 1
417 1 45 LYS QG 1 46 ASP H 2.900 . 4.000 3.589 1.994 4.268 0.268 13 0 "[ . 1 . 2]" 1
418 1 46 ASP H 1 46 ASP HA 2.400 . 3.100 2.823 2.744 2.909 . 0 0 "[ . 1 . 2]" 1
419 1 46 ASP H 1 46 ASP HB2 2.400 . 3.100 2.430 2.238 2.693 . 0 0 "[ . 1 . 2]" 1
420 1 46 ASP H 1 46 ASP QB 2.200 . 2.800 2.249 2.201 2.342 . 0 0 "[ . 1 . 2]" 1
421 1 46 ASP H 1 47 LEU H 2.500 . 3.300 2.639 2.296 2.895 . 0 0 "[ . 1 . 2]" 1
422 1 46 ASP HA 1 46 ASP QB 2.400 . 3.100 2.224 2.142 2.326 . 0 0 "[ . 1 . 2]" 1
423 1 46 ASP QB 1 47 LEU H 2.900 . 3.900 2.760 2.599 2.939 . 0 0 "[ . 1 . 2]" 1
424 1 47 LEU H 1 47 LEU HA 2.500 . 3.100 2.839 2.813 2.872 . 0 0 "[ . 1 . 2]" 1
425 1 47 LEU H 1 47 LEU HB2 2.600 . 3.400 2.328 2.259 2.417 . 0 0 "[ . 1 . 2]" 1
426 1 47 LEU H 1 47 LEU HB2 2.300 . 2.900 2.144 2.049 2.222 . 0 0 "[ . 1 . 2]" 1
427 1 47 LEU H 1 47 LEU HB3 2.300 . 3.000 2.413 2.323 2.492 . 0 0 "[ . 1 . 2]" 1
428 1 47 LEU H 1 48 GLY H 2.400 . 3.100 2.590 2.422 2.697 . 0 0 "[ . 1 . 2]" 1
429 1 47 LEU HA 1 47 LEU HB2 2.700 . 3.600 2.997 2.979 3.014 . 0 0 "[ . 1 . 2]" 1
430 1 47 LEU HA 1 47 LEU HB3 2.100 . 2.600 2.582 2.483 2.646 0.046 10 0 "[ . 1 . 2]" 1
431 1 47 LEU HA 1 48 GLY H 2.900 . 3.900 3.471 3.446 3.515 . 0 0 "[ . 1 . 2]" 1
432 1 47 LEU HA 1 48 GLY H 2.400 . 3.100 2.803 2.796 2.810 . 0 0 "[ . 1 . 2]" 1
433 1 47 LEU HB2 1 48 GLY H 3.000 . 4.100 3.137 3.033 3.206 . 0 0 "[ . 1 . 2]" 1
434 1 48 GLY H 1 48 GLY HA2 2.300 . 3.000 2.513 2.480 2.557 . 0 0 "[ . 1 . 2]" 1
435 1 48 GLY H 1 48 GLY HA2 2.200 . 2.800 2.428 2.397 2.482 . 0 0 "[ . 1 . 2]" 1
436 1 48 GLY H 1 48 GLY HA3 2.300 . 3.000 2.759 2.716 2.788 . 0 0 "[ . 1 . 2]" 1
437 1 48 GLY HA2 1 49 ILE H 2.900 . 4.000 3.220 3.091 3.351 . 0 0 "[ . 1 . 2]" 1
438 1 49 ILE H 1 49 ILE HA 2.800 . 3.800 2.839 2.795 2.894 . 0 0 "[ . 1 . 2]" 1
439 1 49 ILE H 1 49 ILE HB 2.200 . 2.800 2.347 2.289 2.388 . 0 0 "[ . 1 . 2]" 1
440 1 49 ILE H 1 49 ILE HG12 2.600 . 3.500 2.373 2.225 2.596 . 0 0 "[ . 1 . 2]" 1
441 1 49 ILE HA 1 49 ILE HB 2.800 . 3.800 3.006 2.997 3.017 . 0 0 "[ . 1 . 2]" 1
442 1 49 ILE HA 1 50 ASP H 2.300 . 2.800 2.128 2.112 2.157 . 0 0 "[ . 1 . 2]" 1
443 1 49 ILE HB 1 49 ILE QG 2.400 . 3.100 2.179 2.168 2.187 . 0 0 "[ . 1 . 2]" 1
444 1 50 ASP H 1 50 ASP QB 3.100 . 4.300 2.530 2.446 2.709 . 0 0 "[ . 1 . 2]" 1
445 1 50 ASP HA 1 50 ASP QB 3.000 . 4.100 2.373 2.341 2.441 . 0 0 "[ . 1 . 2]" 1
446 1 50 ASP HA 1 51 SER H 2.400 . 3.100 2.437 2.167 2.860 . 0 0 "[ . 1 . 2]" 1
447 1 50 ASP QB 1 51 SER H 2.500 . 3.100 2.278 1.855 2.518 . 0 0 "[ . 1 . 2]" 1
448 1 50 ASP QB 1 51 SER HA 3.300 . 4.700 4.190 4.087 4.564 . 0 0 "[ . 1 . 2]" 1
449 1 50 ASP QB 1 52 LEU H 3.600 . 5.000 2.464 2.113 2.851 . 0 0 "[ . 1 . 2]" 1
450 1 51 SER H 1 51 SER HA 2.600 . 3.000 2.517 2.292 2.868 . 0 0 "[ . 1 . 2]" 1
451 1 51 SER H 1 52 LEU H 3.000 . 4.100 2.721 2.331 3.044 . 0 0 "[ . 1 . 2]" 1
452 1 51 SER H 1 52 LEU H 2.600 . 3.500 2.648 2.299 2.931 . 0 0 "[ . 1 . 2]" 1
453 1 51 SER HA 1 52 LEU H 3.000 . 3.300 3.424 3.356 3.499 0.199 19 0 "[ . 1 . 2]" 1
454 1 51 SER HA 1 54 ALA H 2.800 . 3.800 3.233 3.047 3.510 . 0 0 "[ . 1 . 2]" 1
455 1 52 LEU H 1 52 LEU HA 2.600 . 3.300 2.822 2.739 2.883 . 0 0 "[ . 1 . 2]" 1
456 1 52 LEU H 1 52 LEU HB2 2.400 . 3.100 2.657 2.305 3.248 0.148 1 0 "[ . 1 . 2]" 1
457 1 52 LEU H 1 52 LEU HB2 2.300 . 3.000 1.936 1.734 2.575 . 0 0 "[ . 1 . 2]" 1
458 1 52 LEU H 1 53 THR H 2.400 . 3.100 2.673 2.404 2.851 . 0 0 "[ . 1 . 2]" 1
459 1 52 LEU H 1 53 THR HA 3.400 . 4.900 4.690 4.601 4.842 . 0 0 "[ . 1 . 2]" 1
460 1 52 LEU H 1 54 ALA H 3.000 . 4.100 3.654 3.452 3.822 . 0 0 "[ . 1 . 2]" 1
461 1 52 LEU HA 1 52 LEU HB2 2.300 . 3.000 2.893 2.325 3.004 0.004 7 0 "[ . 1 . 2]" 1
462 1 52 LEU HA 1 52 LEU HB2 2.100 . 2.600 2.669 2.209 2.768 0.168 9 0 "[ . 1 . 2]" 1
463 1 52 LEU HA 1 52 LEU HB3 2.300 . 3.000 2.461 2.218 3.001 0.001 8 0 "[ . 1 . 2]" 1
464 1 52 LEU HA 1 52 LEU HG 2.400 . 3.100 3.145 2.760 3.277 0.177 9 0 "[ . 1 . 2]" 1
465 1 52 LEU HA 1 53 THR H 3.300 . 4.100 3.533 3.512 3.574 . 0 0 "[ . 1 . 2]" 1
466 1 52 LEU HA 1 55 LEU H 3.000 . 4.100 4.061 3.563 4.300 0.200 8 0 "[ . 1 . 2]" 1
467 1 52 LEU HB2 1 54 ALA H 3.000 . 4.100 3.556 3.432 3.739 . 0 0 "[ . 1 . 2]" 1
468 1 52 LEU HB2 1 53 THR H 2.500 . 3.300 2.490 2.058 3.849 0.549 19 1 "[ . 1 . +2]" 1
469 1 52 LEU HB2 1 53 THR HA 2.800 . 3.800 3.396 3.250 3.719 . 0 0 "[ . 1 . 2]" 1
470 1 52 LEU HB3 1 53 THR H 2.600 . 3.100 3.362 2.092 4.086 0.986 5 6 "[* * + *1 - . * 2]" 1
471 1 52 LEU HG 1 53 THR H 2.800 . 3.800 3.761 3.471 3.903 0.103 12 0 "[ . 1 . 2]" 1
472 1 53 THR H 1 53 THR HA 2.600 . 3.300 2.858 2.813 2.884 . 0 0 "[ . 1 . 2]" 1
473 1 53 THR H 1 53 THR HB 2.700 . 3.600 3.518 3.474 3.556 . 0 0 "[ . 1 . 2]" 1
474 1 53 THR HA 1 54 ALA H 3.000 . 4.100 3.393 3.341 3.427 . 0 0 "[ . 1 . 2]" 1
475 1 53 THR HA 1 55 LEU H 3.200 . 4.500 3.972 3.776 4.176 . 0 0 "[ . 1 . 2]" 1
476 1 53 THR HA 1 55 LEU H 2.600 . 3.400 2.796 2.788 2.815 . 0 0 "[ . 1 . 2]" 1
477 1 53 THR HA 1 56 GLU H 2.400 . 3.100 2.939 2.807 3.006 . 0 0 "[ . 1 . 2]" 1
478 1 53 THR HA 1 56 GLU H 2.400 . 3.100 2.550 2.505 2.583 . 0 0 "[ . 1 . 2]" 1
479 1 53 THR HA 1 56 GLU HB2 1.900 . 2.400 2.043 1.966 2.136 . 0 0 "[ . 1 . 2]" 1
480 1 53 THR HA 1 56 GLU HG3 2.100 . 2.700 2.313 2.127 2.521 . 0 0 "[ . 1 . 2]" 1
481 1 53 THR HA 1 57 LEU H 3.200 . 4.500 3.824 3.535 4.110 . 0 0 "[ . 1 . 2]" 1
482 1 53 THR HB 1 54 ALA H 3.000 . 4.100 3.864 3.736 3.956 . 0 0 "[ . 1 . 2]" 1
483 1 54 ALA H 1 54 ALA HA 2.600 . 3.300 2.803 2.778 2.831 . 0 0 "[ . 1 . 2]" 1
484 1 54 ALA H 1 55 LEU H 2.700 . 3.600 2.702 2.598 2.778 . 0 0 "[ . 1 . 2]" 1
485 1 54 ALA HA 1 55 LEU H 3.000 . 4.200 3.548 3.529 3.569 . 0 0 "[ . 1 . 2]" 1
486 1 54 ALA HA 1 57 LEU H 3.100 . 4.300 3.682 3.465 3.903 . 0 0 "[ . 1 . 2]" 1
487 1 54 ALA HA 1 57 LEU HB2 2.700 . 3.600 3.163 2.792 3.716 0.116 9 0 "[ . 1 . 2]" 1
488 1 54 ALA HA 1 57 LEU HB3 2.900 . 3.900 3.279 2.931 3.437 . 0 0 "[ . 1 . 2]" 1
489 1 54 ALA HA 1 74 ILE HB 2.600 . 3.500 2.856 2.704 2.927 . 0 0 "[ . 1 . 2]" 1
490 1 54 ALA HA 1 74 ILE QG 2.800 . 3.800 2.422 2.240 2.630 . 0 0 "[ . 1 . 2]" 1
491 1 55 LEU H 1 55 LEU HA 2.500 . 3.300 2.859 2.839 2.886 . 0 0 "[ . 1 . 2]" 1
492 1 55 LEU H 1 55 LEU HB3 2.400 . 3.000 2.787 2.726 2.868 . 0 0 "[ . 1 . 2]" 1
493 1 55 LEU H 1 55 LEU HG 2.500 . 2.800 1.968 1.853 2.188 . 0 0 "[ . 1 . 2]" 1
494 1 55 LEU H 1 56 GLU H 2.500 . 3.300 2.503 2.387 2.556 . 0 0 "[ . 1 . 2]" 1
495 1 55 LEU H 1 56 GLU HB2 3.200 . 4.500 4.625 4.489 4.676 0.176 1 0 "[ . 1 . 2]" 1
496 1 55 LEU HA 1 56 GLU H 2.900 . 4.000 3.526 3.501 3.557 . 0 0 "[ . 1 . 2]" 1
497 1 55 LEU HA 1 58 ARG QD 2.900 . 4.000 2.622 2.097 2.982 . 0 0 "[ . 1 . 2]" 1
498 1 55 LEU HB2 1 59 ASN HD22 3.000 . 4.100 3.356 2.872 3.763 . 0 0 "[ . 1 . 2]" 1
499 1 55 LEU HG 1 56 GLU H 2.800 . 3.300 2.426 2.281 2.545 . 0 0 "[ . 1 . 2]" 1
500 1 56 GLU H 1 56 GLU HA 2.300 . 3.000 2.799 2.777 2.816 . 0 0 "[ . 1 . 2]" 1
501 1 56 GLU H 1 56 GLU HB2 2.300 . 2.700 2.490 2.425 2.584 . 0 0 "[ . 1 . 2]" 1
502 1 56 GLU H 1 56 GLU HG2 2.400 . 3.100 2.021 1.906 2.133 . 0 0 "[ . 1 . 2]" 1
503 1 56 GLU H 1 56 GLU HG3 2.400 . 3.100 3.324 3.283 3.391 0.291 3 0 "[ . 1 . 2]" 1
504 1 56 GLU H 1 57 LEU H 2.700 . 3.600 2.744 2.671 2.833 . 0 0 "[ . 1 . 2]" 1
505 1 56 GLU HA 1 56 GLU HG2 2.300 . 2.900 2.881 2.763 2.990 0.090 17 0 "[ . 1 . 2]" 1
506 1 56 GLU HA 1 59 ASN H 2.600 . 3.400 3.394 3.315 3.489 0.089 3 0 "[ . 1 . 2]" 1
507 1 56 GLU HA 1 59 ASN QB 2.700 . 3.300 2.270 2.212 2.325 . 0 0 "[ . 1 . 2]" 1
508 1 56 GLU HA 1 59 ASN QB 2.600 . 3.500 2.254 2.198 2.308 . 0 0 "[ . 1 . 2]" 1
509 1 56 GLU HA 1 59 ASN HD21 2.700 . 3.400 1.760 1.715 1.835 0.085 3 0 "[ . 1 . 2]" 1
510 1 56 GLU HA 1 59 ASN HD22 2.900 . 3.900 3.069 3.003 3.143 . 0 0 "[ . 1 . 2]" 1
511 1 56 GLU QB 1 56 GLU HG3 1.900 . 2.300 2.141 2.130 2.148 . 0 0 "[ . 1 . 2]" 1
512 1 56 GLU QB 1 59 ASN QB 3.200 . 4.300 3.793 3.730 3.890 . 0 0 "[ . 1 . 2]" 1
513 1 56 GLU QB 1 59 ASN HD22 3.400 . 4.800 4.907 4.859 4.942 0.142 5 0 "[ . 1 . 2]" 1
514 1 56 GLU HB2 1 57 LEU H 2.400 . 3.100 2.526 2.437 2.631 . 0 0 "[ . 1 . 2]" 1
515 1 56 GLU HG3 1 57 LEU H 3.100 . 4.300 4.706 4.590 4.806 0.506 3 1 "[ + . 1 . 2]" 1
516 1 57 LEU H 1 57 LEU HA 2.600 . 3.400 2.789 2.765 2.813 . 0 0 "[ . 1 . 2]" 1
517 1 57 LEU H 1 57 LEU HB2 2.500 . 3.300 2.098 2.038 2.382 . 0 0 "[ . 1 . 2]" 1
518 1 57 LEU H 1 57 LEU HB3 2.600 . 3.300 2.907 2.382 3.089 . 0 0 "[ . 1 . 2]" 1
519 1 57 LEU H 1 57 LEU HG 2.900 . 4.000 4.034 3.853 4.354 0.354 9 0 "[ . 1 . 2]" 1
520 1 57 LEU H 1 58 ARG H 2.900 . 4.000 2.817 2.671 2.932 . 0 0 "[ . 1 . 2]" 1
521 1 57 LEU HA 1 57 LEU HB2 2.500 . 3.300 2.669 2.438 2.756 . 0 0 "[ . 1 . 2]" 1
522 1 57 LEU HA 1 57 LEU HB3 2.700 . 3.600 2.959 2.915 3.000 . 0 0 "[ . 1 . 2]" 1
523 1 57 LEU HA 1 57 LEU HG 2.400 . 3.100 2.527 2.414 3.322 0.222 9 0 "[ . 1 . 2]" 1
524 1 57 LEU HA 1 58 ARG H 2.300 . 2.900 2.639 2.603 2.677 . 0 0 "[ . 1 . 2]" 1
525 1 57 LEU HB2 1 57 LEU HG 2.300 . 3.000 2.478 2.375 2.963 . 0 0 "[ . 1 . 2]" 1
526 1 58 ARG H 1 58 ARG HA 2.700 . 3.400 2.788 2.754 2.836 . 0 0 "[ . 1 . 2]" 1
527 1 58 ARG H 1 58 ARG QD 3.500 . 4.800 4.285 3.886 4.625 . 0 0 "[ . 1 . 2]" 1
528 1 58 ARG H 1 58 ARG QG 3.200 . 4.300 3.104 2.011 3.951 . 0 0 "[ . 1 . 2]" 1
529 1 58 ARG H 1 59 ASN H 2.600 . 3.500 2.725 2.542 2.845 . 0 0 "[ . 1 . 2]" 1
530 1 58 ARG HA 1 58 ARG QD 3.200 . 4.500 3.574 2.461 4.037 . 0 0 "[ . 1 . 2]" 1
531 1 58 ARG HA 1 58 ARG QD 3.200 . 4.400 3.524 2.458 3.927 . 0 0 "[ . 1 . 2]" 1
532 1 58 ARG HA 1 58 ARG QG 2.700 . 3.600 2.728 2.299 3.331 . 0 0 "[ . 1 . 2]" 1
533 1 58 ARG HA 1 59 ASN H 3.000 . 4.200 3.527 3.454 3.556 . 0 0 "[ . 1 . 2]" 1
534 1 58 ARG HA 1 61 LEU H 3.100 . 4.300 3.284 2.924 3.845 . 0 0 "[ . 1 . 2]" 1
535 1 58 ARG HA 1 61 LEU QB 2.600 . 3.500 2.793 2.049 4.664 1.164 7 5 "[* * + 1 -* . 2]" 1
536 1 58 ARG HA 1 74 ILE QG 3.000 . 4.100 2.877 2.730 3.075 . 0 0 "[ . 1 . 2]" 1
537 1 58 ARG QD 1 58 ARG QG 2.700 . 3.600 2.037 1.975 2.097 . 0 0 "[ . 1 . 2]" 1
538 1 58 ARG QD 1 58 ARG QG 2.800 . 3.700 1.877 1.736 2.013 0.164 19 0 "[ . 1 . 2]" 1
539 1 58 ARG QD 1 71 PRO HA 2.900 . 4.000 2.779 2.108 3.428 . 0 0 "[ . 1 . 2]" 1
540 1 58 ARG QD 1 72 THR H 3.300 . 4.600 4.216 4.125 4.301 . 0 0 "[ . 1 . 2]" 1
541 1 58 ARG QD 1 73 LEU HG 3.100 . 4.300 3.105 2.401 4.179 . 0 0 "[ . 1 . 2]" 1
542 1 58 ARG QG 1 59 ASN H 2.400 . 3.100 2.922 2.276 3.363 0.263 19 0 "[ . 1 . 2]" 1
543 1 58 ARG QG 1 74 ILE H 2.900 . 4.000 2.041 1.891 2.640 . 0 0 "[ . 1 . 2]" 1
544 1 58 ARG QG 1 74 ILE QG 3.000 . 4.100 3.406 2.139 4.869 0.769 13 1 "[ . 1 + . 2]" 1
545 1 59 ASN H 1 59 ASN HA 2.500 . 3.300 2.761 2.734 2.795 . 0 0 "[ . 1 . 2]" 1
546 1 59 ASN H 1 59 ASN QB 2.600 . 3.100 2.335 2.256 2.425 . 0 0 "[ . 1 . 2]" 1
547 1 59 ASN H 1 60 THR H 2.600 . 3.500 2.841 2.711 2.944 . 0 0 "[ . 1 . 2]" 1
548 1 59 ASN QB 1 59 ASN HD21 2.600 . 3.300 2.178 2.165 2.190 . 0 0 "[ . 1 . 2]" 1
549 1 59 ASN QB 1 59 ASN HD22 2.800 . 3.500 3.205 3.195 3.214 . 0 0 "[ . 1 . 2]" 1
550 1 59 ASN QB 1 60 THR H 2.900 . 4.000 2.452 2.351 2.614 . 0 0 "[ . 1 . 2]" 1
551 1 60 THR H 1 60 THR HA 2.500 . 3.300 2.827 2.793 2.876 . 0 0 "[ . 1 . 2]" 1
552 1 60 THR H 1 60 THR HB 2.400 . 2.900 2.628 2.576 2.676 . 0 0 "[ . 1 . 2]" 1
553 1 60 THR H 1 61 LEU H 2.700 . 3.600 2.670 2.496 2.868 . 0 0 "[ . 1 . 2]" 1
554 1 60 THR HA 1 61 LEU H 2.800 . 3.800 3.559 3.533 3.602 . 0 0 "[ . 1 . 2]" 1
555 1 60 THR HA 1 61 LEU H 2.500 . 3.300 2.712 2.686 2.749 . 0 0 "[ . 1 . 2]" 1
556 1 60 THR HA 1 64 ASN H 2.700 . 3.600 3.178 2.920 3.337 . 0 0 "[ . 1 . 2]" 1
557 1 60 THR HA 1 63 HIS QB 2.600 . 3.300 2.823 2.167 3.118 . 0 0 "[ . 1 . 2]" 1
558 1 60 THR HB 1 61 LEU H 2.500 . 3.300 2.487 2.322 2.720 . 0 0 "[ . 1 . 2]" 1
559 1 61 LEU H 1 61 LEU HA 2.500 . 3.300 2.687 2.627 2.728 . 0 0 "[ . 1 . 2]" 1
560 1 61 LEU H 1 61 LEU QB 2.800 . 3.600 2.554 2.437 2.793 . 0 0 "[ . 1 . 2]" 1
561 1 61 LEU H 1 61 LEU HG 2.400 . 3.100 2.088 1.798 2.230 . 0 0 "[ . 1 . 2]" 1
562 1 61 LEU H 1 62 THR H 2.800 . 3.800 2.710 2.545 2.839 . 0 0 "[ . 1 . 2]" 1
563 1 61 LEU HA 1 61 LEU QB 2.600 . 3.500 2.309 2.143 2.383 . 0 0 "[ . 1 . 2]" 1
564 1 61 LEU HA 1 62 THR H 2.600 . 3.400 2.712 2.682 2.739 . 0 0 "[ . 1 . 2]" 1
565 1 61 LEU HA 1 65 THR H 2.600 . 3.500 3.124 2.886 3.267 . 0 0 "[ . 1 . 2]" 1
566 1 61 LEU HA 1 64 ASN HB2 2.800 . 3.800 3.083 2.121 3.918 0.118 10 0 "[ . 1 . 2]" 1
567 1 61 LEU HA 1 64 ASN HB3 2.800 . 3.600 3.430 2.560 3.944 0.344 17 0 "[ . 1 . 2]" 1
568 1 61 LEU QB 1 61 LEU HG 2.600 . 3.500 2.373 2.331 2.449 . 0 0 "[ . 1 . 2]" 1
569 1 61 LEU QB 1 62 THR H 3.000 . 4.100 2.743 2.237 3.673 . 0 0 "[ . 1 . 2]" 1
570 1 62 THR H 1 62 THR HA 2.800 . 3.600 2.821 2.777 2.857 . 0 0 "[ . 1 . 2]" 1
571 1 62 THR H 1 62 THR HB 2.300 . 3.000 2.569 2.444 2.701 . 0 0 "[ . 1 . 2]" 1
572 1 62 THR H 1 63 HIS H 2.800 . 3.800 2.627 2.449 2.770 . 0 0 "[ . 1 . 2]" 1
573 1 62 THR HA 1 63 HIS H 2.800 . 3.800 3.160 2.902 3.339 . 0 0 "[ . 1 . 2]" 1
574 1 62 THR HB 1 63 HIS H 2.400 . 3.100 2.398 2.237 2.576 . 0 0 "[ . 1 . 2]" 1
575 1 63 HIS H 1 63 HIS HA 2.400 . 3.100 2.839 2.800 2.878 . 0 0 "[ . 1 . 2]" 1
576 1 63 HIS H 1 63 HIS QB 2.400 . 3.100 2.290 2.199 2.436 . 0 0 "[ . 1 . 2]" 1
577 1 63 HIS H 1 64 ASN H 2.800 . 3.700 2.552 2.426 2.672 . 0 0 "[ . 1 . 2]" 1
578 1 63 HIS H 1 64 ASN H 2.700 . 3.600 2.228 2.070 2.339 . 0 0 "[ . 1 . 2]" 1
579 1 63 HIS HA 1 63 HIS QB 2.300 . 2.700 2.381 2.313 2.465 . 0 0 "[ . 1 . 2]" 1
580 1 63 HIS HA 1 64 ASN H 2.900 . 4.000 3.468 3.390 3.529 . 0 0 "[ . 1 . 2]" 1
581 1 63 HIS HA 1 64 ASN H 2.800 . 3.800 3.166 2.977 3.301 . 0 0 "[ . 1 . 2]" 1
582 1 63 HIS QB 1 63 HIS HD2 2.900 . 3.500 2.879 2.628 3.246 . 0 0 "[ . 1 . 2]" 1
583 1 63 HIS QB 1 64 ASN H 2.600 . 3.400 2.878 2.485 3.086 . 0 0 "[ . 1 . 2]" 1
584 1 64 ASN H 1 64 ASN HA 2.500 . 3.300 2.866 2.793 2.929 . 0 0 "[ . 1 . 2]" 1
585 1 64 ASN H 1 64 ASN HB2 2.600 . 3.400 2.403 2.140 2.663 . 0 0 "[ . 1 . 2]" 1
586 1 64 ASN H 1 64 ASN HB3 2.600 . 3.500 2.945 2.407 3.564 0.064 18 0 "[ . 1 . 2]" 1
587 1 64 ASN H 1 65 THR H 2.300 . 3.000 2.081 1.890 2.315 . 0 0 "[ . 1 . 2]" 1
588 1 64 ASN HA 1 64 ASN HB3 2.400 . 3.100 2.315 2.209 2.412 . 0 0 "[ . 1 . 2]" 1
589 1 64 ASN HA 1 64 ASN HD22 3.000 . 4.100 4.103 3.427 4.522 0.422 15 0 "[ . 1 . 2]" 1
590 1 64 ASN HA 1 65 THR H 2.300 . 3.000 2.767 2.729 2.797 . 0 0 "[ . 1 . 2]" 1
591 1 64 ASN HB2 1 64 ASN HD21 2.900 . 4.000 2.816 2.186 3.501 . 0 0 "[ . 1 . 2]" 1
592 1 64 ASN HB2 1 65 THR H 3.300 . 4.000 3.650 2.820 4.081 0.081 2 0 "[ . 1 . 2]" 1
593 1 64 ASN HB3 1 64 ASN HD21 3.000 . 4.100 2.899 2.195 3.523 . 0 0 "[ . 1 . 2]" 1
594 1 64 ASN HB3 1 65 THR H 3.100 . 4.000 3.146 2.429 4.027 0.027 1 0 "[ . 1 . 2]" 1
595 1 65 THR H 1 65 THR HA 2.700 . 3.600 2.911 2.837 2.945 . 0 0 "[ . 1 . 2]" 1
596 1 65 THR H 1 65 THR HB 3.000 . 4.100 3.618 3.535 3.690 . 0 0 "[ . 1 . 2]" 1
597 1 65 THR H 1 66 GLY H 2.600 . 3.400 2.252 2.022 2.603 . 0 0 "[ . 1 . 2]" 1
598 1 65 THR HA 1 65 THR HB 2.300 . 3.000 2.552 2.474 2.627 . 0 0 "[ . 1 . 2]" 1
599 1 65 THR HA 1 66 GLY H 2.800 . 3.800 3.520 3.410 3.565 . 0 0 "[ . 1 . 2]" 1
600 1 65 THR HB 1 67 LEU H 2.900 . 4.000 3.022 2.698 3.518 . 0 0 "[ . 1 . 2]" 1
601 1 65 THR HB 1 67 LEU H 2.400 . 3.100 2.621 2.488 2.780 . 0 0 "[ . 1 . 2]" 1
602 1 66 GLY H 1 66 GLY HA2 2.500 . 3.300 2.376 2.315 2.449 . 0 0 "[ . 1 . 2]" 1
603 1 66 GLY H 1 66 GLY HA3 2.500 . 3.300 2.927 2.876 2.958 . 0 0 "[ . 1 . 2]" 1
604 1 66 GLY H 1 67 LEU H 2.600 . 3.400 2.511 2.041 3.024 . 0 0 "[ . 1 . 2]" 1
605 1 67 LEU H 1 67 LEU HA 2.700 . 3.600 2.896 2.820 2.939 . 0 0 "[ . 1 . 2]" 1
606 1 67 LEU H 1 67 LEU QB 2.700 . 3.100 2.696 2.303 3.016 . 0 0 "[ . 1 . 2]" 1
607 1 67 LEU H 1 67 LEU HG 2.600 . 3.300 2.141 1.743 3.648 0.348 2 0 "[ . 1 . 2]" 1
608 1 67 LEU HA 1 67 LEU QB 2.600 . 3.400 2.232 2.129 2.391 . 0 0 "[ . 1 . 2]" 1
609 1 67 LEU HA 1 68 ASP H 2.200 . 2.800 2.622 2.106 2.728 . 0 0 "[ . 1 . 2]" 1
610 1 67 LEU QB 1 67 LEU HG 2.600 . 3.500 2.400 2.114 2.461 . 0 0 "[ . 1 . 2]" 1
611 1 67 LEU QB 1 68 ASP H 2.700 . 3.600 1.956 1.794 3.320 0.006 15 0 "[ . 1 . 2]" 1
612 1 68 ASP H 1 68 ASP HA 2.700 . 3.600 2.926 2.767 2.949 . 0 0 "[ . 1 . 2]" 1
613 1 68 ASP H 1 68 ASP HB2 2.500 . 3.300 2.914 2.280 3.127 . 0 0 "[ . 1 . 2]" 1
614 1 68 ASP H 1 68 ASP HB3 2.400 . 3.100 2.564 2.215 2.739 . 0 0 "[ . 1 . 2]" 1
615 1 68 ASP HA 1 68 ASP HB2 2.300 . 3.000 2.452 2.307 2.535 . 0 0 "[ . 1 . 2]" 1
616 1 68 ASP HA 1 68 ASP HB3 2.500 . 2.800 3.019 2.963 3.026 0.226 12 0 "[ . 1 . 2]" 1
617 1 68 ASP HA 1 69 LEU H 2.200 . 2.800 2.169 2.084 2.342 . 0 0 "[ . 1 . 2]" 1
618 1 68 ASP HB2 1 69 LEU H 3.100 . 4.300 4.169 3.915 4.391 0.091 15 0 "[ . 1 . 2]" 1
619 1 68 ASP HB3 1 69 LEU H 3.100 . 4.300 4.107 3.707 4.372 0.072 15 0 "[ . 1 . 2]" 1
620 1 69 LEU HA 1 70 PRO HG3 3.300 . 4.700 3.670 3.427 3.745 . 0 0 "[ . 1 . 2]" 1
621 1 70 PRO HA 1 70 PRO HB3 3.000 . 4.200 2.292 2.277 2.308 . 0 0 "[ . 1 . 2]" 1
622 1 70 PRO HB2 1 71 PRO QD 2.600 . 3.500 2.571 2.341 2.903 . 0 0 "[ . 1 . 2]" 1
623 1 70 PRO HB2 1 72 THR H 2.600 . 3.100 2.215 2.027 2.477 . 0 0 "[ . 1 . 2]" 1
624 1 70 PRO HB2 1 73 LEU H 3.200 . 4.500 3.263 3.035 3.373 . 0 0 "[ . 1 . 2]" 1
625 1 70 PRO HB3 1 70 PRO HD3 2.500 . 3.300 3.124 2.851 3.501 0.201 10 0 "[ . 1 . 2]" 1
626 1 70 PRO HB3 1 72 THR H 2.900 . 3.800 3.829 3.676 3.970 0.170 4 0 "[ . 1 . 2]" 1
627 1 70 PRO HD2 1 70 PRO HG3 2.600 . 3.500 2.781 2.678 2.934 . 0 0 "[ . 1 . 2]" 1
628 1 70 PRO HG2 1 72 THR H 3.100 . 4.300 3.683 3.369 4.060 . 0 0 "[ . 1 . 2]" 1
629 1 70 PRO HG2 1 73 LEU H 2.900 . 3.900 3.133 2.888 3.274 . 0 0 "[ . 1 . 2]" 1
630 1 70 PRO HG3 1 72 THR H 3.100 . 4.300 3.066 2.748 3.725 . 0 0 "[ . 1 . 2]" 1
631 1 70 PRO HG3 1 73 LEU H 3.300 . 4.700 4.774 4.580 4.861 0.161 18 0 "[ . 1 . 2]" 1
632 1 71 PRO HA 1 72 THR H 3.100 . 4.300 3.370 3.299 3.435 . 0 0 "[ . 1 . 2]" 1
633 1 71 PRO HB2 1 71 PRO QD 2.600 . 3.500 3.477 2.942 3.548 0.048 3 0 "[ . 1 . 2]" 1
634 1 71 PRO HB2 1 72 THR H 3.200 . 4.500 3.697 3.071 3.904 . 0 0 "[ . 1 . 2]" 1
635 1 71 PRO QD 1 72 THR H 3.000 . 4.100 2.859 2.448 3.041 . 0 0 "[ . 1 . 2]" 1
636 1 71 PRO HD3 1 72 THR H 2.900 . 3.900 3.974 3.663 4.089 0.189 15 0 "[ . 1 . 2]" 1
637 1 71 PRO QG 1 72 THR H 2.700 . 3.600 3.111 2.765 3.854 0.254 14 0 "[ . 1 . 2]" 1
638 1 72 THR H 1 72 THR HA 2.700 . 3.600 2.919 2.888 2.934 . 0 0 "[ . 1 . 2]" 1
639 1 72 THR H 1 73 LEU H 2.700 . 3.600 2.300 2.163 2.475 . 0 0 "[ . 1 . 2]" 1
640 1 72 THR HA 1 72 THR HB 2.300 . 3.000 2.584 2.531 2.614 . 0 0 "[ . 1 . 2]" 1
641 1 72 THR HA 1 73 LEU H 2.800 . 3.800 3.219 3.168 3.328 . 0 0 "[ . 1 . 2]" 1
642 1 72 THR HA 1 75 PHE H 2.700 . 3.600 3.220 3.072 3.337 . 0 0 "[ . 1 . 2]" 1
643 1 72 THR HA 1 75 PHE HB3 2.600 . 3.400 2.366 1.886 2.603 . 0 0 "[ . 1 . 2]" 1
644 1 72 THR HA 1 75 PHE HB2 2.500 . 3.300 2.299 1.866 3.217 . 0 0 "[ . 1 . 2]" 1
645 1 73 LEU H 1 73 LEU HA 2.600 . 3.300 2.677 2.635 2.747 . 0 0 "[ . 1 . 2]" 1
646 1 73 LEU H 1 73 LEU HB2 2.600 . 3.400 2.156 2.051 2.462 . 0 0 "[ . 1 . 2]" 1
647 1 73 LEU H 1 73 LEU HB3 2.700 . 3.100 2.945 2.744 3.609 0.509 7 1 "[ . + 1 . 2]" 1
648 1 73 LEU HA 1 73 LEU HB2 2.900 . 3.900 2.624 2.518 2.983 . 0 0 "[ . 1 . 2]" 1
649 1 73 LEU HA 1 73 LEU HB3 2.800 . 3.800 2.958 2.578 3.002 . 0 0 "[ . 1 . 2]" 1
650 1 73 LEU HA 1 73 LEU HG 2.900 . 3.900 3.558 2.861 3.673 . 0 0 "[ . 1 . 2]" 1
651 1 73 LEU HA 1 77 HIS H 2.700 . 3.600 3.374 3.237 3.410 . 0 0 "[ . 1 . 2]" 1
652 1 73 LEU HA 1 77 HIS HD2 2.800 . 3.800 2.911 2.548 3.676 . 0 0 "[ . 1 . 2]" 1
653 1 73 LEU HB2 1 74 ILE H 2.500 . 3.300 3.258 2.167 3.487 0.187 19 0 "[ . 1 . 2]" 1
654 1 73 LEU HB2 1 74 ILE QG 2.500 . 3.300 2.168 2.087 2.181 . 0 0 "[ . 1 . 2]" 1
655 1 73 LEU HB3 1 74 ILE H 3.100 . 4.300 2.050 1.893 2.731 0.007 15 0 "[ . 1 . 2]" 1
656 1 73 LEU HG 1 74 ILE H 3.200 . 4.500 4.390 3.632 4.545 0.045 1 0 "[ . 1 . 2]" 1
657 1 74 ILE H 1 74 ILE HA 2.700 . 3.600 2.873 2.859 2.890 . 0 0 "[ . 1 . 2]" 1
658 1 74 ILE H 1 74 ILE HB 2.500 . 3.300 2.552 2.438 2.699 . 0 0 "[ . 1 . 2]" 1
659 1 74 ILE H 1 74 ILE QG 2.600 . 3.400 2.092 1.917 2.213 . 0 0 "[ . 1 . 2]" 1
660 1 74 ILE H 1 75 PHE H 2.800 . 3.500 2.414 2.340 2.482 . 0 0 "[ . 1 . 2]" 1
661 1 74 ILE HA 1 74 ILE HB 2.400 . 3.100 3.022 3.012 3.027 . 0 0 "[ . 1 . 2]" 1
662 1 74 ILE HA 1 74 ILE QG 2.600 . 3.500 2.963 2.863 3.113 . 0 0 "[ . 1 . 2]" 1
663 1 74 ILE HA 1 75 PHE H 3.100 . 4.300 3.384 3.229 3.472 . 0 0 "[ . 1 . 2]" 1
664 1 74 ILE HA 1 77 HIS H 3.000 . 3.800 3.466 3.265 3.834 0.034 7 0 "[ . 1 . 2]" 1
665 1 74 ILE HB 1 74 ILE QG 2.300 . 2.900 2.183 2.180 2.189 . 0 0 "[ . 1 . 2]" 1
666 1 75 PHE H 1 75 PHE HB2 2.500 . 3.300 2.413 2.296 2.673 . 0 0 "[ . 1 . 2]" 1
667 1 75 PHE H 1 75 PHE HB3 2.600 . 3.400 3.163 2.329 3.551 0.151 16 0 "[ . 1 . 2]" 1
668 1 75 PHE H 1 76 ASP H 2.500 . 3.300 2.501 2.184 2.768 . 0 0 "[ . 1 . 2]" 1
669 1 75 PHE HA 1 75 PHE HB2 2.400 . 3.100 2.829 2.383 3.029 . 0 0 "[ . 1 . 2]" 1
670 1 75 PHE HA 1 75 PHE HB3 2.500 . 3.300 2.703 2.504 3.030 . 0 0 "[ . 1 . 2]" 1
671 1 75 PHE HB2 1 76 ASP H 2.700 . 3.600 3.049 2.458 3.840 0.240 6 0 "[ . 1 . 2]" 1
672 1 75 PHE HB3 1 76 ASP H 3.000 . 3.600 3.191 2.340 3.757 0.157 20 0 "[ . 1 . 2]" 1
673 1 76 ASP H 1 76 ASP HA 2.500 . 3.300 2.894 2.850 2.931 . 0 0 "[ . 1 . 2]" 1
674 1 76 ASP H 1 76 ASP HB2 2.500 . 3.300 2.365 2.217 2.701 . 0 0 "[ . 1 . 2]" 1
675 1 76 ASP H 1 76 ASP HB3 2.600 . 3.400 3.208 2.602 3.568 0.168 20 0 "[ . 1 . 2]" 1
676 1 76 ASP H 1 77 HIS H 2.500 . 3.300 2.410 2.189 2.631 . 0 0 "[ . 1 . 2]" 1
677 1 76 ASP HA 1 76 ASP HB2 2.500 . 3.100 2.830 2.523 3.018 . 0 0 "[ . 1 . 2]" 1
678 1 76 ASP HA 1 76 ASP HB3 2.200 . 2.800 2.763 2.533 3.018 0.218 7 0 "[ . 1 . 2]" 1
679 1 76 ASP HA 1 77 HIS H 2.700 . 3.600 3.554 3.510 3.588 . 0 0 "[ . 1 . 2]" 1
680 1 76 ASP HB2 1 77 HIS H 2.800 . 3.300 3.176 2.516 3.855 0.555 3 4 "[ + . * 1 - . * 2]" 1
681 1 76 ASP HB2 1 77 HIS HD2 2.800 . 3.800 3.296 2.866 3.615 . 0 0 "[ . 1 . 2]" 1
682 1 76 ASP HB2 1 77 HIS HD2 2.900 . 3.900 3.629 2.957 4.192 0.292 18 0 "[ . 1 . 2]" 1
683 1 76 ASP HB3 1 77 HIS H 2.800 . 3.800 3.132 2.403 3.659 . 0 0 "[ . 1 . 2]" 1
684 1 76 ASP HB3 1 77 HIS HD2 2.900 . 4.000 3.488 2.435 4.111 0.111 4 0 "[ . 1 . 2]" 1
685 1 77 HIS H 1 77 HIS HB2 2.600 . 3.400 3.013 2.705 3.151 . 0 0 "[ . 1 . 2]" 1
686 1 77 HIS H 1 77 HIS HB3 3.000 . 4.100 3.706 3.652 3.734 . 0 0 "[ . 1 . 2]" 1
687 1 77 HIS H 1 77 HIS HD2 3.000 . 4.100 3.060 2.594 3.273 . 0 0 "[ . 1 . 2]" 1
688 1 77 HIS HA 1 78 PRO HD3 2.900 . 3.900 3.065 2.914 3.241 . 0 0 "[ . 1 . 2]" 1
689 1 77 HIS HB2 1 77 HIS HD2 3.100 . 4.300 2.790 2.736 2.924 . 0 0 "[ . 1 . 2]" 1
690 1 77 HIS HB2 1 83 LEU H 3.300 . 4.700 4.652 4.385 4.783 0.083 19 0 "[ . 1 . 2]" 1
691 1 77 HIS HB2 1 83 LEU HA 2.700 . 3.600 3.661 3.146 3.751 0.151 17 0 "[ . 1 . 2]" 1
692 1 77 HIS HB3 1 77 HIS HD2 3.100 . 4.300 3.884 3.840 3.964 . 0 0 "[ . 1 . 2]" 1
693 1 77 HIS HB3 1 78 PRO HD3 2.500 . 3.300 3.098 3.063 3.142 . 0 0 "[ . 1 . 2]" 1
694 1 77 HIS HB3 1 83 LEU H 3.300 . 4.700 4.686 3.952 4.813 0.113 15 0 "[ . 1 . 2]" 1
695 1 78 PRO HA 1 79 THR H 2.800 . 3.800 2.177 2.147 2.197 . 0 0 "[ . 1 . 2]" 1
696 1 78 PRO QB 1 78 PRO HD2 2.500 . 3.300 3.491 3.473 3.498 0.198 19 0 "[ . 1 . 2]" 1
697 1 78 PRO QB 1 78 PRO HD3 2.900 . 3.900 3.126 3.087 3.173 . 0 0 "[ . 1 . 2]" 1
698 1 78 PRO QB 1 78 PRO HG3 2.200 . 2.800 2.181 2.175 2.184 . 0 0 "[ . 1 . 2]" 1
699 1 78 PRO QB 1 79 THR H 2.900 . 3.900 3.689 3.643 3.713 . 0 0 "[ . 1 . 2]" 1
700 1 78 PRO HD2 1 78 PRO QG 2.200 . 2.800 2.172 2.167 2.174 . 0 0 "[ . 1 . 2]" 1
701 1 78 PRO HD3 1 78 PRO HG2 2.600 . 3.500 2.929 2.914 2.939 . 0 0 "[ . 1 . 2]" 1
702 1 78 PRO HD3 1 78 PRO QG 2.400 . 3.100 2.197 2.190 2.202 . 0 0 "[ . 1 . 2]" 1
703 1 78 PRO HD3 1 78 PRO HG3 2.700 . 3.600 2.270 2.263 2.275 . 0 0 "[ . 1 . 2]" 1
704 1 79 THR H 1 79 THR HA 2.500 . 3.300 2.722 2.709 2.744 . 0 0 "[ . 1 . 2]" 1
705 1 79 THR HA 1 80 PRO HD2 2.400 . 3.100 2.601 2.131 2.680 . 0 0 "[ . 1 . 2]" 1
706 1 79 THR HA 1 80 PRO HD3 2.500 . 3.300 2.010 1.933 2.258 . 0 0 "[ . 1 . 2]" 1
707 1 79 THR HB 1 80 PRO HD2 2.700 . 3.600 3.030 2.187 3.200 . 0 0 "[ . 1 . 2]" 1
708 1 79 THR HB 1 80 PRO HD3 2.800 . 3.800 3.735 3.214 3.845 0.045 11 0 "[ . 1 . 2]" 1
709 1 79 THR HB 1 82 ALA H 2.700 . 3.600 2.278 2.025 2.954 . 0 0 "[ . 1 . 2]" 1
710 1 80 PRO HA 1 83 LEU H 2.900 . 4.000 3.845 3.713 3.967 . 0 0 "[ . 1 . 2]" 1
711 1 80 PRO HA 1 83 LEU HB2 2.700 . 3.600 2.822 2.564 2.867 . 0 0 "[ . 1 . 2]" 1
712 1 80 PRO HD2 1 80 PRO HG2 2.900 . 4.000 2.319 2.303 2.331 . 0 0 "[ . 1 . 2]" 1
713 1 80 PRO HD3 1 80 PRO HG2 2.800 . 3.800 2.688 2.671 2.716 . 0 0 "[ . 1 . 2]" 1
714 1 80 PRO HD3 1 80 PRO HG3 2.800 . 3.800 2.318 2.299 2.331 . 0 0 "[ . 1 . 2]" 1
715 1 81 HIS H 1 81 HIS HA 2.500 . 3.300 2.833 2.797 2.866 . 0 0 "[ . 1 . 2]" 1
716 1 81 HIS H 1 81 HIS QB 2.200 . 2.800 2.248 2.221 2.288 . 0 0 "[ . 1 . 2]" 1
717 1 81 HIS H 1 82 ALA H 2.800 . 3.700 2.635 2.542 2.880 . 0 0 "[ . 1 . 2]" 1
718 1 81 HIS HA 1 81 HIS QB 2.600 . 2.900 2.328 2.306 2.357 . 0 0 "[ . 1 . 2]" 1
719 1 81 HIS HA 1 84 THR H 3.000 . 4.100 3.365 3.187 3.638 . 0 0 "[ . 1 . 2]" 1
720 1 81 HIS HA 1 84 THR HB 3.000 . 4.100 2.701 2.451 3.343 . 0 0 "[ . 1 . 2]" 1
721 1 81 HIS HB3 1 81 HIS HD2 3.000 . 3.600 2.719 2.687 2.767 . 0 0 "[ . 1 . 2]" 1
722 1 81 HIS HB3 1 82 ALA H 2.700 . 3.300 2.780 2.400 2.948 . 0 0 "[ . 1 . 2]" 1
723 1 81 HIS HD2 1 82 ALA H 3.200 . 4.500 4.159 3.803 4.493 . 0 0 "[ . 1 . 2]" 1
724 1 81 HIS HD2 1 82 ALA HA 3.100 . 4.300 3.725 3.313 4.132 . 0 0 "[ . 1 . 2]" 1
725 1 81 HIS HD2 1 85 GLN QG 3.100 . 4.300 3.599 2.851 4.361 0.061 1 0 "[ . 1 . 2]" 1
726 1 81 HIS HE1 1 85 GLN HG2 3.200 . 4.500 4.254 3.643 4.533 0.033 2 0 "[ . 1 . 2]" 1
727 1 81 HIS HE1 1 85 GLN QG 3.000 . 4.100 4.034 3.551 4.232 0.132 15 0 "[ . 1 . 2]" 1
728 1 82 ALA H 1 82 ALA HA 2.400 . 3.100 2.830 2.801 2.861 . 0 0 "[ . 1 . 2]" 1
729 1 82 ALA H 1 83 LEU H 2.700 . 3.400 2.680 2.562 2.801 . 0 0 "[ . 1 . 2]" 1
730 1 82 ALA HA 1 83 LEU H 2.300 . 2.900 2.703 2.682 2.719 . 0 0 "[ . 1 . 2]" 1
731 1 82 ALA HA 1 85 GLN H 2.600 . 3.500 3.299 3.168 3.514 0.014 12 0 "[ . 1 . 2]" 1
732 1 82 ALA HA 1 85 GLN HB2 2.500 . 3.300 3.030 2.631 3.292 . 0 0 "[ . 1 . 2]" 1
733 1 82 ALA HA 1 85 GLN HB2 2.400 . 3.100 2.329 2.010 2.906 . 0 0 "[ . 1 . 2]" 1
734 1 82 ALA HA 1 85 GLN HG3 2.700 . 3.600 2.425 2.022 3.118 . 0 0 "[ . 1 . 2]" 1
735 1 83 LEU H 1 83 LEU HB2 2.300 . 2.900 2.376 2.214 2.427 . 0 0 "[ . 1 . 2]" 1
736 1 83 LEU H 1 83 LEU HB2 2.700 . 3.600 2.238 2.161 2.287 . 0 0 "[ . 1 . 2]" 1
737 1 83 LEU HA 1 86 HIS HB2 3.000 . 4.100 3.366 3.019 3.654 . 0 0 "[ . 1 . 2]" 1
738 1 83 LEU HA 1 86 HIS HB3 2.900 . 4.000 2.570 2.326 3.150 . 0 0 "[ . 1 . 2]" 1
739 1 83 LEU HB2 1 83 LEU HG 2.700 . 3.600 2.443 2.371 2.992 . 0 0 "[ . 1 . 2]" 1
740 1 83 LEU HB2 1 84 THR H 2.700 . 3.600 2.771 2.631 3.612 0.012 7 0 "[ . 1 . 2]" 1
741 1 83 LEU HB3 1 84 THR H 2.800 . 3.800 3.528 2.579 3.739 . 0 0 "[ . 1 . 2]" 1
742 1 84 THR H 1 84 THR HA 2.400 . 3.100 2.762 2.739 2.779 . 0 0 "[ . 1 . 2]" 1
743 1 84 THR H 1 84 THR HB 2.700 . 3.500 2.582 2.473 2.651 . 0 0 "[ . 1 . 2]" 1
744 1 84 THR H 1 85 GLN H 2.700 . 3.600 2.774 2.647 2.903 . 0 0 "[ . 1 . 2]" 1
745 1 84 THR HA 1 84 THR HB 2.800 . 3.600 3.021 3.016 3.023 . 0 0 "[ . 1 . 2]" 1
746 1 84 THR HA 1 85 GLN H 2.400 . 3.100 3.396 3.369 3.420 0.320 12 0 "[ . 1 . 2]" 1
747 1 84 THR HB 1 85 GLN H 2.900 . 3.900 2.503 2.282 2.757 . 0 0 "[ . 1 . 2]" 1
748 1 85 GLN H 1 85 GLN HB2 2.200 . 2.800 2.174 1.809 2.505 . 0 0 "[ . 1 . 2]" 1
749 1 85 GLN H 1 85 GLN HG2 2.300 . 3.000 2.430 1.776 3.043 0.043 15 0 "[ . 1 . 2]" 1
750 1 85 GLN H 1 85 GLN HG3 2.300 . 3.000 2.505 1.825 3.197 0.197 14 0 "[ . 1 . 2]" 1
751 1 85 GLN HA 1 85 GLN HB2 2.000 . 2.500 2.571 2.467 2.662 0.162 2 0 "[ . 1 . 2]" 1
752 1 85 GLN HA 1 85 GLN HB3 2.200 . 2.800 2.386 2.284 2.461 . 0 0 "[ . 1 . 2]" 1
753 1 85 GLN HA 1 85 GLN HG2 2.500 . 3.300 2.793 2.619 2.965 . 0 0 "[ . 1 . 2]" 1
754 1 85 GLN HA 1 88 HIS H 2.800 . 3.400 3.507 3.432 3.572 0.172 5 0 "[ . 1 . 2]" 1
755 1 85 GLN HA 1 88 HIS HB2 2.800 . 3.800 3.256 2.895 3.520 . 0 0 "[ . 1 . 2]" 1
756 1 85 GLN HA 1 88 HIS HB3 2.600 . 3.400 2.495 2.251 2.748 . 0 0 "[ . 1 . 2]" 1
757 1 85 GLN QB 1 86 HIS H 2.400 . 3.100 2.485 2.311 2.697 . 0 0 "[ . 1 . 2]" 1
758 1 85 GLN QE 1 85 GLN HG3 2.500 . 3.300 2.792 2.189 3.317 0.017 17 0 "[ . 1 . 2]" 1
759 1 86 HIS H 1 86 HIS HA 2.300 . 3.000 2.810 2.791 2.851 . 0 0 "[ . 1 . 2]" 1
760 1 86 HIS H 1 86 HIS HB2 2.500 . 3.100 2.614 2.545 2.724 . 0 0 "[ . 1 . 2]" 1
761 1 86 HIS H 1 86 HIS HB3 2.500 . 3.300 2.512 2.448 2.558 . 0 0 "[ . 1 . 2]" 1
762 1 86 HIS H 1 87 LEU H 2.700 . 3.300 2.783 2.595 2.879 . 0 0 "[ . 1 . 2]" 1
763 1 86 HIS HA 1 86 HIS HB2 2.800 . 3.800 2.436 2.403 2.457 . 0 0 "[ . 1 . 2]" 1
764 1 86 HIS HA 1 86 HIS HB3 2.400 . 3.100 3.026 3.022 3.029 . 0 0 "[ . 1 . 2]" 1
765 1 86 HIS HA 1 87 LEU H 2.800 . 3.700 3.555 3.536 3.573 . 0 0 "[ . 1 . 2]" 1
766 1 86 HIS HA 1 89 THR H 3.100 . 4.300 3.570 3.312 3.803 . 0 0 "[ . 1 . 2]" 1
767 1 86 HIS HA 1 90 ARG QG 2.900 . 3.900 3.309 3.070 3.654 . 0 0 "[ . 1 . 2]" 1
768 1 86 HIS HB2 1 86 HIS HD2 3.000 . 4.000 3.679 3.556 3.780 . 0 0 "[ . 1 . 2]" 1
769 1 86 HIS HB2 1 87 LEU H 2.800 . 3.600 3.771 3.681 3.924 0.324 16 0 "[ . 1 . 2]" 1
770 1 86 HIS HB3 1 86 HIS HD2 3.300 . 4.300 2.696 2.683 2.715 . 0 0 "[ . 1 . 2]" 1
771 1 86 HIS HB3 1 87 LEU H 3.000 . 3.900 2.365 2.227 2.610 . 0 0 "[ . 1 . 2]" 1
772 1 86 HIS HD2 1 90 ARG QG 3.500 . 5.000 3.843 3.284 4.486 . 0 0 "[ . 1 . 2]" 1
773 1 86 HIS HE1 1 90 ARG HD2 3.000 . 4.100 3.522 2.558 4.308 0.208 11 0 "[ . 1 . 2]" 1
774 1 86 HIS HE1 1 90 ARG HD3 3.000 . 4.100 3.843 2.796 4.390 0.290 15 0 "[ . 1 . 2]" 1
775 1 87 LEU H 1 87 LEU HA 2.600 . 3.400 2.831 2.806 2.859 . 0 0 "[ . 1 . 2]" 1
776 1 87 LEU H 1 87 LEU HB2 2.600 . 2.900 2.292 2.237 2.385 . 0 0 "[ . 1 . 2]" 1
777 1 87 LEU H 1 87 LEU HB3 2.700 . 3.600 3.216 3.128 3.297 . 0 0 "[ . 1 . 2]" 1
778 1 87 LEU H 1 87 LEU HB3 2.600 . 3.400 3.358 3.290 3.431 0.031 19 0 "[ . 1 . 2]" 1
779 1 87 LEU HA 1 87 LEU HB2 2.500 . 3.300 2.988 2.976 3.003 . 0 0 "[ . 1 . 2]" 1
780 1 87 LEU HA 1 87 LEU HB2 2.500 . 3.300 2.859 2.849 2.870 . 0 0 "[ . 1 . 2]" 1
781 1 87 LEU HA 1 87 LEU HB3 2.500 . 3.300 2.611 2.546 2.643 . 0 0 "[ . 1 . 2]" 1
782 1 87 LEU HA 1 87 LEU HB3 2.300 . 3.000 2.069 1.801 2.297 . 0 0 "[ . 1 . 2]" 1
783 1 87 LEU HA 1 87 LEU HG 2.700 . 3.600 3.649 3.622 3.674 0.074 4 0 "[ . 1 . 2]" 1
784 1 87 LEU HA 1 88 HIS H 2.900 . 4.000 3.492 3.434 3.535 . 0 0 "[ . 1 . 2]" 1
785 1 87 LEU HA 1 90 ARG H 2.800 . 3.800 3.075 2.765 3.471 . 0 0 "[ . 1 . 2]" 1
786 1 87 LEU HA 1 90 ARG HB2 2.800 . 3.800 2.583 1.965 3.358 . 0 0 "[ . 1 . 2]" 1
787 1 87 LEU HA 1 90 ARG QB 2.500 . 3.300 2.547 1.957 3.250 . 0 0 "[ . 1 . 2]" 1
788 1 87 LEU HA 1 90 ARG QG 2.800 . 3.800 2.181 1.837 2.570 . 0 0 "[ . 1 . 2]" 1
789 1 87 LEU HB2 1 88 HIS H 2.600 . 3.500 3.057 2.921 3.223 . 0 0 "[ . 1 . 2]" 1
790 1 87 LEU HB3 1 87 LEU HG 2.700 . 3.600 2.378 2.334 2.420 . 0 0 "[ . 1 . 2]" 1
791 1 87 LEU HB3 1 88 HIS H 2.700 . 3.600 3.533 3.371 3.688 0.088 16 0 "[ . 1 . 2]" 1
792 1 88 HIS H 1 88 HIS HA 2.600 . 3.400 2.829 2.808 2.858 . 0 0 "[ . 1 . 2]" 1
793 1 88 HIS H 1 88 HIS HB2 2.400 . 3.100 2.558 2.455 2.605 . 0 0 "[ . 1 . 2]" 1
794 1 88 HIS H 1 88 HIS HB3 2.400 . 3.100 2.503 2.449 2.583 . 0 0 "[ . 1 . 2]" 1
795 1 88 HIS H 1 88 HIS HD2 3.500 . 5.000 5.032 4.944 5.063 0.063 2 0 "[ . 1 . 2]" 1
796 1 88 HIS HA 1 88 HIS HB2 2.600 . 3.300 2.456 2.427 2.505 . 0 0 "[ . 1 . 2]" 1
797 1 88 HIS HA 1 88 HIS HB3 2.700 . 3.600 3.024 3.019 3.027 . 0 0 "[ . 1 . 2]" 1
798 1 88 HIS HA 1 88 HIS HD2 2.600 . 3.300 2.742 2.500 2.984 . 0 0 "[ . 1 . 2]" 1
799 1 88 HIS HB2 1 88 HIS HD2 3.300 . 4.100 3.070 2.934 3.217 . 0 0 "[ . 1 . 2]" 1
800 1 88 HIS HB2 1 89 THR H 2.900 . 3.900 3.891 3.704 3.996 0.096 6 0 "[ . 1 . 2]" 1
801 1 88 HIS HB3 1 88 HIS HD2 3.400 . 4.500 3.957 3.943 3.968 . 0 0 "[ . 1 . 2]" 1
802 1 88 HIS HB3 1 89 THR H 2.700 . 3.600 2.634 2.285 2.846 . 0 0 "[ . 1 . 2]" 1
803 1 89 THR H 1 89 THR HA 2.500 . 3.300 2.826 2.780 2.856 . 0 0 "[ . 1 . 2]" 1
804 1 89 THR H 1 89 THR HB 2.300 . 2.800 2.609 2.523 2.732 . 0 0 "[ . 1 . 2]" 1
805 1 89 THR H 1 90 ARG H 2.800 . 3.800 2.588 2.510 2.759 . 0 0 "[ . 1 . 2]" 1
806 1 89 THR HA 1 89 THR HB 2.400 . 3.100 3.024 3.006 3.030 . 0 0 "[ . 1 . 2]" 1
807 1 89 THR HA 1 90 ARG H 2.900 . 4.000 3.514 3.443 3.553 . 0 0 "[ . 1 . 2]" 1
808 1 89 THR HA 1 92 THR H 3.200 . 4.500 3.396 3.012 4.238 . 0 0 "[ . 1 . 2]" 1
809 1 89 THR HA 1 93 GLN QG 3.100 . 4.300 4.097 3.382 4.505 0.205 19 0 "[ . 1 . 2]" 1
810 1 90 ARG H 1 90 ARG HB2 2.600 . 3.100 2.500 2.389 2.602 . 0 0 "[ . 1 . 2]" 1
811 1 90 ARG H 1 90 ARG HD2 3.100 . 4.300 4.006 2.970 4.678 0.378 19 0 "[ . 1 . 2]" 1
812 1 90 ARG H 1 90 ARG HD3 3.200 . 4.500 4.257 3.739 4.581 0.081 7 0 "[ . 1 . 2]" 1
813 1 90 ARG H 1 90 ARG QG 2.300 . 3.000 2.133 1.902 2.333 . 0 0 "[ . 1 . 2]" 1
814 1 90 ARG H 1 91 LEU H 2.400 . 3.100 2.714 2.541 3.068 . 0 0 "[ . 1 . 2]" 1
815 1 90 ARG HA 1 90 ARG QB 2.600 . 2.800 2.367 2.339 2.404 . 0 0 "[ . 1 . 2]" 1
816 1 90 ARG HA 1 90 ARG HD2 2.500 . 3.300 2.940 1.956 3.745 0.445 20 0 "[ . 1 . 2]" 1
817 1 90 ARG HA 1 90 ARG HD3 2.600 . 3.500 3.087 1.914 3.666 0.166 7 0 "[ . 1 . 2]" 1
818 1 90 ARG HA 1 90 ARG QG 2.400 . 3.100 2.915 2.780 3.061 . 0 0 "[ . 1 . 2]" 1
819 1 90 ARG HA 1 91 LEU H 2.800 . 3.800 3.507 3.389 3.580 . 0 0 "[ . 1 . 2]" 1
820 1 90 ARG HA 1 92 THR H 3.300 . 4.600 4.553 4.056 4.794 0.194 12 0 "[ . 1 . 2]" 1
821 1 90 ARG HA 1 93 GLN QG 2.700 . 3.600 3.479 2.513 3.907 0.307 5 0 "[ . 1 . 2]" 1
822 1 90 ARG QB 1 90 ARG HD3 3.100 . 3.500 2.894 2.337 3.497 . 0 0 "[ . 1 . 2]" 1
823 1 90 ARG QB 1 90 ARG QG 2.100 . 2.700 1.997 1.968 2.013 . 0 0 "[ . 1 . 2]" 1
824 1 90 ARG HB2 1 91 LEU H 2.900 . 3.900 2.631 2.091 3.171 . 0 0 "[ . 1 . 2]" 1
825 1 90 ARG HB2 1 91 LEU H 2.600 . 3.400 2.124 1.810 2.386 . 0 0 "[ . 1 . 2]" 1
826 1 90 ARG HD2 1 90 ARG QG 2.200 . 2.800 2.248 2.136 2.423 . 0 0 "[ . 1 . 2]" 1
827 1 90 ARG HD3 1 90 ARG QG 2.200 . 2.800 2.292 2.152 2.493 . 0 0 "[ . 1 . 2]" 1
828 1 90 ARG QG 1 91 LEU H 3.000 . 4.200 4.021 3.751 4.310 0.110 19 0 "[ . 1 . 2]" 1
829 1 91 LEU H 1 91 LEU HA 2.700 . 3.100 2.867 2.787 2.926 . 0 0 "[ . 1 . 2]" 1
830 1 91 LEU H 1 91 LEU QB 2.500 . 3.000 2.264 1.983 2.573 . 0 0 "[ . 1 . 2]" 1
831 1 91 LEU H 1 92 THR H 2.500 . 3.300 2.416 2.155 2.713 . 0 0 "[ . 1 . 2]" 1
832 1 91 LEU HA 1 91 LEU QB 2.100 . 2.700 2.292 2.171 2.429 . 0 0 "[ . 1 . 2]" 1
833 1 91 LEU HA 1 92 THR H 2.500 . 3.300 3.124 2.299 3.196 . 0 0 "[ . 1 . 2]" 1
834 1 91 LEU QB 1 92 THR H 2.700 . 3.600 2.785 2.460 3.394 . 0 0 "[ . 1 . 2]" 1
835 1 92 THR H 1 92 THR HA 2.600 . 3.300 2.886 2.840 2.945 . 0 0 "[ . 1 . 2]" 1
836 1 92 THR H 1 92 THR HB 2.700 . 3.600 3.564 2.331 3.694 0.094 19 0 "[ . 1 . 2]" 1
837 1 92 THR HA 1 93 GLN H 2.800 . 3.800 3.442 3.254 3.535 . 0 0 "[ . 1 . 2]" 1
838 1 92 THR HA 1 93 GLN H 2.400 . 3.100 2.711 2.614 2.774 . 0 0 "[ . 1 . 2]" 1
839 1 92 THR HB 1 93 GLN H 2.900 . 3.900 3.762 2.616 4.107 0.207 11 0 "[ . 1 . 2]" 1
840 1 93 GLN H 1 93 GLN HB2 2.500 . 3.300 2.548 2.058 3.390 0.090 8 0 "[ . 1 . 2]" 1
841 1 93 GLN H 1 93 GLN QB 2.500 . 3.300 2.108 2.010 2.228 . 0 0 "[ . 1 . 2]" 1
842 1 93 GLN H 1 93 GLN HB3 2.500 . 3.300 2.976 2.029 3.498 0.198 2 0 "[ . 1 . 2]" 1
843 1 93 GLN H 1 93 GLN QG 2.600 . 3.400 2.961 2.428 3.470 0.070 5 0 "[ . 1 . 2]" 1
844 1 93 GLN HA 1 93 GLN HB2 2.300 . 3.000 2.712 2.219 2.996 . 0 0 "[ . 1 . 2]" 1
845 1 93 GLN HA 1 93 GLN QB 2.000 . 2.500 2.362 2.146 2.520 0.020 11 0 "[ . 1 . 2]" 1
846 1 93 GLN HA 1 93 GLN HB3 2.300 . 2.900 2.725 2.579 2.901 0.001 1 0 "[ . 1 . 2]" 1
847 1 93 GLN HA 1 93 GLN QG 2.200 . 2.800 2.697 2.196 3.042 0.242 8 0 "[ . 1 . 2]" 1
848 1 93 GLN QB 1 93 GLN QG 1.600 . 1.900 2.035 1.982 2.087 0.187 11 0 "[ . 1 . 2]" 1
849 1 93 GLN HE22 1 93 GLN QG 2.400 . 3.100 3.321 3.214 3.488 0.388 15 0 "[ . 1 . 2]" 1
850 1 94 SER HA 1 94 SER QB 1.800 . 2.200 2.318 2.173 2.385 0.185 6 0 "[ . 1 . 2]" 1
851 1 94 SER HA 1 95 HIS H 2.200 . 2.800 2.396 2.131 2.853 0.053 6 0 "[ . 1 . 2]" 1
852 1 94 SER HA 1 95 HIS H 2.200 . 2.800 2.261 1.945 2.574 . 0 0 "[ . 1 . 2]" 1
853 1 95 HIS H 1 95 HIS HA 2.500 . 3.300 2.861 2.245 2.941 . 0 0 "[ . 1 . 2]" 1
854 1 95 HIS H 1 95 HIS HB2 2.800 . 3.800 3.122 2.464 3.877 0.077 1 0 "[ . 1 . 2]" 1
855 1 95 HIS H 1 95 HIS HB3 2.800 . 3.700 3.178 2.502 3.996 0.296 19 0 "[ . 1 . 2]" 1
856 1 95 HIS HA 1 95 HIS HB2 2.300 . 2.700 2.665 2.433 3.005 0.305 16 0 "[ . 1 . 2]" 1
857 1 95 HIS HA 1 95 HIS HD2 3.000 . 4.100 3.675 2.445 4.261 0.161 11 0 "[ . 1 . 2]" 1
858 1 95 HIS HB3 1 95 HIS HD2 2.900 . 3.900 3.288 2.805 3.946 0.046 8 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Thursday, May 2, 2024 9:01:54 PM GMT (wattos1)