NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448711 |
2o3d   |
7301 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2o3d
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 792
_Distance_constraint_stats_list.Viol_count 1575
_Distance_constraint_stats_list.Viol_total 647.809
_Distance_constraint_stats_list.Viol_max 0.596
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0206
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.106 0.038 11 0 "[ . 1 . 2]"
1 12 ARG 0.329 0.144 19 0 "[ . 1 . 2]"
1 13 ARG 0.417 0.144 19 0 "[ . 1 . 2]"
1 14 SER 0.113 0.044 7 0 "[ . 1 . 2]"
1 15 GLU 0.065 0.029 18 0 "[ . 1 . 2]"
1 16 ASN 0.201 0.037 5 0 "[ . 1 . 2]"
1 17 ARG 0.092 0.046 12 0 "[ . 1 . 2]"
1 18 VAL 2.455 0.108 16 0 "[ . 1 . 2]"
1 19 VAL 1.101 0.108 16 0 "[ . 1 . 2]"
1 20 VAL 0.802 0.149 19 0 "[ . 1 . 2]"
1 21 SER 0.322 0.042 8 0 "[ . 1 . 2]"
1 22 GLY 0.030 0.013 19 0 "[ . 1 . 2]"
1 23 LEU 0.573 0.149 19 0 "[ . 1 . 2]"
1 24 PRO 0.028 0.006 10 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 SER 0.050 0.043 11 0 "[ . 1 . 2]"
1 27 GLY 0.050 0.043 11 0 "[ . 1 . 2]"
1 28 SER 0.008 0.005 15 0 "[ . 1 . 2]"
1 29 TRP 0.103 0.015 15 0 "[ . 1 . 2]"
1 30 GLN 0.064 0.015 15 0 "[ . 1 . 2]"
1 31 ASP 0.003 0.003 15 0 "[ . 1 . 2]"
1 32 LEU 0.212 0.019 12 0 "[ . 1 . 2]"
1 33 LYS 1.170 0.255 2 0 "[ . 1 . 2]"
1 34 ASP 1.193 0.062 13 0 "[ . 1 . 2]"
1 35 HIS 1.476 0.062 13 0 "[ . 1 . 2]"
1 36 MET 0.749 0.034 4 0 "[ . 1 . 2]"
1 37 ARG 1.123 0.074 14 0 "[ . 1 . 2]"
1 38 GLU 0.618 0.060 14 0 "[ . 1 . 2]"
1 39 ALA 1.407 0.080 12 0 "[ . 1 . 2]"
1 40 GLY 1.266 0.080 12 0 "[ . 1 . 2]"
1 41 ASP 0.931 0.073 12 0 "[ . 1 . 2]"
1 42 VAL 1.128 0.073 12 0 "[ . 1 . 2]"
1 43 CYS 0.228 0.026 7 0 "[ . 1 . 2]"
1 44 TYR 0.108 0.013 18 0 "[ . 1 . 2]"
1 45 ALA 0.449 0.025 15 0 "[ . 1 . 2]"
1 46 ASP 0.069 0.010 6 0 "[ . 1 . 2]"
1 47 VAL 0.321 0.041 8 0 "[ . 1 . 2]"
1 48 TYR 0.107 0.041 8 0 "[ . 1 . 2]"
1 49 ARG 0.053 0.043 13 0 "[ . 1 . 2]"
1 50 ASP 0.188 0.022 12 0 "[ . 1 . 2]"
1 51 GLY 0.272 0.022 12 0 "[ . 1 . 2]"
1 52 THR 0.100 0.019 2 0 "[ . 1 . 2]"
1 53 GLY 0.481 0.122 19 0 "[ . 1 . 2]"
1 54 VAL 0.734 0.108 14 0 "[ . 1 . 2]"
1 55 VAL 0.389 0.108 14 0 "[ . 1 . 2]"
1 56 GLU 0.062 0.011 18 0 "[ . 1 . 2]"
1 57 PHE 0.027 0.010 11 0 "[ . 1 . 2]"
1 58 VAL 0.681 0.181 19 0 "[ . 1 . 2]"
1 59 ARG 0.522 0.181 19 0 "[ . 1 . 2]"
1 60 LYS 0.456 0.066 19 0 "[ . 1 . 2]"
1 61 GLU 0.119 0.017 17 0 "[ . 1 . 2]"
1 62 ASP 0.194 0.029 12 0 "[ . 1 . 2]"
1 63 MET 1.661 0.241 11 0 "[ . 1 . 2]"
1 64 THR 1.910 0.241 11 0 "[ . 1 . 2]"
1 65 TYR 1.567 0.088 9 0 "[ . 1 . 2]"
1 66 ALA 2.559 0.105 13 0 "[ . 1 . 2]"
1 67 VAL 4.284 0.125 16 0 "[ . 1 . 2]"
1 68 ARG 4.598 0.173 16 0 "[ . 1 . 2]"
1 69 LYS 1.733 0.173 16 0 "[ . 1 . 2]"
1 70 LEU 1.685 0.596 16 1 "[ . 1 .+ 2]"
1 71 ASP 0.706 0.268 8 0 "[ . 1 . 2]"
1 72 ASN 0.425 0.268 8 0 "[ . 1 . 2]"
1 73 THR 0.466 0.077 8 0 "[ . 1 . 2]"
1 74 LYS 0.379 0.050 5 0 "[ . 1 . 2]"
1 75 PHE 0.292 0.017 7 0 "[ . 1 . 2]"
1 76 ARG 0.214 0.027 7 0 "[ . 1 . 2]"
1 77 SER 0.642 0.083 16 0 "[ . 1 . 2]"
1 78 HIS 0.008 0.008 15 0 "[ . 1 . 2]"
1 79 GLU 0.495 0.083 16 0 "[ . 1 . 2]"
1 80 GLY 0.098 0.021 6 0 "[ . 1 . 2]"
1 81 GLU 0.062 0.009 20 0 "[ . 1 . 2]"
1 82 THR 0.923 0.057 10 0 "[ . 1 . 2]"
1 83 ALA 0.591 0.034 15 0 "[ . 1 . 2]"
1 84 TYR 0.071 0.017 10 0 "[ . 1 . 2]"
1 85 ILE 0.385 0.021 19 0 "[ . 1 . 2]"
1 86 ARG 0.187 0.015 13 0 "[ . 1 . 2]"
1 87 VAL 0.542 0.027 2 0 "[ . 1 . 2]"
1 88 LYS 0.465 0.046 7 0 "[ . 1 . 2]"
1 89 VAL 1.285 0.133 13 0 "[ . 1 . 2]"
1 90 ASP 1.266 0.133 13 0 "[ . 1 . 2]"
1 91 GLY 0.002 0.002 6 0 "[ . 1 . 2]"
1 93 ARG 0.581 0.215 9 0 "[ . 1 . 2]"
1 94 SER 0.364 0.215 9 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 PRO HA 1 4 ARG H 4.000 . 4.000 3.001 2.146 3.577 . 0 0 "[ . 1 . 2]" 1
2 1 4 ARG HA 1 5 GLY H 4.700 . 4.700 2.699 2.151 3.573 . 0 0 "[ . 1 . 2]" 1
3 1 11 SER H 1 11 SER HA 2.900 . 2.900 2.749 2.274 2.938 0.038 11 0 "[ . 1 . 2]" 1
4 1 11 SER H 1 11 SER QB 3.600 . 3.600 2.901 2.111 3.508 . 0 0 "[ . 1 . 2]" 1
5 1 11 SER HA 1 12 ARG H 2.800 . 2.800 2.520 2.141 2.804 0.004 1 0 "[ . 1 . 2]" 1
6 1 11 SER QB 1 12 ARG H 4.300 . 4.300 3.213 1.943 4.072 . 0 0 "[ . 1 . 2]" 1
7 1 12 ARG H 1 12 ARG QG 4.300 . 4.300 3.722 2.528 4.284 . 0 0 "[ . 1 . 2]" 1
8 1 12 ARG H 1 13 ARG QB 4.200 . 4.200 3.904 3.308 4.344 0.144 19 0 "[ . 1 . 2]" 1
9 1 13 ARG QB 1 14 SER H 3.600 . 3.600 2.806 1.772 3.644 0.044 7 0 "[ . 1 . 2]" 1
10 1 14 SER QB 1 15 GLU H 4.000 . 4.000 3.029 1.800 3.960 0.000 6 0 "[ . 1 . 2]" 1
11 1 14 SER QB 1 16 ASN H 4.300 . 4.300 3.662 2.429 4.311 0.011 17 0 "[ . 1 . 2]" 1
12 1 15 GLU H 1 15 GLU QG 3.400 . 3.400 2.635 1.973 3.411 0.011 18 0 "[ . 1 . 2]" 1
13 1 15 GLU H 1 16 ASN H 3.100 . 3.100 2.675 2.472 3.114 0.014 6 0 "[ . 1 . 2]" 1
14 1 15 GLU HA 1 15 GLU QB 2.500 . 2.500 2.291 2.162 2.529 0.029 18 0 "[ . 1 . 2]" 1
15 1 15 GLU HA 1 16 ASN H 3.700 . 3.700 3.039 2.560 3.568 . 0 0 "[ . 1 . 2]" 1
16 1 15 GLU QB 1 16 ASN H 4.600 . 4.600 3.638 2.568 4.048 . 0 0 "[ . 1 . 2]" 1
17 1 16 ASN H 1 17 ARG H 4.500 . 4.500 3.358 2.074 4.425 . 0 0 "[ . 1 . 2]" 1
18 1 16 ASN QB 1 57 PHE H 5.100 . 5.100 4.395 2.999 5.110 0.010 11 0 "[ . 1 . 2]" 1
19 1 16 ASN QB 1 60 LYS HA 4.200 . 4.200 3.456 2.367 4.237 0.037 5 0 "[ . 1 . 2]" 1
20 1 16 ASN QB 1 63 MET ME 4.600 . 4.600 4.075 3.074 4.635 0.035 17 0 "[ . 1 . 2]" 1
21 1 17 ARG H 1 17 ARG QB 3.700 . 3.700 2.621 2.250 3.050 . 0 0 "[ . 1 . 2]" 1
22 1 17 ARG H 1 17 ARG QG 4.600 . 4.600 3.437 2.051 4.233 . 0 0 "[ . 1 . 2]" 1
23 1 17 ARG HA 1 18 VAL H 2.900 . 2.900 2.290 2.133 2.466 . 0 0 "[ . 1 . 2]" 1
24 1 17 ARG HA 1 56 GLU HA 3.500 . 3.500 2.697 1.984 3.125 . 0 0 "[ . 1 . 2]" 1
25 1 17 ARG HA 1 56 GLU QG 4.000 . 4.000 2.573 2.016 3.756 . 0 0 "[ . 1 . 2]" 1
26 1 17 ARG HA 1 57 PHE H 4.600 . 4.600 3.938 2.742 4.562 . 0 0 "[ . 1 . 2]" 1
27 1 17 ARG QB 1 18 VAL H 4.500 . 4.500 3.154 2.282 3.821 . 0 0 "[ . 1 . 2]" 1
28 1 17 ARG QD 1 54 VAL HB 4.300 . 4.300 2.961 2.048 4.187 . 0 0 "[ . 1 . 2]" 1
29 1 17 ARG QD 1 54 VAL QG 3.400 . 3.400 2.870 1.842 3.406 0.006 6 0 "[ . 1 . 2]" 1
30 1 17 ARG QG 1 18 VAL H 4.200 . 4.200 3.052 1.926 4.195 . 0 0 "[ . 1 . 2]" 1
31 1 17 ARG QG 1 54 VAL QG 4.300 . 4.300 3.664 1.898 4.346 0.046 12 0 "[ . 1 . 2]" 1
32 1 18 VAL H 1 18 VAL HB 4.300 . 4.300 3.446 2.865 3.879 . 0 0 "[ . 1 . 2]" 1
33 1 18 VAL H 1 18 VAL QG 3.300 . 3.300 2.127 1.914 2.549 . 0 0 "[ . 1 . 2]" 1
34 1 18 VAL H 1 55 VAL H 4.000 . 4.000 2.986 2.203 3.547 . 0 0 "[ . 1 . 2]" 1
35 1 18 VAL H 1 55 VAL QG 4.700 . 4.700 4.319 3.592 4.632 . 0 0 "[ . 1 . 2]" 1
36 1 18 VAL H 1 55 VAL O 2.000 . 2.300 2.045 1.691 2.302 0.009 13 0 "[ . 1 . 2]" 1
37 1 18 VAL H 1 56 GLU HA 4.700 . 4.700 3.550 2.956 3.942 . 0 0 "[ . 1 . 2]" 1
38 1 18 VAL H 1 56 GLU QG 4.600 . 4.600 3.952 3.472 4.591 . 0 0 "[ . 1 . 2]" 1
39 1 18 VAL HA 1 18 VAL HB 2.900 . 2.900 2.510 2.350 2.982 0.082 20 0 "[ . 1 . 2]" 1
40 1 18 VAL HA 1 18 VAL QG 2.700 . 2.700 2.256 2.018 2.415 . 0 0 "[ . 1 . 2]" 1
41 1 18 VAL HA 1 19 VAL H 2.500 . 2.500 2.374 2.272 2.435 . 0 0 "[ . 1 . 2]" 1
42 1 18 VAL HA 1 89 VAL HA 2.700 . 2.700 2.702 2.558 2.734 0.034 11 0 "[ . 1 . 2]" 1
43 1 18 VAL HA 1 89 VAL QG 3.900 . 3.900 3.705 3.419 3.910 0.010 14 0 "[ . 1 . 2]" 1
44 1 18 VAL HA 1 90 ASP H 3.000 . 3.000 1.994 1.861 2.641 . 0 0 "[ . 1 . 2]" 1
45 1 18 VAL HA 1 90 ASP QB 4.400 . 4.400 2.770 2.413 3.128 . 0 0 "[ . 1 . 2]" 1
46 1 18 VAL HB 1 19 VAL H 3.600 . 3.600 2.991 2.317 3.708 0.108 16 0 "[ . 1 . 2]" 1
47 1 18 VAL HB 1 87 VAL QG 4.500 . 4.500 3.021 2.160 3.864 . 0 0 "[ . 1 . 2]" 1
48 1 18 VAL HB 1 88 LYS H 5.200 . 5.200 3.866 2.507 5.210 0.010 7 0 "[ . 1 . 2]" 1
49 1 18 VAL HB 1 89 VAL HA 5.200 . 5.200 3.632 2.823 5.196 . 0 0 "[ . 1 . 2]" 1
50 1 18 VAL HB 1 90 ASP H 4.800 . 4.800 4.168 3.740 4.838 0.038 20 0 "[ . 1 . 2]" 1
51 1 18 VAL QG 1 19 VAL H 3.100 . 3.100 2.507 1.804 3.131 0.031 3 0 "[ . 1 . 2]" 1
52 1 18 VAL QG 1 19 VAL HA 4.000 . 4.000 3.666 3.263 4.015 0.015 15 0 "[ . 1 . 2]" 1
53 1 18 VAL QG 1 36 MET ME 3.500 . 3.500 2.994 2.207 3.513 0.013 1 0 "[ . 1 . 2]" 1
54 1 18 VAL QG 1 55 VAL HB 3.000 . 3.000 2.299 1.902 3.003 0.003 10 0 "[ . 1 . 2]" 1
55 1 18 VAL QG 1 63 MET HA 4.100 . 4.100 3.399 2.718 4.028 . 0 0 "[ . 1 . 2]" 1
56 1 18 VAL QG 1 63 MET QG 3.800 . 3.800 2.335 1.793 3.230 0.007 8 0 "[ . 1 . 2]" 1
57 1 18 VAL QG 1 70 LEU QD 5.000 . 5.000 4.927 3.911 5.045 0.045 12 0 "[ . 1 . 2]" 1
58 1 18 VAL QG 1 87 VAL QG 4.000 . 4.000 1.949 1.779 2.382 0.021 6 0 "[ . 1 . 2]" 1
59 1 18 VAL QG 1 88 LYS H 3.300 . 3.300 2.883 2.390 3.334 0.034 14 0 "[ . 1 . 2]" 1
60 1 18 VAL QG 1 89 VAL H 4.500 . 4.500 3.820 3.437 4.260 . 0 0 "[ . 1 . 2]" 1
61 1 18 VAL QG 1 89 VAL HA 3.800 . 3.800 2.409 1.819 3.008 . 0 0 "[ . 1 . 2]" 1
62 1 18 VAL QG 1 90 ASP H 3.700 . 3.700 3.051 2.545 3.520 . 0 0 "[ . 1 . 2]" 1
63 1 18 VAL QG 1 90 ASP QB 3.800 . 3.800 3.809 3.692 3.878 0.078 9 0 "[ . 1 . 2]" 1
64 1 18 VAL N 1 55 VAL O 2.900 2.600 3.200 2.958 2.656 3.202 0.002 18 0 "[ . 1 . 2]" 1
65 1 18 VAL O 1 55 VAL H 2.000 . 2.300 2.154 1.831 2.309 0.009 12 0 "[ . 1 . 2]" 1
66 1 18 VAL O 1 55 VAL N 2.900 2.600 3.200 3.072 2.785 3.217 0.017 17 0 "[ . 1 . 2]" 1
67 1 19 VAL H 1 19 VAL HB 3.700 . 3.700 2.951 2.625 3.170 . 0 0 "[ . 1 . 2]" 1
68 1 19 VAL H 1 19 VAL QG 2.500 . 2.500 2.262 1.946 2.526 0.026 11 0 "[ . 1 . 2]" 1
69 1 19 VAL H 1 20 VAL H 4.700 . 4.700 4.468 4.397 4.519 . 0 0 "[ . 1 . 2]" 1
70 1 19 VAL H 1 87 VAL QG 3.700 . 3.700 3.604 3.422 3.709 0.009 18 0 "[ . 1 . 2]" 1
71 1 19 VAL H 1 88 LYS H 3.500 . 3.500 2.898 2.547 3.256 . 0 0 "[ . 1 . 2]" 1
72 1 19 VAL H 1 88 LYS O 2.000 . 2.300 1.897 1.679 2.177 0.021 19 0 "[ . 1 . 2]" 1
73 1 19 VAL H 1 89 VAL HA 4.200 . 4.200 3.799 3.492 4.206 0.006 14 0 "[ . 1 . 2]" 1
74 1 19 VAL H 1 90 ASP H 4.500 . 4.500 3.422 2.788 4.490 . 0 0 "[ . 1 . 2]" 1
75 1 19 VAL H 1 90 ASP QB 5.000 . 5.000 3.375 2.640 4.352 . 0 0 "[ . 1 . 2]" 1
76 1 19 VAL HA 1 20 VAL H 2.500 . 2.500 2.238 2.186 2.318 . 0 0 "[ . 1 . 2]" 1
77 1 19 VAL HA 1 20 VAL QG 3.700 . 3.700 3.333 3.173 3.719 0.019 19 0 "[ . 1 . 2]" 1
78 1 19 VAL HA 1 53 GLY H 5.000 . 5.000 4.603 4.240 4.959 . 0 0 "[ . 1 . 2]" 1
79 1 19 VAL HA 1 54 VAL HA 3.100 . 3.100 2.333 2.028 2.615 . 0 0 "[ . 1 . 2]" 1
80 1 19 VAL HA 1 54 VAL QG 3.100 . 3.100 2.527 1.974 3.124 0.024 14 0 "[ . 1 . 2]" 1
81 1 19 VAL HA 1 55 VAL H 4.200 . 4.200 3.749 3.430 4.180 . 0 0 "[ . 1 . 2]" 1
82 1 19 VAL HB 1 20 VAL H 4.100 . 4.100 3.935 3.537 4.111 0.011 13 0 "[ . 1 . 2]" 1
83 1 19 VAL QG 1 20 VAL H 2.500 . 2.500 2.134 1.928 2.357 . 0 0 "[ . 1 . 2]" 1
84 1 19 VAL QG 1 21 SER H 4.500 . 4.500 4.350 4.059 4.509 0.009 19 0 "[ . 1 . 2]" 1
85 1 19 VAL QG 1 52 THR HB 3.500 . 3.500 3.040 2.337 3.506 0.006 2 0 "[ . 1 . 2]" 1
86 1 19 VAL QG 1 53 GLY H 3.900 . 3.900 3.188 2.754 3.510 . 0 0 "[ . 1 . 2]" 1
87 1 19 VAL N 1 88 LYS O 2.900 2.600 3.200 2.842 2.621 3.140 . 0 0 "[ . 1 . 2]" 1
88 1 19 VAL O 1 88 LYS H 2.000 . 2.300 2.210 1.883 2.318 0.018 1 0 "[ . 1 . 2]" 1
89 1 19 VAL O 1 88 LYS N 2.900 2.600 3.200 3.020 2.778 3.199 . 0 0 "[ . 1 . 2]" 1
90 1 20 VAL H 1 20 VAL HB 3.000 . 3.000 2.780 2.677 3.006 0.006 19 0 "[ . 1 . 2]" 1
91 1 20 VAL H 1 20 VAL QG 2.800 . 2.800 2.556 2.250 2.795 . 0 0 "[ . 1 . 2]" 1
92 1 20 VAL H 1 21 SER H 4.700 . 4.700 4.443 4.199 4.543 . 0 0 "[ . 1 . 2]" 1
93 1 20 VAL H 1 53 GLY H 3.500 . 3.500 2.664 2.292 3.038 . 0 0 "[ . 1 . 2]" 1
94 1 20 VAL H 1 53 GLY O 2.000 . 2.300 1.873 1.696 2.225 0.004 2 0 "[ . 1 . 2]" 1
95 1 20 VAL H 1 54 VAL HA 3.700 . 3.700 3.100 2.657 3.597 . 0 0 "[ . 1 . 2]" 1
96 1 20 VAL HA 1 20 VAL QG 2.500 . 2.500 2.101 2.031 2.309 . 0 0 "[ . 1 . 2]" 1
97 1 20 VAL HA 1 21 SER H 2.800 . 2.800 2.261 2.127 2.358 . 0 0 "[ . 1 . 2]" 1
98 1 20 VAL HA 1 87 VAL QG 3.500 . 3.500 3.367 3.003 3.517 0.017 12 0 "[ . 1 . 2]" 1
99 1 20 VAL HA 1 88 LYS H 4.300 . 4.300 3.950 3.574 4.242 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL HB 1 21 SER H 4.100 . 4.100 3.786 3.556 4.120 0.020 8 0 "[ . 1 . 2]" 1
101 1 20 VAL HB 1 23 LEU QD 3.500 . 3.500 2.682 2.082 3.594 0.094 19 0 "[ . 1 . 2]" 1
102 1 20 VAL HB 1 53 GLY H 3.900 . 3.900 2.902 2.414 4.022 0.122 19 0 "[ . 1 . 2]" 1
103 1 20 VAL HB 1 85 ILE MD 4.900 . 4.900 4.659 4.152 4.905 0.005 16 0 "[ . 1 . 2]" 1
104 1 20 VAL QG 1 21 SER H 2.500 . 2.500 2.095 1.885 2.525 0.025 8 0 "[ . 1 . 2]" 1
105 1 20 VAL QG 1 23 LEU QD 3.200 . 3.200 2.133 1.651 2.869 0.149 19 0 "[ . 1 . 2]" 1
106 1 20 VAL QG 1 53 GLY H 4.400 . 4.400 3.463 1.771 4.210 0.029 19 0 "[ . 1 . 2]" 1
107 1 20 VAL QG 1 54 VAL HA 3.300 . 3.300 3.059 2.597 3.353 0.053 19 0 "[ . 1 . 2]" 1
108 1 20 VAL QG 1 85 ILE H 5.100 . 5.100 5.006 4.808 5.121 0.021 19 0 "[ . 1 . 2]" 1
109 1 20 VAL QG 1 85 ILE MD 2.500 . 2.500 2.270 1.906 2.475 . 0 0 "[ . 1 . 2]" 1
110 1 20 VAL N 1 53 GLY O 2.900 2.600 3.200 2.816 2.664 3.201 0.001 14 0 "[ . 1 . 2]" 1
111 1 20 VAL O 1 53 GLY H 2.000 . 2.300 1.801 1.695 1.969 0.005 17 0 "[ . 1 . 2]" 1
112 1 20 VAL O 1 53 GLY N 2.900 2.600 3.200 2.692 2.566 2.853 0.034 8 0 "[ . 1 . 2]" 1
113 1 21 SER H 1 53 GLY H 4.600 . 4.600 4.593 4.430 4.642 0.042 8 0 "[ . 1 . 2]" 1
114 1 21 SER H 1 86 ARG H 3.400 . 3.400 2.415 2.028 2.803 . 0 0 "[ . 1 . 2]" 1
115 1 21 SER H 1 86 ARG O 2.000 . 2.300 2.193 1.899 2.310 0.010 12 0 "[ . 1 . 2]" 1
116 1 21 SER HA 1 22 GLY H 2.900 . 2.900 2.248 2.141 2.603 . 0 0 "[ . 1 . 2]" 1
117 1 21 SER HA 1 23 LEU H 3.900 . 3.900 3.751 3.314 3.908 0.008 1 0 "[ . 1 . 2]" 1
118 1 21 SER HA 1 23 LEU QD 4.600 . 4.600 3.219 2.430 4.604 0.004 15 0 "[ . 1 . 2]" 1
119 1 21 SER HA 1 52 THR HA 3.100 . 3.100 2.084 1.958 2.379 . 0 0 "[ . 1 . 2]" 1
120 1 21 SER HA 1 52 THR MG 3.400 . 3.400 2.151 1.902 2.659 . 0 0 "[ . 1 . 2]" 1
121 1 21 SER HA 1 53 GLY H 4.700 . 4.700 3.594 3.215 3.840 . 0 0 "[ . 1 . 2]" 1
122 1 21 SER QB 1 22 GLY H 4.000 . 4.000 3.199 2.286 3.800 . 0 0 "[ . 1 . 2]" 1
123 1 21 SER QB 1 52 THR HA 4.900 . 4.900 3.762 3.193 4.226 . 0 0 "[ . 1 . 2]" 1
124 1 21 SER QB 1 52 THR MG 3.100 . 3.100 2.218 1.911 2.919 . 0 0 "[ . 1 . 2]" 1
125 1 21 SER N 1 86 ARG O 2.900 2.600 3.200 3.007 2.851 3.178 . 0 0 "[ . 1 . 2]" 1
126 1 21 SER O 1 86 ARG H 2.000 . 2.300 1.956 1.697 2.309 0.009 17 0 "[ . 1 . 2]" 1
127 1 21 SER O 1 86 ARG N 2.900 2.600 3.200 2.818 2.598 3.180 0.002 14 0 "[ . 1 . 2]" 1
128 1 22 GLY H 1 23 LEU H 2.700 . 2.700 2.271 1.969 2.713 0.013 19 0 "[ . 1 . 2]" 1
129 1 22 GLY H 1 23 LEU QB 4.600 . 4.600 4.133 3.595 4.600 . 0 0 "[ . 1 . 2]" 1
130 1 22 GLY H 1 23 LEU QD 4.700 . 4.700 3.260 2.291 4.712 0.012 15 0 "[ . 1 . 2]" 1
131 1 22 GLY H 1 52 THR HA 5.100 . 5.100 3.276 2.757 4.104 . 0 0 "[ . 1 . 2]" 1
132 1 22 GLY H 1 52 THR MG 4.000 . 4.000 3.232 2.807 3.713 . 0 0 "[ . 1 . 2]" 1
133 1 22 GLY QA 1 23 LEU H 4.300 . 4.300 2.732 2.627 2.934 . 0 0 "[ . 1 . 2]" 1
134 1 22 GLY QA 1 85 ILE MG 4.800 . 4.800 3.259 2.477 4.533 . 0 0 "[ . 1 . 2]" 1
135 1 23 LEU H 1 23 LEU QD 3.700 . 3.700 2.418 1.922 3.370 . 0 0 "[ . 1 . 2]" 1
136 1 23 LEU H 1 51 GLY QA 4.100 . 4.100 3.359 2.457 4.107 0.007 6 0 "[ . 1 . 2]" 1
137 1 23 LEU H 1 52 THR HA 4.800 . 4.800 3.827 3.300 4.329 . 0 0 "[ . 1 . 2]" 1
138 1 23 LEU H 1 85 ILE MG 4.500 . 4.500 3.578 2.488 4.103 . 0 0 "[ . 1 . 2]" 1
139 1 23 LEU HA 1 23 LEU QD 4.200 . 4.200 2.272 1.884 3.411 . 0 0 "[ . 1 . 2]" 1
140 1 23 LEU HA 1 23 LEU HG 3.900 . 3.900 3.218 2.239 3.733 . 0 0 "[ . 1 . 2]" 1
141 1 23 LEU HA 1 24 PRO QD 3.200 . 3.200 2.114 2.033 2.225 . 0 0 "[ . 1 . 2]" 1
142 1 23 LEU HA 1 85 ILE MG 3.200 . 3.200 2.442 1.849 3.030 . 0 0 "[ . 1 . 2]" 1
143 1 23 LEU QB 1 24 PRO QD 4.200 . 4.200 2.293 1.884 2.783 . 0 0 "[ . 1 . 2]" 1
144 1 23 LEU QB 1 51 GLY QA 4.900 . 4.900 3.462 2.118 4.902 0.002 10 0 "[ . 1 . 2]" 1
145 1 23 LEU QD 1 24 PRO QD 4.600 . 4.600 2.362 1.855 3.138 . 0 0 "[ . 1 . 2]" 1
146 1 23 LEU QD 1 32 LEU QD 2.500 . 2.500 2.032 1.786 2.462 0.014 16 0 "[ . 1 . 2]" 1
147 1 23 LEU QD 1 47 VAL HB 4.100 . 4.100 3.080 1.860 4.104 0.004 11 0 "[ . 1 . 2]" 1
148 1 23 LEU QD 1 47 VAL QG 3.400 . 3.400 2.154 1.802 2.930 . 0 0 "[ . 1 . 2]" 1
149 1 23 LEU QD 1 51 GLY H 4.600 . 4.600 4.359 3.702 4.619 0.019 13 0 "[ . 1 . 2]" 1
150 1 23 LEU QD 1 51 GLY QA 4.300 . 4.300 3.762 3.105 4.306 0.006 14 0 "[ . 1 . 2]" 1
151 1 23 LEU QD 1 52 THR HA 4.300 . 4.300 2.636 1.916 3.512 . 0 0 "[ . 1 . 2]" 1
152 1 23 LEU QD 1 53 GLY H 4.000 . 4.000 3.082 2.296 4.007 0.007 15 0 "[ . 1 . 2]" 1
153 1 23 LEU QD 1 53 GLY QA 3.300 . 3.300 2.742 2.151 3.306 0.006 11 0 "[ . 1 . 2]" 1
154 1 23 LEU QD 1 75 PHE QD 4.100 . 4.100 3.388 2.790 4.004 . 0 0 "[ . 1 . 2]" 1
155 1 23 LEU QD 1 75 PHE HZ 4.600 . 4.600 4.320 3.300 4.611 0.011 13 0 "[ . 1 . 2]" 1
156 1 23 LEU QD 1 83 ALA MB 4.500 . 4.500 4.352 4.050 4.534 0.034 15 0 "[ . 1 . 2]" 1
157 1 23 LEU QD 1 85 ILE MG 2.500 . 2.500 2.062 1.792 2.514 0.014 10 0 "[ . 1 . 2]" 1
158 1 24 PRO HA 1 25 PRO QD 3.000 . 3.000 2.201 1.947 2.279 . 0 0 "[ . 1 . 2]" 1
159 1 24 PRO HA 1 25 PRO QG 4.800 . 4.800 4.109 3.851 4.180 . 0 0 "[ . 1 . 2]" 1
160 1 24 PRO QB 1 25 PRO QD 4.700 . 4.700 2.102 1.914 3.034 . 0 0 "[ . 1 . 2]" 1
161 1 24 PRO QB 1 26 SER H 5.100 . 5.100 2.485 2.326 2.911 . 0 0 "[ . 1 . 2]" 1
162 1 24 PRO QB 1 81 GLU QB 3.400 . 3.400 3.048 2.588 3.404 0.004 9 0 "[ . 1 . 2]" 1
163 1 24 PRO QB 1 83 ALA MB 4.500 . 4.500 2.512 1.873 3.213 . 0 0 "[ . 1 . 2]" 1
164 1 24 PRO QD 1 75 PHE QD 5.200 . 5.200 2.135 1.940 2.981 . 0 0 "[ . 1 . 2]" 1
165 1 24 PRO QD 1 83 ALA MB 4.000 . 4.000 2.495 1.812 2.954 . 0 0 "[ . 1 . 2]" 1
166 1 24 PRO QD 1 85 ILE MG 4.900 . 4.900 3.109 2.589 3.622 . 0 0 "[ . 1 . 2]" 1
167 1 24 PRO QG 1 27 GLY H 4.600 . 4.600 3.894 2.656 4.587 . 0 0 "[ . 1 . 2]" 1
168 1 24 PRO QG 1 75 PHE QD 4.100 . 4.100 2.507 1.964 3.709 . 0 0 "[ . 1 . 2]" 1
169 1 24 PRO QG 1 75 PHE HZ 4.600 . 4.600 4.326 3.771 4.606 0.006 10 0 "[ . 1 . 2]" 1
170 1 24 PRO QG 1 83 ALA MB 4.200 . 4.200 3.203 2.457 3.960 . 0 0 "[ . 1 . 2]" 1
171 1 25 PRO HA 1 25 PRO QG 3.800 . 3.800 3.469 2.871 3.505 . 0 0 "[ . 1 . 2]" 1
172 1 25 PRO HA 1 26 SER H 4.000 . 4.000 3.508 3.469 3.565 . 0 0 "[ . 1 . 2]" 1
173 1 25 PRO QB 1 26 SER H 4.700 . 4.700 3.224 2.817 3.421 . 0 0 "[ . 1 . 2]" 1
174 1 25 PRO QD 1 26 SER H 4.000 . 4.000 2.697 2.584 2.866 . 0 0 "[ . 1 . 2]" 1
175 1 25 PRO QG 1 26 SER H 4.900 . 4.900 2.531 2.009 3.947 . 0 0 "[ . 1 . 2]" 1
176 1 25 PRO QG 1 26 SER QB 4.900 . 4.900 3.587 3.020 4.782 . 0 0 "[ . 1 . 2]" 1
177 1 26 SER H 1 27 GLY H 4.200 . 4.200 3.600 2.633 4.243 0.043 11 0 "[ . 1 . 2]" 1
178 1 26 SER HA 1 27 GLY QA 4.600 . 4.600 4.071 3.905 4.524 . 0 0 "[ . 1 . 2]" 1
179 1 26 SER QB 1 79 GLU QB 5.200 . 5.200 3.307 2.232 4.729 . 0 0 "[ . 1 . 2]" 1
180 1 26 SER QB 1 79 GLU QG 4.500 . 4.500 3.293 2.507 4.274 . 0 0 "[ . 1 . 2]" 1
181 1 27 GLY H 1 28 SER H 6.000 . 6.000 4.347 3.416 4.632 . 0 0 "[ . 1 . 2]" 1
182 1 27 GLY QA 1 28 SER H 4.000 . 4.000 2.221 2.109 2.282 . 0 0 "[ . 1 . 2]" 1
183 1 27 GLY QA 1 75 PHE HZ 5.200 . 5.200 3.807 2.520 4.905 . 0 0 "[ . 1 . 2]" 1
184 1 28 SER H 1 31 ASP H 4.600 . 4.600 3.817 3.201 4.603 0.003 15 0 "[ . 1 . 2]" 1
185 1 28 SER H 1 31 ASP QB 4.400 . 4.400 2.688 1.983 4.335 . 0 0 "[ . 1 . 2]" 1
186 1 28 SER H 1 32 LEU H 5.200 . 5.200 4.190 3.329 4.988 . 0 0 "[ . 1 . 2]" 1
187 1 28 SER HA 1 29 TRP H 3.500 . 3.500 2.496 2.242 2.743 . 0 0 "[ . 1 . 2]" 1
188 1 28 SER HA 1 47 VAL QG 3.000 . 3.000 2.383 1.937 3.005 0.005 15 0 "[ . 1 . 2]" 1
189 1 28 SER QB 1 29 TRP H 4.900 . 4.900 2.460 1.976 3.229 . 0 0 "[ . 1 . 2]" 1
190 1 28 SER QB 1 30 GLN H 4.300 . 4.300 2.737 2.346 3.201 . 0 0 "[ . 1 . 2]" 1
191 1 29 TRP H 1 29 TRP QB 3.400 . 3.400 2.478 2.375 2.556 . 0 0 "[ . 1 . 2]" 1
192 1 29 TRP H 1 29 TRP HD1 3.200 . 3.200 2.620 2.497 2.732 . 0 0 "[ . 1 . 2]" 1
193 1 29 TRP H 1 30 GLN H 4.200 . 4.200 2.594 2.478 2.743 . 0 0 "[ . 1 . 2]" 1
194 1 29 TRP H 1 47 VAL QG 3.500 . 3.500 2.588 2.139 3.148 . 0 0 "[ . 1 . 2]" 1
195 1 29 TRP HA 1 32 LEU H 4.100 . 4.100 3.370 3.132 3.938 . 0 0 "[ . 1 . 2]" 1
196 1 29 TRP HA 1 32 LEU QB 3.900 . 3.900 2.647 2.182 3.348 . 0 0 "[ . 1 . 2]" 1
197 1 29 TRP HA 1 33 LYS H 4.700 . 4.700 4.032 3.512 4.513 . 0 0 "[ . 1 . 2]" 1
198 1 29 TRP HA 1 45 ALA MB 3.900 . 3.900 3.235 2.527 3.702 . 0 0 "[ . 1 . 2]" 1
199 1 29 TRP HA 1 47 VAL QG 2.700 . 2.700 2.185 1.801 2.704 0.004 3 0 "[ . 1 . 2]" 1
200 1 29 TRP QB 1 45 ALA MB 4.900 . 4.900 2.453 1.960 3.220 . 0 0 "[ . 1 . 2]" 1
201 1 29 TRP QB 1 47 VAL H 4.300 . 4.300 2.768 2.003 3.727 . 0 0 "[ . 1 . 2]" 1
202 1 29 TRP QB 1 47 VAL QG 4.700 . 4.700 2.476 1.900 3.507 . 0 0 "[ . 1 . 2]" 1
203 1 29 TRP HE3 1 33 LYS QD 4.800 . 4.800 3.708 1.977 4.808 0.008 20 0 "[ . 1 . 2]" 1
204 1 29 TRP HH2 1 30 GLN HA 4.400 . 4.400 4.335 4.066 4.415 0.015 15 0 "[ . 1 . 2]" 1
205 1 29 TRP HZ3 1 33 LYS QD 4.500 . 4.500 3.093 1.959 4.224 . 0 0 "[ . 1 . 2]" 1
206 1 29 TRP O 1 33 LYS H 2.000 . 2.300 2.027 1.691 2.306 0.009 7 0 "[ . 1 . 2]" 1
207 1 29 TRP O 1 33 LYS N 2.900 2.600 3.200 2.967 2.645 3.204 0.004 9 0 "[ . 1 . 2]" 1
208 1 30 GLN H 1 30 GLN QB 3.200 . 3.200 2.267 2.072 2.704 . 0 0 "[ . 1 . 2]" 1
209 1 30 GLN H 1 30 GLN QG 4.500 . 4.500 3.441 2.028 4.035 . 0 0 "[ . 1 . 2]" 1
210 1 30 GLN H 1 31 ASP H 3.600 . 3.600 2.667 2.525 2.791 . 0 0 "[ . 1 . 2]" 1
211 1 30 GLN HA 1 31 ASP H 4.000 . 4.000 3.517 3.493 3.561 . 0 0 "[ . 1 . 2]" 1
212 1 30 GLN HA 1 33 LYS H 4.400 . 4.400 3.704 3.415 3.914 . 0 0 "[ . 1 . 2]" 1
213 1 30 GLN HA 1 33 LYS QB 4.300 . 4.300 3.016 2.487 4.314 0.014 2 0 "[ . 1 . 2]" 1
214 1 30 GLN QB 1 31 ASP H 4.000 . 4.000 2.776 2.370 3.508 . 0 0 "[ . 1 . 2]" 1
215 1 31 ASP H 1 31 ASP QB 3.700 . 3.700 2.259 2.049 2.629 . 0 0 "[ . 1 . 2]" 1
216 1 31 ASP H 1 32 LEU H 3.400 . 3.400 2.546 2.425 2.874 . 0 0 "[ . 1 . 2]" 1
217 1 31 ASP H 1 33 LYS H 5.000 . 5.000 4.154 3.999 4.417 . 0 0 "[ . 1 . 2]" 1
218 1 31 ASP HA 1 32 LEU H 4.300 . 4.300 3.518 3.440 3.569 . 0 0 "[ . 1 . 2]" 1
219 1 31 ASP HA 1 34 ASP H 4.500 . 4.500 3.623 3.251 3.955 . 0 0 "[ . 1 . 2]" 1
220 1 31 ASP HA 1 34 ASP QB 4.300 . 4.300 3.006 2.650 4.123 . 0 0 "[ . 1 . 2]" 1
221 1 31 ASP QB 1 32 LEU H 4.200 . 4.200 2.702 2.172 3.652 . 0 0 "[ . 1 . 2]" 1
222 1 32 LEU H 1 32 LEU QB 2.800 . 2.800 2.229 2.163 2.243 . 0 0 "[ . 1 . 2]" 1
223 1 32 LEU H 1 32 LEU QD 3.900 . 3.900 3.683 3.443 3.749 . 0 0 "[ . 1 . 2]" 1
224 1 32 LEU H 1 32 LEU HG 5.000 . 5.000 4.446 4.373 4.589 . 0 0 "[ . 1 . 2]" 1
225 1 32 LEU H 1 33 LYS H 3.700 . 3.700 2.648 2.505 2.744 . 0 0 "[ . 1 . 2]" 1
226 1 32 LEU H 1 34 ASP H 4.200 . 4.200 4.158 3.941 4.219 0.019 12 0 "[ . 1 . 2]" 1
227 1 32 LEU HA 1 32 LEU QD 2.500 . 2.500 2.146 1.963 2.369 . 0 0 "[ . 1 . 2]" 1
228 1 32 LEU HA 1 35 HIS H 3.800 . 3.800 3.483 3.305 3.645 . 0 0 "[ . 1 . 2]" 1
229 1 32 LEU HA 1 75 PHE HZ 3.500 . 3.500 3.135 2.002 3.512 0.012 6 0 "[ . 1 . 2]" 1
230 1 32 LEU QD 1 33 LYS H 4.200 . 4.200 3.841 3.677 4.038 . 0 0 "[ . 1 . 2]" 1
231 1 32 LEU QD 1 35 HIS H 4.700 . 4.700 4.284 3.810 4.596 . 0 0 "[ . 1 . 2]" 1
232 1 32 LEU QD 1 35 HIS QB 4.600 . 4.600 3.099 2.461 3.773 . 0 0 "[ . 1 . 2]" 1
233 1 32 LEU QD 1 36 MET H 4.400 . 4.400 3.953 3.488 4.405 0.005 11 0 "[ . 1 . 2]" 1
234 1 32 LEU QD 1 36 MET QG 3.800 . 3.800 2.936 2.234 3.541 . 0 0 "[ . 1 . 2]" 1
235 1 32 LEU QD 1 54 VAL H 4.000 . 4.000 3.547 2.948 4.005 0.005 7 0 "[ . 1 . 2]" 1
236 1 32 LEU QD 1 75 PHE QD 4.300 . 4.300 3.074 2.589 3.534 . 0 0 "[ . 1 . 2]" 1
237 1 32 LEU QD 1 85 ILE MG 3.500 . 3.500 3.167 2.847 3.507 0.007 11 0 "[ . 1 . 2]" 1
238 1 32 LEU HG 1 33 LYS H 4.500 . 4.500 3.702 3.499 4.305 . 0 0 "[ . 1 . 2]" 1
239 1 32 LEU HG 1 36 MET ME 4.800 . 4.800 4.307 3.656 4.817 0.017 17 0 "[ . 1 . 2]" 1
240 1 32 LEU O 1 36 MET H 2.000 . 2.300 2.000 1.737 2.303 0.003 15 0 "[ . 1 . 2]" 1
241 1 32 LEU O 1 36 MET N 2.900 2.600 3.200 2.846 2.583 3.048 0.017 16 0 "[ . 1 . 2]" 1
242 1 33 LYS H 1 33 LYS QB 3.100 . 3.100 2.227 2.031 2.962 . 0 0 "[ . 1 . 2]" 1
243 1 33 LYS H 1 33 LYS QG 3.900 . 3.900 3.668 1.809 3.989 0.089 13 0 "[ . 1 . 2]" 1
244 1 33 LYS H 1 34 ASP H 3.300 . 3.300 2.734 2.551 2.827 . 0 0 "[ . 1 . 2]" 1
245 1 33 LYS H 1 45 ALA MB 3.400 . 3.400 3.324 3.156 3.413 0.013 1 0 "[ . 1 . 2]" 1
246 1 33 LYS HA 1 33 LYS QG 3.000 . 3.000 2.524 2.138 3.255 0.255 2 0 "[ . 1 . 2]" 1
247 1 33 LYS HA 1 34 ASP H 4.700 . 4.700 3.531 3.480 3.561 . 0 0 "[ . 1 . 2]" 1
248 1 33 LYS HA 1 36 MET H 4.700 . 4.700 3.259 3.090 3.437 . 0 0 "[ . 1 . 2]" 1
249 1 33 LYS HA 1 42 VAL QG 2.800 . 2.800 2.683 2.417 2.805 0.005 14 0 "[ . 1 . 2]" 1
250 1 33 LYS HA 1 45 ALA MB 3.400 . 3.400 3.362 3.235 3.407 0.007 2 0 "[ . 1 . 2]" 1
251 1 33 LYS QB 1 34 ASP H 3.700 . 3.700 2.672 2.363 3.289 . 0 0 "[ . 1 . 2]" 1
252 1 33 LYS QB 1 45 ALA MB 2.900 . 2.900 2.361 1.872 2.925 0.025 15 0 "[ . 1 . 2]" 1
253 1 33 LYS QD 1 42 VAL QG 4.300 . 4.300 2.889 1.885 3.609 . 0 0 "[ . 1 . 2]" 1
254 1 33 LYS QE 1 42 VAL HB 4.100 . 4.100 2.990 1.974 4.104 0.004 7 0 "[ . 1 . 2]" 1
255 1 33 LYS QG 1 34 ASP H 4.300 . 4.300 3.675 1.952 4.312 0.012 1 0 "[ . 1 . 2]" 1
256 1 33 LYS O 1 37 ARG H 2.000 . 2.300 2.089 1.796 2.309 0.009 20 0 "[ . 1 . 2]" 1
257 1 33 LYS O 1 37 ARG N 2.900 2.600 3.200 2.756 2.592 2.970 0.008 15 0 "[ . 1 . 2]" 1
258 1 34 ASP H 1 34 ASP HA 2.900 . 2.900 2.810 2.770 2.848 . 0 0 "[ . 1 . 2]" 1
259 1 34 ASP H 1 34 ASP QB 2.800 . 2.800 2.277 2.099 2.595 . 0 0 "[ . 1 . 2]" 1
260 1 34 ASP H 1 35 HIS H 2.900 . 2.900 2.617 2.501 2.721 . 0 0 "[ . 1 . 2]" 1
261 1 34 ASP HA 1 34 ASP QB 2.800 . 2.800 2.418 2.182 2.507 . 0 0 "[ . 1 . 2]" 1
262 1 34 ASP HA 1 35 HIS H 3.400 . 3.400 3.454 3.450 3.462 0.062 13 0 "[ . 1 . 2]" 1
263 1 34 ASP HA 1 37 ARG QB 3.600 . 3.600 3.114 2.802 3.487 . 0 0 "[ . 1 . 2]" 1
264 1 34 ASP HA 1 37 ARG QD 3.800 . 3.800 3.275 1.968 3.812 0.012 16 0 "[ . 1 . 2]" 1
265 1 34 ASP QB 1 35 HIS H 4.100 . 4.100 2.938 2.875 3.593 . 0 0 "[ . 1 . 2]" 1
266 1 35 HIS H 1 35 HIS HA 2.900 . 2.900 2.904 2.890 2.923 0.023 13 0 "[ . 1 . 2]" 1
267 1 35 HIS H 1 35 HIS QB 2.500 . 2.500 2.249 2.148 2.321 . 0 0 "[ . 1 . 2]" 1
268 1 35 HIS H 1 36 MET H 2.500 . 2.500 2.294 2.179 2.371 . 0 0 "[ . 1 . 2]" 1
269 1 35 HIS H 1 36 MET QB 4.500 . 4.500 4.473 4.304 4.523 0.023 9 0 "[ . 1 . 2]" 1
270 1 35 HIS H 1 36 MET QG 4.200 . 4.200 3.833 3.441 4.202 0.002 12 0 "[ . 1 . 2]" 1
271 1 35 HIS H 1 37 ARG QG 4.400 . 4.400 4.268 3.809 4.421 0.021 2 0 "[ . 1 . 2]" 1
272 1 35 HIS H 1 75 PHE QD 5.000 . 5.000 4.881 4.338 5.017 0.017 7 0 "[ . 1 . 2]" 1
273 1 35 HIS HA 1 36 MET H 4.500 . 4.500 3.491 3.450 3.539 . 0 0 "[ . 1 . 2]" 1
274 1 35 HIS HA 1 37 ARG H 4.200 . 4.200 4.004 3.762 4.203 0.003 6 0 "[ . 1 . 2]" 1
275 1 35 HIS QB 1 36 MET H 4.100 . 4.100 2.843 2.565 3.172 . 0 0 "[ . 1 . 2]" 1
276 1 35 HIS QB 1 75 PHE QD 4.800 . 4.800 2.440 1.978 2.598 . 0 0 "[ . 1 . 2]" 1
277 1 36 MET H 1 36 MET QB 3.900 . 3.900 2.597 2.378 2.756 . 0 0 "[ . 1 . 2]" 1
278 1 36 MET H 1 36 MET QG 4.100 . 4.100 2.221 1.946 2.583 . 0 0 "[ . 1 . 2]" 1
279 1 36 MET H 1 37 ARG H 2.500 . 2.500 2.380 2.147 2.512 0.012 18 0 "[ . 1 . 2]" 1
280 1 36 MET H 1 42 VAL QG 4.900 . 4.900 4.088 3.621 4.417 . 0 0 "[ . 1 . 2]" 1
281 1 36 MET QB 1 37 ARG H 3.900 . 3.900 3.441 2.783 3.932 0.032 16 0 "[ . 1 . 2]" 1
282 1 36 MET ME 1 36 MET QG 2.500 . 2.500 2.439 2.370 2.515 0.015 1 0 "[ . 1 . 2]" 1
283 1 36 MET ME 1 66 ALA MB 2.500 . 2.500 2.408 2.070 2.524 0.024 16 0 "[ . 1 . 2]" 1
284 1 36 MET ME 1 87 VAL QG 3.800 . 3.800 2.555 1.859 3.560 . 0 0 "[ . 1 . 2]" 1
285 1 36 MET QG 1 37 ARG H 3.900 . 3.900 3.364 2.628 3.934 0.034 4 0 "[ . 1 . 2]" 1
286 1 36 MET QG 1 55 VAL QG 3.700 . 3.700 2.354 1.792 2.946 0.008 3 0 "[ . 1 . 2]" 1
287 1 37 ARG H 1 37 ARG QB 2.500 . 2.500 2.380 2.173 2.520 0.020 16 0 "[ . 1 . 2]" 1
288 1 37 ARG H 1 37 ARG QG 3.300 . 3.300 2.453 2.150 2.838 . 0 0 "[ . 1 . 2]" 1
289 1 37 ARG H 1 38 GLU H 3.100 . 3.100 2.767 2.661 2.888 . 0 0 "[ . 1 . 2]" 1
290 1 37 ARG H 1 42 VAL QG 3.500 . 3.500 3.330 2.704 3.519 0.019 12 0 "[ . 1 . 2]" 1
291 1 37 ARG QB 1 39 ALA H 4.600 . 4.600 4.617 4.493 4.674 0.074 14 0 "[ . 1 . 2]" 1
292 1 37 ARG QB 1 42 VAL QG 4.400 . 4.400 3.201 2.016 4.196 . 0 0 "[ . 1 . 2]" 1
293 1 37 ARG QG 1 38 GLU H 4.700 . 4.700 3.430 2.003 4.577 . 0 0 "[ . 1 . 2]" 1
294 1 38 GLU H 1 38 GLU HA 2.800 . 2.800 2.758 2.737 2.794 . 0 0 "[ . 1 . 2]" 1
295 1 38 GLU H 1 38 GLU QB 2.500 . 2.500 2.094 2.030 2.245 . 0 0 "[ . 1 . 2]" 1
296 1 38 GLU H 1 38 GLU QG 4.000 . 4.000 3.440 2.749 4.037 0.037 20 0 "[ . 1 . 2]" 1
297 1 38 GLU H 1 39 ALA MB 4.500 . 4.500 4.411 4.336 4.455 . 0 0 "[ . 1 . 2]" 1
298 1 38 GLU H 1 70 LEU QD 4.900 . 4.900 3.279 2.907 3.551 . 0 0 "[ . 1 . 2]" 1
299 1 38 GLU HA 1 39 ALA H 3.700 . 3.700 3.476 3.446 3.504 . 0 0 "[ . 1 . 2]" 1
300 1 38 GLU HA 1 40 GLY H 4.500 . 4.500 3.954 3.760 4.186 . 0 0 "[ . 1 . 2]" 1
301 1 38 GLU QB 1 39 ALA H 3.800 . 3.800 2.914 2.733 3.054 . 0 0 "[ . 1 . 2]" 1
302 1 38 GLU QB 1 40 GLY H 4.600 . 4.600 4.626 4.607 4.660 0.060 14 0 "[ . 1 . 2]" 1
303 1 38 GLU QB 1 70 LEU QD 3.600 . 3.600 2.126 1.779 2.820 0.021 8 0 "[ . 1 . 2]" 1
304 1 38 GLU QB 1 70 LEU HG 4.200 . 4.200 3.953 3.239 4.215 0.015 12 0 "[ . 1 . 2]" 1
305 1 38 GLU QG 1 39 ALA H 4.900 . 4.900 4.513 4.158 4.669 . 0 0 "[ . 1 . 2]" 1
306 1 39 ALA H 1 39 ALA MB 2.500 . 2.500 2.186 2.061 2.240 . 0 0 "[ . 1 . 2]" 1
307 1 39 ALA H 1 40 GLY H 2.500 . 2.500 2.508 2.418 2.580 0.080 12 0 "[ . 1 . 2]" 1
308 1 39 ALA H 1 42 VAL QG 5.500 . 5.500 4.471 3.929 5.171 . 0 0 "[ . 1 . 2]" 1
309 1 39 ALA H 1 66 ALA MB 4.600 . 4.600 4.391 3.928 4.598 . 0 0 "[ . 1 . 2]" 1
310 1 39 ALA H 1 70 LEU QD 4.600 . 4.600 2.262 1.964 3.194 . 0 0 "[ . 1 . 2]" 1
311 1 39 ALA H 1 70 LEU HG 4.500 . 4.500 4.419 3.904 4.521 0.021 9 0 "[ . 1 . 2]" 1
312 1 39 ALA HA 1 39 ALA MB 2.500 . 2.500 2.119 2.095 2.130 . 0 0 "[ . 1 . 2]" 1
313 1 39 ALA HA 1 40 GLY H 4.600 . 4.600 3.470 3.458 3.488 . 0 0 "[ . 1 . 2]" 1
314 1 39 ALA HA 1 65 TYR QD 3.100 . 3.100 2.354 1.981 2.866 . 0 0 "[ . 1 . 2]" 1
315 1 39 ALA HA 1 65 TYR QE 3.700 . 3.700 2.451 1.953 3.040 . 0 0 "[ . 1 . 2]" 1
316 1 39 ALA HA 1 66 ALA MB 4.200 . 4.200 4.157 3.955 4.211 0.011 4 0 "[ . 1 . 2]" 1
317 1 39 ALA MB 1 40 GLY H 2.800 . 2.800 2.817 2.803 2.834 0.034 14 0 "[ . 1 . 2]" 1
318 1 39 ALA MB 1 65 TYR QB 4.000 . 4.000 3.052 2.654 3.591 . 0 0 "[ . 1 . 2]" 1
319 1 39 ALA MB 1 65 TYR QD 2.500 . 2.500 2.383 2.146 2.516 0.016 12 0 "[ . 1 . 2]" 1
320 1 39 ALA MB 1 65 TYR QE 3.800 . 3.800 3.591 3.235 3.800 . 0 0 "[ . 1 . 2]" 1
321 1 39 ALA MB 1 66 ALA MB 2.500 . 2.500 2.062 1.885 2.274 . 0 0 "[ . 1 . 2]" 1
322 1 40 GLY H 1 41 ASP H 5.000 . 5.000 3.866 2.803 4.445 . 0 0 "[ . 1 . 2]" 1
323 1 40 GLY H 1 42 VAL QG 4.700 . 4.700 4.062 3.482 4.725 0.025 5 0 "[ . 1 . 2]" 1
324 1 40 GLY QA 1 41 ASP H 3.100 . 3.100 2.235 2.111 2.570 . 0 0 "[ . 1 . 2]" 1
325 1 41 ASP H 1 42 VAL H 5.000 . 5.000 4.233 3.653 4.510 . 0 0 "[ . 1 . 2]" 1
326 1 41 ASP H 1 58 VAL QG 4.500 . 4.500 4.193 3.632 4.504 0.004 12 0 "[ . 1 . 2]" 1
327 1 41 ASP HA 1 41 ASP QB 2.500 . 2.500 2.429 2.182 2.506 0.006 11 0 "[ . 1 . 2]" 1
328 1 41 ASP HA 1 42 VAL H 2.500 . 2.500 2.141 2.096 2.316 . 0 0 "[ . 1 . 2]" 1
329 1 41 ASP HA 1 42 VAL HB 4.500 . 4.500 4.545 4.530 4.573 0.073 12 0 "[ . 1 . 2]" 1
330 1 41 ASP HA 1 42 VAL QG 4.000 . 4.000 3.617 3.271 3.797 . 0 0 "[ . 1 . 2]" 1
331 1 41 ASP QB 1 42 VAL H 4.000 . 4.000 3.468 2.666 3.891 . 0 0 "[ . 1 . 2]" 1
332 1 41 ASP QB 1 58 VAL H 4.200 . 4.200 3.900 3.087 4.202 0.002 20 0 "[ . 1 . 2]" 1
333 1 41 ASP QB 1 58 VAL QG 2.500 . 2.500 2.274 1.967 2.510 0.010 4 0 "[ . 1 . 2]" 1
334 1 42 VAL H 1 42 VAL HB 2.800 . 2.800 2.511 2.429 2.821 0.021 5 0 "[ . 1 . 2]" 1
335 1 42 VAL H 1 42 VAL QG 2.700 . 2.700 2.409 2.051 2.708 0.008 2 0 "[ . 1 . 2]" 1
336 1 42 VAL HA 1 42 VAL QG 2.500 . 2.500 2.117 2.053 2.292 . 0 0 "[ . 1 . 2]" 1
337 1 42 VAL HA 1 43 CYS H 2.500 . 2.500 2.206 2.143 2.305 . 0 0 "[ . 1 . 2]" 1
338 1 42 VAL HA 1 44 TYR H 5.000 . 5.000 4.069 3.665 4.721 . 0 0 "[ . 1 . 2]" 1
339 1 42 VAL HA 1 57 PHE HA 3.300 . 3.300 2.512 2.014 3.169 . 0 0 "[ . 1 . 2]" 1
340 1 42 VAL HA 1 58 VAL H 4.300 . 4.300 3.784 3.203 4.303 0.003 7 0 "[ . 1 . 2]" 1
341 1 42 VAL HB 1 43 CYS H 5.000 . 5.000 4.072 3.807 4.301 . 0 0 "[ . 1 . 2]" 1
342 1 42 VAL QG 1 43 CYS H 2.600 . 2.600 2.331 1.934 2.617 0.017 16 0 "[ . 1 . 2]" 1
343 1 42 VAL QG 1 44 TYR H 4.500 . 4.500 2.518 2.160 3.102 . 0 0 "[ . 1 . 2]" 1
344 1 42 VAL QG 1 45 ALA H 6.000 . 6.000 4.149 3.836 4.628 . 0 0 "[ . 1 . 2]" 1
345 1 42 VAL QG 1 45 ALA MB 5.000 . 5.000 2.628 2.220 3.270 . 0 0 "[ . 1 . 2]" 1
346 1 42 VAL QG 1 55 VAL QG 3.000 . 3.000 2.021 1.784 2.461 0.016 12 0 "[ . 1 . 2]" 1
347 1 42 VAL QG 1 56 GLU H 3.700 . 3.700 3.214 2.724 3.546 . 0 0 "[ . 1 . 2]" 1
348 1 42 VAL QG 1 57 PHE HA 4.000 . 4.000 3.333 2.912 3.838 . 0 0 "[ . 1 . 2]" 1
349 1 43 CYS H 1 44 TYR H 5.000 . 5.000 2.238 1.953 2.865 . 0 0 "[ . 1 . 2]" 1
350 1 43 CYS H 1 57 PHE HA 3.900 . 3.900 2.463 1.949 3.274 . 0 0 "[ . 1 . 2]" 1
351 1 43 CYS H 1 58 VAL H 4.900 . 4.900 3.869 2.844 4.703 . 0 0 "[ . 1 . 2]" 1
352 1 43 CYS H 1 58 VAL QG 4.000 . 4.000 3.891 3.323 4.026 0.026 16 0 "[ . 1 . 2]" 1
353 1 43 CYS HA 1 43 CYS QB 2.500 . 2.500 2.405 2.182 2.526 0.026 7 0 "[ . 1 . 2]" 1
354 1 43 CYS HA 1 58 VAL QG 4.700 . 4.700 3.940 2.964 4.706 0.006 5 0 "[ . 1 . 2]" 1
355 1 43 CYS QB 1 58 VAL QG 3.600 . 3.600 2.873 1.993 3.611 0.011 18 0 "[ . 1 . 2]" 1
356 1 44 TYR H 1 45 ALA MB 5.100 . 5.100 4.442 4.198 4.781 . 0 0 "[ . 1 . 2]" 1
357 1 44 TYR H 1 55 VAL QG 4.700 . 4.700 3.713 3.200 4.276 . 0 0 "[ . 1 . 2]" 1
358 1 44 TYR H 1 56 GLU H 4.200 . 4.200 3.025 2.694 3.383 . 0 0 "[ . 1 . 2]" 1
359 1 44 TYR H 1 56 GLU QB 4.100 . 4.100 2.909 2.216 3.488 . 0 0 "[ . 1 . 2]" 1
360 1 44 TYR H 1 56 GLU O 2.000 . 2.300 2.138 1.837 2.308 0.008 14 0 "[ . 1 . 2]" 1
361 1 44 TYR HA 1 44 TYR QD 3.900 . 3.900 2.907 2.348 3.676 . 0 0 "[ . 1 . 2]" 1
362 1 44 TYR HA 1 45 ALA H 2.800 . 2.800 2.272 2.159 2.362 . 0 0 "[ . 1 . 2]" 1
363 1 44 TYR QB 1 56 GLU H 5.200 . 5.200 3.447 2.470 4.990 . 0 0 "[ . 1 . 2]" 1
364 1 44 TYR QB 1 56 GLU QG 4.500 . 4.500 3.793 3.266 4.505 0.005 18 0 "[ . 1 . 2]" 1
365 1 44 TYR QD 1 45 ALA H 4.600 . 4.600 2.959 2.245 3.484 . 0 0 "[ . 1 . 2]" 1
366 1 44 TYR QD 1 54 VAL QG 4.100 . 4.100 3.793 3.463 4.106 0.006 1 0 "[ . 1 . 2]" 1
367 1 44 TYR QD 1 56 GLU QG 4.600 . 4.600 3.848 2.393 4.605 0.005 3 0 "[ . 1 . 2]" 1
368 1 44 TYR QE 1 46 ASP QB 4.000 . 4.000 2.506 1.962 3.328 . 0 0 "[ . 1 . 2]" 1
369 1 44 TYR QE 1 54 VAL QG 3.200 . 3.200 2.882 2.259 3.213 0.013 18 0 "[ . 1 . 2]" 1
370 1 44 TYR N 1 56 GLU O 2.900 2.600 3.200 3.047 2.771 3.211 0.011 18 0 "[ . 1 . 2]" 1
371 1 44 TYR O 1 56 GLU H 2.000 . 2.300 1.788 1.696 2.067 0.004 1 0 "[ . 1 . 2]" 1
372 1 44 TYR O 1 56 GLU N 2.900 2.600 3.200 2.713 2.597 2.989 0.003 3 0 "[ . 1 . 2]" 1
373 1 45 ALA H 1 45 ALA MB 3.600 . 3.600 2.660 2.365 2.819 . 0 0 "[ . 1 . 2]" 1
374 1 45 ALA HA 1 45 ALA MB 2.500 . 2.500 2.112 2.091 2.127 . 0 0 "[ . 1 . 2]" 1
375 1 45 ALA HA 1 46 ASP H 3.000 . 3.000 2.268 2.147 2.564 . 0 0 "[ . 1 . 2]" 1
376 1 45 ALA HA 1 54 VAL H 4.800 . 4.800 4.748 4.459 4.823 0.023 19 0 "[ . 1 . 2]" 1
377 1 45 ALA HA 1 54 VAL QG 4.000 . 4.000 3.682 3.104 4.005 0.005 17 0 "[ . 1 . 2]" 1
378 1 45 ALA HA 1 55 VAL HA 3.100 . 3.100 2.106 1.964 2.296 . 0 0 "[ . 1 . 2]" 1
379 1 45 ALA HA 1 55 VAL QG 3.900 . 3.900 2.666 2.239 3.301 . 0 0 "[ . 1 . 2]" 1
380 1 45 ALA MB 1 46 ASP H 3.100 . 3.100 2.768 2.098 3.100 0.000 1 0 "[ . 1 . 2]" 1
381 1 45 ALA MB 1 47 VAL QG 3.700 . 3.700 3.691 3.512 3.724 0.024 14 0 "[ . 1 . 2]" 1
382 1 45 ALA MB 1 55 VAL QG 2.800 . 2.800 2.117 1.806 2.383 . 0 0 "[ . 1 . 2]" 1
383 1 45 ALA MB 1 56 GLU H 4.400 . 4.400 3.864 3.471 4.310 . 0 0 "[ . 1 . 2]" 1
384 1 46 ASP H 1 47 VAL QG 4.300 . 4.300 3.709 3.334 3.958 . 0 0 "[ . 1 . 2]" 1
385 1 46 ASP H 1 54 VAL H 3.200 . 3.200 2.972 2.482 3.169 . 0 0 "[ . 1 . 2]" 1
386 1 46 ASP H 1 54 VAL QG 3.500 . 3.500 2.618 2.011 3.316 . 0 0 "[ . 1 . 2]" 1
387 1 46 ASP H 1 54 VAL O 2.000 . 2.300 1.892 1.692 2.231 0.008 16 0 "[ . 1 . 2]" 1
388 1 46 ASP QB 1 47 VAL H 4.000 . 4.000 3.389 2.847 3.896 . 0 0 "[ . 1 . 2]" 1
389 1 46 ASP QB 1 54 VAL QG 3.200 . 3.200 1.967 1.790 2.494 0.010 6 0 "[ . 1 . 2]" 1
390 1 46 ASP N 1 54 VAL O 2.900 2.600 3.200 2.803 2.609 3.174 . 0 0 "[ . 1 . 2]" 1
391 1 46 ASP O 1 54 VAL H 2.000 . 2.300 1.843 1.691 2.063 0.009 1 0 "[ . 1 . 2]" 1
392 1 46 ASP O 1 54 VAL N 2.900 2.600 3.200 2.743 2.596 3.002 0.004 12 0 "[ . 1 . 2]" 1
393 1 47 VAL H 1 47 VAL QG 3.400 . 3.400 2.129 1.887 2.711 . 0 0 "[ . 1 . 2]" 1
394 1 47 VAL HA 1 47 VAL HB 3.100 . 3.100 2.571 2.452 3.023 . 0 0 "[ . 1 . 2]" 1
395 1 47 VAL HA 1 47 VAL QG 2.500 . 2.500 2.206 2.052 2.330 . 0 0 "[ . 1 . 2]" 1
396 1 47 VAL HA 1 48 TYR H 2.900 . 2.900 2.170 2.132 2.264 . 0 0 "[ . 1 . 2]" 1
397 1 47 VAL HA 1 48 TYR HA 4.700 . 4.700 4.391 4.354 4.427 . 0 0 "[ . 1 . 2]" 1
398 1 47 VAL HA 1 53 GLY QA 3.200 . 3.200 2.160 1.877 2.530 . 0 0 "[ . 1 . 2]" 1
399 1 47 VAL HA 1 54 VAL H 3.600 . 3.600 3.354 2.968 3.600 . 0 0 "[ . 1 . 2]" 1
400 1 47 VAL HB 1 48 TYR H 4.700 . 4.700 3.438 2.793 4.388 . 0 0 "[ . 1 . 2]" 1
401 1 47 VAL QG 1 48 TYR H 3.600 . 3.600 3.443 2.581 3.641 0.041 8 0 "[ . 1 . 2]" 1
402 1 47 VAL QG 1 53 GLY QA 4.100 . 4.100 2.636 1.972 3.226 . 0 0 "[ . 1 . 2]" 1
403 1 48 TYR HA 1 49 ARG H 4.000 . 4.000 2.270 2.136 2.325 . 0 0 "[ . 1 . 2]" 1
404 1 48 TYR QB 1 48 TYR QD 2.900 . 2.900 2.164 2.135 2.254 . 0 0 "[ . 1 . 2]" 1
405 1 48 TYR QB 1 49 ARG H 4.900 . 4.900 2.878 2.573 3.658 . 0 0 "[ . 1 . 2]" 1
406 1 48 TYR QB 1 50 ASP H 4.600 . 4.600 3.101 2.089 4.495 . 0 0 "[ . 1 . 2]" 1
407 1 48 TYR QE 1 54 VAL QG 5.300 . 5.300 3.261 1.908 5.297 . 0 0 "[ . 1 . 2]" 1
408 1 49 ARG H 1 49 ARG QG 4.100 . 4.100 3.558 2.460 4.143 0.043 13 0 "[ . 1 . 2]" 1
409 1 49 ARG H 1 50 ASP H 4.400 . 4.400 2.989 2.413 4.237 . 0 0 "[ . 1 . 2]" 1
410 1 49 ARG HA 1 49 ARG QB 2.700 . 2.700 2.443 2.348 2.536 . 0 0 "[ . 1 . 2]" 1
411 1 49 ARG HA 1 49 ARG QG 2.600 . 2.600 2.286 2.086 2.569 . 0 0 "[ . 1 . 2]" 1
412 1 49 ARG HA 1 50 ASP H 3.900 . 3.900 3.240 2.206 3.560 . 0 0 "[ . 1 . 2]" 1
413 1 49 ARG QB 1 50 ASP H 4.200 . 4.200 3.127 1.870 3.902 . 0 0 "[ . 1 . 2]" 1
414 1 50 ASP H 1 51 GLY H 2.600 . 2.600 2.351 1.824 2.622 0.022 12 0 "[ . 1 . 2]" 1
415 1 50 ASP H 1 52 THR H 4.300 . 4.300 3.827 3.098 4.303 0.003 18 0 "[ . 1 . 2]" 1
416 1 50 ASP HA 1 50 ASP QB 2.700 . 2.700 2.359 2.152 2.541 . 0 0 "[ . 1 . 2]" 1
417 1 51 GLY H 1 52 THR H 3.300 . 3.300 2.151 1.907 2.942 . 0 0 "[ . 1 . 2]" 1
418 1 51 GLY QA 1 52 THR H 5.100 . 5.100 2.766 2.546 2.926 . 0 0 "[ . 1 . 2]" 1
419 1 52 THR H 1 52 THR MG 4.200 . 4.200 3.157 2.595 3.603 . 0 0 "[ . 1 . 2]" 1
420 1 52 THR HA 1 52 THR HB 2.600 . 2.600 2.553 2.492 2.619 0.019 2 0 "[ . 1 . 2]" 1
421 1 52 THR HA 1 52 THR MG 3.400 . 3.400 2.242 2.140 2.379 . 0 0 "[ . 1 . 2]" 1
422 1 52 THR HA 1 53 GLY H 2.600 . 2.600 2.454 2.362 2.618 0.018 9 0 "[ . 1 . 2]" 1
423 1 52 THR HB 1 52 THR MG 2.500 . 2.500 2.091 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
424 1 52 THR HB 1 53 GLY H 2.500 . 2.500 2.335 1.965 2.508 0.008 18 0 "[ . 1 . 2]" 1
425 1 52 THR MG 1 53 GLY H 3.600 . 3.600 3.510 3.294 3.605 0.005 10 0 "[ . 1 . 2]" 1
426 1 53 GLY H 1 54 VAL H 5.200 . 5.200 4.348 4.155 4.409 . 0 0 "[ . 1 . 2]" 1
427 1 53 GLY QA 1 54 VAL H 3.400 . 3.400 2.262 2.183 2.289 . 0 0 "[ . 1 . 2]" 1
428 1 54 VAL H 1 54 VAL HB 4.000 . 4.000 3.877 3.505 3.962 . 0 0 "[ . 1 . 2]" 1
429 1 54 VAL H 1 54 VAL QG 2.500 . 2.500 2.274 2.061 2.456 . 0 0 "[ . 1 . 2]" 1
430 1 54 VAL H 1 55 VAL QG 3.700 . 3.700 3.516 3.357 3.726 0.026 11 0 "[ . 1 . 2]" 1
431 1 54 VAL HA 1 54 VAL HB 3.000 . 3.000 2.472 2.335 2.553 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL HA 1 54 VAL QG 2.600 . 2.600 2.240 2.100 2.431 . 0 0 "[ . 1 . 2]" 1
433 1 54 VAL HA 1 55 VAL H 2.500 . 2.500 2.291 2.152 2.511 0.011 11 0 "[ . 1 . 2]" 1
434 1 54 VAL HB 1 55 VAL H 3.500 . 3.500 2.820 2.186 3.608 0.108 14 0 "[ . 1 . 2]" 1
435 1 55 VAL H 1 55 VAL HB 3.500 . 3.500 2.980 2.750 3.409 . 0 0 "[ . 1 . 2]" 1
436 1 55 VAL HB 1 56 GLU H 4.800 . 4.800 3.830 3.529 4.202 . 0 0 "[ . 1 . 2]" 1
437 1 55 VAL QG 1 56 GLU H 4.500 . 4.500 2.211 1.894 2.848 . 0 0 "[ . 1 . 2]" 1
438 1 56 GLU HA 1 56 GLU QG 3.100 . 3.100 2.226 2.040 2.655 . 0 0 "[ . 1 . 2]" 1
439 1 56 GLU HA 1 57 PHE H 3.400 . 3.400 2.155 2.138 2.191 . 0 0 "[ . 1 . 2]" 1
440 1 57 PHE HA 1 58 VAL H 2.900 . 2.900 2.398 2.187 2.557 . 0 0 "[ . 1 . 2]" 1
441 1 57 PHE HA 1 58 VAL QG 4.100 . 4.100 3.594 3.355 3.824 . 0 0 "[ . 1 . 2]" 1
442 1 57 PHE QB 1 58 VAL H 4.700 . 4.700 2.511 2.098 3.112 . 0 0 "[ . 1 . 2]" 1
443 1 57 PHE QD 1 63 MET HA 3.700 . 3.700 2.685 1.976 3.088 . 0 0 "[ . 1 . 2]" 1
444 1 57 PHE QE 1 63 MET HA 3.700 . 3.700 2.842 1.974 3.707 0.007 14 0 "[ . 1 . 2]" 1
445 1 57 PHE QE 1 63 MET QG 4.300 . 4.300 3.313 2.342 4.298 . 0 0 "[ . 1 . 2]" 1
446 1 58 VAL H 1 58 VAL HB 2.700 . 2.700 2.591 2.539 2.708 0.008 19 0 "[ . 1 . 2]" 1
447 1 58 VAL H 1 58 VAL QG 3.400 . 3.400 2.115 1.970 2.424 . 0 0 "[ . 1 . 2]" 1
448 1 58 VAL H 1 59 ARG H 4.100 . 4.100 2.915 2.459 3.728 . 0 0 "[ . 1 . 2]" 1
449 1 58 VAL HA 1 58 VAL QG 2.500 . 2.500 2.197 2.100 2.357 . 0 0 "[ . 1 . 2]" 1
450 1 58 VAL QG 1 59 ARG H 4.300 . 4.300 2.739 2.136 3.420 . 0 0 "[ . 1 . 2]" 1
451 1 58 VAL QG 1 59 ARG HA 3.400 . 3.400 3.423 3.339 3.581 0.181 19 0 "[ . 1 . 2]" 1
452 1 59 ARG H 1 59 ARG QG 4.500 . 4.500 3.757 2.537 4.247 . 0 0 "[ . 1 . 2]" 1
453 1 59 ARG HA 1 59 ARG QG 2.700 . 2.700 2.326 2.019 2.696 . 0 0 "[ . 1 . 2]" 1
454 1 59 ARG HA 1 60 LYS H 2.500 . 2.500 2.305 2.152 2.410 . 0 0 "[ . 1 . 2]" 1
455 1 59 ARG QB 1 60 LYS H 4.200 . 4.200 3.139 2.452 3.788 . 0 0 "[ . 1 . 2]" 1
456 1 60 LYS H 1 60 LYS QB 2.900 . 2.900 2.240 2.184 2.265 . 0 0 "[ . 1 . 2]" 1
457 1 60 LYS H 1 60 LYS QD 4.200 . 4.200 4.189 3.991 4.266 0.066 19 0 "[ . 1 . 2]" 1
458 1 60 LYS H 1 60 LYS QG 4.300 . 4.300 4.013 3.949 4.051 . 0 0 "[ . 1 . 2]" 1
459 1 60 LYS H 1 61 GLU H 5.000 . 5.000 2.616 2.501 2.795 . 0 0 "[ . 1 . 2]" 1
460 1 60 LYS HA 1 60 LYS QG 2.700 . 2.700 2.477 2.225 2.705 0.005 15 0 "[ . 1 . 2]" 1
461 1 60 LYS HA 1 61 GLU H 5.100 . 5.100 3.497 3.461 3.561 . 0 0 "[ . 1 . 2]" 1
462 1 60 LYS HA 1 63 MET H 4.200 . 4.200 3.221 3.029 3.333 . 0 0 "[ . 1 . 2]" 1
463 1 60 LYS HA 1 63 MET QB 4.200 . 4.200 2.613 2.135 2.985 . 0 0 "[ . 1 . 2]" 1
464 1 60 LYS QB 1 61 GLU H 3.800 . 3.800 2.751 2.350 2.949 . 0 0 "[ . 1 . 2]" 1
465 1 60 LYS QD 1 63 MET ME 2.800 . 2.800 2.650 2.107 2.817 0.017 11 0 "[ . 1 . 2]" 1
466 1 60 LYS QE 1 63 MET ME 2.500 . 2.500 2.263 1.831 2.511 0.011 19 0 "[ . 1 . 2]" 1
467 1 60 LYS QG 1 63 MET ME 2.500 . 2.500 2.297 1.872 2.509 0.009 4 0 "[ . 1 . 2]" 1
468 1 61 GLU H 1 61 GLU QB 3.000 . 3.000 2.348 2.069 2.620 . 0 0 "[ . 1 . 2]" 1
469 1 61 GLU H 1 61 GLU QG 4.600 . 4.600 2.840 1.969 4.032 . 0 0 "[ . 1 . 2]" 1
470 1 61 GLU H 1 62 ASP H 4.200 . 4.200 2.717 2.619 2.884 . 0 0 "[ . 1 . 2]" 1
471 1 61 GLU HA 1 61 GLU QB 2.500 . 2.500 2.361 2.178 2.513 0.013 3 0 "[ . 1 . 2]" 1
472 1 61 GLU HA 1 61 GLU QG 3.500 . 3.500 2.754 2.135 3.388 . 0 0 "[ . 1 . 2]" 1
473 1 61 GLU HA 1 62 ASP H 4.800 . 4.800 3.518 3.472 3.563 . 0 0 "[ . 1 . 2]" 1
474 1 61 GLU HA 1 64 THR H 4.200 . 4.200 3.965 3.730 4.204 0.004 11 0 "[ . 1 . 2]" 1
475 1 61 GLU O 1 65 TYR H 2.000 . 2.300 2.292 2.127 2.317 0.017 17 0 "[ . 1 . 2]" 1
476 1 61 GLU O 1 65 TYR N 2.900 2.600 3.200 3.125 2.943 3.204 0.004 11 0 "[ . 1 . 2]" 1
477 1 62 ASP H 1 62 ASP QB 3.000 . 3.000 2.415 2.066 2.738 . 0 0 "[ . 1 . 2]" 1
478 1 62 ASP H 1 63 MET H 2.500 . 2.500 2.509 2.493 2.529 0.029 12 0 "[ . 1 . 2]" 1
479 1 62 ASP HA 1 65 TYR QB 3.500 . 3.500 2.450 2.194 2.661 . 0 0 "[ . 1 . 2]" 1
480 1 62 ASP O 1 66 ALA H 2.000 . 2.300 2.154 1.893 2.287 . 0 0 "[ . 1 . 2]" 1
481 1 62 ASP O 1 66 ALA N 2.900 2.600 3.200 3.058 2.829 3.202 0.002 8 0 "[ . 1 . 2]" 1
482 1 63 MET H 1 63 MET QG 4.000 . 4.000 3.980 3.970 3.993 . 0 0 "[ . 1 . 2]" 1
483 1 63 MET H 1 64 THR H 3.800 . 3.800 2.877 2.771 3.065 . 0 0 "[ . 1 . 2]" 1
484 1 63 MET H 1 65 TYR H 4.600 . 4.600 3.841 3.741 4.033 . 0 0 "[ . 1 . 2]" 1
485 1 63 MET HA 1 63 MET ME 4.000 . 4.000 4.021 3.979 4.097 0.097 11 0 "[ . 1 . 2]" 1
486 1 63 MET HA 1 63 MET QG 4.000 . 4.000 2.512 2.324 2.574 . 0 0 "[ . 1 . 2]" 1
487 1 63 MET HA 1 64 THR H 5.100 . 5.100 3.565 3.514 3.571 . 0 0 "[ . 1 . 2]" 1
488 1 63 MET HA 1 66 ALA H 4.700 . 4.700 3.632 3.445 3.815 . 0 0 "[ . 1 . 2]" 1
489 1 63 MET HA 1 66 ALA MB 3.200 . 3.200 3.084 2.885 3.215 0.015 16 0 "[ . 1 . 2]" 1
490 1 63 MET HA 1 67 VAL QG 4.600 . 4.600 3.973 3.750 4.178 . 0 0 "[ . 1 . 2]" 1
491 1 63 MET QB 1 63 MET ME 2.500 . 2.500 2.050 1.865 2.502 0.002 18 0 "[ . 1 . 2]" 1
492 1 63 MET QB 1 64 THR H 4.400 . 4.400 2.110 1.808 2.230 . 0 0 "[ . 1 . 2]" 1
493 1 63 MET ME 1 64 THR HA 2.500 . 2.500 2.428 1.959 2.555 0.055 11 0 "[ . 1 . 2]" 1
494 1 63 MET ME 1 64 THR HB 4.400 . 4.400 3.376 2.876 3.599 . 0 0 "[ . 1 . 2]" 1
495 1 63 MET ME 1 89 VAL QG 2.500 . 2.500 2.297 2.020 2.512 0.012 19 0 "[ . 1 . 2]" 1
496 1 63 MET QG 1 64 THR H 3.300 . 3.300 3.325 3.302 3.541 0.241 11 0 "[ . 1 . 2]" 1
497 1 63 MET QG 1 67 VAL QG 3.500 . 3.500 2.917 2.623 3.505 0.005 11 0 "[ . 1 . 2]" 1
498 1 63 MET QG 1 89 VAL QG 3.700 . 3.700 3.074 2.464 3.693 . 0 0 "[ . 1 . 2]" 1
499 1 63 MET O 1 67 VAL H 2.000 . 2.300 2.228 2.067 2.279 . 0 0 "[ . 1 . 2]" 1
500 1 63 MET O 1 67 VAL N 2.900 2.600 3.200 3.181 3.040 3.233 0.033 8 0 "[ . 1 . 2]" 1
501 1 64 THR H 1 64 THR HB 2.500 . 2.500 2.495 2.435 2.522 0.022 2 0 "[ . 1 . 2]" 1
502 1 64 THR H 1 65 TYR H 3.100 . 3.100 2.746 2.653 2.940 . 0 0 "[ . 1 . 2]" 1
503 1 64 THR HA 1 64 THR HB 3.000 . 3.000 3.018 3.011 3.021 0.021 15 0 "[ . 1 . 2]" 1
504 1 64 THR HA 1 64 THR MG 2.500 . 2.500 2.451 2.386 2.532 0.032 11 0 "[ . 1 . 2]" 1
505 1 64 THR HA 1 65 TYR H 3.900 . 3.900 3.507 3.489 3.553 . 0 0 "[ . 1 . 2]" 1
506 1 64 THR HA 1 67 VAL H 3.700 . 3.700 3.558 3.430 3.620 . 0 0 "[ . 1 . 2]" 1
507 1 64 THR HA 1 67 VAL QG 2.500 . 2.500 1.862 1.799 1.985 0.001 16 0 "[ . 1 . 2]" 1
508 1 64 THR HB 1 64 THR MG 2.500 . 2.500 2.082 2.070 2.112 . 0 0 "[ . 1 . 2]" 1
509 1 64 THR HB 1 65 TYR H 2.900 . 2.900 2.784 2.622 2.862 . 0 0 "[ . 1 . 2]" 1
510 1 64 THR HB 1 65 TYR QB 4.500 . 4.500 4.226 4.166 4.348 . 0 0 "[ . 1 . 2]" 1
511 1 64 THR MG 1 65 TYR H 3.600 . 3.600 3.586 3.148 3.628 0.028 9 0 "[ . 1 . 2]" 1
512 1 64 THR MG 1 65 TYR HA 4.700 . 4.700 3.649 3.294 3.718 . 0 0 "[ . 1 . 2]" 1
513 1 64 THR MG 1 67 VAL H 4.700 . 4.700 4.716 4.536 4.765 0.065 1 0 "[ . 1 . 2]" 1
514 1 64 THR MG 1 68 ARG H 4.800 . 4.800 4.120 3.730 4.296 . 0 0 "[ . 1 . 2]" 1
515 1 64 THR MG 1 68 ARG QD 2.800 . 2.800 2.290 1.915 2.824 0.024 17 0 "[ . 1 . 2]" 1
516 1 64 THR MG 1 68 ARG QG 4.000 . 4.000 3.155 1.800 3.990 . 0 0 "[ . 1 . 2]" 1
517 1 65 TYR H 1 65 TYR QB 2.500 . 2.500 2.243 2.203 2.261 . 0 0 "[ . 1 . 2]" 1
518 1 65 TYR H 1 65 TYR QD 4.400 . 4.400 4.183 4.110 4.201 . 0 0 "[ . 1 . 2]" 1
519 1 65 TYR H 1 66 ALA H 2.700 . 2.700 2.700 2.595 2.746 0.046 16 0 "[ . 1 . 2]" 1
520 1 65 TYR HA 1 65 TYR QD 3.300 . 3.300 3.097 2.739 3.236 . 0 0 "[ . 1 . 2]" 1
521 1 65 TYR HA 1 66 ALA H 4.700 . 4.700 3.540 3.514 3.550 . 0 0 "[ . 1 . 2]" 1
522 1 65 TYR HA 1 67 VAL H 4.900 . 4.900 4.624 4.411 4.822 . 0 0 "[ . 1 . 2]" 1
523 1 65 TYR HA 1 67 VAL QG 4.600 . 4.600 4.176 4.060 4.372 . 0 0 "[ . 1 . 2]" 1
524 1 65 TYR HA 1 68 ARG QB 3.500 . 3.500 2.800 2.356 3.558 0.058 13 0 "[ . 1 . 2]" 1
525 1 65 TYR QB 1 65 TYR QD 2.700 . 2.700 2.138 2.135 2.144 . 0 0 "[ . 1 . 2]" 1
526 1 65 TYR QB 1 66 ALA H 3.800 . 3.800 2.446 2.358 2.659 . 0 0 "[ . 1 . 2]" 1
527 1 65 TYR QB 1 66 ALA MB 4.600 . 4.600 3.773 3.671 3.852 . 0 0 "[ . 1 . 2]" 1
528 1 65 TYR QB 1 67 VAL H 4.800 . 4.800 4.825 4.768 4.888 0.088 9 0 "[ . 1 . 2]" 1
529 1 65 TYR QD 1 66 ALA H 4.000 . 4.000 3.098 2.513 3.451 . 0 0 "[ . 1 . 2]" 1
530 1 65 TYR QD 1 66 ALA HA 4.300 . 4.300 2.754 2.344 3.333 . 0 0 "[ . 1 . 2]" 1
531 1 65 TYR QD 1 66 ALA MB 3.700 . 3.700 3.486 2.996 3.705 0.005 5 0 "[ . 1 . 2]" 1
532 1 65 TYR QD 1 70 LEU QD 4.500 . 4.500 3.592 3.092 4.246 . 0 0 "[ . 1 . 2]" 1
533 1 65 TYR QD 1 70 LEU HG 4.300 . 4.300 3.651 2.693 4.333 0.033 8 0 "[ . 1 . 2]" 1
534 1 65 TYR QE 1 69 LYS QD 4.300 . 4.300 3.707 2.522 4.309 0.009 20 0 "[ . 1 . 2]" 1
535 1 65 TYR QE 1 69 LYS QG 4.000 . 4.000 3.000 2.424 3.825 . 0 0 "[ . 1 . 2]" 1
536 1 65 TYR QE 1 70 LEU HG 4.300 . 4.300 3.560 2.595 4.334 0.034 9 0 "[ . 1 . 2]" 1
537 1 65 TYR O 1 69 LYS H 2.000 . 2.300 1.814 1.678 2.006 0.022 15 0 "[ . 1 . 2]" 1
538 1 65 TYR O 1 69 LYS N 2.900 2.600 3.200 2.655 2.573 2.892 0.027 12 0 "[ . 1 . 2]" 1
539 1 66 ALA H 1 66 ALA HA 2.700 . 2.700 2.776 2.752 2.805 0.105 13 0 "[ . 1 . 2]" 1
540 1 66 ALA H 1 66 ALA MB 2.500 . 2.500 2.185 2.045 2.224 . 0 0 "[ . 1 . 2]" 1
541 1 66 ALA H 1 67 VAL H 3.300 . 3.300 2.799 2.605 2.905 . 0 0 "[ . 1 . 2]" 1
542 1 66 ALA HA 1 66 ALA MB 2.500 . 2.500 2.118 2.093 2.126 . 0 0 "[ . 1 . 2]" 1
543 1 66 ALA HA 1 67 VAL H 4.600 . 4.600 3.558 3.517 3.570 . 0 0 "[ . 1 . 2]" 1
544 1 66 ALA HA 1 69 LYS H 4.700 . 4.700 3.946 3.189 4.388 . 0 0 "[ . 1 . 2]" 1
545 1 66 ALA HA 1 70 LEU H 4.100 . 4.100 2.588 2.303 2.937 . 0 0 "[ . 1 . 2]" 1
546 1 66 ALA HA 1 70 LEU QB 4.200 . 4.200 2.451 1.832 4.251 0.051 16 0 "[ . 1 . 2]" 1
547 1 66 ALA HA 1 70 LEU QD 4.200 . 4.200 2.700 2.178 3.406 . 0 0 "[ . 1 . 2]" 1
548 1 66 ALA HA 1 70 LEU HG 2.800 . 2.800 2.541 1.985 2.828 0.028 2 0 "[ . 1 . 2]" 1
549 1 66 ALA MB 1 67 VAL H 2.500 . 2.500 2.431 2.302 2.550 0.050 13 0 "[ . 1 . 2]" 1
550 1 66 ALA MB 1 67 VAL HA 4.700 . 4.700 3.774 3.632 3.837 . 0 0 "[ . 1 . 2]" 1
551 1 66 ALA MB 1 67 VAL QG 3.000 . 3.000 2.966 2.812 3.021 0.021 1 0 "[ . 1 . 2]" 1
552 1 66 ALA MB 1 68 ARG H 4.800 . 4.800 4.248 4.125 4.470 . 0 0 "[ . 1 . 2]" 1
553 1 66 ALA MB 1 70 LEU H 4.100 . 4.100 4.003 3.745 4.125 0.025 13 0 "[ . 1 . 2]" 1
554 1 66 ALA MB 1 70 LEU QD 3.000 . 3.000 2.375 1.852 3.007 0.007 8 0 "[ . 1 . 2]" 1
555 1 66 ALA MB 1 87 VAL QG 4.000 . 4.000 2.701 2.208 3.201 . 0 0 "[ . 1 . 2]" 1
556 1 66 ALA O 1 70 LEU H 2.000 . 2.300 2.292 2.078 2.355 0.055 9 0 "[ . 1 . 2]" 1
557 1 66 ALA O 1 70 LEU N 2.900 2.600 3.200 2.768 2.598 2.987 0.002 2 0 "[ . 1 . 2]" 1
558 1 67 VAL H 1 67 VAL HB 3.500 . 3.500 3.586 3.573 3.593 0.093 11 0 "[ . 1 . 2]" 1
559 1 67 VAL H 1 67 VAL QG 2.500 . 2.500 1.842 1.800 1.888 0.000 7 0 "[ . 1 . 2]" 1
560 1 67 VAL H 1 68 ARG H 3.000 . 3.000 2.575 2.398 2.748 . 0 0 "[ . 1 . 2]" 1
561 1 67 VAL H 1 68 ARG QB 4.400 . 4.400 4.406 4.245 4.525 0.125 16 0 "[ . 1 . 2]" 1
562 1 67 VAL H 1 69 LYS H 5.000 . 5.000 4.608 3.915 5.036 0.036 12 0 "[ . 1 . 2]" 1
563 1 67 VAL H 1 87 VAL QG 4.300 . 4.300 3.540 2.888 3.976 . 0 0 "[ . 1 . 2]" 1
564 1 67 VAL HA 1 67 VAL QG 2.500 . 2.500 2.176 2.105 2.285 . 0 0 "[ . 1 . 2]" 1
565 1 67 VAL HA 1 68 ARG H 4.100 . 4.100 3.451 3.413 3.520 . 0 0 "[ . 1 . 2]" 1
566 1 67 VAL HA 1 70 LEU H 5.100 . 5.100 4.784 4.405 5.094 . 0 0 "[ . 1 . 2]" 1
567 1 67 VAL HA 1 87 VAL HB 3.500 . 3.500 2.406 1.908 3.011 . 0 0 "[ . 1 . 2]" 1
568 1 67 VAL HA 1 87 VAL QG 3.000 . 3.000 2.597 2.184 3.004 0.004 9 0 "[ . 1 . 2]" 1
569 1 67 VAL QG 1 68 ARG H 2.500 . 2.500 2.325 1.971 2.451 . 0 0 "[ . 1 . 2]" 1
570 1 67 VAL QG 1 68 ARG HA 4.000 . 4.000 3.522 3.379 3.848 . 0 0 "[ . 1 . 2]" 1
571 1 67 VAL QG 1 68 ARG QD 3.800 . 3.800 3.389 1.806 3.835 0.035 13 0 "[ . 1 . 2]" 1
572 1 67 VAL QG 1 69 LYS H 5.000 . 5.000 4.397 4.019 4.682 . 0 0 "[ . 1 . 2]" 1
573 1 67 VAL QG 1 71 ASP QB 4.300 . 4.300 4.150 3.446 4.349 0.049 1 0 "[ . 1 . 2]" 1
574 1 67 VAL QG 1 87 VAL HB 3.000 . 3.000 3.001 2.921 3.020 0.020 18 0 "[ . 1 . 2]" 1
575 1 67 VAL QG 1 87 VAL QG 3.000 . 3.000 1.886 1.799 2.315 0.001 4 0 "[ . 1 . 2]" 1
576 1 67 VAL QG 1 88 LYS HA 3.000 . 3.000 2.395 1.883 2.967 . 0 0 "[ . 1 . 2]" 1
577 1 67 VAL QG 1 88 LYS QB 4.700 2.800 4.700 3.824 3.469 4.151 . 0 0 "[ . 1 . 2]" 1
578 1 67 VAL QG 1 89 VAL HA 3.200 . 3.200 2.894 2.598 3.215 0.015 18 0 "[ . 1 . 2]" 1
579 1 68 ARG H 1 68 ARG HA 2.800 . 2.800 2.881 2.854 2.910 0.110 12 0 "[ . 1 . 2]" 1
580 1 68 ARG H 1 68 ARG QB 2.500 . 2.500 2.242 2.071 2.522 0.022 13 0 "[ . 1 . 2]" 1
581 1 68 ARG H 1 68 ARG QD 4.600 . 4.600 3.705 2.400 4.307 . 0 0 "[ . 1 . 2]" 1
582 1 68 ARG H 1 68 ARG QG 3.600 . 3.600 3.054 2.152 3.660 0.060 8 0 "[ . 1 . 2]" 1
583 1 68 ARG H 1 69 LYS H 2.800 . 2.800 2.586 2.170 2.833 0.033 7 0 "[ . 1 . 2]" 1
584 1 68 ARG H 1 69 LYS QB 4.700 . 4.700 4.413 3.981 4.635 . 0 0 "[ . 1 . 2]" 1
585 1 68 ARG H 1 70 LEU H 4.800 . 4.800 3.874 3.378 4.370 . 0 0 "[ . 1 . 2]" 1
586 1 68 ARG HA 1 68 ARG QB 2.500 . 2.500 2.408 2.151 2.534 0.034 18 0 "[ . 1 . 2]" 1
587 1 68 ARG HA 1 68 ARG QD 5.000 . 5.000 3.642 2.101 4.523 . 0 0 "[ . 1 . 2]" 1
588 1 68 ARG HA 1 68 ARG QG 3.200 . 3.200 2.491 2.025 3.302 0.102 13 0 "[ . 1 . 2]" 1
589 1 68 ARG HA 1 69 LYS H 4.100 . 4.100 3.524 3.458 3.550 . 0 0 "[ . 1 . 2]" 1
590 1 68 ARG QB 1 68 ARG QD 2.500 . 2.500 2.175 1.911 2.500 . 0 0 "[ . 1 . 2]" 1
591 1 68 ARG QB 1 69 LYS H 3.500 . 3.500 2.419 2.036 3.545 0.045 4 0 "[ . 1 . 2]" 1
592 1 68 ARG QB 1 69 LYS QG 4.500 . 4.500 3.989 2.609 4.598 0.098 13 0 "[ . 1 . 2]" 1
593 1 68 ARG QD 1 68 ARG QG 2.500 . 2.500 2.036 1.987 2.090 . 0 0 "[ . 1 . 2]" 1
594 1 68 ARG QG 1 69 LYS H 3.900 . 3.900 3.612 1.992 4.073 0.173 16 0 "[ . 1 . 2]" 1
595 1 69 LYS H 1 69 LYS HA 3.000 . 3.000 2.868 2.784 2.945 . 0 0 "[ . 1 . 2]" 1
596 1 69 LYS H 1 69 LYS QB 3.000 . 3.000 2.235 2.061 2.575 . 0 0 "[ . 1 . 2]" 1
597 1 69 LYS H 1 70 LEU H 2.800 . 2.800 2.628 2.118 2.830 0.030 16 0 "[ . 1 . 2]" 1
598 1 69 LYS HA 1 69 LYS QB 2.700 . 2.700 2.456 2.141 2.539 . 0 0 "[ . 1 . 2]" 1
599 1 69 LYS HA 1 69 LYS QD 3.100 . 3.100 2.637 1.935 3.164 0.064 13 0 "[ . 1 . 2]" 1
600 1 69 LYS HA 1 69 LYS QG 3.800 . 3.800 2.460 2.019 3.389 . 0 0 "[ . 1 . 2]" 1
601 1 69 LYS HA 1 70 LEU H 4.100 . 4.100 3.568 3.513 3.590 . 0 0 "[ . 1 . 2]" 1
602 1 69 LYS QB 1 70 LEU H 3.800 . 3.800 2.513 2.017 3.308 . 0 0 "[ . 1 . 2]" 1
603 1 70 LEU H 1 70 LEU QB 3.600 . 3.600 2.467 2.286 2.807 . 0 0 "[ . 1 . 2]" 1
604 1 70 LEU H 1 70 LEU QD 3.800 . 3.800 3.171 2.295 3.805 0.005 9 0 "[ . 1 . 2]" 1
605 1 70 LEU H 1 70 LEU HG 4.000 . 4.000 2.636 1.950 3.951 . 0 0 "[ . 1 . 2]" 1
606 1 70 LEU HA 1 70 LEU QD 2.500 . 2.500 2.176 1.911 3.096 0.596 16 1 "[ . 1 .+ 2]" 1
607 1 70 LEU HA 1 70 LEU HG 4.000 . 4.000 3.286 2.892 3.766 . 0 0 "[ . 1 . 2]" 1
608 1 70 LEU QB 1 70 LEU HG 2.500 . 2.500 2.337 2.279 2.396 . 0 0 "[ . 1 . 2]" 1
609 1 70 LEU HG 1 71 ASP H 6.700 . 6.700 5.020 4.269 5.286 . 0 0 "[ . 1 . 2]" 1
610 1 71 ASP H 1 71 ASP QB 3.100 . 3.100 2.681 2.254 3.151 0.051 8 0 "[ . 1 . 2]" 1
611 1 71 ASP H 1 72 ASN H 5.000 . 5.000 4.312 3.216 4.633 . 0 0 "[ . 1 . 2]" 1
612 1 71 ASP H 1 87 VAL QG 4.400 . 4.400 4.228 2.396 4.427 0.027 2 0 "[ . 1 . 2]" 1
613 1 71 ASP HA 1 72 ASN H 3.100 . 3.100 2.252 2.140 3.368 0.268 8 0 "[ . 1 . 2]" 1
614 1 71 ASP HA 1 86 ARG HA 4.400 . 4.400 3.915 3.487 4.407 0.007 9 0 "[ . 1 . 2]" 1
615 1 71 ASP HA 1 87 VAL H 3.400 . 3.400 2.789 2.425 3.405 0.005 9 0 "[ . 1 . 2]" 1
616 1 71 ASP HA 1 87 VAL HB 3.600 . 3.600 2.930 2.261 3.247 . 0 0 "[ . 1 . 2]" 1
617 1 71 ASP HA 1 87 VAL QG 3.200 . 3.200 2.479 1.958 3.179 . 0 0 "[ . 1 . 2]" 1
618 1 71 ASP QB 1 72 ASN H 4.600 . 4.600 3.338 1.968 3.788 . 0 0 "[ . 1 . 2]" 1
619 1 71 ASP QB 1 87 VAL H 4.800 . 4.800 3.849 2.512 4.473 . 0 0 "[ . 1 . 2]" 1
620 1 71 ASP QB 1 87 VAL HB 4.100 . 4.100 3.503 2.332 4.109 0.009 3 0 "[ . 1 . 2]" 1
621 1 71 ASP QB 1 87 VAL QG 4.600 . 4.600 3.743 2.964 4.330 . 0 0 "[ . 1 . 2]" 1
622 1 72 ASN H 1 73 THR H 3.500 . 3.500 2.880 2.595 3.577 0.077 8 0 "[ . 1 . 2]" 1
623 1 72 ASN H 1 86 ARG HA 3.700 . 3.700 2.375 1.963 3.710 0.010 8 0 "[ . 1 . 2]" 1
624 1 72 ASN H 1 86 ARG QD 4.200 . 4.200 3.516 2.179 4.210 0.010 1 0 "[ . 1 . 2]" 1
625 1 72 ASN H 1 87 VAL HB 4.600 . 4.600 4.407 4.009 4.615 0.015 8 0 "[ . 1 . 2]" 1
626 1 72 ASN H 1 87 VAL QG 4.200 . 4.200 3.284 2.897 4.173 . 0 0 "[ . 1 . 2]" 1
627 1 72 ASN QB 1 73 THR H 4.700 . 4.700 3.924 3.743 4.047 . 0 0 "[ . 1 . 2]" 1
628 1 73 THR H 1 73 THR MG 3.300 . 3.300 2.706 1.908 3.298 . 0 0 "[ . 1 . 2]" 1
629 1 73 THR H 1 74 LYS H 4.500 . 4.500 4.482 4.357 4.544 0.044 11 0 "[ . 1 . 2]" 1
630 1 73 THR H 1 85 ILE H 4.900 . 4.900 3.847 3.283 4.490 . 0 0 "[ . 1 . 2]" 1
631 1 73 THR H 1 85 ILE MD 4.600 . 4.600 4.089 3.616 4.602 0.002 5 0 "[ . 1 . 2]" 1
632 1 73 THR H 1 85 ILE QG 4.200 . 4.200 3.041 2.496 3.575 . 0 0 "[ . 1 . 2]" 1
633 1 73 THR H 1 87 VAL QG 4.500 . 4.500 4.026 3.412 4.466 . 0 0 "[ . 1 . 2]" 1
634 1 73 THR HB 1 73 THR MG 2.500 . 2.500 2.099 2.072 2.118 . 0 0 "[ . 1 . 2]" 1
635 1 73 THR HB 1 74 LYS H 3.300 . 3.300 2.437 1.974 3.350 0.050 5 0 "[ . 1 . 2]" 1
636 1 73 THR O 1 85 ILE H 2.000 . 2.300 2.199 1.844 2.313 0.013 10 0 "[ . 1 . 2]" 1
637 1 73 THR O 1 85 ILE N 2.900 2.600 3.200 3.121 2.731 3.213 0.013 6 0 "[ . 1 . 2]" 1
638 1 74 LYS H 1 74 LYS QB 3.300 . 3.300 2.355 2.147 3.024 . 0 0 "[ . 1 . 2]" 1
639 1 74 LYS H 1 74 LYS QD 4.900 . 4.900 4.346 2.356 4.882 . 0 0 "[ . 1 . 2]" 1
640 1 74 LYS H 1 74 LYS QG 4.900 . 4.900 3.656 1.946 4.045 . 0 0 "[ . 1 . 2]" 1
641 1 74 LYS HA 1 74 LYS QD 4.700 . 4.700 3.468 1.968 4.249 . 0 0 "[ . 1 . 2]" 1
642 1 74 LYS HA 1 74 LYS QG 3.700 . 3.700 2.579 2.038 3.424 . 0 0 "[ . 1 . 2]" 1
643 1 74 LYS HA 1 75 PHE H 2.500 . 2.500 2.177 2.137 2.233 . 0 0 "[ . 1 . 2]" 1
644 1 74 LYS HA 1 75 PHE QB 4.900 . 4.900 4.074 3.989 4.188 . 0 0 "[ . 1 . 2]" 1
645 1 74 LYS HA 1 83 ALA H 4.400 . 4.400 4.134 3.815 4.401 0.001 3 0 "[ . 1 . 2]" 1
646 1 74 LYS HA 1 84 TYR HA 3.200 . 3.200 2.535 2.115 2.900 . 0 0 "[ . 1 . 2]" 1
647 1 74 LYS HA 1 85 ILE H 4.700 . 4.700 3.473 2.223 4.082 . 0 0 "[ . 1 . 2]" 1
648 1 74 LYS QB 1 74 LYS QD 2.900 . 2.900 2.077 1.946 2.398 . 0 0 "[ . 1 . 2]" 1
649 1 74 LYS QB 1 74 LYS QE 3.500 . 3.500 3.222 2.181 3.501 0.001 19 0 "[ . 1 . 2]" 1
650 1 74 LYS QB 1 75 PHE H 4.700 . 4.700 3.646 2.811 4.011 . 0 0 "[ . 1 . 2]" 1
651 1 74 LYS QB 1 84 TYR QE 4.200 . 4.200 3.567 2.283 4.202 0.002 13 0 "[ . 1 . 2]" 1
652 1 74 LYS QD 1 74 LYS QE 2.500 . 2.500 2.007 1.964 2.066 . 0 0 "[ . 1 . 2]" 1
653 1 74 LYS QD 1 75 PHE H 5.000 . 5.000 4.269 2.782 5.010 0.010 11 0 "[ . 1 . 2]" 1
654 1 74 LYS QD 1 82 THR HB 4.100 . 4.100 3.030 2.047 3.957 . 0 0 "[ . 1 . 2]" 1
655 1 74 LYS QD 1 82 THR MG 3.300 . 3.300 2.650 1.802 3.305 0.005 7 0 "[ . 1 . 2]" 1
656 1 74 LYS QE 1 82 THR HB 4.000 . 4.000 2.908 1.858 4.009 0.009 10 0 "[ . 1 . 2]" 1
657 1 74 LYS QE 1 82 THR MG 2.800 . 2.800 2.453 1.939 2.806 0.006 17 0 "[ . 1 . 2]" 1
658 1 74 LYS QG 1 75 PHE H 4.600 . 4.600 3.241 2.075 4.588 . 0 0 "[ . 1 . 2]" 1
659 1 74 LYS QG 1 82 THR HB 4.500 . 4.500 3.422 2.484 4.511 0.011 9 0 "[ . 1 . 2]" 1
660 1 74 LYS QG 1 82 THR MG 4.100 . 4.100 2.814 2.029 3.730 . 0 0 "[ . 1 . 2]" 1
661 1 74 LYS QG 1 83 ALA H 4.800 . 4.800 3.405 2.668 4.799 . 0 0 "[ . 1 . 2]" 1
662 1 75 PHE H 1 75 PHE QD 4.800 . 4.800 4.158 3.621 4.311 . 0 0 "[ . 1 . 2]" 1
663 1 75 PHE H 1 83 ALA H 4.100 . 4.100 3.002 2.464 3.670 . 0 0 "[ . 1 . 2]" 1
664 1 75 PHE H 1 83 ALA MB 5.100 . 5.100 4.044 3.535 4.364 . 0 0 "[ . 1 . 2]" 1
665 1 75 PHE H 1 83 ALA O 2.000 . 2.300 1.834 1.689 2.210 0.011 18 0 "[ . 1 . 2]" 1
666 1 75 PHE H 1 84 TYR HA 4.000 . 4.000 3.242 2.795 3.789 . 0 0 "[ . 1 . 2]" 1
667 1 75 PHE H 1 85 ILE H 5.100 . 5.100 3.582 3.006 4.442 . 0 0 "[ . 1 . 2]" 1
668 1 75 PHE H 1 85 ILE MG 4.100 . 4.100 3.602 2.782 4.103 0.003 3 0 "[ . 1 . 2]" 1
669 1 75 PHE HA 1 75 PHE QD 3.700 . 3.700 2.536 2.165 3.111 . 0 0 "[ . 1 . 2]" 1
670 1 75 PHE HA 1 76 ARG H 2.500 . 2.500 2.249 2.140 2.380 . 0 0 "[ . 1 . 2]" 1
671 1 75 PHE QB 1 76 ARG H 5.200 . 5.200 3.560 3.247 3.877 . 0 0 "[ . 1 . 2]" 1
672 1 75 PHE QB 1 83 ALA H 4.900 . 4.900 3.531 2.820 4.450 . 0 0 "[ . 1 . 2]" 1
673 1 75 PHE QB 1 83 ALA MB 4.900 . 4.900 3.295 2.589 4.601 . 0 0 "[ . 1 . 2]" 1
674 1 75 PHE QB 1 85 ILE MD 4.600 . 4.600 2.401 1.897 3.157 . 0 0 "[ . 1 . 2]" 1
675 1 75 PHE QB 1 85 ILE MG 3.800 . 3.800 2.201 1.824 3.202 . 0 0 "[ . 1 . 2]" 1
676 1 75 PHE QD 1 76 ARG H 4.300 . 4.300 2.754 2.025 3.762 . 0 0 "[ . 1 . 2]" 1
677 1 75 PHE QD 1 77 SER H 4.900 . 4.900 4.426 3.718 4.907 0.007 6 0 "[ . 1 . 2]" 1
678 1 75 PHE QD 1 83 ALA H 4.600 . 4.600 4.370 3.812 4.603 0.003 2 0 "[ . 1 . 2]" 1
679 1 75 PHE QD 1 83 ALA MB 4.400 . 4.400 3.257 2.582 3.834 . 0 0 "[ . 1 . 2]" 1
680 1 75 PHE QD 1 85 ILE MD 4.000 . 4.000 3.307 2.302 3.950 . 0 0 "[ . 1 . 2]" 1
681 1 75 PHE QD 1 85 ILE MG 3.700 . 3.700 3.158 2.427 3.615 . 0 0 "[ . 1 . 2]" 1
682 1 75 PHE HZ 1 77 SER QB 4.400 . 4.400 3.943 2.868 4.407 0.007 17 0 "[ . 1 . 2]" 1
683 1 75 PHE N 1 83 ALA O 2.900 2.600 3.200 2.707 2.591 3.106 0.009 20 0 "[ . 1 . 2]" 1
684 1 75 PHE O 1 83 ALA H 2.000 . 2.300 2.104 1.752 2.309 0.009 12 0 "[ . 1 . 2]" 1
685 1 75 PHE O 1 83 ALA N 2.900 2.600 3.200 2.936 2.594 3.174 0.006 6 0 "[ . 1 . 2]" 1
686 1 76 ARG H 1 76 ARG QD 4.700 . 4.700 4.338 2.348 4.701 0.001 14 0 "[ . 1 . 2]" 1
687 1 76 ARG H 1 77 SER H 4.800 . 4.800 4.215 4.047 4.400 . 0 0 "[ . 1 . 2]" 1
688 1 76 ARG H 1 77 SER HA 4.800 . 4.800 4.769 4.593 4.827 0.027 7 0 "[ . 1 . 2]" 1
689 1 76 ARG HA 1 76 ARG QD 4.200 . 4.200 3.698 2.548 4.214 0.014 16 0 "[ . 1 . 2]" 1
690 1 76 ARG HA 1 76 ARG QG 3.400 . 3.400 2.552 2.055 3.409 0.009 4 0 "[ . 1 . 2]" 1
691 1 76 ARG HA 1 77 SER H 2.600 . 2.600 2.165 2.133 2.266 . 0 0 "[ . 1 . 2]" 1
692 1 76 ARG HA 1 82 THR HA 3.300 . 3.300 2.389 1.973 2.921 . 0 0 "[ . 1 . 2]" 1
693 1 76 ARG HA 1 82 THR MG 2.900 . 2.900 2.635 2.195 2.910 0.010 6 0 "[ . 1 . 2]" 1
694 1 76 ARG QB 1 77 SER H 4.900 . 4.900 3.651 2.765 3.974 . 0 0 "[ . 1 . 2]" 1
695 1 76 ARG QB 1 82 THR MG 3.400 . 3.400 2.578 1.849 3.401 0.001 17 0 "[ . 1 . 2]" 1
696 1 76 ARG QG 1 77 SER H 4.500 . 4.500 3.266 2.645 4.006 . 0 0 "[ . 1 . 2]" 1
697 1 76 ARG QG 1 80 GLY H 5.300 . 5.300 4.551 3.460 5.321 0.021 6 0 "[ . 1 . 2]" 1
698 1 77 SER H 1 80 GLY H 5.200 . 5.200 4.179 3.432 5.183 . 0 0 "[ . 1 . 2]" 1
699 1 77 SER H 1 81 GLU H 3.900 . 3.900 3.259 2.615 3.905 0.005 3 0 "[ . 1 . 2]" 1
700 1 77 SER H 1 81 GLU O 2.000 . 2.300 2.025 1.696 2.302 0.004 13 0 "[ . 1 . 2]" 1
701 1 77 SER H 1 82 THR HA 4.900 . 4.900 3.422 2.958 3.924 . 0 0 "[ . 1 . 2]" 1
702 1 77 SER HA 1 78 HIS H 3.300 . 3.300 2.317 2.188 2.473 . 0 0 "[ . 1 . 2]" 1
703 1 77 SER HA 1 79 GLU H 3.900 . 3.900 3.912 3.757 3.983 0.083 16 0 "[ . 1 . 2]" 1
704 1 77 SER QB 1 78 HIS H 5.100 . 5.100 2.882 2.244 3.546 . 0 0 "[ . 1 . 2]" 1
705 1 77 SER QB 1 79 GLU H 5.000 . 5.000 2.658 2.136 3.331 . 0 0 "[ . 1 . 2]" 1
706 1 77 SER N 1 81 GLU O 2.900 2.600 3.200 2.943 2.597 3.204 0.004 5 0 "[ . 1 . 2]" 1
707 1 78 HIS H 1 79 GLU H 4.500 . 4.500 2.676 2.590 2.735 . 0 0 "[ . 1 . 2]" 1
708 1 78 HIS HA 1 78 HIS QB 2.500 . 2.500 2.221 2.173 2.426 . 0 0 "[ . 1 . 2]" 1
709 1 78 HIS HD2 1 79 GLU QG 5.000 . 5.000 3.928 1.840 5.008 0.008 15 0 "[ . 1 . 2]" 1
710 1 79 GLU H 1 79 GLU QG 4.300 . 4.300 3.240 1.982 4.086 . 0 0 "[ . 1 . 2]" 1
711 1 79 GLU H 1 80 GLY H 3.000 . 3.000 2.545 2.266 2.735 . 0 0 "[ . 1 . 2]" 1
712 1 79 GLU H 1 80 GLY QA 5.600 . 5.600 4.448 4.263 4.530 . 0 0 "[ . 1 . 2]" 1
713 1 79 GLU HA 1 79 GLU QG 3.000 . 3.000 2.428 2.025 2.950 . 0 0 "[ . 1 . 2]" 1
714 1 79 GLU HA 1 80 GLY H 3.500 . 3.500 3.352 3.036 3.458 . 0 0 "[ . 1 . 2]" 1
715 1 79 GLU QB 1 80 GLY H 5.000 . 5.000 3.188 2.963 3.704 . 0 0 "[ . 1 . 2]" 1
716 1 79 GLU QB 1 81 GLU H 5.200 . 5.200 3.304 2.670 3.616 . 0 0 "[ . 1 . 2]" 1
717 1 79 GLU QG 1 80 GLY H 5.200 . 5.200 4.466 3.951 4.958 . 0 0 "[ . 1 . 2]" 1
718 1 80 GLY H 1 81 GLU H 2.600 . 2.600 2.269 2.065 2.609 0.009 20 0 "[ . 1 . 2]" 1
719 1 80 GLY QA 1 81 GLU H 5.200 . 5.200 2.830 2.794 2.925 . 0 0 "[ . 1 . 2]" 1
720 1 81 GLU H 1 81 GLU QG 4.600 . 4.600 3.714 1.978 4.307 . 0 0 "[ . 1 . 2]" 1
721 1 81 GLU H 1 82 THR H 5.200 . 5.200 4.378 4.051 4.632 . 0 0 "[ . 1 . 2]" 1
722 1 81 GLU HA 1 81 GLU QG 3.100 . 3.100 2.385 2.010 2.924 . 0 0 "[ . 1 . 2]" 1
723 1 81 GLU HA 1 82 THR H 2.500 . 2.500 2.194 2.142 2.366 . 0 0 "[ . 1 . 2]" 1
724 1 81 GLU QB 1 82 THR H 4.300 . 4.300 3.440 2.712 3.822 . 0 0 "[ . 1 . 2]" 1
725 1 81 GLU QG 1 82 THR H 4.600 . 4.600 3.351 2.006 4.460 . 0 0 "[ . 1 . 2]" 1
726 1 82 THR H 1 82 THR HB 3.600 . 3.600 3.453 3.376 3.552 . 0 0 "[ . 1 . 2]" 1
727 1 82 THR H 1 83 ALA H 4.700 . 4.700 4.542 4.460 4.600 . 0 0 "[ . 1 . 2]" 1
728 1 82 THR H 1 83 ALA MB 5.300 . 5.300 4.693 4.424 4.893 . 0 0 "[ . 1 . 2]" 1
729 1 82 THR HA 1 82 THR HB 2.700 . 2.700 2.730 2.718 2.757 0.057 10 0 "[ . 1 . 2]" 1
730 1 82 THR HA 1 82 THR MG 2.500 . 2.500 2.174 2.010 2.232 . 0 0 "[ . 1 . 2]" 1
731 1 82 THR HA 1 83 ALA H 2.500 . 2.500 2.334 2.227 2.375 . 0 0 "[ . 1 . 2]" 1
732 1 82 THR HA 1 83 ALA MB 4.200 . 4.200 3.790 3.724 3.848 . 0 0 "[ . 1 . 2]" 1
733 1 82 THR HB 1 82 THR MG 2.500 . 2.500 2.109 2.076 2.117 . 0 0 "[ . 1 . 2]" 1
734 1 82 THR HB 1 83 ALA MB 5.000 . 5.000 4.526 4.495 4.569 . 0 0 "[ . 1 . 2]" 1
735 1 82 THR MG 1 83 ALA H 3.000 . 3.000 3.013 3.007 3.026 0.026 11 0 "[ . 1 . 2]" 1
736 1 83 ALA H 1 83 ALA HA 3.100 . 3.100 2.851 2.836 2.877 . 0 0 "[ . 1 . 2]" 1
737 1 83 ALA H 1 83 ALA MB 2.800 . 2.800 2.804 2.784 2.818 0.018 5 0 "[ . 1 . 2]" 1
738 1 83 ALA H 1 85 ILE MG 5.100 . 5.100 4.854 4.388 5.107 0.007 12 0 "[ . 1 . 2]" 1
739 1 83 ALA HA 1 83 ALA MB 2.500 . 2.500 2.108 2.088 2.128 . 0 0 "[ . 1 . 2]" 1
740 1 83 ALA HA 1 84 TYR H 2.500 . 2.500 2.347 2.159 2.494 . 0 0 "[ . 1 . 2]" 1
741 1 84 TYR H 1 84 TYR QB 3.400 . 3.400 2.319 2.066 2.776 . 0 0 "[ . 1 . 2]" 1
742 1 84 TYR H 1 84 TYR QD 3.500 . 3.500 2.902 2.025 3.469 . 0 0 "[ . 1 . 2]" 1
743 1 84 TYR H 1 85 ILE H 4.900 . 4.900 4.420 4.266 4.596 . 0 0 "[ . 1 . 2]" 1
744 1 84 TYR H 1 85 ILE MG 4.400 . 4.400 4.361 4.084 4.417 0.017 10 0 "[ . 1 . 2]" 1
745 1 84 TYR HA 1 84 TYR QD 4.200 . 4.200 2.812 2.175 3.135 . 0 0 "[ . 1 . 2]" 1
746 1 84 TYR HA 1 85 ILE H 2.500 . 2.500 2.157 2.142 2.251 . 0 0 "[ . 1 . 2]" 1
747 1 84 TYR HA 1 85 ILE MG 4.600 . 4.600 3.849 3.660 4.069 . 0 0 "[ . 1 . 2]" 1
748 1 84 TYR QB 1 85 ILE H 5.200 . 5.200 3.373 2.885 3.576 . 0 0 "[ . 1 . 2]" 1
749 1 85 ILE H 1 85 ILE MD 4.300 . 4.300 3.830 3.736 3.955 . 0 0 "[ . 1 . 2]" 1
750 1 85 ILE H 1 85 ILE QG 3.400 . 3.400 2.147 2.032 2.273 . 0 0 "[ . 1 . 2]" 1
751 1 85 ILE H 1 85 ILE MG 3.100 . 3.100 2.868 2.529 3.102 0.002 12 0 "[ . 1 . 2]" 1
752 1 85 ILE HA 1 85 ILE MD 4.200 . 4.200 4.134 4.092 4.172 . 0 0 "[ . 1 . 2]" 1
753 1 85 ILE HA 1 85 ILE MG 2.500 . 2.500 2.311 2.185 2.379 . 0 0 "[ . 1 . 2]" 1
754 1 85 ILE HA 1 86 ARG H 2.800 . 2.800 2.273 2.175 2.436 . 0 0 "[ . 1 . 2]" 1
755 1 85 ILE HB 1 85 ILE MD 3.300 . 3.300 2.246 2.105 2.414 . 0 0 "[ . 1 . 2]" 1
756 1 85 ILE HB 1 86 ARG H 3.200 . 3.200 2.728 2.288 3.052 . 0 0 "[ . 1 . 2]" 1
757 1 85 ILE MD 1 85 ILE MG 2.500 . 2.500 2.278 1.871 2.501 0.001 13 0 "[ . 1 . 2]" 1
758 1 85 ILE MD 1 86 ARG H 4.800 . 4.800 4.313 3.810 4.741 . 0 0 "[ . 1 . 2]" 1
759 1 85 ILE MG 1 86 ARG H 3.700 . 3.700 3.693 3.606 3.715 0.015 13 0 "[ . 1 . 2]" 1
760 1 86 ARG H 1 86 ARG QB 3.600 . 3.600 2.502 2.322 2.908 . 0 0 "[ . 1 . 2]" 1
761 1 86 ARG H 1 87 VAL H 5.100 . 5.100 4.334 3.999 4.539 . 0 0 "[ . 1 . 2]" 1
762 1 86 ARG HA 1 86 ARG QD 4.200 . 4.200 2.760 1.980 3.916 . 0 0 "[ . 1 . 2]" 1
763 1 86 ARG HA 1 87 VAL H 2.500 . 2.500 2.179 2.137 2.329 . 0 0 "[ . 1 . 2]" 1
764 1 86 ARG HA 1 87 VAL QG 4.200 . 4.200 3.421 3.207 3.593 . 0 0 "[ . 1 . 2]" 1
765 1 86 ARG QD 1 87 VAL H 4.600 . 4.600 3.642 1.974 4.599 . 0 0 "[ . 1 . 2]" 1
766 1 87 VAL H 1 87 VAL HB 2.800 . 2.800 2.726 2.635 2.814 0.014 16 0 "[ . 1 . 2]" 1
767 1 87 VAL H 1 87 VAL QG 3.500 . 3.500 2.348 2.094 2.692 . 0 0 "[ . 1 . 2]" 1
768 1 87 VAL H 1 88 LYS H 4.900 . 4.900 4.518 4.391 4.592 . 0 0 "[ . 1 . 2]" 1
769 1 87 VAL QG 1 88 LYS H 3.400 . 3.400 2.060 1.943 2.523 . 0 0 "[ . 1 . 2]" 1
770 1 88 LYS H 1 88 LYS QB 3.800 . 3.800 2.985 2.677 3.451 . 0 0 "[ . 1 . 2]" 1
771 1 88 LYS H 1 88 LYS QG 4.200 . 4.200 3.181 2.379 4.088 . 0 0 "[ . 1 . 2]" 1
772 1 88 LYS H 1 89 VAL H 4.500 . 4.500 4.289 4.192 4.385 . 0 0 "[ . 1 . 2]" 1
773 1 88 LYS HA 1 88 LYS QB 2.500 . 2.500 2.335 2.155 2.530 0.030 15 0 "[ . 1 . 2]" 1
774 1 88 LYS QB 1 89 VAL H 2.900 . 2.900 2.811 2.379 2.946 0.046 7 0 "[ . 1 . 2]" 1
775 1 88 LYS QG 1 89 VAL H 4.600 . 4.600 3.931 3.129 4.402 . 0 0 "[ . 1 . 2]" 1
776 1 89 VAL H 1 89 VAL HB 3.000 . 3.000 2.629 2.559 2.730 . 0 0 "[ . 1 . 2]" 1
777 1 89 VAL H 1 89 VAL QG 2.500 . 2.500 2.045 1.938 2.240 . 0 0 "[ . 1 . 2]" 1
778 1 89 VAL H 1 90 ASP H 4.400 . 4.400 4.436 4.379 4.533 0.133 13 0 "[ . 1 . 2]" 1
779 1 89 VAL HA 1 90 ASP H 2.500 . 2.500 2.129 2.104 2.166 . 0 0 "[ . 1 . 2]" 1
780 1 90 ASP H 1 90 ASP QB 3.000 . 3.000 2.282 2.109 2.481 . 0 0 "[ . 1 . 2]" 1
781 1 90 ASP H 1 91 GLY H 5.000 . 5.000 3.742 2.469 4.656 . 0 0 "[ . 1 . 2]" 1
782 1 90 ASP QB 1 91 GLY H 4.600 . 4.600 3.317 1.853 4.016 . 0 0 "[ . 1 . 2]" 1
783 1 91 GLY H 1 91 GLY QA 2.500 . 2.500 2.342 2.191 2.502 0.002 6 0 "[ . 1 . 2]" 1
784 1 93 ARG H 1 93 ARG HA 3.000 . 3.000 2.769 2.271 2.947 . 0 0 "[ . 1 . 2]" 1
785 1 93 ARG H 1 93 ARG QG 3.900 . 3.900 3.322 1.949 3.981 0.081 7 0 "[ . 1 . 2]" 1
786 1 93 ARG HA 1 94 SER H 3.200 . 3.200 2.629 2.139 3.415 0.215 9 0 "[ . 1 . 2]" 1
787 1 94 SER H 1 94 SER QB 3.900 . 3.900 2.730 2.136 3.406 . 0 0 "[ . 1 . 2]" 1
788 1 96 SER HA 1 96 SER QB 2.700 . 2.700 2.320 2.162 2.512 . 0 0 "[ . 1 . 2]" 1
789 1 96 SER HA 1 97 TYR H 3.800 . 3.800 2.867 2.138 3.572 . 0 0 "[ . 1 . 2]" 1
790 1 97 TYR H 1 97 TYR QB 3.700 . 3.700 2.848 2.205 3.381 . 0 0 "[ . 1 . 2]" 1
791 1 97 TYR HA 1 98 GLY H 4.400 . 4.400 2.806 2.139 3.578 . 0 0 "[ . 1 . 2]" 1
792 1 99 ARG HA 1 100 SER H 3.600 . 3.600 2.923 2.139 3.561 . 0 0 "[ . 1 . 2]" 1
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 4:49:03 AM GMT (wattos1)