NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
588656 |
2mtp   |
25176 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mtp
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 786
_Distance_constraint_stats_list.Viol_count 2513
_Distance_constraint_stats_list.Viol_total 4706.410
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0447
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0936
_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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLY 1.578 0.178 16 0 "[ . 1 . 2]"
1 3 ALA 3.532 0.152 16 0 "[ . 1 . 2]"
1 4 HIS 6.513 0.273 3 0 "[ . 1 . 2]"
1 5 LYS 4.007 0.178 16 0 "[ . 1 . 2]"
1 6 VAL 11.639 0.298 16 0 "[ . 1 . 2]"
1 7 ARG 4.893 0.219 14 0 "[ . 1 . 2]"
1 8 ALA 2.727 0.152 20 0 "[ . 1 . 2]"
1 9 GLY 3.821 0.176 15 0 "[ . 1 . 2]"
1 10 GLY 6.004 0.228 1 0 "[ . 1 . 2]"
1 11 PRO 3.767 0.175 16 0 "[ . 1 . 2]"
1 12 GLY 1.126 0.168 13 0 "[ . 1 . 2]"
1 13 LEU 2.998 0.201 8 0 "[ . 1 . 2]"
1 14 GLU 3.454 0.257 15 0 "[ . 1 . 2]"
1 15 ARG 6.137 0.220 13 0 "[ . 1 . 2]"
1 16 ALA 10.562 0.278 8 0 "[ . 1 . 2]"
1 17 GLU 10.409 0.251 15 0 "[ . 1 . 2]"
1 18 ALA 12.822 0.337 14 0 "[ . 1 . 2]"
1 19 GLY 7.444 0.339 7 0 "[ . 1 . 2]"
1 20 VAL 6.693 0.137 13 0 "[ . 1 . 2]"
1 21 PRO 5.000 0.165 20 0 "[ . 1 . 2]"
1 22 ALA 5.081 0.226 6 0 "[ . 1 . 2]"
1 23 GLU 11.619 0.260 20 0 "[ . 1 . 2]"
1 24 PHE 5.383 0.245 17 0 "[ . 1 . 2]"
1 25 SER 8.860 0.245 17 0 "[ . 1 . 2]"
1 26 ILE 8.897 0.298 16 0 "[ . 1 . 2]"
1 27 TRP 0.151 0.102 16 0 "[ . 1 . 2]"
1 28 THR 3.086 0.137 18 0 "[ . 1 . 2]"
1 29 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLU 0.004 0.003 10 0 "[ . 1 . 2]"
1 31 ALA 0.671 0.071 8 0 "[ . 1 . 2]"
1 32 GLY 0.095 0.044 18 0 "[ . 1 . 2]"
1 33 ALA 0.095 0.044 18 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.149 0.106 20 0 "[ . 1 . 2]"
1 36 LEU 0.195 0.106 20 0 "[ . 1 . 2]"
1 37 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ILE 4.894 0.310 5 0 "[ . 1 . 2]"
1 39 ALA 4.207 0.310 5 0 "[ . 1 . 2]"
1 40 VAL 6.276 0.315 20 0 "[ . 1 . 2]"
1 41 GLU 8.453 0.491 15 0 "[ . 1 . 2]"
1 42 GLY 13.473 0.491 15 0 "[ . 1 . 2]"
1 43 PRO 0.902 0.175 7 0 "[ . 1 . 2]"
1 44 SER 9.959 0.262 10 0 "[ . 1 . 2]"
1 45 LYS 7.502 0.262 10 0 "[ . 1 . 2]"
1 46 ALA 4.233 0.271 4 0 "[ . 1 . 2]"
1 47 GLU 1.683 0.114 10 0 "[ . 1 . 2]"
1 48 ILE 0.433 0.086 18 0 "[ . 1 . 2]"
1 49 SER 0.144 0.056 14 0 "[ . 1 . 2]"
1 50 PHE 0.144 0.056 14 0 "[ . 1 . 2]"
1 51 GLU 1.055 0.180 8 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ARG 0.247 0.039 10 0 "[ . 1 . 2]"
1 54 LYS 0.128 0.100 18 0 "[ . 1 . 2]"
1 55 ASP 0.120 0.100 18 0 "[ . 1 . 2]"
1 56 GLY 0.274 0.039 10 0 "[ . 1 . 2]"
1 57 SER 0.013 0.006 3 0 "[ . 1 . 2]"
1 58 CYS 0.589 0.085 2 0 "[ . 1 . 2]"
1 59 GLY 3.891 0.171 3 0 "[ . 1 . 2]"
1 60 VAL 0.048 0.017 16 0 "[ . 1 . 2]"
1 61 ALA 1.061 0.119 9 0 "[ . 1 . 2]"
1 62 TYR 3.731 0.260 20 0 "[ . 1 . 2]"
1 63 VAL 5.007 0.165 20 0 "[ . 1 . 2]"
1 64 VAL 14.264 0.271 4 0 "[ . 1 . 2]"
1 65 GLN 13.284 0.271 18 0 "[ . 1 . 2]"
1 66 GLU 23.266 0.337 14 0 "[ . 1 . 2]"
1 67 PRO 3.340 0.208 14 0 "[ . 1 . 2]"
1 68 GLY 8.663 0.203 4 0 "[ . 1 . 2]"
1 69 ASP 5.686 0.301 20 0 "[ . 1 . 2]"
1 70 TYR 11.350 0.291 12 0 "[ . 1 . 2]"
1 71 GLU 6.016 0.276 10 0 "[ . 1 . 2]"
1 72 VAL 12.926 0.302 20 0 "[ . 1 . 2]"
1 73 SER 6.942 0.245 11 0 "[ . 1 . 2]"
1 74 VAL 2.597 0.186 10 0 "[ . 1 . 2]"
1 75 LYS 8.023 0.372 13 0 "[ . 1 . 2]"
1 76 PHE 2.995 0.265 14 0 "[ . 1 . 2]"
1 77 ASN 0.389 0.064 19 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 9.190 0.215 5 0 "[ . 1 . 2]"
1 80 HIS 9.277 0.345 16 0 "[ . 1 . 2]"
1 81 ILE 2.834 0.107 13 0 "[ . 1 . 2]"
1 82 PRO 0.351 0.063 12 0 "[ . 1 . 2]"
1 83 ASP 0.099 0.030 20 0 "[ . 1 . 2]"
1 84 SER 1.780 0.164 2 0 "[ . 1 . 2]"
1 85 PRO 0.626 0.112 13 0 "[ . 1 . 2]"
1 86 PHE 0.279 0.090 10 0 "[ . 1 . 2]"
1 87 VAL 0.076 0.017 8 0 "[ . 1 . 2]"
1 88 VAL 3.667 0.257 15 0 "[ . 1 . 2]"
1 89 PRO 1.952 0.161 1 0 "[ . 1 . 2]"
1 90 VAL 25.203 0.339 7 0 "[ . 1 . 2]"
1 91 ALA 5.779 0.278 8 0 "[ . 1 . 2]"
1 92 SER 1.381 0.093 1 0 "[ . 1 . 2]"
1 93 PRO 6.350 0.199 5 0 "[ . 1 . 2]"
1 94 SER 1.821 0.114 5 0 "[ . 1 . 2]"
1 95 GLY 6.762 0.199 5 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 1 GLY HA3 1 2 GLY HA3 4.000 . 6.000 4.474 4.378 4.540 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY HA3 1 2 GLY H 2.500 . 2.900 2.283 2.187 2.503 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY H 1 3 ALA H 4.000 . 6.000 2.287 1.759 3.023 0.041 20 0 "[ . 1 . 2]" 1
4 1 2 GLY HA2 1 5 LYS H 4.000 . 6.000 2.708 2.547 3.603 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLY HA3 1 5 LYS HB3 4.000 . 5.000 5.075 4.997 5.178 0.178 16 0 "[ . 1 . 2]" 1
6 1 3 ALA H 1 3 ALA MB 2.500 . 3.400 2.239 2.200 2.259 . 0 0 "[ . 1 . 2]" 1
7 1 3 ALA H 1 4 HIS H 4.000 . 6.000 2.749 2.723 2.801 . 0 0 "[ . 1 . 2]" 1
8 1 3 ALA H 1 4 HIS HA 4.000 . 5.300 5.395 5.380 5.452 0.152 16 0 "[ . 1 . 2]" 1
9 1 3 ALA HA 1 4 HIS H 4.000 . 6.000 3.399 3.388 3.421 . 0 0 "[ . 1 . 2]" 1
10 1 3 ALA MB 1 4 HIS H 4.000 . 5.500 3.015 2.946 3.049 . 0 0 "[ . 1 . 2]" 1
11 1 3 ALA MB 1 4 HIS HA 4.000 . 6.000 4.009 3.956 4.031 . 0 0 "[ . 1 . 2]" 1
12 1 3 ALA MB 1 5 LYS HG3 4.000 . 6.100 6.131 6.099 6.155 0.055 1 0 "[ . 1 . 2]" 1
13 1 3 ALA HA 1 6 VAL H 4.000 . 6.000 4.127 4.021 4.269 . 0 0 "[ . 1 . 2]" 1
14 1 3 ALA HA 1 76 PHE HB3 2.500 . 3.000 2.746 2.404 3.025 0.025 14 0 "[ . 1 . 2]" 1
15 1 3 ALA MB 1 76 PHE H 3.000 . 4.000 3.958 3.784 4.051 0.051 17 0 "[ . 1 . 2]" 1
16 1 3 ALA MB 1 79 GLU H 4.000 . 5.000 4.236 3.665 4.798 . 0 0 "[ . 1 . 2]" 1
17 1 3 ALA MB 1 79 GLU HG2 4.000 . 5.000 4.362 4.005 4.988 . 0 0 "[ . 1 . 2]" 1
18 1 3 ALA MB 1 79 GLU HB2 2.500 . 3.000 2.376 2.149 2.981 . 0 0 "[ . 1 . 2]" 1
19 1 3 ALA MB 1 79 GLU HG3 4.000 . 5.000 4.249 3.958 4.873 . 0 0 "[ . 1 . 2]" 1
20 1 3 ALA HA 1 76 PHE QD 3.000 . 4.000 2.915 2.337 3.625 . 0 0 "[ . 1 . 2]" 1
21 1 3 ALA H 1 76 PHE QD 3.000 . 4.000 3.049 2.424 3.759 . 0 0 "[ . 1 . 2]" 1
22 1 3 ALA MB 1 76 PHE QD 3.000 . 4.000 2.368 2.272 2.712 . 0 0 "[ . 1 . 2]" 1
23 1 3 ALA MB 1 81 ILE HA 2.500 . 3.000 3.028 2.924 3.072 0.072 16 0 "[ . 1 . 2]" 1
24 1 4 HIS H 1 4 HIS HB3 2.500 . 3.500 3.081 2.453 3.665 0.165 13 0 "[ . 1 . 2]" 1
25 1 4 HIS H 1 4 HIS HB2 4.000 . 6.000 3.006 2.320 3.674 . 0 0 "[ . 1 . 2]" 1
26 1 4 HIS H 1 5 LYS HA 4.000 . 6.000 4.937 4.866 5.111 . 0 0 "[ . 1 . 2]" 1
27 1 4 HIS HA 1 5 LYS H 4.000 . 6.000 3.532 3.495 3.567 . 0 0 "[ . 1 . 2]" 1
28 1 4 HIS H 1 5 LYS H 4.000 . 5.000 2.183 2.087 2.410 . 0 0 "[ . 1 . 2]" 1
29 1 4 HIS HA 1 6 VAL H 4.000 . 6.000 3.305 3.203 3.412 . 0 0 "[ . 1 . 2]" 1
30 1 4 HIS H 1 6 VAL HA 4.000 . 5.700 5.898 5.788 5.973 0.273 3 0 "[ . 1 . 2]" 1
31 1 4 HIS HB3 1 5 LYS H 4.000 . 5.000 3.460 2.514 4.123 . 0 0 "[ . 1 . 2]" 1
32 1 5 LYS HA 1 5 LYS HE3 4.000 . 6.000 5.340 3.818 6.048 0.048 12 0 "[ . 1 . 2]" 1
33 1 5 LYS H 1 5 LYS HB2 3.000 . 3.500 2.553 2.446 2.736 . 0 0 "[ . 1 . 2]" 1
34 1 5 LYS HB2 1 5 LYS HE3 4.000 . 6.000 4.075 2.342 4.953 . 0 0 "[ . 1 . 2]" 1
35 1 5 LYS HB2 1 6 VAL H 4.000 . 6.000 3.831 3.696 3.892 . 0 0 "[ . 1 . 2]" 1
36 1 5 LYS HA 1 6 VAL H 3.000 . 3.500 3.104 3.067 3.177 . 0 0 "[ . 1 . 2]" 1
37 1 5 LYS H 1 6 VAL MG2 4.000 . 5.500 5.527 5.169 5.602 0.102 15 0 "[ . 1 . 2]" 1
38 1 5 LYS H 1 6 VAL HA 4.000 . 5.000 4.876 4.814 4.917 . 0 0 "[ . 1 . 2]" 1
39 1 5 LYS HB2 1 6 VAL MG1 4.000 . 6.500 5.710 5.556 6.062 . 0 0 "[ . 1 . 2]" 1
40 1 5 LYS HA 1 6 VAL HB 4.000 . 6.000 5.389 5.249 5.472 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS H 1 6 VAL H 2.500 . 2.900 2.754 2.652 2.828 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS H 1 6 VAL HB 4.000 . 5.000 4.410 4.371 4.447 . 0 0 "[ . 1 . 2]" 1
43 1 5 LYS HE3 1 31 ALA HA 4.000 . 5.000 4.177 2.379 5.060 0.060 1 0 "[ . 1 . 2]" 1
44 1 5 LYS H 1 31 ALA HA 4.000 . 5.700 5.705 5.485 5.771 0.071 8 0 "[ . 1 . 2]" 1
45 1 6 VAL H 1 6 VAL MG1 3.000 . 4.000 2.470 2.308 2.994 . 0 0 "[ . 1 . 2]" 1
46 1 6 VAL H 1 6 VAL HB 2.500 . 2.900 2.353 2.189 2.438 . 0 0 "[ . 1 . 2]" 1
47 1 6 VAL HA 1 6 VAL MG2 3.000 . 3.800 2.271 2.170 2.308 . 0 0 "[ . 1 . 2]" 1
48 1 6 VAL H 1 6 VAL MG2 4.000 . 6.000 3.729 3.590 3.769 . 0 0 "[ . 1 . 2]" 1
49 1 6 VAL MG1 1 7 ARG H 2.500 . 3.800 3.400 2.609 3.596 . 0 0 "[ . 1 . 2]" 1
50 1 6 VAL H 1 7 ARG H 4.000 . 6.000 4.642 4.614 4.665 . 0 0 "[ . 1 . 2]" 1
51 1 6 VAL HA 1 7 ARG H 3.000 . 3.500 2.281 2.241 2.357 . 0 0 "[ . 1 . 2]" 1
52 1 6 VAL H 1 7 ARG HD3 4.000 . 6.000 5.499 4.825 6.128 0.128 16 0 "[ . 1 . 2]" 1
53 1 6 VAL MG2 1 7 ARG HA 4.000 . 6.500 4.322 4.171 4.621 . 0 0 "[ . 1 . 2]" 1
54 1 6 VAL MG2 1 8 ALA H 4.000 . 5.500 4.798 4.416 5.411 . 0 0 "[ . 1 . 2]" 1
55 1 6 VAL MG2 1 8 ALA MB 2.500 . 3.700 3.774 3.581 3.849 0.149 5 0 "[ . 1 . 2]" 1
56 1 6 VAL MG1 1 26 ILE HA 4.000 . 5.000 5.216 5.134 5.298 0.298 16 0 "[ . 1 . 2]" 1
57 1 6 VAL H 1 81 ILE MG 4.000 . 5.000 4.472 4.328 4.934 . 0 0 "[ . 1 . 2]" 1
58 1 6 VAL HB 1 81 ILE MD 4.000 . 5.000 4.151 3.727 4.498 . 0 0 "[ . 1 . 2]" 1
59 1 6 VAL MG1 1 82 PRO HD3 4.000 . 5.000 4.959 4.583 5.063 0.063 12 0 "[ . 1 . 2]" 1
60 1 7 ARG H 1 7 ARG HG3 4.000 . 6.000 3.779 3.596 4.623 . 0 0 "[ . 1 . 2]" 1
61 1 7 ARG H 1 7 ARG HD3 4.000 . 6.000 3.760 3.157 4.581 . 0 0 "[ . 1 . 2]" 1
62 1 7 ARG H 1 7 ARG HB3 4.000 . 5.000 3.640 2.938 3.793 . 0 0 "[ . 1 . 2]" 1
63 1 7 ARG HD2 1 8 ALA H 4.000 . 6.000 4.542 3.731 5.081 . 0 0 "[ . 1 . 2]" 1
64 1 7 ARG HA 1 8 ALA H 2.500 . 2.900 2.249 2.213 2.375 . 0 0 "[ . 1 . 2]" 1
65 1 7 ARG HG2 1 8 ALA H 4.000 . 6.000 5.108 4.231 5.271 . 0 0 "[ . 1 . 2]" 1
66 1 7 ARG H 1 8 ALA H 4.000 . 6.000 4.405 4.312 4.607 . 0 0 "[ . 1 . 2]" 1
67 1 7 ARG HB2 1 8 ALA H 4.000 . 5.000 4.164 3.669 4.505 . 0 0 "[ . 1 . 2]" 1
68 1 7 ARG HB3 1 25 SER HB2 4.000 . 6.000 5.578 5.099 6.159 0.159 16 0 "[ . 1 . 2]" 1
69 1 7 ARG HG3 1 25 SER HB2 4.000 . 6.400 6.539 6.433 6.619 0.219 14 0 "[ . 1 . 2]" 1
70 1 7 ARG HG2 1 27 TRP H 4.000 . 6.000 3.811 3.233 4.143 . 0 0 "[ . 1 . 2]" 1
71 1 7 ARG H 1 27 TRP H 4.000 . 6.000 3.413 2.938 4.130 . 0 0 "[ . 1 . 2]" 1
72 1 7 ARG HG3 1 27 TRP HB2 4.000 . 5.000 2.580 2.311 4.724 . 0 0 "[ . 1 . 2]" 1
73 1 7 ARG HG2 1 27 TRP HB2 3.000 . 3.300 3.110 2.671 3.402 0.102 16 0 "[ . 1 . 2]" 1
74 1 7 ARG HG3 1 28 THR HB 4.000 . 6.000 6.057 6.017 6.137 0.137 18 0 "[ . 1 . 2]" 1
75 1 7 ARG HG2 1 28 THR MG 4.000 . 5.500 5.381 4.975 5.585 0.085 9 0 "[ . 1 . 2]" 1
76 1 8 ALA H 1 8 ALA MB 2.500 . 3.400 2.506 2.297 2.744 . 0 0 "[ . 1 . 2]" 1
77 1 8 ALA MB 1 9 GLY H 2.500 . 3.400 3.194 3.067 3.262 . 0 0 "[ . 1 . 2]" 1
78 1 8 ALA HA 1 9 GLY H 2.500 . 2.900 2.177 2.158 2.192 . 0 0 "[ . 1 . 2]" 1
79 1 8 ALA MB 1 10 GLY H 4.000 . 6.500 5.815 5.620 6.063 . 0 0 "[ . 1 . 2]" 1
80 1 8 ALA MB 1 13 LEU HB2 4.000 . 5.500 5.551 5.432 5.652 0.152 20 0 "[ . 1 . 2]" 1
81 1 8 ALA MB 1 26 ILE HA 4.000 . 6.500 4.337 3.633 4.921 . 0 0 "[ . 1 . 2]" 1
82 1 8 ALA HA 1 27 TRP H 4.000 . 6.000 4.552 3.900 4.934 . 0 0 "[ . 1 . 2]" 1
83 1 8 ALA H 1 27 TRP H 4.000 . 6.000 5.263 4.667 5.614 . 0 0 "[ . 1 . 2]" 1
84 1 8 ALA MB 1 27 TRP H 4.000 . 6.500 5.486 4.885 5.931 . 0 0 "[ . 1 . 2]" 1
85 1 9 GLY HA2 1 10 GLY H 2.500 . 2.900 2.345 2.240 2.499 . 0 0 "[ . 1 . 2]" 1
86 1 9 GLY HA3 1 10 GLY H 4.000 . 5.000 2.929 2.685 3.071 . 0 0 "[ . 1 . 2]" 1
87 1 9 GLY HA2 1 13 LEU MD1 4.000 . 6.000 3.442 2.291 5.704 . 0 0 "[ . 1 . 2]" 1
88 1 9 GLY H 1 25 SER HA 4.000 . 6.000 5.432 5.077 5.700 . 0 0 "[ . 1 . 2]" 1
89 1 9 GLY HA2 1 25 SER H 4.000 . 5.000 5.027 4.867 5.160 0.160 2 0 "[ . 1 . 2]" 1
90 1 9 GLY H 1 26 ILE HB 4.000 . 6.000 5.917 5.832 6.083 0.083 19 0 "[ . 1 . 2]" 1
91 1 9 GLY HA2 1 26 ILE HG13 4.000 . 6.000 6.142 6.070 6.176 0.176 15 0 "[ . 1 . 2]" 1
92 1 9 GLY H 1 26 ILE MG 4.000 . 6.000 5.313 5.052 5.612 . 0 0 "[ . 1 . 2]" 1
93 1 10 GLY HA3 1 11 PRO HD3 4.000 . 6.000 3.518 3.078 3.712 . 0 0 "[ . 1 . 2]" 1
94 1 10 GLY HA2 1 11 PRO HA 3.000 . 4.300 4.438 4.395 4.473 0.173 5 0 "[ . 1 . 2]" 1
95 1 10 GLY HA2 1 11 PRO HB3 4.000 . 5.000 4.828 4.746 4.914 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLY HA2 1 11 PRO HG3 4.000 . 6.000 4.539 4.501 4.642 . 0 0 "[ . 1 . 2]" 1
97 1 10 GLY HA2 1 12 GLY H 4.000 . 6.000 3.891 3.714 4.223 . 0 0 "[ . 1 . 2]" 1
98 1 10 GLY HA2 1 23 GLU HB3 4.000 . 6.000 6.163 6.065 6.228 0.228 1 0 "[ . 1 . 2]" 1
99 1 11 PRO HB2 1 11 PRO HD3 4.000 . 6.000 3.950 3.929 3.969 . 0 0 "[ . 1 . 2]" 1
100 1 11 PRO HA 1 11 PRO HD2 4.000 . 6.000 4.098 4.094 4.105 . 0 0 "[ . 1 . 2]" 1
101 1 11 PRO HD3 1 12 GLY H 4.000 . 6.000 3.822 3.755 3.949 . 0 0 "[ . 1 . 2]" 1
102 1 11 PRO HB3 1 12 GLY H 4.000 . 6.000 4.369 4.286 4.426 . 0 0 "[ . 1 . 2]" 1
103 1 11 PRO HG3 1 12 GLY H 4.000 . 6.000 4.269 4.086 4.417 . 0 0 "[ . 1 . 2]" 1
104 1 11 PRO HG2 1 23 GLU H 4.000 . 6.000 4.093 3.526 4.757 . 0 0 "[ . 1 . 2]" 1
105 1 11 PRO HD2 1 24 PHE HA 4.000 . 6.000 2.648 2.330 3.054 . 0 0 "[ . 1 . 2]" 1
106 1 11 PRO HD2 1 24 PHE H 4.000 . 6.000 4.434 4.202 4.766 . 0 0 "[ . 1 . 2]" 1
107 1 11 PRO HB3 1 24 PHE HA 4.000 . 6.500 6.384 6.076 6.675 0.175 16 0 "[ . 1 . 2]" 1
108 1 12 GLY HA2 1 13 LEU H 4.000 . 6.000 3.523 3.396 3.573 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLY H 1 13 LEU H 3.000 . 3.500 2.227 2.136 2.303 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLY HA3 1 14 GLU H 4.000 . 5.000 4.400 4.273 4.586 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLY H 1 14 GLU H 4.000 . 6.000 3.767 3.717 3.852 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLY HA2 1 14 GLU H 4.000 . 6.000 3.799 3.598 3.943 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLY H 1 14 GLU HG2 3.000 . 3.900 3.950 3.794 4.068 0.168 13 0 "[ . 1 . 2]" 1
114 1 12 GLY HA3 1 15 ARG H 4.000 . 6.000 4.519 4.457 4.699 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLY HA2 1 22 ALA MB 4.000 . 5.500 3.819 3.364 4.180 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLY HA3 1 22 ALA MB 3.000 . 3.800 3.217 2.782 3.464 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLY H 1 22 ALA MB 4.000 . 6.000 5.273 4.776 5.521 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLY HA2 1 23 GLU H 4.000 . 6.000 4.262 4.060 4.558 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLY H 1 23 GLU H 4.000 . 6.000 4.548 4.203 4.822 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLY H 1 24 PHE HB3 4.000 . 5.000 3.412 2.759 4.768 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU H 1 13 LEU MD1 3.000 . 4.000 3.614 3.258 4.201 0.201 8 0 "[ . 1 . 2]" 1
122 1 13 LEU H 1 13 LEU HB2 2.500 . 2.900 2.433 2.170 2.748 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU HA 1 13 LEU HG 4.000 . 6.000 3.011 2.309 3.640 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HA 1 13 LEU MD1 4.000 . 6.000 3.498 2.263 3.843 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU H 1 14 GLU H 2.500 . 2.900 2.545 2.159 2.608 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 14 GLU H 4.000 . 5.000 3.455 3.418 3.476 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HB2 1 14 GLU H 4.000 . 6.000 3.240 3.026 3.768 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU H 1 14 GLU HG2 4.000 . 6.000 3.559 3.048 3.667 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU H 1 14 GLU HG3 4.000 . 5.000 4.518 4.139 4.769 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HA 1 14 GLU HG3 4.000 . 6.000 5.702 5.465 5.928 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU H 1 15 ARG H 3.000 . 4.200 4.161 3.675 4.222 0.022 8 0 "[ . 1 . 2]" 1
132 1 13 LEU H 1 22 ALA MB 4.000 . 6.500 5.425 4.899 6.044 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU H 1 24 PHE HB3 4.000 . 5.000 3.066 2.513 4.436 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU MD2 1 72 VAL HB 3.000 . 3.800 3.754 3.033 3.995 0.195 18 0 "[ . 1 . 2]" 1
135 1 13 LEU HA 1 72 VAL MG2 4.000 . 6.500 3.835 2.890 4.735 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU HA 1 88 VAL MG2 4.000 . 6.500 2.377 2.060 2.962 . 0 0 "[ . 1 . 2]" 1
137 1 14 GLU H 1 14 GLU HG3 2.500 . 2.900 2.449 2.338 2.594 . 0 0 "[ . 1 . 2]" 1
138 1 14 GLU H 1 14 GLU HG2 2.500 . 2.900 1.791 1.763 1.809 0.037 8 0 "[ . 1 . 2]" 1
139 1 14 GLU H 1 14 GLU HB3 4.000 . 6.000 3.025 2.957 3.105 . 0 0 "[ . 1 . 2]" 1
140 1 14 GLU H 1 15 ARG H 2.500 . 2.900 2.307 2.115 2.401 . 0 0 "[ . 1 . 2]" 1
141 1 14 GLU HG3 1 15 ARG H 2.500 . 2.900 1.908 1.806 2.348 . 0 0 "[ . 1 . 2]" 1
142 1 14 GLU HG2 1 15 ARG H 3.000 . 3.500 2.985 2.806 3.149 . 0 0 "[ . 1 . 2]" 1
143 1 14 GLU H 1 88 VAL MG2 4.000 . 6.500 4.427 3.937 4.924 . 0 0 "[ . 1 . 2]" 1
144 1 14 GLU HB3 1 88 VAL HA 4.000 . 6.400 6.505 6.371 6.657 0.257 15 0 "[ . 1 . 2]" 1
145 1 15 ARG HB3 1 15 ARG HD3 3.000 . 3.300 2.724 2.407 3.267 . 0 0 "[ . 1 . 2]" 1
146 1 15 ARG H 1 15 ARG HB3 2.500 . 3.700 3.742 3.696 3.778 0.078 12 0 "[ . 1 . 2]" 1
147 1 15 ARG H 1 15 ARG HG3 4.000 . 5.000 3.161 3.053 3.283 . 0 0 "[ . 1 . 2]" 1
148 1 15 ARG HB2 1 15 ARG HD3 4.000 . 6.000 2.847 2.392 3.256 . 0 0 "[ . 1 . 2]" 1
149 1 15 ARG HG3 1 16 ALA H 2.500 . 3.600 3.683 3.665 3.711 0.111 13 0 "[ . 1 . 2]" 1
150 1 15 ARG HD3 1 16 ALA H 4.000 . 6.000 4.886 4.130 5.388 . 0 0 "[ . 1 . 2]" 1
151 1 15 ARG HB3 1 16 ALA H 2.500 . 3.500 3.546 3.511 3.566 0.066 8 0 "[ . 1 . 2]" 1
152 1 15 ARG HB2 1 16 ALA H 2.500 . 3.400 2.171 2.139 2.195 . 0 0 "[ . 1 . 2]" 1
153 1 15 ARG HA 1 16 ALA H 2.500 . 2.900 2.582 2.558 2.593 . 0 0 "[ . 1 . 2]" 1
154 1 15 ARG H 1 16 ALA H 4.000 . 5.000 4.364 4.345 4.380 . 0 0 "[ . 1 . 2]" 1
155 1 15 ARG HA 1 17 GLU H 4.000 . 6.500 6.472 6.446 6.496 . 0 0 "[ . 1 . 2]" 1
156 1 15 ARG H 1 88 VAL MG2 4.000 . 5.500 4.637 4.190 5.104 . 0 0 "[ . 1 . 2]" 1
157 1 15 ARG HA 1 88 VAL MG2 4.000 . 5.500 4.460 4.115 4.763 . 0 0 "[ . 1 . 2]" 1
158 1 15 ARG HB3 1 90 VAL H 4.000 . 6.000 6.132 6.091 6.220 0.220 13 0 "[ . 1 . 2]" 1
159 1 16 ALA H 1 16 ALA MB 2.500 . 3.400 2.843 2.767 2.915 . 0 0 "[ . 1 . 2]" 1
160 1 16 ALA H 1 17 GLU H 4.000 . 6.000 4.301 4.283 4.343 . 0 0 "[ . 1 . 2]" 1
161 1 16 ALA MB 1 17 GLU H 2.500 . 3.400 1.838 1.762 1.967 0.038 12 0 "[ . 1 . 2]" 1
162 1 16 ALA HA 1 17 GLU HG3 4.000 . 6.000 5.812 5.732 5.877 . 0 0 "[ . 1 . 2]" 1
163 1 16 ALA MB 1 22 ALA MB 2.500 . 3.700 2.603 2.190 3.130 . 0 0 "[ . 1 . 2]" 1
164 1 16 ALA H 1 88 VAL MG1 3.000 . 4.000 3.711 3.434 4.012 0.012 4 0 "[ . 1 . 2]" 1
165 1 16 ALA H 1 88 VAL MG2 4.000 . 6.500 6.228 5.802 6.611 0.111 1 0 "[ . 1 . 2]" 1
166 1 16 ALA MB 1 88 VAL MG2 4.000 . 6.000 5.079 4.508 5.722 . 0 0 "[ . 1 . 2]" 1
167 1 16 ALA H 1 89 PRO HA 4.000 . 5.500 5.499 5.355 5.649 0.149 12 0 "[ . 1 . 2]" 1
168 1 16 ALA H 1 89 PRO HD3 4.000 . 6.400 6.381 6.162 6.527 0.127 3 0 "[ . 1 . 2]" 1
169 1 16 ALA H 1 90 VAL HB 4.000 . 6.000 5.159 4.986 5.241 . 0 0 "[ . 1 . 2]" 1
170 1 16 ALA H 1 90 VAL MG2 2.500 . 3.400 3.454 3.278 3.508 0.108 11 0 "[ . 1 . 2]" 1
171 1 16 ALA H 1 90 VAL HA 2.500 . 2.900 2.315 2.227 2.373 . 0 0 "[ . 1 . 2]" 1
172 1 16 ALA MB 1 90 VAL MG2 3.000 . 4.300 2.209 2.053 2.368 . 0 0 "[ . 1 . 2]" 1
173 1 16 ALA MB 1 90 VAL MG1 4.000 . 7.000 4.125 3.961 4.353 . 0 0 "[ . 1 . 2]" 1
174 1 16 ALA HA 1 90 VAL MG2 4.000 . 6.500 4.289 4.005 4.426 . 0 0 "[ . 1 . 2]" 1
175 1 16 ALA H 1 91 ALA H 3.000 . 3.500 2.639 2.502 2.719 . 0 0 "[ . 1 . 2]" 1
176 1 16 ALA MB 1 91 ALA H 4.000 . 6.500 4.037 3.960 4.207 . 0 0 "[ . 1 . 2]" 1
177 1 16 ALA HA 1 91 ALA H 3.000 . 4.200 4.242 4.196 4.268 0.068 19 0 "[ . 1 . 2]" 1
178 1 16 ALA H 1 91 ALA MB 2.500 . 3.400 3.609 3.549 3.678 0.278 8 0 "[ . 1 . 2]" 1
179 1 17 GLU H 1 17 GLU HG3 3.000 . 4.300 4.523 4.493 4.551 0.251 15 0 "[ . 1 . 2]" 1
180 1 17 GLU H 1 17 GLU HB3 2.500 . 3.600 3.492 3.446 3.528 . 0 0 "[ . 1 . 2]" 1
181 1 17 GLU HA 1 17 GLU HG3 4.000 . 6.000 2.264 2.220 2.288 . 0 0 "[ . 1 . 2]" 1
182 1 17 GLU H 1 17 GLU HB2 4.000 . 6.000 2.491 2.423 2.557 . 0 0 "[ . 1 . 2]" 1
183 1 17 GLU H 1 18 ALA H 4.000 . 6.000 4.442 4.401 4.494 . 0 0 "[ . 1 . 2]" 1
184 1 17 GLU HA 1 18 ALA H 2.500 . 2.900 2.243 2.176 2.334 . 0 0 "[ . 1 . 2]" 1
185 1 17 GLU HG3 1 18 ALA H 2.500 . 2.900 3.105 3.061 3.143 0.243 11 0 "[ . 1 . 2]" 1
186 1 17 GLU HB2 1 18 ALA H 3.000 . 4.200 4.190 4.104 4.256 0.056 17 0 "[ . 1 . 2]" 1
187 1 17 GLU HA 1 18 ALA MB 4.000 . 6.500 3.968 3.909 4.040 . 0 0 "[ . 1 . 2]" 1
188 1 17 GLU HB3 1 20 VAL H 4.000 . 5.000 4.458 4.271 4.679 . 0 0 "[ . 1 . 2]" 1
189 1 17 GLU HG3 1 20 VAL MG1 4.000 . 6.500 5.253 4.969 5.554 . 0 0 "[ . 1 . 2]" 1
190 1 17 GLU HB2 1 20 VAL MG2 4.000 . 6.500 2.557 2.279 2.852 . 0 0 "[ . 1 . 2]" 1
191 1 17 GLU HB3 1 20 VAL MG2 3.000 . 3.800 2.076 2.064 2.107 . 0 0 "[ . 1 . 2]" 1
192 1 17 GLU HA 1 20 VAL MG2 4.000 . 6.500 4.318 4.193 4.436 . 0 0 "[ . 1 . 2]" 1
193 1 17 GLU HB2 1 20 VAL MG1 4.000 . 6.500 2.755 2.576 2.988 . 0 0 "[ . 1 . 2]" 1
194 1 17 GLU H 1 90 VAL MG1 4.000 . 6.500 4.296 4.144 4.445 . 0 0 "[ . 1 . 2]" 1
195 1 17 GLU HA 1 90 VAL MG2 4.000 . 6.500 3.127 2.848 3.304 . 0 0 "[ . 1 . 2]" 1
196 1 17 GLU HA 1 91 ALA H 2.500 . 2.900 2.777 2.693 2.888 . 0 0 "[ . 1 . 2]" 1
197 1 17 GLU HG3 1 91 ALA H 4.000 . 6.000 4.264 4.045 4.465 . 0 0 "[ . 1 . 2]" 1
198 1 17 GLU HG3 1 91 ALA MB 3.000 . 3.800 3.076 2.817 3.355 . 0 0 "[ . 1 . 2]" 1
199 1 17 GLU HA 1 91 ALA MB 4.000 . 6.500 3.201 3.050 3.300 . 0 0 "[ . 1 . 2]" 1
200 1 17 GLU HG3 1 92 SER HB2 4.000 . 6.000 5.188 4.941 5.540 . 0 0 "[ . 1 . 2]" 1
201 1 17 GLU HG3 1 92 SER HB3 4.000 . 6.000 5.347 5.109 5.599 . 0 0 "[ . 1 . 2]" 1
202 1 17 GLU HG3 1 92 SER H 3.000 . 4.100 3.963 3.763 4.130 0.030 4 0 "[ . 1 . 2]" 1
203 1 17 GLU HB3 1 92 SER HA 4.000 . 6.000 5.226 5.114 5.353 . 0 0 "[ . 1 . 2]" 1
204 1 17 GLU HA 1 93 PRO HD2 4.000 . 6.000 6.051 6.028 6.074 0.074 6 0 "[ . 1 . 2]" 1
205 1 17 GLU HA 1 93 PRO HD3 4.000 . 5.000 4.739 4.695 4.799 . 0 0 "[ . 1 . 2]" 1
206 1 17 GLU HG3 1 93 PRO HD3 4.000 . 6.000 3.827 3.704 3.984 . 0 0 "[ . 1 . 2]" 1
207 1 17 GLU HG3 1 93 PRO HA 4.000 . 5.000 2.963 2.772 3.155 . 0 0 "[ . 1 . 2]" 1
208 1 17 GLU HB3 1 93 PRO HA 4.000 . 6.000 3.176 3.067 3.350 . 0 0 "[ . 1 . 2]" 1
209 1 17 GLU HB2 1 93 PRO HA 4.000 . 6.000 4.361 4.290 4.432 . 0 0 "[ . 1 . 2]" 1
210 1 17 GLU HB3 1 93 PRO HB3 4.000 . 6.000 5.139 5.020 5.294 . 0 0 "[ . 1 . 2]" 1
211 1 17 GLU HG3 1 94 SER H 3.000 . 4.300 3.928 3.427 4.217 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLU HG3 1 95 GLY H 4.000 . 6.000 6.015 5.944 6.044 0.044 15 0 "[ . 1 . 2]" 1
213 1 18 ALA H 1 18 ALA MB 2.500 . 3.400 2.136 2.080 2.204 . 0 0 "[ . 1 . 2]" 1
214 1 18 ALA HA 1 19 GLY H 2.500 . 2.900 2.261 2.193 2.340 . 0 0 "[ . 1 . 2]" 1
215 1 18 ALA HA 1 19 GLY HA3 4.000 . 6.000 4.544 4.475 4.606 . 0 0 "[ . 1 . 2]" 1
216 1 18 ALA MB 1 19 GLY H 2.500 . 3.400 3.047 2.908 3.261 . 0 0 "[ . 1 . 2]" 1
217 1 18 ALA H 1 20 VAL MG2 4.000 . 6.500 4.059 3.899 4.176 . 0 0 "[ . 1 . 2]" 1
218 1 18 ALA HA 1 20 VAL H 4.000 . 5.000 3.546 3.452 3.674 . 0 0 "[ . 1 . 2]" 1
219 1 18 ALA HA 1 64 VAL H 4.000 . 6.000 4.670 4.460 4.856 . 0 0 "[ . 1 . 2]" 1
220 1 18 ALA HA 1 64 VAL MG2 4.000 . 6.500 4.452 4.180 4.623 . 0 0 "[ . 1 . 2]" 1
221 1 18 ALA HA 1 66 GLU H 4.000 . 6.000 5.280 5.103 5.468 . 0 0 "[ . 1 . 2]" 1
222 1 18 ALA HA 1 66 GLU HB3 4.000 . 6.000 6.264 6.201 6.337 0.337 14 0 "[ . 1 . 2]" 1
223 1 18 ALA H 1 90 VAL MG2 2.500 . 3.400 3.541 3.461 3.614 0.214 7 0 "[ . 1 . 2]" 1
224 1 18 ALA HA 1 90 VAL MG2 4.000 . 6.500 2.872 2.519 3.076 . 0 0 "[ . 1 . 2]" 1
225 1 18 ALA MB 1 90 VAL MG2 4.000 . 7.000 3.687 3.567 3.793 . 0 0 "[ . 1 . 2]" 1
226 1 18 ALA H 1 92 SER HA 3.000 . 3.500 3.481 3.299 3.593 0.093 1 0 "[ . 1 . 2]" 1
227 1 18 ALA H 1 93 PRO HD2 4.000 . 5.000 4.783 4.647 4.922 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLY HA2 1 20 VAL H 4.000 . 5.000 3.008 2.997 3.023 . 0 0 "[ . 1 . 2]" 1
229 1 19 GLY H 1 20 VAL H 2.500 . 2.900 2.622 2.452 2.768 . 0 0 "[ . 1 . 2]" 1
230 1 19 GLY HA3 1 20 VAL H 3.000 . 3.500 3.510 3.503 3.515 0.015 5 0 "[ . 1 . 2]" 1
231 1 19 GLY HA2 1 20 VAL HA 4.000 . 6.000 4.492 4.478 4.514 . 0 0 "[ . 1 . 2]" 1
232 1 19 GLY HA2 1 63 VAL HA 4.000 . 6.000 5.026 4.832 5.123 . 0 0 "[ . 1 . 2]" 1
233 1 19 GLY HA3 1 63 VAL MG1 3.000 . 3.800 3.851 3.749 3.918 0.118 20 0 "[ . 1 . 2]" 1
234 1 19 GLY H 1 63 VAL MG1 3.000 . 4.000 3.651 3.548 3.834 . 0 0 "[ . 1 . 2]" 1
235 1 19 GLY HA2 1 63 VAL MG1 4.000 . 5.500 2.545 2.481 2.609 . 0 0 "[ . 1 . 2]" 1
236 1 19 GLY H 1 64 VAL MG2 4.000 . 6.500 4.220 4.151 4.312 . 0 0 "[ . 1 . 2]" 1
237 1 19 GLY H 1 64 VAL HA 4.000 . 6.000 4.603 4.481 4.707 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLY H 1 65 GLN HA 2.500 . 2.900 2.992 2.944 3.040 0.140 17 0 "[ . 1 . 2]" 1
239 1 19 GLY H 1 90 VAL MG1 3.000 . 4.000 4.216 4.154 4.339 0.339 7 0 "[ . 1 . 2]" 1
240 1 20 VAL H 1 20 VAL HB 2.500 . 2.900 2.674 2.629 2.721 . 0 0 "[ . 1 . 2]" 1
241 1 20 VAL H 1 20 VAL MG1 2.500 . 3.800 3.855 3.837 3.880 0.080 7 0 "[ . 1 . 2]" 1
242 1 20 VAL H 1 20 VAL MG2 2.500 . 3.400 3.041 2.956 3.137 . 0 0 "[ . 1 . 2]" 1
243 1 20 VAL HA 1 20 VAL MG2 2.500 . 3.200 2.239 2.225 2.261 . 0 0 "[ . 1 . 2]" 1
244 1 20 VAL HA 1 21 PRO HD3 2.500 . 2.700 2.309 2.291 2.328 . 0 0 "[ . 1 . 2]" 1
245 1 20 VAL MG1 1 21 PRO HD3 4.000 . 6.500 3.552 3.527 3.610 . 0 0 "[ . 1 . 2]" 1
246 1 20 VAL MG2 1 21 PRO HD3 4.000 . 6.500 4.140 4.099 4.191 . 0 0 "[ . 1 . 2]" 1
247 1 20 VAL HA 1 21 PRO HB3 4.000 . 5.600 5.617 5.613 5.621 0.021 8 0 "[ . 1 . 2]" 1
248 1 20 VAL HA 1 21 PRO HB2 3.000 . 4.800 4.924 4.891 4.937 0.137 13 0 "[ . 1 . 2]" 1
249 1 20 VAL MG1 1 22 ALA H 4.000 . 6.500 4.632 4.497 4.702 . 0 0 "[ . 1 . 2]" 1
250 1 20 VAL H 1 64 VAL HA 4.000 . 5.600 5.708 5.672 5.729 0.129 1 0 "[ . 1 . 2]" 1
251 1 20 VAL MG2 1 64 VAL MG2 4.000 . 6.000 6.014 5.880 6.060 0.060 7 0 "[ . 1 . 2]" 1
252 1 21 PRO HB2 1 21 PRO HD3 4.000 . 5.000 3.882 3.866 3.892 . 0 0 "[ . 1 . 2]" 1
253 1 21 PRO HA 1 21 PRO HG3 4.000 . 6.000 2.900 2.836 2.934 . 0 0 "[ . 1 . 2]" 1
254 1 21 PRO HA 1 22 ALA H 2.500 . 2.900 2.273 2.244 2.294 . 0 0 "[ . 1 . 2]" 1
255 1 21 PRO HD3 1 63 VAL HB 4.000 . 5.000 5.109 4.998 5.165 0.165 20 0 "[ . 1 . 2]" 1
256 1 21 PRO HB3 1 63 VAL H 4.000 . 6.000 5.275 5.122 5.526 . 0 0 "[ . 1 . 2]" 1
257 1 21 PRO HB3 1 63 VAL HA 4.000 . 6.000 4.675 4.580 4.763 . 0 0 "[ . 1 . 2]" 1
258 1 21 PRO HG3 1 63 VAL HA 4.000 . 6.000 4.575 4.409 4.650 . 0 0 "[ . 1 . 2]" 1
259 1 22 ALA H 1 22 ALA MB 2.500 . 3.400 2.244 2.195 2.294 . 0 0 "[ . 1 . 2]" 1
260 1 22 ALA H 1 23 GLU H 4.000 . 6.000 4.375 4.250 4.548 . 0 0 "[ . 1 . 2]" 1
261 1 22 ALA HA 1 23 GLU H 2.500 . 2.900 2.217 2.204 2.233 . 0 0 "[ . 1 . 2]" 1
262 1 22 ALA MB 1 23 GLU H 2.500 . 3.400 3.425 3.203 3.516 0.116 4 0 "[ . 1 . 2]" 1
263 1 22 ALA MB 1 61 ALA MB 4.000 . 6.000 4.414 4.172 4.931 . 0 0 "[ . 1 . 2]" 1
264 1 22 ALA MB 1 62 TYR H 4.000 . 6.500 3.094 2.842 3.282 . 0 0 "[ . 1 . 2]" 1
265 1 22 ALA H 1 63 VAL HB 4.000 . 5.400 5.479 5.425 5.553 0.153 12 0 "[ . 1 . 2]" 1
266 1 22 ALA H 1 63 VAL HA 2.500 . 2.900 2.706 2.617 2.836 . 0 0 "[ . 1 . 2]" 1
267 1 22 ALA H 1 64 VAL HB 4.000 . 6.000 6.133 6.039 6.226 0.226 6 0 "[ . 1 . 2]" 1
268 1 23 GLU HA 1 23 GLU HG3 3.000 . 3.300 2.769 2.588 2.926 . 0 0 "[ . 1 . 2]" 1
269 1 23 GLU H 1 23 GLU HB2 2.500 . 2.900 2.426 2.291 2.552 . 0 0 "[ . 1 . 2]" 1
270 1 23 GLU H 1 23 GLU HG3 2.500 . 2.900 2.636 2.335 2.882 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLU H 1 23 GLU HB3 4.000 . 6.000 3.653 3.592 3.712 . 0 0 "[ . 1 . 2]" 1
272 1 23 GLU HA 1 24 PHE H 2.500 . 2.900 2.399 2.347 2.436 . 0 0 "[ . 1 . 2]" 1
273 1 23 GLU H 1 24 PHE H 4.000 . 6.000 4.581 4.557 4.607 . 0 0 "[ . 1 . 2]" 1
274 1 23 GLU HG2 1 24 PHE H 4.000 . 6.000 3.916 3.555 4.243 . 0 0 "[ . 1 . 2]" 1
275 1 23 GLU HB2 1 24 PHE H 3.000 . 3.500 3.603 3.525 3.689 0.189 16 0 "[ . 1 . 2]" 1
276 1 23 GLU HG3 1 24 PHE H 4.000 . 6.000 4.624 4.401 4.812 . 0 0 "[ . 1 . 2]" 1
277 1 23 GLU HB3 1 24 PHE H 4.000 . 6.000 2.381 2.244 2.500 . 0 0 "[ . 1 . 2]" 1
278 1 23 GLU HA 1 59 GLY HA3 4.000 . 6.000 6.082 5.918 6.156 0.156 2 0 "[ . 1 . 2]" 1
279 1 23 GLU HA 1 62 TYR H 2.500 . 3.500 3.687 3.610 3.760 0.260 20 0 "[ . 1 . 2]" 1
280 1 24 PHE H 1 24 PHE HB3 4.000 . 5.000 3.699 3.540 4.005 . 0 0 "[ . 1 . 2]" 1
281 1 24 PHE H 1 24 PHE HD2 4.000 . 6.000 4.096 3.485 5.215 . 0 0 "[ . 1 . 2]" 1
282 1 24 PHE HB3 1 25 SER H 2.500 . 3.500 3.570 2.710 3.745 0.245 17 0 "[ . 1 . 2]" 1
283 1 24 PHE HD2 1 25 SER H 4.000 . 6.000 4.921 2.637 5.756 . 0 0 "[ . 1 . 2]" 1
284 1 24 PHE HA 1 25 SER H 2.500 . 2.900 2.553 2.352 2.793 . 0 0 "[ . 1 . 2]" 1
285 1 24 PHE HD1 1 25 SER H 4.000 . 6.000 3.756 2.493 5.636 . 0 0 "[ . 1 . 2]" 1
286 1 25 SER H 1 25 SER HB3 4.000 . 6.000 3.522 3.270 3.741 . 0 0 "[ . 1 . 2]" 1
287 1 25 SER HA 1 26 ILE HA 4.000 . 6.000 4.470 4.454 4.512 . 0 0 "[ . 1 . 2]" 1
288 1 25 SER HB2 1 26 ILE HG13 4.000 . 6.000 5.153 5.114 5.408 . 0 0 "[ . 1 . 2]" 1
289 1 25 SER HA 1 58 CYS H 4.000 . 5.000 5.010 4.848 5.085 0.085 2 0 "[ . 1 . 2]" 1
290 1 25 SER HB3 1 59 GLY HA3 3.000 . 3.300 3.405 3.329 3.471 0.171 3 0 "[ . 1 . 2]" 1
291 1 26 ILE HA 1 27 TRP H 2.500 . 2.900 2.246 2.178 2.290 . 0 0 "[ . 1 . 2]" 1
292 1 26 ILE MG 1 27 TRP H 3.000 . 4.000 3.417 3.149 3.528 . 0 0 "[ . 1 . 2]" 1
293 1 26 ILE HA 1 28 THR H 4.000 . 6.000 6.048 5.603 6.124 0.124 8 0 "[ . 1 . 2]" 1
294 1 27 TRP H 1 27 TRP HB2 4.000 . 5.000 2.589 2.193 2.822 . 0 0 "[ . 1 . 2]" 1
295 1 27 TRP H 1 27 TRP HB3 4.000 . 6.000 3.583 2.815 3.773 . 0 0 "[ . 1 . 2]" 1
296 1 27 TRP H 1 28 THR MG 4.000 . 6.500 4.616 3.507 5.193 . 0 0 "[ . 1 . 2]" 1
297 1 27 TRP HA 1 28 THR H 4.000 . 6.000 2.216 2.199 2.249 . 0 0 "[ . 1 . 2]" 1
298 1 27 TRP HA 1 58 CYS H 4.000 . 6.000 5.087 3.995 5.494 . 0 0 "[ . 1 . 2]" 1
299 1 28 THR HA 1 29 ARG H 3.000 . 3.500 3.175 3.124 3.391 . 0 0 "[ . 1 . 2]" 1
300 1 28 THR HA 1 31 ALA HA 4.000 . 6.000 5.201 4.476 5.866 . 0 0 "[ . 1 . 2]" 1
301 1 29 ARG H 1 29 ARG HD3 4.000 . 6.000 4.572 3.502 5.913 . 0 0 "[ . 1 . 2]" 1
302 1 29 ARG H 1 29 ARG HD2 4.000 . 6.000 4.607 3.586 5.969 . 0 0 "[ . 1 . 2]" 1
303 1 29 ARG H 1 29 ARG HG3 4.000 . 6.000 3.508 1.894 4.514 . 0 0 "[ . 1 . 2]" 1
304 1 29 ARG H 1 29 ARG HB3 4.000 . 6.000 2.914 2.444 3.627 . 0 0 "[ . 1 . 2]" 1
305 1 29 ARG HB3 1 29 ARG HD3 4.000 . 6.000 3.131 2.437 3.715 . 0 0 "[ . 1 . 2]" 1
306 1 29 ARG HA 1 30 GLU H 4.000 . 5.000 3.514 3.359 3.586 . 0 0 "[ . 1 . 2]" 1
307 1 29 ARG HB3 1 30 GLU HA 4.000 . 6.000 4.720 4.193 5.703 . 0 0 "[ . 1 . 2]" 1
308 1 29 ARG HA 1 31 ALA H 4.000 . 6.000 3.955 3.444 4.455 . 0 0 "[ . 1 . 2]" 1
309 1 29 ARG HA 1 32 GLY H 4.000 . 6.400 4.075 3.410 4.786 . 0 0 "[ . 1 . 2]" 1
310 1 30 GLU HA 1 30 GLU HG3 2.500 . 2.700 2.472 2.340 2.703 0.003 10 0 "[ . 1 . 2]" 1
311 1 30 GLU H 1 30 GLU HB3 2.500 . 2.900 2.632 2.464 2.758 . 0 0 "[ . 1 . 2]" 1
312 1 30 GLU H 1 30 GLU HG3 4.000 . 5.000 4.454 4.370 4.537 . 0 0 "[ . 1 . 2]" 1
313 1 30 GLU H 1 31 ALA HA 4.000 . 6.000 5.122 4.789 5.259 . 0 0 "[ . 1 . 2]" 1
314 1 30 GLU HA 1 31 ALA H 4.000 . 5.000 3.465 3.366 3.542 . 0 0 "[ . 1 . 2]" 1
315 1 30 GLU H 1 31 ALA H 4.000 . 5.000 2.520 2.297 2.622 . 0 0 "[ . 1 . 2]" 1
316 1 30 GLU HB3 1 31 ALA H 4.000 . 6.000 3.014 2.698 3.356 . 0 0 "[ . 1 . 2]" 1
317 1 30 GLU H 1 31 ALA MB 4.000 . 6.500 4.211 4.036 4.300 . 0 0 "[ . 1 . 2]" 1
318 1 30 GLU HB3 1 31 ALA HA 4.000 . 6.000 4.218 4.094 4.404 . 0 0 "[ . 1 . 2]" 1
319 1 30 GLU HA 1 32 GLY H 4.000 . 5.000 3.523 3.003 4.531 . 0 0 "[ . 1 . 2]" 1
320 1 30 GLU HA 1 32 GLY HA2 4.000 . 6.200 4.805 4.376 5.274 . 0 0 "[ . 1 . 2]" 1
321 1 31 ALA H 1 31 ALA MB 2.500 . 3.400 2.232 2.197 2.260 . 0 0 "[ . 1 . 2]" 1
322 1 31 ALA H 1 32 GLY HA3 4.000 . 6.000 5.380 5.183 5.474 . 0 0 "[ . 1 . 2]" 1
323 1 31 ALA MB 1 32 GLY H 3.000 . 4.000 2.952 2.431 3.465 . 0 0 "[ . 1 . 2]" 1
324 1 31 ALA HA 1 32 GLY H 4.000 . 6.000 3.416 3.148 3.571 . 0 0 "[ . 1 . 2]" 1
325 1 32 GLY HA2 1 33 ALA HA 3.000 . 4.400 4.393 4.365 4.444 0.044 18 0 "[ . 1 . 2]" 1
326 1 32 GLY HA2 1 33 ALA H 2.500 . 3.300 2.646 2.187 2.907 . 0 0 "[ . 1 . 2]" 1
327 1 32 GLY HA3 1 33 ALA H 2.500 . 3.400 2.609 2.339 3.265 . 0 0 "[ . 1 . 2]" 1
328 1 33 ALA H 1 33 ALA MB 2.500 . 3.400 2.238 2.201 2.274 . 0 0 "[ . 1 . 2]" 1
329 1 33 ALA HA 1 34 GLY H 2.500 . 3.300 2.389 2.285 2.430 . 0 0 "[ . 1 . 2]" 1
330 1 33 ALA MB 1 34 GLY H 2.500 . 3.400 2.578 2.466 2.848 . 0 0 "[ . 1 . 2]" 1
331 1 33 ALA MB 1 35 GLY H 4.000 . 6.500 5.801 5.586 6.030 . 0 0 "[ . 1 . 2]" 1
332 1 34 GLY HA2 1 35 GLY H 4.000 . 5.000 2.470 2.276 2.931 . 0 0 "[ . 1 . 2]" 1
333 1 34 GLY HA3 1 35 GLY H 4.000 . 5.000 2.773 2.326 3.006 . 0 0 "[ . 1 . 2]" 1
334 1 35 GLY HA2 1 36 LEU H 4.000 . 6.000 2.376 2.177 2.504 . 0 0 "[ . 1 . 2]" 1
335 1 35 GLY HA3 1 36 LEU H 4.000 . 5.000 2.888 2.719 3.302 . 0 0 "[ . 1 . 2]" 1
336 1 35 GLY HA3 1 36 LEU HG 4.000 . 6.400 5.620 4.478 6.506 0.106 20 0 "[ . 1 . 2]" 1
337 1 35 GLY H 1 77 ASN H 4.000 . 6.000 5.121 3.915 6.027 0.027 20 0 "[ . 1 . 2]" 1
338 1 36 LEU H 1 36 LEU HB2 4.000 . 6.000 2.575 2.292 3.693 . 0 0 "[ . 1 . 2]" 1
339 1 36 LEU H 1 36 LEU HB3 4.000 . 6.000 3.522 2.704 3.702 . 0 0 "[ . 1 . 2]" 1
340 1 36 LEU HA 1 36 LEU MD1 4.000 . 5.500 3.190 2.197 3.859 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU HB2 1 37 ALA H 4.000 . 6.000 4.096 3.055 4.501 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU MD1 1 37 ALA H 4.000 . 5.500 4.526 3.246 5.207 . 0 0 "[ . 1 . 2]" 1
343 1 36 LEU HA 1 37 ALA H 2.500 . 2.900 2.230 2.185 2.278 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU MD1 1 76 PHE HB2 4.000 . 6.500 5.920 4.473 6.550 0.050 1 0 "[ . 1 . 2]" 1
345 1 36 LEU HA 1 76 PHE HB2 4.000 . 6.000 5.094 4.427 5.923 . 0 0 "[ . 1 . 2]" 1
346 1 37 ALA HA 1 38 ILE H 4.000 . 6.000 2.255 2.196 2.426 . 0 0 "[ . 1 . 2]" 1
347 1 37 ALA HA 1 38 ILE HB 4.000 . 6.000 5.204 4.721 5.739 . 0 0 "[ . 1 . 2]" 1
348 1 37 ALA MB 1 75 LYS H 4.000 . 6.500 4.887 4.620 5.183 . 0 0 "[ . 1 . 2]" 1
349 1 38 ILE HA 1 38 ILE MD 4.000 . 5.500 3.887 3.647 4.127 . 0 0 "[ . 1 . 2]" 1
350 1 38 ILE MD 1 39 ALA H 2.500 . 3.800 3.926 3.542 4.110 0.310 5 0 "[ . 1 . 2]" 1
351 1 38 ILE HA 1 39 ALA H 2.500 . 2.900 2.314 2.201 2.375 . 0 0 "[ . 1 . 2]" 1
352 1 38 ILE HA 1 39 ALA MB 4.000 . 5.500 3.908 3.846 4.005 . 0 0 "[ . 1 . 2]" 1
353 1 38 ILE H 1 39 ALA HA 4.000 . 6.000 4.637 4.433 4.755 . 0 0 "[ . 1 . 2]" 1
354 1 38 ILE HB 1 39 ALA HA 4.000 . 6.000 5.602 5.050 5.943 . 0 0 "[ . 1 . 2]" 1
355 1 38 ILE HB 1 39 ALA H 4.000 . 6.000 3.487 2.703 4.075 . 0 0 "[ . 1 . 2]" 1
356 1 38 ILE MD 1 50 PHE QE 4.000 . 6.500 6.301 5.960 6.404 . 0 0 "[ . 1 . 2]" 1
357 1 38 ILE HG13 1 72 VAL MG2 4.000 . 5.500 5.581 5.422 5.658 0.158 6 0 "[ . 1 . 2]" 1
358 1 38 ILE HA 1 74 VAL H 4.000 . 6.000 5.329 4.961 5.796 . 0 0 "[ . 1 . 2]" 1
359 1 38 ILE HG13 1 74 VAL MG2 4.000 . 6.500 5.507 4.781 6.540 0.040 11 0 "[ . 1 . 2]" 1
360 1 38 ILE MG 1 75 LYS H 4.000 . 6.500 3.707 2.092 4.783 . 0 0 "[ . 1 . 2]" 1
361 1 38 ILE HG13 1 75 LYS H 4.000 . 6.000 4.227 3.632 5.081 . 0 0 "[ . 1 . 2]" 1
362 1 39 ALA H 1 39 ALA MB 2.500 . 3.400 2.376 2.214 2.613 . 0 0 "[ . 1 . 2]" 1
363 1 39 ALA H 1 40 VAL MG1 4.000 . 6.500 5.767 4.214 6.578 0.078 9 0 "[ . 1 . 2]" 1
364 1 39 ALA MB 1 40 VAL H 2.500 . 3.400 3.308 2.842 3.476 0.076 2 0 "[ . 1 . 2]" 1
365 1 39 ALA HA 1 40 VAL H 2.500 . 2.900 2.196 2.169 2.216 . 0 0 "[ . 1 . 2]" 1
366 1 39 ALA HA 1 73 SER HB3 4.000 . 6.000 5.561 4.792 6.212 0.212 3 0 "[ . 1 . 2]" 1
367 1 39 ALA MB 1 73 SER HB2 4.000 . 6.500 2.500 2.052 3.526 . 0 0 "[ . 1 . 2]" 1
368 1 39 ALA MB 1 73 SER HB3 4.000 . 6.500 2.945 2.275 3.381 . 0 0 "[ . 1 . 2]" 1
369 1 39 ALA H 1 73 SER H 4.000 . 5.000 4.246 3.894 4.652 . 0 0 "[ . 1 . 2]" 1
370 1 39 ALA MB 1 73 SER H 4.000 . 6.500 3.724 3.366 4.088 . 0 0 "[ . 1 . 2]" 1
371 1 40 VAL H 1 40 VAL HB 2.500 . 3.700 2.778 2.233 3.718 0.018 2 0 "[ . 1 . 2]" 1
372 1 40 VAL H 1 40 VAL MG1 3.000 . 4.000 2.940 1.782 3.737 0.018 3 0 "[ . 1 . 2]" 1
373 1 40 VAL H 1 40 VAL MG2 4.000 . 5.500 2.847 2.072 3.831 . 0 0 "[ . 1 . 2]" 1
374 1 40 VAL HA 1 41 GLU H 2.500 . 2.900 2.143 2.122 2.173 . 0 0 "[ . 1 . 2]" 1
375 1 40 VAL MG2 1 41 GLU H 2.500 . 3.800 3.768 3.098 4.019 0.219 15 0 "[ . 1 . 2]" 1
376 1 40 VAL MG1 1 41 GLU H 4.000 . 5.500 3.629 3.086 4.279 . 0 0 "[ . 1 . 2]" 1
377 1 40 VAL H 1 41 GLU H 4.000 . 6.000 4.300 4.252 4.386 . 0 0 "[ . 1 . 2]" 1
378 1 40 VAL H 1 41 GLU HB2 4.000 . 6.000 5.912 5.677 6.054 0.054 9 0 "[ . 1 . 2]" 1
379 1 40 VAL HA 1 41 GLU HB2 4.000 . 6.000 4.322 4.242 4.430 . 0 0 "[ . 1 . 2]" 1
380 1 40 VAL MG2 1 42 GLY H 4.000 . 6.500 6.025 4.842 6.815 0.315 20 0 "[ . 1 . 2]" 1
381 1 40 VAL HB 1 46 ALA MB 4.000 . 5.500 4.072 3.097 4.531 . 0 0 "[ . 1 . 2]" 1
382 1 40 VAL MG1 1 46 ALA MB 4.000 . 7.000 2.955 2.053 4.590 . 0 0 "[ . 1 . 2]" 1
383 1 40 VAL MG2 1 48 ILE H 4.000 . 6.500 6.087 5.546 6.586 0.086 18 0 "[ . 1 . 2]" 1
384 1 40 VAL H 1 48 ILE MD 4.000 . 5.500 5.290 4.639 5.568 0.068 7 0 "[ . 1 . 2]" 1
385 1 40 VAL MG2 1 48 ILE HB 4.000 . 6.500 5.541 4.151 6.517 0.017 11 0 "[ . 1 . 2]" 1
386 1 40 VAL MG1 1 48 ILE MD 4.000 . 6.000 4.021 2.346 5.390 . 0 0 "[ . 1 . 2]" 1
387 1 40 VAL MG1 1 62 TYR HB3 4.000 . 6.500 4.568 3.046 5.932 . 0 0 "[ . 1 . 2]" 1
388 1 40 VAL HA 1 73 SER H 2.500 . 2.900 2.794 2.478 3.012 0.112 8 0 "[ . 1 . 2]" 1
389 1 41 GLU H 1 41 GLU HB3 4.000 . 5.000 3.431 2.692 3.575 . 0 0 "[ . 1 . 2]" 1
390 1 41 GLU H 1 41 GLU HG3 4.000 . 5.000 4.357 4.191 4.540 . 0 0 "[ . 1 . 2]" 1
391 1 41 GLU H 1 41 GLU HB2 2.500 . 2.900 2.295 2.204 2.585 . 0 0 "[ . 1 . 2]" 1
392 1 41 GLU HA 1 41 GLU HG3 4.000 . 6.000 2.417 2.321 2.530 . 0 0 "[ . 1 . 2]" 1
393 1 41 GLU HG3 1 42 GLY H 3.000 . 3.500 3.293 1.812 3.618 0.118 15 0 "[ . 1 . 2]" 1
394 1 41 GLU HA 1 42 GLY H 2.500 . 2.900 2.311 2.158 2.433 . 0 0 "[ . 1 . 2]" 1
395 1 41 GLU HB3 1 42 GLY H 3.000 . 3.500 2.927 2.628 3.534 0.034 7 0 "[ . 1 . 2]" 1
396 1 41 GLU HB2 1 42 GLY H 3.000 . 3.900 4.092 3.954 4.391 0.491 15 0 "[ . 1 . 2]" 1
397 1 41 GLU H 1 42 GLY H 4.000 . 6.000 4.540 4.449 4.590 . 0 0 "[ . 1 . 2]" 1
398 1 41 GLU HB2 1 73 SER HA 4.000 . 5.000 5.068 4.580 5.245 0.245 11 0 "[ . 1 . 2]" 1
399 1 41 GLU H 1 73 SER H 4.000 . 6.000 2.502 2.354 2.657 . 0 0 "[ . 1 . 2]" 1
400 1 42 GLY H 1 44 SER H 4.000 . 6.000 4.620 4.387 4.928 . 0 0 "[ . 1 . 2]" 1
401 1 42 GLY HA3 1 44 SER H 4.000 . 6.000 3.072 3.003 3.170 . 0 0 "[ . 1 . 2]" 1
402 1 42 GLY HA3 1 66 GLU HB3 4.000 . 6.000 6.029 5.936 6.148 0.148 14 0 "[ . 1 . 2]" 1
403 1 42 GLY HA2 1 71 GLU HA 4.000 . 5.400 5.481 5.349 5.608 0.208 10 0 "[ . 1 . 2]" 1
404 1 42 GLY HA2 1 71 GLU H 4.000 . 6.000 2.721 2.474 3.226 . 0 0 "[ . 1 . 2]" 1
405 1 42 GLY HA3 1 71 GLU H 4.000 . 5.000 3.679 3.334 3.920 . 0 0 "[ . 1 . 2]" 1
406 1 42 GLY HA3 1 71 GLU HB3 4.000 . 6.000 5.487 4.203 6.091 0.091 5 0 "[ . 1 . 2]" 1
407 1 42 GLY HA2 1 72 VAL H 4.000 . 6.400 6.594 6.486 6.702 0.302 20 0 "[ . 1 . 2]" 1
408 1 43 PRO HB2 1 43 PRO HD3 4.000 . 6.000 3.964 3.898 4.012 . 0 0 "[ . 1 . 2]" 1
409 1 43 PRO HB2 1 44 SER HA 4.000 . 6.000 4.691 4.518 4.752 . 0 0 "[ . 1 . 2]" 1
410 1 43 PRO HG3 1 44 SER H 4.000 . 6.000 4.773 4.265 4.993 . 0 0 "[ . 1 . 2]" 1
411 1 43 PRO HB2 1 70 TYR HA 4.000 . 6.000 5.995 5.431 6.175 0.175 7 0 "[ . 1 . 2]" 1
412 1 44 SER H 1 44 SER HB2 4.000 . 6.000 3.474 2.629 3.887 . 0 0 "[ . 1 . 2]" 1
413 1 44 SER H 1 44 SER HB3 4.000 . 6.000 3.143 2.501 3.838 . 0 0 "[ . 1 . 2]" 1
414 1 44 SER HA 1 45 LYS H 2.500 . 2.900 2.716 2.603 2.881 . 0 0 "[ . 1 . 2]" 1
415 1 44 SER HB3 1 45 LYS H 2.500 . 3.500 3.046 1.936 3.624 0.124 1 0 "[ . 1 . 2]" 1
416 1 44 SER H 1 45 LYS H 4.000 . 6.000 4.303 4.193 4.386 . 0 0 "[ . 1 . 2]" 1
417 1 44 SER HB2 1 45 LYS H 2.500 . 3.300 2.697 2.019 3.455 0.155 11 0 "[ . 1 . 2]" 1
418 1 44 SER H 1 45 LYS HA 4.000 . 5.000 5.034 4.924 5.136 0.136 18 0 "[ . 1 . 2]" 1
419 1 44 SER H 1 45 LYS HB3 4.000 . 6.300 6.459 6.349 6.562 0.262 10 0 "[ . 1 . 2]" 1
420 1 44 SER HB3 1 64 VAL HB 4.000 . 6.000 5.003 4.555 5.826 . 0 0 "[ . 1 . 2]" 1
421 1 44 SER HB2 1 65 GLN H 4.000 . 6.000 2.797 1.984 3.439 . 0 0 "[ . 1 . 2]" 1
422 1 44 SER HA 1 66 GLU H 3.000 . 4.300 4.469 4.397 4.555 0.255 17 0 "[ . 1 . 2]" 1
423 1 44 SER HB3 1 66 GLU H 4.000 . 5.000 2.358 2.146 2.762 . 0 0 "[ . 1 . 2]" 1
424 1 44 SER HB2 1 66 GLU H 4.000 . 6.000 2.408 2.202 2.793 . 0 0 "[ . 1 . 2]" 1
425 1 44 SER H 1 66 GLU H 4.000 . 5.000 4.962 4.800 5.054 0.054 2 0 "[ . 1 . 2]" 1
426 1 44 SER HB3 1 66 GLU HG3 4.000 . 6.000 5.079 4.102 6.214 0.214 17 0 "[ . 1 . 2]" 1
427 1 44 SER HB3 1 66 GLU HG2 4.000 . 6.000 4.765 4.063 6.141 0.141 11 0 "[ . 1 . 2]" 1
428 1 44 SER HB3 1 66 GLU HB3 4.000 . 6.000 2.964 2.286 3.879 . 0 0 "[ . 1 . 2]" 1
429 1 45 LYS H 1 45 LYS HB3 2.500 . 2.900 2.672 2.480 2.918 0.018 18 0 "[ . 1 . 2]" 1
430 1 45 LYS H 1 45 LYS HG3 3.000 . 4.300 3.979 2.608 4.460 0.160 17 0 "[ . 1 . 2]" 1
431 1 45 LYS HA 1 46 ALA H 2.500 . 2.900 2.836 2.811 2.861 . 0 0 "[ . 1 . 2]" 1
432 1 45 LYS HG3 1 46 ALA H 4.000 . 5.000 2.152 1.773 3.069 0.027 3 0 "[ . 1 . 2]" 1
433 1 45 LYS HB3 1 46 ALA H 3.000 . 4.400 2.938 2.415 3.528 . 0 0 "[ . 1 . 2]" 1
434 1 45 LYS H 1 46 ALA H 4.000 . 6.000 4.423 4.372 4.486 . 0 0 "[ . 1 . 2]" 1
435 1 45 LYS HG3 1 46 ALA HA 4.000 . 5.000 4.300 3.232 4.753 . 0 0 "[ . 1 . 2]" 1
436 1 45 LYS HA 1 46 ALA HA 4.000 . 5.000 4.789 4.775 4.805 . 0 0 "[ . 1 . 2]" 1
437 1 46 ALA H 1 46 ALA MB 2.500 . 3.400 2.897 2.891 2.906 . 0 0 "[ . 1 . 2]" 1
438 1 46 ALA H 1 47 GLU H 4.000 . 6.000 3.745 3.727 3.767 . 0 0 "[ . 1 . 2]" 1
439 1 46 ALA HA 1 47 GLU H 2.500 . 2.900 2.204 2.191 2.216 . 0 0 "[ . 1 . 2]" 1
440 1 46 ALA HA 1 47 GLU HA 4.000 . 5.000 4.494 4.482 4.505 . 0 0 "[ . 1 . 2]" 1
441 1 46 ALA MB 1 47 GLU H 3.000 . 4.000 3.367 3.356 3.373 . 0 0 "[ . 1 . 2]" 1
442 1 46 ALA HA 1 47 GLU HG2 4.000 . 6.000 4.971 3.672 5.837 . 0 0 "[ . 1 . 2]" 1
443 1 46 ALA H 1 64 VAL HA 4.000 . 6.000 5.202 4.946 5.404 . 0 0 "[ . 1 . 2]" 1
444 1 46 ALA H 1 64 VAL MG1 4.000 . 6.500 5.219 5.147 5.319 . 0 0 "[ . 1 . 2]" 1
445 1 46 ALA HA 1 64 VAL MG2 3.000 . 3.800 3.630 3.424 3.788 . 0 0 "[ . 1 . 2]" 1
446 1 46 ALA HA 1 64 VAL MG1 2.500 . 3.600 3.808 3.745 3.871 0.271 4 0 "[ . 1 . 2]" 1
447 1 46 ALA MB 1 64 VAL MG1 3.000 . 4.300 3.372 3.170 3.656 . 0 0 "[ . 1 . 2]" 1
448 1 47 GLU H 1 47 GLU HG3 4.000 . 6.000 3.274 2.359 3.994 . 0 0 "[ . 1 . 2]" 1
449 1 47 GLU H 1 47 GLU HB3 3.000 . 3.500 3.545 3.060 3.614 0.114 10 0 "[ . 1 . 2]" 1
450 1 47 GLU H 1 47 GLU HB2 4.000 . 5.000 2.513 2.302 3.589 . 0 0 "[ . 1 . 2]" 1
451 1 47 GLU HA 1 47 GLU HG2 4.000 . 6.000 2.827 2.357 3.651 . 0 0 "[ . 1 . 2]" 1
452 1 47 GLU H 1 48 ILE H 4.000 . 6.000 4.426 4.227 4.585 . 0 0 "[ . 1 . 2]" 1
453 1 47 GLU HB3 1 48 ILE H 4.000 . 6.000 3.627 3.097 4.288 . 0 0 "[ . 1 . 2]" 1
454 1 47 GLU HA 1 48 ILE H 2.500 . 2.900 2.200 2.165 2.257 . 0 0 "[ . 1 . 2]" 1
455 1 47 GLU H 1 63 VAL HB 4.000 . 5.000 3.408 2.997 3.823 . 0 0 "[ . 1 . 2]" 1
456 1 47 GLU H 1 64 VAL MG1 4.000 . 6.500 5.495 5.403 5.638 . 0 0 "[ . 1 . 2]" 1
457 1 48 ILE H 1 48 ILE HB 2.500 . 2.900 2.595 2.378 2.830 . 0 0 "[ . 1 . 2]" 1
458 1 48 ILE H 1 48 ILE HG12 4.000 . 6.000 3.868 1.991 4.702 . 0 0 "[ . 1 . 2]" 1
459 1 48 ILE H 1 48 ILE MD 4.000 . 6.500 3.736 1.780 4.451 0.020 1 0 "[ . 1 . 2]" 1
460 1 48 ILE HA 1 49 SER H 4.000 . 6.000 2.242 2.190 2.350 . 0 0 "[ . 1 . 2]" 1
461 1 48 ILE MG 1 49 SER H 4.000 . 6.500 2.996 1.962 4.086 . 0 0 "[ . 1 . 2]" 1
462 1 48 ILE HA 1 62 TYR HA 4.000 . 6.000 3.769 3.287 4.033 . 0 0 "[ . 1 . 2]" 1
463 1 49 SER HA 1 50 PHE H 4.000 . 6.000 2.212 2.184 2.361 . 0 0 "[ . 1 . 2]" 1
464 1 49 SER HB3 1 50 PHE HB2 4.000 . 6.000 5.648 5.338 6.056 0.056 14 0 "[ . 1 . 2]" 1
465 1 49 SER H 1 61 ALA H 4.000 . 6.000 3.263 2.818 3.795 . 0 0 "[ . 1 . 2]" 1
466 1 49 SER H 1 61 ALA MB 4.000 . 6.500 4.471 4.033 4.762 . 0 0 "[ . 1 . 2]" 1
467 1 50 PHE HA 1 51 GLU H 4.000 . 5.000 2.296 2.186 2.475 . 0 0 "[ . 1 . 2]" 1
468 1 50 PHE HB2 1 51 GLU H 4.000 . 5.000 4.015 3.416 4.528 . 0 0 "[ . 1 . 2]" 1
469 1 50 PHE H 1 51 GLU HA 4.000 . 6.000 5.212 4.758 5.421 . 0 0 "[ . 1 . 2]" 1
470 1 51 GLU H 1 51 GLU HG2 4.000 . 5.000 2.628 1.804 3.805 . 0 0 "[ . 1 . 2]" 1
471 1 51 GLU H 1 51 GLU HB2 4.000 . 5.000 3.387 2.341 3.981 . 0 0 "[ . 1 . 2]" 1
472 1 51 GLU H 1 51 GLU HG3 3.000 . 3.500 2.838 2.195 3.451 . 0 0 "[ . 1 . 2]" 1
473 1 51 GLU H 1 51 GLU HB3 3.000 . 3.500 3.440 2.969 3.680 0.180 8 0 "[ . 1 . 2]" 1
474 1 51 GLU HA 1 51 GLU HG2 4.000 . 6.000 3.228 2.337 3.700 . 0 0 "[ . 1 . 2]" 1
475 1 51 GLU H 1 59 GLY HA2 4.000 . 6.000 5.744 5.498 5.912 . 0 0 "[ . 1 . 2]" 1
476 1 51 GLU HG3 1 59 GLY HA3 4.000 . 6.000 4.967 3.522 6.014 0.014 13 0 "[ . 1 . 2]" 1
477 1 51 GLU H 1 60 VAL H 4.000 . 6.000 5.305 4.900 5.654 . 0 0 "[ . 1 . 2]" 1
478 1 51 GLU HG2 1 61 ALA MB 4.000 . 6.500 3.608 2.653 4.609 . 0 0 "[ . 1 . 2]" 1
479 1 52 ASP H 1 52 ASP HB2 4.000 . 6.000 3.184 2.444 3.711 . 0 0 "[ . 1 . 2]" 1
480 1 52 ASP H 1 52 ASP HB3 4.000 . 5.000 3.119 2.448 3.703 . 0 0 "[ . 1 . 2]" 1
481 1 53 ARG H 1 53 ARG HG3 4.000 . 6.000 3.850 2.800 4.810 . 0 0 "[ . 1 . 2]" 1
482 1 53 ARG H 1 53 ARG HD3 4.000 . 6.000 5.220 3.238 5.921 . 0 0 "[ . 1 . 2]" 1
483 1 53 ARG H 1 53 ARG HB3 4.000 . 6.000 3.647 3.016 3.934 . 0 0 "[ . 1 . 2]" 1
484 1 53 ARG HA 1 54 LYS H 4.000 . 6.000 2.418 2.295 2.516 . 0 0 "[ . 1 . 2]" 1
485 1 53 ARG HA 1 54 LYS HG2 4.000 . 6.000 4.182 3.836 5.539 . 0 0 "[ . 1 . 2]" 1
486 1 53 ARG HB3 1 55 ASP HB3 4.000 . 6.000 4.532 3.524 5.452 . 0 0 "[ . 1 . 2]" 1
487 1 53 ARG H 1 56 GLY HA2 2.500 . 2.900 2.876 2.728 2.939 0.039 10 0 "[ . 1 . 2]" 1
488 1 53 ARG HB3 1 56 GLY HA2 4.000 . 6.000 5.046 3.559 5.923 . 0 0 "[ . 1 . 2]" 1
489 1 54 LYS HA 1 54 LYS HG3 4.000 . 6.000 3.698 2.819 3.799 . 0 0 "[ . 1 . 2]" 1
490 1 54 LYS HA 1 54 LYS HG2 4.000 . 6.000 3.606 3.317 3.789 . 0 0 "[ . 1 . 2]" 1
491 1 54 LYS H 1 54 LYS HB3 4.000 . 6.000 2.863 2.450 3.603 . 0 0 "[ . 1 . 2]" 1
492 1 54 LYS HE3 1 54 LYS HG3 4.000 . 6.000 3.155 2.359 4.254 . 0 0 "[ . 1 . 2]" 1
493 1 54 LYS HA 1 54 LYS HE3 4.000 . 6.000 5.384 4.507 6.008 0.008 16 0 "[ . 1 . 2]" 1
494 1 54 LYS H 1 54 LYS HB2 4.000 . 6.000 3.425 2.757 3.630 . 0 0 "[ . 1 . 2]" 1
495 1 54 LYS HB3 1 54 LYS HD2 4.000 . 5.000 3.067 2.391 4.260 . 0 0 "[ . 1 . 2]" 1
496 1 54 LYS HA 1 55 ASP HA 4.000 . 6.000 4.730 4.696 4.836 . 0 0 "[ . 1 . 2]" 1
497 1 54 LYS HB3 1 55 ASP H 4.000 . 6.000 3.957 3.413 4.203 . 0 0 "[ . 1 . 2]" 1
498 1 54 LYS HA 1 55 ASP H 4.000 . 6.000 3.538 3.476 3.588 . 0 0 "[ . 1 . 2]" 1
499 1 54 LYS HB3 1 55 ASP HA 4.000 . 6.000 5.435 4.586 5.704 . 0 0 "[ . 1 . 2]" 1
500 1 54 LYS HG2 1 55 ASP HB2 4.000 . 6.000 4.789 3.580 6.100 0.100 18 0 "[ . 1 . 2]" 1
501 1 54 LYS HA 1 56 GLY H 4.000 . 6.000 3.859 3.669 4.213 . 0 0 "[ . 1 . 2]" 1
502 1 54 LYS HB2 1 56 GLY H 4.000 . 6.000 5.062 4.356 5.506 . 0 0 "[ . 1 . 2]" 1
503 1 55 ASP H 1 55 ASP HB2 4.000 . 6.000 2.471 2.333 2.658 . 0 0 "[ . 1 . 2]" 1
504 1 55 ASP HB3 1 56 GLY HA3 4.000 . 5.000 4.955 4.813 5.010 0.010 8 0 "[ . 1 . 2]" 1
505 1 55 ASP H 1 56 GLY H 4.000 . 6.000 2.484 2.364 2.758 . 0 0 "[ . 1 . 2]" 1
506 1 56 GLY HA3 1 57 SER H 4.000 . 6.000 3.446 3.143 3.505 . 0 0 "[ . 1 . 2]" 1
507 1 56 GLY H 1 57 SER HB3 4.000 . 6.000 5.100 4.384 6.006 0.006 3 0 "[ . 1 . 2]" 1
508 1 59 GLY HA2 1 60 VAL MG1 4.000 . 6.500 5.062 3.603 5.537 . 0 0 "[ . 1 . 2]" 1
509 1 59 GLY HA2 1 60 VAL H 4.000 . 6.000 2.251 2.158 2.672 . 0 0 "[ . 1 . 2]" 1
510 1 59 GLY HA2 1 60 VAL HB 4.000 . 6.000 4.805 4.362 5.731 . 0 0 "[ . 1 . 2]" 1
511 1 59 GLY H 1 60 VAL HA 4.000 . 6.000 5.008 4.935 5.163 . 0 0 "[ . 1 . 2]" 1
512 1 60 VAL H 1 60 VAL HB 4.000 . 6.000 2.777 2.415 3.585 . 0 0 "[ . 1 . 2]" 1
513 1 60 VAL H 1 60 VAL MG2 4.000 . 6.500 2.559 1.793 3.936 0.007 15 0 "[ . 1 . 2]" 1
514 1 60 VAL HA 1 61 ALA MB 2.500 . 3.900 3.863 3.818 3.917 0.017 16 0 "[ . 1 . 2]" 1
515 1 61 ALA HA 1 72 VAL MG1 4.000 . 6.500 6.535 6.258 6.619 0.119 9 0 "[ . 1 . 2]" 1
516 1 62 TYR H 1 62 TYR HD1 4.000 . 6.000 3.224 2.226 5.376 . 0 0 "[ . 1 . 2]" 1
517 1 62 TYR HA 1 63 VAL H 2.500 . 2.900 2.287 2.182 2.453 . 0 0 "[ . 1 . 2]" 1
518 1 62 TYR H 1 63 VAL H 4.000 . 6.000 4.313 4.176 4.405 . 0 0 "[ . 1 . 2]" 1
519 1 62 TYR HB3 1 63 VAL H 4.000 . 5.000 3.711 3.223 4.116 . 0 0 "[ . 1 . 2]" 1
520 1 63 VAL H 1 63 VAL MG1 2.500 . 3.800 3.803 3.779 3.826 0.026 12 0 "[ . 1 . 2]" 1
521 1 63 VAL H 1 63 VAL HB 4.000 . 5.000 2.516 2.418 2.832 . 0 0 "[ . 1 . 2]" 1
522 1 63 VAL H 1 64 VAL H 4.000 . 6.000 4.600 4.464 4.634 . 0 0 "[ . 1 . 2]" 1
523 1 63 VAL MG1 1 64 VAL H 2.500 . 3.400 1.976 1.842 2.835 . 0 0 "[ . 1 . 2]" 1
524 1 63 VAL HB 1 64 VAL H 4.000 . 6.000 3.727 3.395 4.350 . 0 0 "[ . 1 . 2]" 1
525 1 63 VAL HA 1 64 VAL H 2.500 . 2.900 2.379 2.203 2.425 . 0 0 "[ . 1 . 2]" 1
526 1 63 VAL H 1 64 VAL HA 4.000 . 6.000 5.185 5.025 5.265 . 0 0 "[ . 1 . 2]" 1
527 1 63 VAL H 1 64 VAL MG1 4.000 . 6.500 5.840 5.728 5.941 . 0 0 "[ . 1 . 2]" 1
528 1 64 VAL H 1 64 VAL MG2 2.500 . 3.400 2.482 2.011 2.605 . 0 0 "[ . 1 . 2]" 1
529 1 64 VAL H 1 64 VAL MG1 3.000 . 4.000 4.007 3.829 4.028 0.028 15 0 "[ . 1 . 2]" 1
530 1 64 VAL H 1 64 VAL HB 4.000 . 6.000 3.153 3.022 3.220 . 0 0 "[ . 1 . 2]" 1
531 1 64 VAL HA 1 65 GLN HA 4.000 . 6.000 4.457 4.441 4.475 . 0 0 "[ . 1 . 2]" 1
532 1 64 VAL H 1 65 GLN HA 4.000 . 5.000 4.697 4.644 5.059 0.059 4 0 "[ . 1 . 2]" 1
533 1 64 VAL H 1 65 GLN H 4.000 . 6.000 4.409 4.367 4.569 . 0 0 "[ . 1 . 2]" 1
534 1 64 VAL MG1 1 65 GLN H 3.000 . 4.000 2.268 1.867 2.491 . 0 0 "[ . 1 . 2]" 1
535 1 64 VAL HA 1 65 GLN H 2.500 . 2.900 2.332 2.284 2.401 . 0 0 "[ . 1 . 2]" 1
536 1 64 VAL MG2 1 65 GLN H 4.000 . 5.500 4.217 4.067 4.296 . 0 0 "[ . 1 . 2]" 1
537 1 64 VAL HB 1 65 GLN H 4.000 . 6.000 3.514 3.382 3.632 . 0 0 "[ . 1 . 2]" 1
538 1 64 VAL HA 1 66 GLU H 3.000 . 4.100 4.139 4.086 4.208 0.108 7 0 "[ . 1 . 2]" 1
539 1 64 VAL MG1 1 66 GLU H 4.000 . 6.500 2.423 2.112 2.608 . 0 0 "[ . 1 . 2]" 1
540 1 64 VAL MG2 1 66 GLU H 4.000 . 5.500 4.983 4.879 5.041 . 0 0 "[ . 1 . 2]" 1
541 1 64 VAL HB 1 66 GLU H 2.500 . 3.800 3.901 3.841 3.960 0.160 17 0 "[ . 1 . 2]" 1
542 1 64 VAL MG2 1 66 GLU HB2 4.000 . 6.500 6.583 6.477 6.683 0.183 13 0 "[ . 1 . 2]" 1
543 1 64 VAL MG2 1 90 VAL MG1 4.000 . 6.000 4.640 4.533 4.814 . 0 0 "[ . 1 . 2]" 1
544 1 64 VAL MG2 1 90 VAL MG2 2.500 . 3.700 3.172 2.809 3.511 . 0 0 "[ . 1 . 2]" 1
545 1 65 GLN H 1 65 GLN HB2 2.500 . 2.900 2.353 2.307 2.414 . 0 0 "[ . 1 . 2]" 1
546 1 65 GLN H 1 65 GLN HB3 2.500 . 3.600 3.625 3.600 3.659 0.059 7 0 "[ . 1 . 2]" 1
547 1 65 GLN H 1 65 GLN HG3 2.500 . 2.900 2.948 2.907 2.992 0.092 7 0 "[ . 1 . 2]" 1
548 1 65 GLN HA 1 65 GLN HG3 4.000 . 6.000 2.831 2.736 2.906 . 0 0 "[ . 1 . 2]" 1
549 1 65 GLN HA 1 66 GLU HA 4.000 . 6.000 4.689 4.669 4.710 . 0 0 "[ . 1 . 2]" 1
550 1 65 GLN H 1 66 GLU H 2.500 . 2.900 2.132 2.019 2.251 . 0 0 "[ . 1 . 2]" 1
551 1 65 GLN HB2 1 66 GLU H 2.500 . 2.900 2.979 2.934 3.023 0.123 12 0 "[ . 1 . 2]" 1
552 1 65 GLN HA 1 66 GLU H 4.000 . 5.000 3.504 3.484 3.533 . 0 0 "[ . 1 . 2]" 1
553 1 65 GLN HB3 1 66 GLU H 2.500 . 3.500 3.749 3.725 3.771 0.271 18 0 "[ . 1 . 2]" 1
554 1 65 GLN HA 1 67 PRO HD3 3.000 . 4.700 4.867 4.809 4.908 0.208 14 0 "[ . 1 . 2]" 1
555 1 66 GLU H 1 66 GLU HB3 2.500 . 3.500 2.607 2.546 2.670 . 0 0 "[ . 1 . 2]" 1
556 1 66 GLU H 1 66 GLU HB2 2.500 . 2.900 2.545 2.490 2.612 . 0 0 "[ . 1 . 2]" 1
557 1 66 GLU H 1 66 GLU HG2 3.000 . 4.600 4.630 4.441 4.699 0.099 2 0 "[ . 1 . 2]" 1
558 1 66 GLU H 1 66 GLU HG3 3.000 . 4.500 4.517 4.473 4.658 0.158 11 0 "[ . 1 . 2]" 1
559 1 67 PRO HB3 1 67 PRO HD3 4.000 . 5.000 3.103 3.074 3.133 . 0 0 "[ . 1 . 2]" 1
560 1 68 GLY H 1 69 ASP H 4.000 . 6.000 4.300 4.255 4.337 . 0 0 "[ . 1 . 2]" 1
561 1 68 GLY HA3 1 69 ASP H 2.500 . 2.900 2.235 2.222 2.252 . 0 0 "[ . 1 . 2]" 1
562 1 68 GLY HA2 1 69 ASP H 2.500 . 3.300 3.077 3.059 3.098 . 0 0 "[ . 1 . 2]" 1
563 1 68 GLY H 1 70 TYR QD 4.000 . 6.000 5.263 4.640 5.963 . 0 0 "[ . 1 . 2]" 1
564 1 68 GLY HA2 1 89 PRO HB3 4.000 . 6.000 5.977 5.698 6.161 0.161 1 0 "[ . 1 . 2]" 1
565 1 68 GLY H 1 90 VAL H 3.000 . 3.500 3.641 3.522 3.702 0.202 11 0 "[ . 1 . 2]" 1
566 1 68 GLY HA3 1 90 VAL H 4.000 . 6.000 5.040 4.845 5.141 . 0 0 "[ . 1 . 2]" 1
567 1 68 GLY H 1 90 VAL HB 2.500 . 2.900 2.895 2.702 3.019 0.119 12 0 "[ . 1 . 2]" 1
568 1 68 GLY H 1 90 VAL MG2 3.000 . 4.000 4.142 4.049 4.203 0.203 4 0 "[ . 1 . 2]" 1
569 1 68 GLY H 1 90 VAL MG1 4.000 . 5.500 1.723 1.642 1.770 0.158 10 0 "[ . 1 . 2]" 1
570 1 68 GLY H 1 91 ALA H 4.000 . 6.000 5.578 5.502 5.651 . 0 0 "[ . 1 . 2]" 1
571 1 69 ASP H 1 69 ASP HB2 2.500 . 2.900 2.455 2.319 2.827 . 0 0 "[ . 1 . 2]" 1
572 1 69 ASP H 1 69 ASP HB3 2.500 . 3.600 3.665 3.598 3.810 0.210 10 0 "[ . 1 . 2]" 1
573 1 69 ASP HA 1 70 TYR HB2 4.000 . 6.000 5.476 4.588 5.842 . 0 0 "[ . 1 . 2]" 1
574 1 69 ASP HA 1 70 TYR H 2.500 . 2.900 2.197 2.139 2.250 . 0 0 "[ . 1 . 2]" 1
575 1 69 ASP HA 1 70 TYR HA 4.000 . 6.000 4.480 4.459 4.507 . 0 0 "[ . 1 . 2]" 1
576 1 69 ASP H 1 70 TYR H 4.000 . 6.000 4.233 4.059 4.382 . 0 0 "[ . 1 . 2]" 1
577 1 69 ASP HB3 1 70 TYR H 2.500 . 3.700 3.784 3.691 3.849 0.149 10 0 "[ . 1 . 2]" 1
578 1 69 ASP HA 1 90 VAL H 4.000 . 5.000 2.639 2.205 2.840 . 0 0 "[ . 1 . 2]" 1
579 1 69 ASP HB2 1 90 VAL H 4.000 . 5.400 5.491 5.017 5.701 0.301 20 0 "[ . 1 . 2]" 1
580 1 69 ASP HA 1 90 VAL HB 4.000 . 6.000 4.172 3.552 4.494 . 0 0 "[ . 1 . 2]" 1
581 1 69 ASP H 1 90 VAL H 4.000 . 6.000 4.642 4.316 4.760 . 0 0 "[ . 1 . 2]" 1
582 1 70 TYR H 1 70 TYR HB3 2.500 . 2.900 2.739 2.360 3.053 0.153 12 0 "[ . 1 . 2]" 1
583 1 70 TYR H 1 70 TYR HB2 2.500 . 3.600 3.447 2.636 3.756 0.156 1 0 "[ . 1 . 2]" 1
584 1 70 TYR H 1 70 TYR QD 4.000 . 6.000 2.712 1.692 4.267 0.108 13 0 "[ . 1 . 2]" 1
585 1 70 TYR QE 1 71 GLU HA 4.000 . 5.000 4.755 4.354 5.013 0.013 19 0 "[ . 1 . 2]" 1
586 1 70 TYR H 1 71 GLU HB3 4.000 . 6.000 6.142 5.905 6.276 0.276 10 0 "[ . 1 . 2]" 1
587 1 70 TYR HB2 1 71 GLU H 2.500 . 3.600 2.761 2.060 3.836 0.236 2 0 "[ . 1 . 2]" 1
588 1 70 TYR HB3 1 71 GLU H 4.000 . 5.000 3.627 3.055 4.314 . 0 0 "[ . 1 . 2]" 1
589 1 70 TYR HA 1 71 GLU H 2.500 . 2.900 2.693 2.453 2.756 . 0 0 "[ . 1 . 2]" 1
590 1 70 TYR H 1 88 VAL H 4.000 . 5.000 4.391 3.784 5.140 0.140 4 0 "[ . 1 . 2]" 1
591 1 70 TYR H 1 90 VAL MG1 3.000 . 4.800 4.923 4.826 5.091 0.291 12 0 "[ . 1 . 2]" 1
592 1 70 TYR H 1 90 VAL MG2 4.000 . 6.500 4.284 3.954 4.790 . 0 0 "[ . 1 . 2]" 1
593 1 70 TYR QD 1 90 VAL HB 4.000 . 6.000 3.269 2.359 4.520 . 0 0 "[ . 1 . 2]" 1
594 1 71 GLU HA 1 71 GLU HG3 4.000 . 5.000 2.622 2.492 3.305 . 0 0 "[ . 1 . 2]" 1
595 1 71 GLU H 1 71 GLU HG3 4.000 . 5.000 4.688 4.434 4.786 . 0 0 "[ . 1 . 2]" 1
596 1 71 GLU H 1 71 GLU HB3 2.500 . 2.900 2.816 2.583 2.963 0.063 7 0 "[ . 1 . 2]" 1
597 1 71 GLU HB3 1 72 VAL H 4.000 . 5.000 4.178 3.952 4.449 . 0 0 "[ . 1 . 2]" 1
598 1 71 GLU HA 1 72 VAL H 2.500 . 2.900 2.203 2.145 2.256 . 0 0 "[ . 1 . 2]" 1
599 1 71 GLU H 1 72 VAL H 4.000 . 6.000 4.289 3.949 4.420 . 0 0 "[ . 1 . 2]" 1
600 1 71 GLU HG3 1 72 VAL MG2 4.000 . 5.500 4.195 3.477 4.893 . 0 0 "[ . 1 . 2]" 1
601 1 71 GLU HG3 1 72 VAL MG1 4.000 . 6.500 5.158 4.567 5.675 . 0 0 "[ . 1 . 2]" 1
602 1 71 GLU HA 1 73 SER H 4.000 . 6.000 5.850 5.507 6.049 0.049 13 0 "[ . 1 . 2]" 1
603 1 71 GLU HG2 1 85 PRO HB2 4.000 . 6.000 4.161 3.383 6.019 0.019 19 0 "[ . 1 . 2]" 1
604 1 71 GLU HA 1 87 VAL HA 4.000 . 5.000 3.252 2.541 3.666 . 0 0 "[ . 1 . 2]" 1
605 1 71 GLU HG3 1 87 VAL MG1 4.000 . 6.500 5.025 3.862 6.517 0.017 8 0 "[ . 1 . 2]" 1
606 1 71 GLU HB3 1 87 VAL HA 4.000 . 6.000 5.031 4.177 5.825 . 0 0 "[ . 1 . 2]" 1
607 1 71 GLU HA 1 87 VAL MG2 4.000 . 6.500 4.679 3.735 5.414 . 0 0 "[ . 1 . 2]" 1
608 1 71 GLU HA 1 88 VAL H 4.000 . 6.000 2.980 2.131 3.795 . 0 0 "[ . 1 . 2]" 1
609 1 72 VAL H 1 72 VAL MG2 4.000 . 6.500 2.213 1.771 3.017 0.029 9 0 "[ . 1 . 2]" 1
610 1 72 VAL H 1 72 VAL HB 3.000 . 3.500 3.301 2.501 3.746 0.246 13 0 "[ . 1 . 2]" 1
611 1 72 VAL H 1 73 SER H 4.000 . 6.000 4.239 3.784 4.409 . 0 0 "[ . 1 . 2]" 1
612 1 72 VAL H 1 73 SER HA 3.000 . 4.700 4.742 4.408 4.912 0.212 9 0 "[ . 1 . 2]" 1
613 1 72 VAL MG1 1 73 SER H 4.000 . 6.500 3.626 2.824 4.242 . 0 0 "[ . 1 . 2]" 1
614 1 72 VAL HB 1 74 VAL HA 4.000 . 6.000 5.810 5.371 6.186 0.186 10 0 "[ . 1 . 2]" 1
615 1 72 VAL H 1 86 PHE H 4.000 . 5.000 4.738 4.215 5.055 0.055 1 0 "[ . 1 . 2]" 1
616 1 72 VAL H 1 87 VAL HA 4.000 . 6.000 4.062 3.656 4.436 . 0 0 "[ . 1 . 2]" 1
617 1 72 VAL H 1 88 VAL H 4.000 . 6.000 4.381 3.552 5.115 . 0 0 "[ . 1 . 2]" 1
618 1 72 VAL H 1 88 VAL MG2 2.500 . 3.400 2.909 2.119 3.436 0.036 12 0 "[ . 1 . 2]" 1
619 1 72 VAL HB 1 88 VAL MG2 4.000 . 6.500 3.933 2.673 5.160 . 0 0 "[ . 1 . 2]" 1
620 1 73 SER H 1 73 SER HB2 4.000 . 6.000 3.060 2.317 3.623 . 0 0 "[ . 1 . 2]" 1
621 1 73 SER HA 1 74 VAL MG1 3.000 . 3.800 3.782 3.447 3.912 0.112 7 0 "[ . 1 . 2]" 1
622 1 73 SER HA 1 74 VAL H 2.500 . 2.900 2.327 2.191 2.551 . 0 0 "[ . 1 . 2]" 1
623 1 73 SER HB3 1 74 VAL H 4.000 . 6.000 3.461 2.585 4.474 . 0 0 "[ . 1 . 2]" 1
624 1 73 SER HA 1 74 VAL MG2 4.000 . 6.500 3.323 3.115 3.586 . 0 0 "[ . 1 . 2]" 1
625 1 73 SER HB2 1 75 LYS HE3 4.000 . 6.000 5.989 5.467 6.132 0.132 14 0 "[ . 1 . 2]" 1
626 1 73 SER HA 1 84 SER QB 4.000 . 6.000 5.251 4.616 5.741 . 0 0 "[ . 1 . 2]" 1
627 1 73 SER HA 1 85 PRO HA 4.000 . 5.000 3.677 3.462 4.269 . 0 0 "[ . 1 . 2]" 1
628 1 73 SER HA 1 85 PRO HB3 4.000 . 5.000 2.697 2.333 3.364 . 0 0 "[ . 1 . 2]" 1
629 1 73 SER HA 1 85 PRO HB2 4.000 . 5.000 3.865 2.967 4.502 . 0 0 "[ . 1 . 2]" 1
630 1 73 SER HA 1 86 PHE H 4.000 . 5.000 3.627 2.620 4.907 . 0 0 "[ . 1 . 2]" 1
631 1 74 VAL H 1 74 VAL MG2 4.000 . 5.500 2.002 1.759 2.264 0.041 3 0 "[ . 1 . 2]" 1
632 1 74 VAL MG2 1 75 LYS H 3.000 . 4.300 4.123 3.872 4.311 0.011 16 0 "[ . 1 . 2]" 1
633 1 74 VAL HA 1 80 HIS HA 4.000 . 5.900 5.839 5.577 5.947 0.047 16 0 "[ . 1 . 2]" 1
634 1 74 VAL H 1 80 HIS HA 4.000 . 6.000 4.989 4.723 5.321 . 0 0 "[ . 1 . 2]" 1
635 1 74 VAL HB 1 81 ILE MD 4.000 . 6.500 2.517 2.081 3.241 . 0 0 "[ . 1 . 2]" 1
636 1 74 VAL H 1 84 SER QB 4.000 . 6.000 4.014 3.445 4.408 . 0 0 "[ . 1 . 2]" 1
637 1 74 VAL H 1 85 PRO HA 4.000 . 5.000 3.526 2.874 4.047 . 0 0 "[ . 1 . 2]" 1
638 1 74 VAL H 1 85 PRO HB3 4.000 . 6.000 3.769 3.088 4.252 . 0 0 "[ . 1 . 2]" 1
639 1 74 VAL MG2 1 85 PRO HG3 4.000 . 5.500 5.268 4.611 5.612 0.112 13 0 "[ . 1 . 2]" 1
640 1 74 VAL HB 1 86 PHE HE2 4.000 . 6.000 4.968 3.408 6.090 0.090 10 0 "[ . 1 . 2]" 1
641 1 75 LYS H 1 75 LYS HB3 2.500 . 3.500 3.664 3.182 3.872 0.372 13 0 "[ . 1 . 2]" 1
642 1 75 LYS H 1 75 LYS HE2 4.000 . 6.000 5.090 4.278 6.091 0.091 16 0 "[ . 1 . 2]" 1
643 1 75 LYS HA 1 75 LYS HE2 4.000 . 6.000 4.804 4.530 5.791 . 0 0 "[ . 1 . 2]" 1
644 1 75 LYS HE3 1 76 PHE HA 4.000 . 6.400 6.490 6.254 6.665 0.265 14 0 "[ . 1 . 2]" 1
645 1 75 LYS HB3 1 76 PHE H 4.000 . 6.000 3.144 2.552 3.731 . 0 0 "[ . 1 . 2]" 1
646 1 75 LYS HB3 1 79 GLU H 3.000 . 4.200 3.530 2.679 4.319 0.119 5 0 "[ . 1 . 2]" 1
647 1 75 LYS HG2 1 80 HIS HA 3.000 . 4.100 2.619 2.314 3.291 . 0 0 "[ . 1 . 2]" 1
648 1 75 LYS H 1 80 HIS HA 3.000 . 5.000 4.981 4.740 5.095 0.095 11 0 "[ . 1 . 2]" 1
649 1 75 LYS HE2 1 80 HIS H 4.000 . 6.000 5.921 5.040 6.106 0.106 20 0 "[ . 1 . 2]" 1
650 1 76 PHE H 1 76 PHE HB3 4.000 . 5.000 2.724 2.504 2.974 . 0 0 "[ . 1 . 2]" 1
651 1 76 PHE H 1 76 PHE HB2 4.000 . 6.000 3.227 2.975 3.438 . 0 0 "[ . 1 . 2]" 1
652 1 76 PHE HA 1 77 ASN H 2.500 . 2.900 2.215 2.187 2.257 . 0 0 "[ . 1 . 2]" 1
653 1 76 PHE HB3 1 77 ASN HA 4.000 . 6.400 5.829 5.641 6.002 . 0 0 "[ . 1 . 2]" 1
654 1 76 PHE HZ 1 77 ASN HB2 4.000 . 6.000 5.005 4.115 5.989 . 0 0 "[ . 1 . 2]" 1
655 1 76 PHE HZ 1 77 ASN HB3 4.000 . 6.000 5.967 5.569 6.064 0.064 19 0 "[ . 1 . 2]" 1
656 1 76 PHE H 1 79 GLU H 2.500 . 3.300 2.373 2.087 2.702 . 0 0 "[ . 1 . 2]" 1
657 1 76 PHE H 1 79 GLU HB2 4.000 . 6.000 3.494 3.066 4.124 . 0 0 "[ . 1 . 2]" 1
658 1 76 PHE H 1 80 HIS HA 3.000 . 4.000 3.803 3.565 3.973 . 0 0 "[ . 1 . 2]" 1
659 1 76 PHE H 1 81 ILE MG 2.500 . 3.400 3.214 2.732 3.468 0.068 11 0 "[ . 1 . 2]" 1
660 1 76 PHE HB2 1 81 ILE MG 4.000 . 6.500 3.040 2.359 3.471 . 0 0 "[ . 1 . 2]" 1
661 1 76 PHE H 1 81 ILE H 4.000 . 6.000 3.715 3.298 4.035 . 0 0 "[ . 1 . 2]" 1
662 1 77 ASN HA 1 77 ASN HD21 4.000 . 5.000 3.580 2.181 4.496 . 0 0 "[ . 1 . 2]" 1
663 1 77 ASN HA 1 77 ASN HD22 4.000 . 5.000 4.157 3.466 4.795 . 0 0 "[ . 1 . 2]" 1
664 1 77 ASN H 1 77 ASN HB3 4.000 . 6.000 3.935 3.526 4.111 . 0 0 "[ . 1 . 2]" 1
665 1 77 ASN HA 1 78 GLU HB2 4.000 . 5.000 4.042 3.907 4.130 . 0 0 "[ . 1 . 2]" 1
666 1 77 ASN HA 1 78 GLU H 3.000 . 3.500 2.955 2.763 3.056 . 0 0 "[ . 1 . 2]" 1
667 1 77 ASN H 1 79 GLU H 4.000 . 6.000 4.236 3.976 4.358 . 0 0 "[ . 1 . 2]" 1
668 1 77 ASN HB3 1 79 GLU HG3 4.000 . 6.000 3.718 3.133 4.704 . 0 0 "[ . 1 . 2]" 1
669 1 77 ASN HB2 1 79 GLU HG3 4.000 . 6.000 3.954 3.263 5.155 . 0 0 "[ . 1 . 2]" 1
670 1 78 GLU HA 1 78 GLU HG2 4.000 . 6.000 2.897 2.323 3.641 . 0 0 "[ . 1 . 2]" 1
671 1 78 GLU HA 1 78 GLU HG3 4.000 . 6.000 2.848 2.532 3.604 . 0 0 "[ . 1 . 2]" 1
672 1 78 GLU H 1 78 GLU HG2 4.000 . 6.000 4.793 4.217 5.393 . 0 0 "[ . 1 . 2]" 1
673 1 78 GLU H 1 78 GLU HG3 4.000 . 6.000 4.736 4.406 5.272 . 0 0 "[ . 1 . 2]" 1
674 1 78 GLU HA 1 79 GLU H 4.000 . 5.000 2.932 2.852 3.168 . 0 0 "[ . 1 . 2]" 1
675 1 78 GLU HA 1 79 GLU HG3 4.000 . 5.000 4.529 4.462 4.963 . 0 0 "[ . 1 . 2]" 1
676 1 78 GLU H 1 79 GLU H 2.500 . 2.900 2.585 2.425 2.716 . 0 0 "[ . 1 . 2]" 1
677 1 79 GLU H 1 79 GLU HB3 2.500 . 3.700 3.791 3.697 3.838 0.138 5 0 "[ . 1 . 2]" 1
678 1 79 GLU H 1 79 GLU HB2 2.500 . 3.700 2.632 2.469 2.713 . 0 0 "[ . 1 . 2]" 1
679 1 79 GLU H 1 79 GLU HG3 2.500 . 2.900 2.932 2.830 2.995 0.095 2 0 "[ . 1 . 2]" 1
680 1 79 GLU H 1 79 GLU HG2 3.000 . 4.100 4.173 4.121 4.212 0.112 2 0 "[ . 1 . 2]" 1
681 1 79 GLU HA 1 79 GLU HG2 4.000 . 6.000 2.607 2.551 2.639 . 0 0 "[ . 1 . 2]" 1
682 1 79 GLU HA 1 79 GLU HG3 4.000 . 6.000 2.820 2.720 2.900 . 0 0 "[ . 1 . 2]" 1
683 1 79 GLU H 1 80 HIS HA 4.000 . 5.000 4.637 4.493 4.909 . 0 0 "[ . 1 . 2]" 1
684 1 79 GLU H 1 80 HIS H 4.000 . 6.000 3.903 3.704 4.245 . 0 0 "[ . 1 . 2]" 1
685 1 79 GLU HG3 1 80 HIS H 3.000 . 4.800 4.960 4.910 5.015 0.215 5 0 "[ . 1 . 2]" 1
686 1 79 GLU HA 1 80 HIS H 2.500 . 2.900 2.262 2.198 2.328 . 0 0 "[ . 1 . 2]" 1
687 1 79 GLU HB2 1 80 HIS HA 4.000 . 6.000 5.298 5.189 5.375 . 0 0 "[ . 1 . 2]" 1
688 1 79 GLU HB3 1 80 HIS HA 4.000 . 6.100 5.313 5.163 5.405 . 0 0 "[ . 1 . 2]" 1
689 1 79 GLU H 1 81 ILE MG 3.000 . 4.800 4.823 4.599 4.907 0.107 13 0 "[ . 1 . 2]" 1
690 1 79 GLU HG2 1 81 ILE MG 4.000 . 6.500 6.534 6.388 6.607 0.107 2 0 "[ . 1 . 2]" 1
691 1 79 GLU HB2 1 81 ILE HA 4.000 . 6.000 4.922 4.728 5.175 . 0 0 "[ . 1 . 2]" 1
692 1 79 GLU HB3 1 81 ILE HA 4.000 . 6.000 4.597 4.422 4.915 . 0 0 "[ . 1 . 2]" 1
693 1 80 HIS HA 1 80 HIS HD2 2.500 . 3.800 3.883 3.501 4.145 0.345 16 0 "[ . 1 . 2]" 1
694 1 80 HIS H 1 80 HIS HB3 2.500 . 3.700 3.237 2.351 3.592 . 0 0 "[ . 1 . 2]" 1
695 1 80 HIS H 1 80 HIS HE1 4.000 . 6.400 6.295 5.857 6.494 0.094 11 0 "[ . 1 . 2]" 1
696 1 80 HIS H 1 80 HIS HB2 2.500 . 3.600 2.552 2.138 3.637 0.037 2 0 "[ . 1 . 2]" 1
697 1 80 HIS H 1 80 HIS HD2 4.000 . 6.000 2.984 2.121 3.585 . 0 0 "[ . 1 . 2]" 1
698 1 80 HIS H 1 81 ILE H 4.000 . 6.000 4.381 4.338 4.499 . 0 0 "[ . 1 . 2]" 1
699 1 80 HIS HA 1 81 ILE H 2.500 . 3.300 2.205 2.172 2.230 . 0 0 "[ . 1 . 2]" 1
700 1 80 HIS HE1 1 84 SER HA 4.000 . 6.000 6.066 6.016 6.159 0.159 15 0 "[ . 1 . 2]" 1
701 1 80 HIS HB3 1 84 SER H 4.000 . 6.000 5.324 4.528 6.164 0.164 2 0 "[ . 1 . 2]" 1
702 1 80 HIS HB3 1 85 PRO HG3 4.000 . 6.100 5.723 4.312 6.146 0.046 2 0 "[ . 1 . 2]" 1
703 1 81 ILE H 1 81 ILE MG 2.500 . 3.900 1.986 1.781 2.318 0.019 14 0 "[ . 1 . 2]" 1
704 1 81 ILE H 1 81 ILE HG13 3.000 . 4.600 3.157 2.754 3.678 . 0 0 "[ . 1 . 2]" 1
705 1 81 ILE H 1 81 ILE HB 3.000 . 4.000 3.609 3.582 3.619 . 0 0 "[ . 1 . 2]" 1
706 1 81 ILE HA 1 81 ILE HG13 4.000 . 6.000 3.698 3.671 3.744 . 0 0 "[ . 1 . 2]" 1
707 1 81 ILE HA 1 81 ILE MD 4.000 . 5.500 4.136 4.125 4.147 . 0 0 "[ . 1 . 2]" 1
708 1 81 ILE H 1 81 ILE MD 4.000 . 6.500 3.632 3.488 3.708 . 0 0 "[ . 1 . 2]" 1
709 1 81 ILE HG13 1 83 ASP H 4.000 . 6.000 5.852 5.409 6.030 0.030 20 0 "[ . 1 . 2]" 1
710 1 81 ILE H 1 84 SER QB 4.000 . 6.000 3.876 3.266 4.383 . 0 0 "[ . 1 . 2]" 1
711 1 82 PRO HA 1 82 PRO HG3 4.000 . 5.000 2.957 2.898 3.256 . 0 0 "[ . 1 . 2]" 1
712 1 82 PRO HB2 1 82 PRO HD2 2.500 . 3.400 3.145 2.966 3.213 . 0 0 "[ . 1 . 2]" 1
713 1 82 PRO HB3 1 82 PRO HD3 4.000 . 6.000 3.997 3.967 4.063 . 0 0 "[ . 1 . 2]" 1
714 1 82 PRO HB2 1 82 PRO HD3 4.000 . 6.000 3.909 3.902 3.935 . 0 0 "[ . 1 . 2]" 1
715 1 82 PRO HB3 1 82 PRO HD2 4.000 . 6.000 4.007 3.873 4.045 . 0 0 "[ . 1 . 2]" 1
716 1 82 PRO HB2 1 83 ASP H 3.000 . 4.300 3.403 2.797 3.852 . 0 0 "[ . 1 . 2]" 1
717 1 82 PRO HG3 1 83 ASP H 4.000 2.800 5.700 4.750 4.611 4.936 . 0 0 "[ . 1 . 2]" 1
718 1 82 PRO HA 1 83 ASP H 2.500 . 3.500 2.382 2.232 2.538 . 0 0 "[ . 1 . 2]" 1
719 1 82 PRO HB2 1 83 ASP HA 4.000 . 5.600 5.031 4.562 5.422 . 0 0 "[ . 1 . 2]" 1
720 1 83 ASP H 1 83 ASP HB3 4.000 . 5.000 3.749 3.540 4.117 . 0 0 "[ . 1 . 2]" 1
721 1 83 ASP H 1 83 ASP HB2 4.000 . 5.000 3.163 3.013 3.448 . 0 0 "[ . 1 . 2]" 1
722 1 83 ASP HB3 1 84 SER QB 4.000 . 5.500 4.654 3.877 5.138 . 0 0 "[ . 1 . 2]" 1
723 1 83 ASP H 1 84 SER QB 4.000 . 6.000 4.731 4.453 5.395 . 0 0 "[ . 1 . 2]" 1
724 1 83 ASP HA 1 84 SER H 4.000 . 5.000 3.073 2.763 3.604 . 0 0 "[ . 1 . 2]" 1
725 1 83 ASP H 1 84 SER H 3.000 . 4.100 3.060 2.778 3.669 . 0 0 "[ . 1 . 2]" 1
726 1 84 SER H 1 84 SER QB 3.000 . 3.700 2.324 2.051 2.688 . 0 0 "[ . 1 . 2]" 1
727 1 84 SER QB 1 85 PRO HB2 4.000 . 6.200 5.270 4.741 5.657 . 0 0 "[ . 1 . 2]" 1
728 1 84 SER H 1 85 PRO HA 4.000 . 6.000 4.830 4.745 4.921 . 0 0 "[ . 1 . 2]" 1
729 1 84 SER HA 1 85 PRO HA 3.000 . 4.300 2.505 2.231 3.137 . 0 0 "[ . 1 . 2]" 1
730 1 84 SER HA 1 85 PRO HB3 4.000 . 6.000 4.661 4.412 5.059 . 0 0 "[ . 1 . 2]" 1
731 1 84 SER QB 1 86 PHE QD 3.000 . 4.400 3.577 2.646 3.933 . 0 0 "[ . 1 . 2]" 1
732 1 84 SER HA 1 86 PHE H 4.000 . 6.000 3.404 2.822 3.728 . 0 0 "[ . 1 . 2]" 1
733 1 85 PRO HA 1 85 PRO HG3 4.000 . 6.000 3.391 3.016 4.056 . 0 0 "[ . 1 . 2]" 1
734 1 85 PRO HA 1 86 PHE H 2.500 . 2.900 2.378 2.211 2.498 . 0 0 "[ . 1 . 2]" 1
735 1 85 PRO HB2 1 86 PHE H 4.000 . 6.000 3.199 2.677 3.824 . 0 0 "[ . 1 . 2]" 1
736 1 85 PRO HB3 1 86 PHE H 4.000 . 5.000 3.324 3.020 4.000 . 0 0 "[ . 1 . 2]" 1
737 1 86 PHE H 1 86 PHE HB2 4.000 . 5.000 2.576 2.174 3.747 . 0 0 "[ . 1 . 2]" 1
738 1 86 PHE H 1 86 PHE HB3 4.000 . 5.000 3.585 3.378 3.783 . 0 0 "[ . 1 . 2]" 1
739 1 86 PHE H 1 86 PHE QD 4.000 . 4.300 2.811 1.812 3.262 . 0 0 "[ . 1 . 2]" 1
740 1 86 PHE H 1 87 VAL H 4.000 . 6.000 4.467 4.341 4.594 . 0 0 "[ . 1 . 2]" 1
741 1 86 PHE HA 1 87 VAL H 2.500 . 2.900 2.210 2.156 2.352 . 0 0 "[ . 1 . 2]" 1
742 1 86 PHE QD 1 87 VAL H 4.000 . 6.000 4.184 3.678 4.398 . 0 0 "[ . 1 . 2]" 1
743 1 87 VAL H 1 87 VAL HB 2.500 . 2.900 2.640 2.517 2.913 0.013 10 0 "[ . 1 . 2]" 1
744 1 87 VAL H 1 87 VAL MG1 2.500 . 3.800 3.135 1.788 3.816 0.016 19 0 "[ . 1 . 2]" 1
745 1 87 VAL HA 1 87 VAL MG1 3.000 . 3.800 2.608 2.252 3.200 . 0 0 "[ . 1 . 2]" 1
746 1 87 VAL H 1 87 VAL MG2 4.000 . 6.500 2.679 1.936 3.801 . 0 0 "[ . 1 . 2]" 1
747 1 87 VAL HB 1 88 VAL H 4.000 . 6.000 3.926 3.676 4.187 . 0 0 "[ . 1 . 2]" 1
748 1 87 VAL HA 1 88 VAL H 2.500 . 2.900 2.316 2.220 2.377 . 0 0 "[ . 1 . 2]" 1
749 1 87 VAL H 1 88 VAL H 4.000 . 5.000 4.623 4.569 4.664 . 0 0 "[ . 1 . 2]" 1
750 1 87 VAL HB 1 88 VAL HA 4.000 . 6.000 4.971 4.406 5.827 . 0 0 "[ . 1 . 2]" 1
751 1 87 VAL MG2 1 88 VAL H 4.000 . 6.500 3.414 2.044 4.222 . 0 0 "[ . 1 . 2]" 1
752 1 88 VAL H 1 88 VAL MG1 2.500 . 3.900 3.931 3.816 3.980 0.080 18 0 "[ . 1 . 2]" 1
753 1 88 VAL H 1 88 VAL MG2 4.000 . 5.500 2.816 2.412 3.101 . 0 0 "[ . 1 . 2]" 1
754 1 88 VAL H 1 88 VAL HB 2.500 . 2.900 2.815 2.537 2.957 0.057 16 0 "[ . 1 . 2]" 1
755 1 89 PRO HA 1 89 PRO HD3 4.000 . 6.000 3.774 3.675 3.882 . 0 0 "[ . 1 . 2]" 1
756 1 89 PRO HB3 1 89 PRO HD3 4.000 . 6.000 3.855 3.088 4.070 . 0 0 "[ . 1 . 2]" 1
757 1 89 PRO HB3 1 89 PRO HD2 4.000 . 6.000 3.908 3.889 3.947 . 0 0 "[ . 1 . 2]" 1
758 1 89 PRO HA 1 90 VAL H 2.500 . 2.900 2.266 2.180 2.355 . 0 0 "[ . 1 . 2]" 1
759 1 89 PRO HB3 1 90 VAL H 4.000 . 6.000 3.963 3.712 4.427 . 0 0 "[ . 1 . 2]" 1
760 1 89 PRO HA 1 90 VAL MG2 4.000 . 5.500 4.906 4.637 5.188 . 0 0 "[ . 1 . 2]" 1
761 1 90 VAL H 1 90 VAL MG2 3.000 . 4.000 3.399 3.264 3.523 . 0 0 "[ . 1 . 2]" 1
762 1 90 VAL H 1 90 VAL MG1 2.500 . 3.400 3.349 3.240 3.458 0.058 7 0 "[ . 1 . 2]" 1
763 1 90 VAL H 1 90 VAL HB 2.500 . 2.900 2.223 2.139 2.270 . 0 0 "[ . 1 . 2]" 1
764 1 90 VAL HA 1 91 ALA H 2.500 . 2.900 2.128 2.113 2.151 . 0 0 "[ . 1 . 2]" 1
765 1 90 VAL MG1 1 91 ALA H 4.000 . 5.500 3.139 3.040 3.267 . 0 0 "[ . 1 . 2]" 1
766 1 90 VAL MG2 1 91 ALA H 2.500 . 3.400 3.399 3.194 3.502 0.102 17 0 "[ . 1 . 2]" 1
767 1 90 VAL H 1 91 ALA H 4.000 . 6.000 4.461 4.428 4.494 . 0 0 "[ . 1 . 2]" 1
768 1 90 VAL HB 1 91 ALA H 4.000 . 6.000 4.549 4.526 4.571 . 0 0 "[ . 1 . 2]" 1
769 1 90 VAL HB 1 91 ALA MB 4.000 . 6.500 5.889 5.857 5.912 . 0 0 "[ . 1 . 2]" 1
770 1 91 ALA H 1 91 ALA MB 2.500 . 3.400 2.162 2.081 2.239 . 0 0 "[ . 1 . 2]" 1
771 1 91 ALA MB 1 92 SER H 2.500 . 3.400 2.227 2.085 2.360 . 0 0 "[ . 1 . 2]" 1
772 1 91 ALA HA 1 92 SER H 2.500 . 2.900 2.652 2.593 2.742 . 0 0 "[ . 1 . 2]" 1
773 1 92 SER H 1 92 SER HB3 4.000 . 5.000 3.061 2.191 3.678 . 0 0 "[ . 1 . 2]" 1
774 1 92 SER H 1 92 SER HB2 4.000 . 5.000 3.117 2.239 3.649 . 0 0 "[ . 1 . 2]" 1
775 1 92 SER HA 1 93 PRO HD2 2.500 . 2.700 2.457 2.413 2.483 . 0 0 "[ . 1 . 2]" 1
776 1 92 SER H 1 95 GLY H 4.000 . 6.000 6.050 6.010 6.075 0.075 16 0 "[ . 1 . 2]" 1
777 1 93 PRO HA 1 93 PRO HD2 2.500 . 3.800 3.889 3.885 3.893 0.093 8 0 "[ . 1 . 2]" 1
778 1 93 PRO HB3 1 93 PRO HD2 4.000 . 5.000 4.050 4.039 4.061 . 0 0 "[ . 1 . 2]" 1
779 1 93 PRO HA 1 93 PRO HG3 4.000 . 5.000 2.910 2.893 2.923 . 0 0 "[ . 1 . 2]" 1
780 1 93 PRO HA 1 94 SER HB2 4.000 . 6.000 4.523 4.495 4.561 . 0 0 "[ . 1 . 2]" 1
781 1 93 PRO HB3 1 94 SER H 4.000 . 5.000 3.412 3.203 3.614 . 0 0 "[ . 1 . 2]" 1
782 1 93 PRO HA 1 94 SER H 2.500 . 3.500 2.241 2.207 2.292 . 0 0 "[ . 1 . 2]" 1
783 1 93 PRO HA 1 95 GLY HA3 4.000 . 6.000 6.177 6.147 6.199 0.199 5 0 "[ . 1 . 2]" 1
784 1 93 PRO HB3 1 95 GLY H 4.000 . 6.000 5.801 5.758 5.847 . 0 0 "[ . 1 . 2]" 1
785 1 94 SER H 1 94 SER HB2 4.000 . 6.000 2.325 2.306 2.393 . 0 0 "[ . 1 . 2]" 1
786 1 94 SER HB3 1 95 GLY HA3 3.000 . 4.800 4.891 4.879 4.914 0.114 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 460
_Distance_constraint_stats_list.Viol_count 1867
_Distance_constraint_stats_list.Viol_total 5469.641
_Distance_constraint_stats_list.Viol_max 1.853
_Distance_constraint_stats_list.Viol_rms 0.1289
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0297
_Distance_constraint_stats_list.Viol_average_violations_only 0.1465
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 ALA 2.146 0.229 16 0 "[ . 1 . 2]"
1 34 GLY 2.346 0.215 9 0 "[ . 1 . 2]"
1 36 LEU 0.125 0.087 19 0 "[ . 1 . 2]"
1 37 ALA 3.368 0.305 14 0 "[ . 1 . 2]"
1 38 ILE 9.060 0.516 7 1 "[ . + 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 5.610 0.446 19 0 "[ . 1 . 2]"
1 42 GLY 4.736 0.351 7 0 "[ . 1 . 2]"
1 49 SER 0.112 0.041 4 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 TRP 3.410 0.430 3 0 "[ . 1 . 2]"
2 2 LYS 16.424 1.157 2 14 "[*+******** *-*. * 2]"
2 3 VAL 6.520 1.157 2 1 "[ + . 1 . 2]"
2 4 GLY 1.357 0.141 20 0 "[ . 1 . 2]"
2 5 PHE 31.744 0.607 1 8 "[+ * . ** * -.* * 2]"
2 6 PHE 22.337 0.610 7 15 "[******+*** *-*. ** 2]"
2 7 LYS 16.710 0.607 1 8 "[+ * . ** * -.* * 2]"
2 8 ARG 89.835 1.853 2 20 [*+*********-********]
2 9 ASN 98.190 1.853 2 20 [*+**-***************]
2 10 ARG 2.517 0.171 3 0 "[ . 1 . 2]"
2 11 PRO 0.506 0.162 6 0 "[ . 1 . 2]"
2 12 PRO 0.275 0.066 12 0 "[ . 1 . 2]"
2 13 LEU 7.338 1.309 9 5 "[ *** +1 . - 2]"
2 14 GLU 0.280 0.071 5 0 "[ . 1 . 2]"
2 15 GLU 6.932 1.309 9 5 "[ *** +1 . - 2]"
2 16 ASP 0.517 0.121 6 0 "[ . 1 . 2]"
2 17 ASP 0.295 0.109 7 0 "[ . 1 . 2]"
2 18 GLU 0.750 0.182 11 0 "[ . 1 . 2]"
2 19 GLU 1.994 0.654 14 2 "[ . 1 -+. 2]"
2 20 GLY 0.933 0.106 13 0 "[ . 1 . 2]"
2 21 GLU 1.988 0.654 14 2 "[ . 1 -+. 2]"
3 1 LYS 0.125 0.049 17 0 "[ . 1 . 2]"
3 2 LYS 0.215 0.059 19 0 "[ . 1 . 2]"
3 3 LYS 0.532 0.072 5 0 "[ . 1 . 2]"
3 4 ILE 0.841 0.072 5 0 "[ . 1 . 2]"
3 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
3 6 ILE 2.004 0.215 9 0 "[ . 1 . 2]"
3 7 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
3 8 ASP 0.559 0.136 18 0 "[ . 1 . 2]"
3 9 ARG 2.016 0.136 18 0 "[ . 1 . 2]"
3 10 LYS 6.201 0.133 17 0 "[ . 1 . 2]"
3 11 GLU 6.328 0.153 11 0 "[ . 1 . 2]"
3 12 PHE 9.482 0.153 11 0 "[ . 1 . 2]"
3 13 ALA 4.835 0.148 9 0 "[ . 1 . 2]"
3 14 LYS 5.167 0.154 2 0 "[ . 1 . 2]"
3 15 PHE 8.694 0.192 16 0 "[ . 1 . 2]"
3 16 GLU 13.477 0.285 17 0 "[ . 1 . 2]"
3 17 GLU 18.527 0.636 1 9 "[+ **- **** . * 2]"
3 18 GLU 12.246 0.227 5 0 "[ . 1 . 2]"
3 19 ARG 3.577 0.227 5 0 "[ . 1 . 2]"
3 20 ALA 6.695 0.255 11 0 "[ . 1 . 2]"
3 21 ARG 7.994 0.636 1 9 "[+ **- **** . * 2]"
3 22 ALA 0.920 0.253 20 0 "[ . 1 . 2]"
3 23 LYS 0.127 0.041 8 0 "[ . 1 . 2]"
3 24 TRP 0.023 0.014 8 0 "[ . 1 . 2]"
3 25 ASP 0.131 0.066 1 0 "[ . 1 . 2]"
3 26 THR 2.207 0.161 16 0 "[ . 1 . 2]"
3 27 ALA 0.399 0.155 1 0 "[ . 1 . 2]"
3 28 ASN 0.812 0.110 14 0 "[ . 1 . 2]"
3 29 ASN 1.436 0.156 13 0 "[ . 1 . 2]"
3 30 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 31 LEU 0.349 0.065 15 0 "[ . 1 . 2]"
3 32 TYR 0.013 0.012 10 0 "[ . 1 . 2]"
3 33 LYS 7.329 0.351 7 0 "[ . 1 . 2]"
3 34 GLU 0.512 0.132 18 0 "[ . 1 . 2]"
3 35 ALA 7.561 0.516 7 1 "[ . + 1 . 2]"
3 36 THR 9.057 0.446 19 0 "[ . 1 . 2]"
3 37 SER 0.058 0.053 9 0 "[ . 1 . 2]"
3 38 THR 0.168 0.087 19 0 "[ . 1 . 2]"
3 39 PHE 0.515 0.133 15 0 "[ . 1 . 2]"
3 40 THR 0.008 0.005 1 0 "[ . 1 . 2]"
3 41 ASN 0.414 0.040 8 0 "[ . 1 . 2]"
3 42 ILE 1.222 0.250 1 0 "[ . 1 . 2]"
3 43 THR 0.433 0.236 12 0 "[ . 1 . 2]"
3 44 TYR 0.854 0.236 12 0 "[ . 1 . 2]"
3 45 ARG 0.542 0.049 10 0 "[ . 1 . 2]"
3 46 GLY 0.062 0.034 10 0 "[ . 1 . 2]"
3 47 THR 0.833 0.236 18 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 2 1 TRP HH2 2 1 TRP HZ3 2.500 . 3.000 2.471 2.465 2.474 . 0 0 "[ . 1 . 2]" 2
2 2 1 TRP HB2 2 1 TRP HD1 3.000 2.400 3.900 3.813 3.699 3.872 . 0 0 "[ . 1 . 2]" 2
3 2 1 TRP HA 2 1 TRP HZ2 4.000 . 6.000 6.148 6.014 6.430 0.430 3 0 "[ . 1 . 2]" 2
4 2 1 TRP HA 2 1 TRP HD1 4.000 . 6.000 3.492 2.481 4.333 . 0 0 "[ . 1 . 2]" 2
5 2 1 TRP HB3 2 1 TRP HD1 3.000 2.400 4.000 2.757 2.566 3.123 . 0 0 "[ . 1 . 2]" 2
6 2 2 LYS HA 2 3 VAL H 2.500 . 3.600 2.709 2.034 3.045 . 0 0 "[ . 1 . 2]" 2
7 2 2 LYS HA 2 5 PHE QB 4.000 . 6.000 5.001 4.001 5.320 . 0 0 "[ . 1 . 2]" 2
8 2 2 LYS QD 2 3 VAL H 3.400 2.700 4.400 4.520 3.891 5.557 1.157 2 1 "[ + . 1 . 2]" 2
9 2 3 VAL H 2 3 VAL HA 3.100 2.500 3.700 2.692 2.394 2.770 0.106 2 0 "[ . 1 . 2]" 2
10 2 3 VAL MG2 2 6 PHE QD 4.000 . 6.000 4.925 3.839 5.249 . 0 0 "[ . 1 . 2]" 2
11 2 3 VAL H 2 3 VAL MG2 4.000 . 6.000 2.370 1.832 3.891 . 0 0 "[ . 1 . 2]" 2
12 2 3 VAL MG1 2 6 PHE QD 4.000 . 6.000 4.888 4.737 5.473 . 0 0 "[ . 1 . 2]" 2
13 2 3 VAL H 2 3 VAL HB 2.900 2.300 3.500 3.353 2.386 3.641 0.141 15 0 "[ . 1 . 2]" 2
14 2 4 GLY H 2 4 GLY HA2 2.700 2.200 3.200 2.795 2.747 2.815 . 0 0 "[ . 1 . 2]" 2
15 2 4 GLY HA2 2 7 LYS QB 4.000 . 6.000 3.599 3.376 4.776 . 0 0 "[ . 1 . 2]" 2
16 2 4 GLY HA2 2 6 PHE H 4.200 3.400 5.000 4.711 4.645 4.823 . 0 0 "[ . 1 . 2]" 2
17 2 4 GLY H 2 5 PHE QE 4.700 3.800 5.600 5.119 4.820 5.254 . 0 0 "[ . 1 . 2]" 2
18 2 3 VAL HA 2 4 GLY H 2.600 2.100 3.600 3.480 3.428 3.597 . 0 0 "[ . 1 . 2]" 2
19 2 4 GLY HA3 2 6 PHE H 4.500 3.600 5.400 4.950 4.890 5.090 . 0 0 "[ . 1 . 2]" 2
20 2 4 GLY H 2 5 PHE H 4.000 . 6.000 3.428 3.226 3.615 . 0 0 "[ . 1 . 2]" 2
21 2 3 VAL MG1 2 4 GLY H 4.000 . 6.000 3.569 1.659 4.159 0.141 20 0 "[ . 1 . 2]" 2
22 2 4 GLY HA3 2 6 PHE QD 4.000 . 6.000 5.129 5.089 5.189 . 0 0 "[ . 1 . 2]" 2
23 2 2 LYS QD 2 4 GLY H 4.700 3.800 6.600 4.622 4.068 5.610 . 0 0 "[ . 1 . 2]" 2
24 2 4 GLY HA3 2 5 PHE QE 4.000 . 6.000 6.053 5.909 6.117 0.117 3 0 "[ . 1 . 2]" 2
25 2 3 VAL HB 2 4 GLY H 3.600 2.900 4.700 3.805 3.730 3.939 . 0 0 "[ . 1 . 2]" 2
26 2 4 GLY HA2 2 5 PHE H 3.200 2.600 3.800 3.462 3.437 3.496 . 0 0 "[ . 1 . 2]" 2
27 2 4 GLY HA3 2 6 PHE QE 4.000 . 6.000 5.638 5.554 5.687 . 0 0 "[ . 1 . 2]" 2
28 2 4 GLY HA2 2 5 PHE QD 3.900 3.100 5.000 4.216 4.094 4.265 . 0 0 "[ . 1 . 2]" 2
29 2 5 PHE H 2 5 PHE HA 3.400 2.700 4.100 2.497 2.460 2.524 0.240 7 0 "[ . 1 . 2]" 2
30 2 5 PHE H 2 6 PHE QD 4.900 3.900 5.900 4.703 4.656 4.756 . 0 0 "[ . 1 . 2]" 2
31 2 5 PHE QB 2 5 PHE QE 3.000 2.400 4.000 3.968 3.959 3.973 . 0 0 "[ . 1 . 2]" 2
32 2 4 GLY HA3 2 5 PHE QD 4.200 3.400 5.000 4.045 3.941 4.091 . 0 0 "[ . 1 . 2]" 2
33 2 5 PHE QB 2 5 PHE QD 2.500 . 3.000 2.185 2.172 2.194 . 0 0 "[ . 1 . 2]" 2
34 2 5 PHE HA 2 5 PHE QD 2.900 2.300 3.700 3.647 3.620 3.677 . 0 0 "[ . 1 . 2]" 2
35 2 5 PHE QB 2 8 ARG HA 4.000 . 6.000 6.407 6.301 6.483 0.483 15 0 "[ . 1 . 2]" 2
36 2 3 VAL MG2 2 5 PHE H 4.000 . 6.000 5.323 5.032 5.861 . 0 0 "[ . 1 . 2]" 2
37 2 5 PHE QD 2 8 ARG HA 4.000 . 6.000 6.094 6.047 6.131 0.131 2 0 "[ . 1 . 2]" 2
38 2 5 PHE H 2 5 PHE QE 4.000 . 6.000 5.277 5.108 5.368 . 0 0 "[ . 1 . 2]" 2
39 2 5 PHE QD 2 8 ARG QB 4.000 . 6.000 4.120 4.077 4.166 . 0 0 "[ . 1 . 2]" 2
40 2 5 PHE QD 2 7 LYS HD3 4.000 . 6.000 6.042 5.764 6.118 0.118 7 0 "[ . 1 . 2]" 2
41 2 5 PHE QD 2 7 LYS HA 4.000 . 6.000 6.248 6.205 6.344 0.344 2 0 "[ . 1 . 2]" 2
42 2 5 PHE QE 2 7 LYS HD3 4.000 . 6.000 5.364 5.275 5.534 . 0 0 "[ . 1 . 2]" 2
43 2 5 PHE H 2 5 PHE QB 2.900 2.300 3.500 2.343 2.281 2.454 0.019 2 0 "[ . 1 . 2]" 2
44 2 4 GLY H 2 5 PHE QD 4.000 . 6.000 3.699 3.392 3.829 . 0 0 "[ . 1 . 2]" 2
45 2 1 TRP HB2 2 5 PHE QD 4.000 . 6.000 5.671 4.137 6.067 0.067 20 0 "[ . 1 . 2]" 2
46 2 5 PHE HA 2 5 PHE QE 3.500 2.800 5.600 5.580 5.564 5.589 . 0 0 "[ . 1 . 2]" 2
47 2 5 PHE H 2 6 PHE H 4.000 . 6.000 3.859 3.807 3.982 . 0 0 "[ . 1 . 2]" 2
48 2 1 TRP HB3 2 5 PHE QD 4.000 . 6.000 5.226 3.687 6.135 0.135 16 0 "[ . 1 . 2]" 2
49 2 6 PHE QE 2 18 GLU QG 4.000 . 6.000 4.812 2.838 5.656 . 0 0 "[ . 1 . 2]" 2
50 2 6 PHE H 2 8 ARG HA 4.000 . 6.000 5.821 5.755 5.916 . 0 0 "[ . 1 . 2]" 2
51 2 6 PHE H 2 6 PHE HA 2.600 2.100 3.100 2.942 2.924 2.954 . 0 0 "[ . 1 . 2]" 2
52 2 3 VAL MG2 2 6 PHE QE 4.000 . 6.000 3.616 2.067 4.118 . 0 0 "[ . 1 . 2]" 2
53 2 6 PHE QD 2 20 GLY HA2 4.000 . 6.000 4.807 3.393 5.895 . 0 0 "[ . 1 . 2]" 2
54 2 6 PHE QD 2 7 LYS HA 4.200 3.400 5.000 4.170 4.150 4.191 . 0 0 "[ . 1 . 2]" 2
55 2 6 PHE QE 2 8 ARG HA 4.000 . 6.000 6.477 6.382 6.533 0.533 8 7 "[ ** + * - . ** 2]" 2
56 2 3 VAL MG1 2 6 PHE QE 4.000 . 6.000 3.367 3.009 4.770 . 0 0 "[ . 1 . 2]" 2
57 2 6 PHE H 2 6 PHE HB2 3.100 2.500 4.100 3.704 3.684 3.715 . 0 0 "[ . 1 . 2]" 2
58 2 6 PHE QD 2 8 ARG QB 4.000 3.200 5.800 4.417 4.396 4.469 . 0 0 "[ . 1 . 2]" 2
59 2 2 LYS HA 2 6 PHE QE 4.000 . 6.000 6.507 6.464 6.610 0.610 7 14 "[******+*** *-*. * 2]" 2
60 2 5 PHE QE 2 6 PHE H 4.000 . 6.000 2.913 2.847 2.986 . 0 0 "[ . 1 . 2]" 2
61 2 6 PHE QE 2 7 LYS HD3 4.000 . 6.000 2.699 2.325 2.941 . 0 0 "[ . 1 . 2]" 2
62 2 6 PHE HB3 2 6 PHE QD 2.700 2.200 3.200 2.759 2.704 2.771 . 0 0 "[ . 1 . 2]" 2
63 2 6 PHE QE 2 7 LYS HA 5.000 4.000 6.000 4.678 4.633 4.728 . 0 0 "[ . 1 . 2]" 2
64 2 3 VAL MG1 2 6 PHE H 4.900 3.900 5.900 5.918 5.706 5.976 0.076 7 0 "[ . 1 . 2]" 2
65 2 6 PHE HA 2 6 PHE QE 4.000 . 5.500 5.561 5.546 5.584 0.084 3 0 "[ . 1 . 2]" 2
66 2 6 PHE QD 2 7 LYS HD3 4.100 3.300 5.600 3.729 3.173 4.256 0.127 2 0 "[ . 1 . 2]" 2
67 2 6 PHE QE 2 8 ARG QB 4.000 . 6.000 5.704 5.666 5.718 . 0 0 "[ . 1 . 2]" 2
68 2 6 PHE H 2 6 PHE HB3 4.000 . 6.000 2.586 2.547 2.609 . 0 0 "[ . 1 . 2]" 2
69 2 6 PHE H 2 6 PHE QE 4.000 . 6.000 3.938 3.904 3.983 . 0 0 "[ . 1 . 2]" 2
70 2 6 PHE HB3 2 6 PHE QE 3.500 2.800 4.600 4.520 4.506 4.528 . 0 0 "[ . 1 . 2]" 2
71 2 3 VAL MG2 2 6 PHE H 4.000 . 6.000 5.802 5.065 6.002 0.002 14 0 "[ . 1 . 2]" 2
72 2 6 PHE HA 2 6 PHE QD 2.800 2.200 3.700 3.574 3.552 3.617 . 0 0 "[ . 1 . 2]" 2
73 2 5 PHE QE 2 7 LYS HA 4.000 . 6.000 6.499 6.470 6.607 0.607 1 8 "[+ * . ** * -.* * 2]" 2
74 2 7 LYS H 2 7 LYS HD2 3.600 2.900 5.300 4.622 4.244 5.021 . 0 0 "[ . 1 . 2]" 2
75 2 7 LYS H 2 7 LYS HG2 3.100 2.500 5.500 4.323 2.602 4.624 . 0 0 "[ . 1 . 2]" 2
76 2 4 GLY HA3 2 7 LYS H 4.000 . 6.000 4.926 4.778 5.165 . 0 0 "[ . 1 . 2]" 2
77 2 8 ARG QB 2 9 ASN H 4.000 3.500 5.300 2.748 2.677 2.857 0.823 19 20 [******************+-] 2
78 2 5 PHE QE 2 8 ARG QB 4.000 . 6.000 5.807 5.778 5.833 . 0 0 "[ . 1 . 2]" 2
79 2 8 ARG H 2 8 ARG HA 2.500 . 3.000 2.835 2.802 2.863 . 0 0 "[ . 1 . 2]" 2
80 2 8 ARG QG 2 9 ASN H 4.500 3.600 5.400 2.824 2.632 3.064 0.968 19 20 [******************+-] 2
81 2 6 PHE QD 2 8 ARG HA 4.000 . 6.000 5.773 5.719 5.822 . 0 0 "[ . 1 . 2]" 2
82 2 7 LYS H 2 8 ARG H 4.000 . 6.000 2.165 2.044 2.306 . 0 0 "[ . 1 . 2]" 2
83 2 8 ARG H 2 8 ARG QD 4.000 3.200 5.100 4.477 4.350 4.802 . 0 0 "[ . 1 . 2]" 2
84 2 5 PHE QE 2 8 ARG H 4.000 . 6.000 5.546 5.457 5.602 . 0 0 "[ . 1 . 2]" 2
85 2 7 LYS HA 2 8 ARG H 3.000 2.400 3.600 3.216 3.165 3.292 . 0 0 "[ . 1 . 2]" 2
86 2 8 ARG QB 2 9 ASN QD . 4.100 6.000 3.407 2.856 3.820 1.244 19 16 "[*** -*** *****. **+*]" 2
87 2 8 ARG QG 2 9 ASN QD 4.000 3.800 5.600 2.518 1.947 3.988 1.853 2 18 "[*+****** ****** **-*]" 2
88 2 9 ASN HA 2 9 ASN QD 4.400 3.500 5.300 2.221 1.823 3.912 1.677 15 17 "[-******* *****+ ** *]" 2
89 2 8 ARG QD 2 9 ASN QD 4.000 . 6.000 4.010 3.349 4.867 . 0 0 "[ . 1 . 2]" 2
90 2 9 ASN HB3 2 9 ASN QD 4.000 2.600 4.000 3.075 2.827 3.389 . 0 0 "[ . 1 . 2]" 2
91 2 8 ARG QD 2 9 ASN H 4.000 . 6.000 4.564 4.301 5.013 . 0 0 "[ . 1 . 2]" 2
92 2 9 ASN H 2 9 ASN HB3 4.100 3.300 5.700 3.623 3.601 3.642 . 0 0 "[ . 1 . 2]" 2
93 2 9 ASN HB2 2 9 ASN QD 3.600 2.900 4.300 3.130 2.251 3.371 0.649 16 2 "[ . -1 .+ 2]" 2
94 2 10 ARG H 2 11 PRO HD3 4.100 3.300 5.100 3.605 3.138 4.154 0.162 6 0 "[ . 1 . 2]" 2
95 2 10 ARG H 2 10 ARG QG 3.200 2.600 4.600 3.717 2.838 4.459 . 0 0 "[ . 1 . 2]" 2
96 2 10 ARG H 2 10 ARG HB3 3.200 2.600 4.100 3.179 2.486 3.666 0.114 1 0 "[ . 1 . 2]" 2
97 2 9 ASN HB3 2 10 ARG H 3.800 3.000 4.600 3.940 3.528 4.355 . 0 0 "[ . 1 . 2]" 2
98 2 10 ARG H 2 10 ARG QD 4.000 3.200 5.400 4.259 3.668 4.451 . 0 0 "[ . 1 . 2]" 2
99 2 9 ASN HA 2 10 ARG H 2.800 2.200 3.700 2.285 2.186 2.504 0.014 17 0 "[ . 1 . 2]" 2
100 2 9 ASN HB2 2 10 ARG H 3.700 3.000 5.000 4.399 4.212 4.514 . 0 0 "[ . 1 . 2]" 2
101 2 13 LEU H 2 13 LEU QB 2.900 2.300 3.500 2.498 2.246 2.925 0.054 11 0 "[ . 1 . 2]" 2
102 2 13 LEU H 2 13 LEU HA 2.500 . 3.000 2.885 2.348 3.004 0.004 3 0 "[ . 1 . 2]" 2
103 2 13 LEU H 2 13 LEU HG 2.700 2.200 4.500 4.069 2.146 4.571 0.071 1 0 "[ . 1 . 2]" 2
104 2 12 PRO HD3 2 13 LEU H 4.000 3.200 5.600 5.091 4.287 5.666 0.066 12 0 "[ . 1 . 2]" 2
105 2 12 PRO HD2 2 13 LEU H 4.200 3.400 5.300 4.705 3.360 5.336 0.040 17 0 "[ . 1 . 2]" 2
106 2 13 LEU H 2 13 LEU QD 3.300 2.600 4.800 3.669 2.528 4.123 0.072 10 0 "[ . 1 . 2]" 2
107 2 13 LEU QD 2 14 GLU H 3.600 2.900 4.300 3.470 2.863 4.243 0.037 4 0 "[ . 1 . 2]" 2
108 2 14 GLU H 2 14 GLU HB2 3.000 2.400 4.000 3.052 2.385 4.018 0.018 11 0 "[ . 1 . 2]" 2
109 2 14 GLU H 2 14 GLU HB3 2.900 2.300 3.900 3.624 2.735 3.971 0.071 5 0 "[ . 1 . 2]" 2
110 2 14 GLU H 2 14 GLU QG 3.000 2.400 4.200 2.781 2.391 4.193 0.009 11 0 "[ . 1 . 2]" 2
111 2 14 GLU H 2 14 GLU HA 2.700 2.200 3.200 2.830 2.342 2.990 . 0 0 "[ . 1 . 2]" 2
112 2 15 GLU H 2 15 GLU HA 2.500 . 3.000 2.818 2.334 2.960 . 0 0 "[ . 1 . 2]" 2
113 2 13 LEU QD 2 15 GLU H 4.600 3.700 5.500 4.101 2.391 5.375 1.309 9 3 "[ *. +1 . - 2]" 2
114 2 13 LEU HG 2 15 GLU H 3.900 3.100 5.800 4.687 3.088 5.868 0.068 11 0 "[ . 1 . 2]" 2
115 2 13 LEU QB 2 15 GLU H 4.600 3.700 5.500 4.858 2.904 5.932 0.796 3 2 "[ + - 1 . 2]" 2
116 2 15 GLU H 2 15 GLU QG 3.000 2.400 4.300 3.343 2.393 4.379 0.079 5 0 "[ . 1 . 2]" 2
117 2 15 GLU H 2 15 GLU HB3 2.800 2.200 3.800 3.375 2.508 3.965 0.165 10 0 "[ . 1 . 2]" 2
118 2 15 GLU H 2 15 GLU HB2 2.900 2.300 3.900 2.769 2.348 3.698 . 0 0 "[ . 1 . 2]" 2
119 2 16 ASP H 2 16 ASP HB2 2.700 2.200 3.700 2.913 2.339 3.821 0.121 6 0 "[ . 1 . 2]" 2
120 2 15 GLU HB2 2 16 ASP H 3.100 2.500 4.300 3.772 2.643 4.287 . 0 0 "[ . 1 . 2]" 2
121 2 16 ASP H 2 16 ASP HB3 2.600 2.100 3.800 3.259 2.551 3.889 0.089 17 0 "[ . 1 . 2]" 2
122 2 15 GLU QG 2 16 ASP H 2.900 2.300 4.400 3.858 2.290 4.460 0.060 10 0 "[ . 1 . 2]" 2
123 2 15 GLU HB3 2 16 ASP H 2.900 2.300 3.800 3.037 2.294 3.832 0.032 6 0 "[ . 1 . 2]" 2
124 2 16 ASP H 2 16 ASP HA 2.400 . 2.900 2.861 2.351 2.946 0.046 6 0 "[ . 1 . 2]" 2
125 2 15 GLU HA 2 16 ASP H 2.500 . 3.600 2.983 2.199 3.590 . 0 0 "[ . 1 . 2]" 2
126 2 17 ASP H 2 18 GLU H 3.100 2.500 4.600 3.937 2.633 4.650 0.050 3 0 "[ . 1 . 2]" 2
127 2 17 ASP HB2 2 18 GLU H 3.500 2.800 4.500 4.076 2.795 4.529 0.029 13 0 "[ . 1 . 2]" 2
128 2 18 GLU H 2 18 GLU HA 3.100 2.500 4.100 2.888 2.776 2.968 . 0 0 "[ . 1 . 2]" 2
129 2 18 GLU H 2 18 GLU HB2 3.000 2.400 4.000 2.997 2.360 4.034 0.040 9 0 "[ . 1 . 2]" 2
130 2 6 PHE QD 2 18 GLU QG 4.000 . 6.000 4.607 2.178 5.977 . 0 0 "[ . 1 . 2]" 2
131 2 17 ASP HA 2 18 GLU H 2.700 2.200 3.600 2.406 2.191 3.526 0.009 11 0 "[ . 1 . 2]" 2
132 2 18 GLU H 2 18 GLU HB3 3.200 2.600 3.800 3.107 2.418 3.844 0.182 11 0 "[ . 1 . 2]" 2
133 2 18 GLU H 2 18 GLU QG 3.400 2.700 4.400 3.678 2.571 4.328 0.129 11 0 "[ . 1 . 2]" 2
134 2 17 ASP HB3 2 18 GLU H 3.500 2.800 4.500 3.989 2.898 4.539 0.039 14 0 "[ . 1 . 2]" 2
135 2 18 GLU QG 2 19 GLU H 3.200 2.600 4.100 3.702 2.941 4.145 0.045 7 0 "[ . 1 . 2]" 2
136 2 17 ASP HA 2 19 GLU H 4.000 . 6.000 5.218 3.505 6.109 0.109 7 0 "[ . 1 . 2]" 2
137 2 19 GLU H 2 19 GLU HA 2.500 . 3.000 2.710 2.347 2.936 . 0 0 "[ . 1 . 2]" 2
138 2 19 GLU H 2 19 GLU HB3 2.900 2.300 3.900 3.358 2.531 3.935 0.035 14 0 "[ . 1 . 2]" 2
139 2 19 GLU H 2 19 GLU HB2 2.800 2.200 3.900 2.989 2.363 3.920 0.020 4 0 "[ . 1 . 2]" 2
140 2 19 GLU H 2 20 GLY H 3.600 2.900 4.300 3.612 2.864 4.303 0.036 14 0 "[ . 1 . 2]" 2
141 2 19 GLU H 2 20 GLY HA3 4.900 3.900 5.900 5.476 5.013 6.006 0.106 13 0 "[ . 1 . 2]" 2
142 2 19 GLU H 2 20 GLY HA2 5.000 4.000 6.000 5.177 4.163 5.852 . 0 0 "[ . 1 . 2]" 2
143 2 20 GLY H 2 20 GLY HA2 3.000 2.400 3.600 2.742 2.354 2.936 0.046 14 0 "[ . 1 . 2]" 2
144 2 20 GLY H 2 20 GLY HA3 3.000 2.400 3.600 2.566 2.352 2.936 0.048 8 0 "[ . 1 . 2]" 2
145 2 19 GLU HA 2 21 GLU H 4.400 3.500 5.300 4.691 3.313 5.954 0.654 14 2 "[ . 1 -+. 2]" 2
146 2 21 GLU H 2 21 GLU QG 3.500 2.800 4.400 3.572 2.691 4.395 0.109 12 0 "[ . 1 . 2]" 2
147 2 21 GLU H 2 21 GLU HB3 3.200 2.600 4.100 3.482 2.637 4.097 . 0 0 "[ . 1 . 2]" 2
148 2 21 GLU H 2 21 GLU HB2 3.500 2.800 4.200 3.421 2.878 4.107 . 0 0 "[ . 1 . 2]" 2
149 2 20 GLY HA2 2 21 GLU H 3.000 2.400 3.600 3.104 2.379 3.582 0.021 14 0 "[ . 1 . 2]" 2
150 2 20 GLY H 2 21 GLU H 3.600 2.900 4.300 3.331 2.891 4.078 0.009 10 0 "[ . 1 . 2]" 2
151 2 20 GLY HA3 2 21 GLU H 3.000 2.400 3.600 2.959 2.380 3.588 0.020 11 0 "[ . 1 . 2]" 2
152 3 1 LYS H1 3 1 LYS QG 4.000 . 6.000 2.947 2.031 4.121 . 0 0 "[ . 1 . 2]" 2
153 3 1 LYS H1 3 1 LYS HB3 4.000 . 6.000 3.481 2.516 4.182 . 0 0 "[ . 1 . 2]" 2
154 3 1 LYS HA 3 2 LYS H 4.000 . 5.000 2.702 2.231 3.125 . 0 0 "[ . 1 . 2]" 2
155 3 1 LYS HG3 3 2 LYS H 4.000 . 6.000 4.940 4.442 5.965 . 0 0 "[ . 1 . 2]" 2
156 3 1 LYS HB3 3 2 LYS H 4.000 . 6.000 3.982 1.871 4.665 . 0 0 "[ . 1 . 2]" 2
157 3 1 LYS H1 3 2 LYS QB 4.000 . 6.000 4.550 3.187 5.522 . 0 0 "[ . 1 . 2]" 2
158 3 1 LYS HA 3 4 ILE H 4.000 . 5.000 4.480 3.192 5.049 0.049 17 0 "[ . 1 . 2]" 2
159 3 1 LYS H1 3 4 ILE QG 4.000 . 6.000 4.748 3.241 5.986 . 0 0 "[ . 1 . 2]" 2
160 3 2 LYS H 3 2 LYS HG3 4.000 . 6.000 3.759 2.616 5.293 . 0 0 "[ . 1 . 2]" 2
161 3 2 LYS HA 3 4 ILE H 4.000 . 5.000 4.548 4.048 4.995 . 0 0 "[ . 1 . 2]" 2
162 3 2 LYS H 3 4 ILE HG13 4.000 . 6.400 4.816 3.475 6.436 0.036 19 0 "[ . 1 . 2]" 2
163 3 2 LYS HA 3 6 ILE H 4.000 . 6.000 5.642 4.591 6.059 0.059 19 0 "[ . 1 . 2]" 2
164 3 3 LYS HA 3 4 ILE H 4.000 . 5.000 3.511 3.309 3.588 . 0 0 "[ . 1 . 2]" 2
165 3 3 LYS HE3 3 4 ILE H 2.500 . 3.800 3.815 3.588 3.872 0.072 5 0 "[ . 1 . 2]" 2
166 3 3 LYS HA 3 6 ILE H 4.000 . 6.000 3.361 2.969 3.882 . 0 0 "[ . 1 . 2]" 2
167 3 3 LYS HA 3 7 HIS H 4.000 . 6.000 4.446 3.489 5.356 . 0 0 "[ . 1 . 2]" 2
168 3 3 LYS H 3 3 LYS QD 4.000 . 6.000 4.083 2.467 5.451 . 0 0 "[ . 1 . 2]" 2
169 3 4 ILE H 3 4 ILE HB 2.500 . 3.700 2.955 2.555 3.631 . 0 0 "[ . 1 . 2]" 2
170 3 5 THR H 3 5 THR HB 2.500 . 3.600 2.604 2.430 2.861 . 0 0 "[ . 1 . 2]" 2
171 3 5 THR H 3 8 ASP H 4.000 . 6.000 5.101 4.724 5.556 . 0 0 "[ . 1 . 2]" 2
172 3 6 ILE HG12 3 7 HIS H 4.000 . 6.000 4.530 3.864 5.281 . 0 0 "[ . 1 . 2]" 2
173 3 6 ILE HA 3 9 ARG H 4.000 . 6.000 3.347 3.017 3.612 . 0 0 "[ . 1 . 2]" 2
174 3 6 ILE HA 3 10 LYS H 4.000 . 5.300 5.161 4.708 5.344 0.044 12 0 "[ . 1 . 2]" 2
175 3 8 ASP H 3 8 ASP QB 3.000 . 3.300 2.330 2.254 2.807 . 0 0 "[ . 1 . 2]" 2
176 3 8 ASP H 3 10 LYS H 4.000 . 6.000 4.801 4.210 5.455 . 0 0 "[ . 1 . 2]" 2
177 3 6 ILE MD 3 9 ARG QD 4.000 . 5.500 3.722 2.318 5.511 0.011 2 0 "[ . 1 . 2]" 2
178 3 8 ASP QB 3 9 ARG H 3.000 . 3.300 3.143 2.540 3.358 0.058 2 0 "[ . 1 . 2]" 2
179 3 9 ARG H 3 9 ARG HB2 3.000 . 3.300 2.481 2.395 2.613 . 0 0 "[ . 1 . 2]" 2
180 3 8 ASP HA 3 9 ARG H 2.500 . 3.400 3.390 3.295 3.536 0.136 18 0 "[ . 1 . 2]" 2
181 3 9 ARG H 3 9 ARG HB3 2.500 . 2.700 2.649 2.538 2.731 0.031 6 0 "[ . 1 . 2]" 2
182 3 9 ARG H 3 9 ARG QD 4.000 . 5.000 4.536 4.386 4.781 . 0 0 "[ . 1 . 2]" 2
183 3 10 LYS H 3 10 LYS QE 3.000 . 3.600 3.650 3.547 3.717 0.117 16 0 "[ . 1 . 2]" 2
184 3 9 ARG HA 3 10 LYS H 2.500 . 3.500 3.557 3.519 3.581 0.081 13 0 "[ . 1 . 2]" 2
185 3 9 ARG HB3 3 10 LYS H 2.500 . 2.700 2.426 1.845 2.756 0.056 3 0 "[ . 1 . 2]" 2
186 3 10 LYS H 3 10 LYS HA 2.500 . 3.000 2.895 2.765 2.954 . 0 0 "[ . 1 . 2]" 2
187 3 10 LYS H 3 10 LYS QB 2.500 . 3.000 2.782 2.673 2.873 . 0 0 "[ . 1 . 2]" 2
188 3 10 LYS H 3 10 LYS QD 2.500 . 3.800 3.807 3.431 3.922 0.122 8 0 "[ . 1 . 2]" 2
189 3 10 LYS HB2 3 11 GLU H 4.000 . 6.000 3.395 2.427 3.950 . 0 0 "[ . 1 . 2]" 2
190 3 10 LYS HB2 3 12 PHE H 4.000 . 5.100 5.105 4.755 5.164 0.064 2 0 "[ . 1 . 2]" 2
191 3 10 LYS HA 3 13 ALA H 2.500 . 2.900 2.928 2.789 2.978 0.078 20 0 "[ . 1 . 2]" 2
192 3 10 LYS H 3 13 ALA MB 4.000 . 6.500 4.700 4.299 5.123 . 0 0 "[ . 1 . 2]" 2
193 3 10 LYS HB2 3 14 LYS H 3.000 . 4.800 4.820 4.626 4.933 0.133 17 0 "[ . 1 . 2]" 2
194 3 10 LYS HA 3 14 LYS H 3.000 . 4.500 4.129 3.622 4.399 . 0 0 "[ . 1 . 2]" 2
195 3 11 GLU H 3 11 GLU HG2 3.000 . 3.600 3.099 2.618 3.645 0.045 14 0 "[ . 1 . 2]" 2
196 3 11 GLU H 3 11 GLU QB 2.500 . 2.700 2.491 2.249 2.701 0.001 9 0 "[ . 1 . 2]" 2
197 3 11 GLU H 3 11 GLU HG3 2.500 . 2.700 2.241 1.810 2.751 0.051 2 0 "[ . 1 . 2]" 2
198 3 10 LYS QD 3 11 GLU H 4.000 . 6.000 4.193 3.575 5.457 . 0 0 "[ . 1 . 2]" 2
199 3 10 LYS QE 3 11 GLU H 4.000 . 6.000 4.373 3.794 5.511 . 0 0 "[ . 1 . 2]" 2
200 3 11 GLU HB3 3 12 PHE H 2.500 . 3.700 3.807 3.749 3.850 0.150 19 0 "[ . 1 . 2]" 2
201 3 11 GLU HG2 3 12 PHE H 4.000 . 4.500 4.269 3.654 4.653 0.153 11 0 "[ . 1 . 2]" 2
202 3 11 GLU HA 3 12 PHE H 2.500 . 3.400 3.477 3.455 3.505 0.105 9 0 "[ . 1 . 2]" 2
203 3 11 GLU HB3 3 13 ALA H 4.000 . 6.000 5.841 5.738 5.952 . 0 0 "[ . 1 . 2]" 2
204 3 11 GLU HB3 3 14 LYS H 4.000 . 6.000 5.769 5.525 6.003 0.003 15 0 "[ . 1 . 2]" 2
205 3 12 PHE H 3 12 PHE QD 3.000 . 4.200 4.204 4.190 4.222 0.022 17 0 "[ . 1 . 2]" 2
206 3 10 LYS HA 3 12 PHE H 2.500 . 3.900 3.878 3.670 4.022 0.122 5 0 "[ . 1 . 2]" 2
207 3 11 GLU HG3 3 12 PHE H 2.500 . 3.800 3.063 1.920 3.873 0.073 8 0 "[ . 1 . 2]" 2
208 3 12 PHE H 3 12 PHE HA 2.500 . 3.000 2.914 2.891 2.927 . 0 0 "[ . 1 . 2]" 2
209 3 12 PHE H 3 12 PHE HB2 2.500 . 2.700 2.666 2.586 2.714 0.014 6 0 "[ . 1 . 2]" 2
210 3 12 PHE H 3 12 PHE HB3 2.500 . 2.700 2.503 2.461 2.553 . 0 0 "[ . 1 . 2]" 2
211 3 12 PHE HB2 3 13 ALA H . . 3.800 3.839 3.750 3.874 0.074 10 0 "[ . 1 . 2]" 2
212 3 12 PHE HA 3 13 ALA H 2.500 . 3.500 3.542 3.528 3.558 0.058 17 0 "[ . 1 . 2]" 2
213 3 12 PHE HA 3 14 LYS H 4.000 . 6.000 4.186 3.998 4.505 . 0 0 "[ . 1 . 2]" 2
214 3 12 PHE H 3 15 PHE HB3 4.000 . 5.000 4.996 4.834 5.073 0.073 13 0 "[ . 1 . 2]" 2
215 3 12 PHE HA 3 15 PHE HB3 3.000 . 3.300 2.345 2.321 2.491 . 0 0 "[ . 1 . 2]" 2
216 3 12 PHE HA 3 16 GLU H 3.000 . 5.000 4.657 4.454 4.926 . 0 0 "[ . 1 . 2]" 2
217 3 12 PHE HB3 3 13 ALA H 3.000 . 3.300 2.526 2.408 2.586 . 0 0 "[ . 1 . 2]" 2
218 3 12 PHE QD 3 13 ALA H 3.000 . 3.300 3.260 3.078 3.307 0.007 12 0 "[ . 1 . 2]" 2
219 3 13 ALA H 3 13 ALA HA 2.500 . 2.700 2.817 2.792 2.848 0.148 9 0 "[ . 1 . 2]" 2
220 3 13 ALA H 3 13 ALA MB 2.500 . 2.700 2.235 2.211 2.256 . 0 0 "[ . 1 . 2]" 2
221 3 13 ALA MB 3 14 LYS H . . 2.700 2.606 2.319 2.731 0.031 17 0 "[ . 1 . 2]" 2
222 3 13 ALA HA 3 14 LYS H 2.500 . 3.600 3.547 3.512 3.584 . 0 0 "[ . 1 . 2]" 2
223 3 14 LYS H 3 14 LYS QG 2.500 . 3.300 2.506 1.790 3.402 0.102 17 0 "[ . 1 . 2]" 2
224 3 14 LYS HD3 3 15 PHE H 3.000 . 4.700 3.963 2.779 4.785 0.085 11 0 "[ . 1 . 2]" 2
225 3 14 LYS H 3 15 PHE HA 4.000 . 6.000 4.993 4.869 5.256 . 0 0 "[ . 1 . 2]" 2
226 3 14 LYS HB3 3 16 GLU H 4.000 . 6.000 4.995 4.563 5.362 . 0 0 "[ . 1 . 2]" 2
227 3 14 LYS HA 3 16 GLU H 2.500 . 3.300 3.374 3.309 3.408 0.108 20 0 "[ . 1 . 2]" 2
228 3 14 LYS HD3 3 16 GLU H 4.000 . 5.000 4.836 4.529 5.153 0.153 16 0 "[ . 1 . 2]" 2
229 3 14 LYS HA 3 16 GLU HG3 3.000 . 3.600 3.564 3.389 3.637 0.037 17 0 "[ . 1 . 2]" 2
230 3 14 LYS HD3 3 17 GLU H 4.000 . 5.600 4.598 3.754 5.244 . 0 0 "[ . 1 . 2]" 2
231 3 14 LYS HA 3 17 GLU H 2.500 . 2.900 2.832 2.612 2.988 0.088 5 0 "[ . 1 . 2]" 2
232 3 14 LYS HB3 3 17 GLU H 4.000 . 6.000 4.942 4.338 5.286 . 0 0 "[ . 1 . 2]" 2
233 3 14 LYS HA 3 17 GLU QG 3.000 . 3.300 3.259 3.168 3.277 . 0 0 "[ . 1 . 2]" 2
234 3 14 LYS QB 3 15 PHE H 3.000 . 3.600 3.145 2.584 3.631 0.031 3 0 "[ . 1 . 2]" 2
235 3 15 PHE H 3 15 PHE QD 3.000 . 4.300 4.205 4.195 4.220 . 0 0 "[ . 1 . 2]" 2
236 3 14 LYS QD 3 15 PHE H 3.000 . 4.400 3.685 2.556 4.501 0.101 11 0 "[ . 1 . 2]" 2
237 3 15 PHE H 3 15 PHE HA 2.500 . 2.700 2.797 2.752 2.838 0.138 15 0 "[ . 1 . 2]" 2
238 3 15 PHE H 3 15 PHE QB 2.500 . 2.700 2.284 2.272 2.298 . 0 0 "[ . 1 . 2]" 2
239 3 15 PHE HB2 3 16 GLU H 4.000 . 5.000 4.241 4.156 4.306 . 0 0 "[ . 1 . 2]" 2
240 3 15 PHE HB3 3 16 GLU H 4.000 . 5.000 3.230 3.099 3.332 . 0 0 "[ . 1 . 2]" 2
241 3 15 PHE HA 3 16 GLU H 2.500 . 3.300 3.389 3.356 3.408 0.108 16 0 "[ . 1 . 2]" 2
242 3 15 PHE HA 3 17 GLU H 3.000 . 4.300 4.453 4.410 4.492 0.192 16 0 "[ . 1 . 2]" 2
243 3 15 PHE HB3 3 18 GLU H 4.000 . 6.000 5.470 5.422 5.569 . 0 0 "[ . 1 . 2]" 2
244 3 13 ALA MB 3 16 GLU H 4.000 . 5.000 4.979 4.723 5.014 0.014 6 0 "[ . 1 . 2]" 2
245 3 15 PHE QD 3 16 GLU H 3.000 . 4.000 3.955 3.818 4.021 0.021 12 0 "[ . 1 . 2]" 2
246 3 16 GLU H 3 16 GLU QB 3.000 . 3.300 2.701 2.446 2.916 . 0 0 "[ . 1 . 2]" 2
247 3 15 PHE QB 3 16 GLU H 2.500 . 3.400 3.135 3.018 3.222 . 0 0 "[ . 1 . 2]" 2
248 3 16 GLU HB3 3 17 GLU H 2.500 . 3.700 3.847 3.684 3.985 0.285 17 0 "[ . 1 . 2]" 2
249 3 16 GLU HG3 3 17 GLU H 2.500 . 2.900 1.907 1.875 1.957 . 0 0 "[ . 1 . 2]" 2
250 3 16 GLU HB3 3 18 GLU H 4.000 . 5.100 5.097 4.986 5.156 0.056 10 0 "[ . 1 . 2]" 2
251 3 16 GLU HG3 3 18 GLU H 3.000 . 4.000 4.089 4.048 4.133 0.133 5 0 "[ . 1 . 2]" 2
252 3 16 GLU HA 3 18 GLU H 2.500 . 3.600 3.528 3.360 3.641 0.041 16 0 "[ . 1 . 2]" 2
253 3 16 GLU H 3 18 GLU HB3 3.000 . 4.000 4.171 4.122 4.222 0.222 20 0 "[ . 1 . 2]" 2
254 3 16 GLU HB3 3 20 ALA H 4.000 . 6.000 5.882 5.733 6.011 0.011 14 0 "[ . 1 . 2]" 2
255 3 16 GLU HG3 3 20 ALA H 4.000 . 6.000 5.528 5.431 5.579 . 0 0 "[ . 1 . 2]" 2
256 3 16 GLU HA 3 20 ALA H 2.500 . 3.700 3.746 3.731 3.776 0.076 11 0 "[ . 1 . 2]" 2
257 3 16 GLU H 3 20 ALA H 4.000 . 6.000 5.492 5.452 5.610 . 0 0 "[ . 1 . 2]" 2
258 3 17 GLU H 3 17 GLU HB3 2.500 . 3.500 3.585 3.574 3.606 0.106 16 0 "[ . 1 . 2]" 2
259 3 17 GLU H 3 17 GLU QG 2.500 . 2.900 2.558 2.497 2.591 . 0 0 "[ . 1 . 2]" 2
260 3 17 GLU HA 3 17 GLU QG 3.000 . 3.700 2.262 2.249 2.282 . 0 0 "[ . 1 . 2]" 2
261 3 17 GLU HB3 3 18 GLU H 2.500 . 3.900 3.983 3.957 4.008 0.108 9 0 "[ . 1 . 2]" 2
262 3 17 GLU H 3 18 GLU HA 4.000 . 5.100 4.965 4.910 5.030 . 0 0 "[ . 1 . 2]" 2
263 3 17 GLU H 3 18 GLU HB3 3.000 . 4.200 4.233 4.127 4.261 0.061 7 0 "[ . 1 . 2]" 2
264 3 17 GLU HA 3 20 ALA H 2.500 . 3.300 3.368 3.319 3.425 0.125 11 0 "[ . 1 . 2]" 2
265 3 17 GLU H 3 20 ALA MB 4.000 . 6.000 5.769 4.069 6.174 0.174 18 0 "[ . 1 . 2]" 2
266 3 14 LYS QD 3 18 GLU H 4.000 . 5.100 4.431 4.065 5.254 0.154 2 0 "[ . 1 . 2]" 2
267 3 15 PHE QD 3 18 GLU H 4.000 . 6.000 5.236 5.166 5.345 . 0 0 "[ . 1 . 2]" 2
268 3 18 GLU HA 3 18 GLU HG3 3.000 . 3.700 3.433 2.898 3.500 . 0 0 "[ . 1 . 2]" 2
269 3 18 GLU H 3 19 ARG HA 4.000 . 5.200 5.232 5.193 5.333 0.133 5 0 "[ . 1 . 2]" 2
270 3 18 GLU HG3 3 19 ARG H . . 2.700 2.710 2.593 2.927 0.227 5 0 "[ . 1 . 2]" 2
271 3 18 GLU HA 3 19 ARG H 2.500 . 3.500 3.570 3.545 3.575 0.075 11 0 "[ . 1 . 2]" 2
272 3 18 GLU HB3 3 19 ARG H 2.500 . 2.900 2.332 2.248 2.418 . 0 0 "[ . 1 . 2]" 2
273 3 18 GLU HB3 3 20 ALA H 4.000 . 6.000 4.246 4.150 4.413 . 0 0 "[ . 1 . 2]" 2
274 3 18 GLU HA 3 20 ALA H 3.000 . 4.000 4.077 4.006 4.144 0.144 11 0 "[ . 1 . 2]" 2
275 3 18 GLU H 3 20 ALA H 4.000 . 6.000 3.185 3.137 3.275 . 0 0 "[ . 1 . 2]" 2
276 3 19 ARG H 3 19 ARG QD 3.000 . 4.300 3.604 3.419 3.944 . 0 0 "[ . 1 . 2]" 2
277 3 19 ARG H 3 19 ARG QB 2.500 . 2.700 2.661 2.609 2.751 0.051 12 0 "[ . 1 . 2]" 2
278 3 19 ARG HB3 3 20 ALA H 3.000 . 4.300 4.257 4.207 4.339 0.039 12 0 "[ . 1 . 2]" 2
279 3 19 ARG HA 3 20 ALA H 2.500 . 3.400 3.379 3.354 3.425 0.025 11 0 "[ . 1 . 2]" 2
280 3 19 ARG QB 3 20 ALA H 2.500 . 3.700 3.749 3.710 3.782 0.082 9 0 "[ . 1 . 2]" 2
281 3 19 ARG QG 3 20 ALA H 2.500 . 2.700 2.641 2.495 2.709 0.009 19 0 "[ . 1 . 2]" 2
282 3 20 ALA H 3 20 ALA HA 2.500 . 2.700 2.400 2.336 2.955 0.255 11 0 "[ . 1 . 2]" 2
283 3 20 ALA H 3 20 ALA MB 2.500 . 3.100 2.811 2.247 2.953 . 0 0 "[ . 1 . 2]" 2
284 3 18 GLU HG3 3 20 ALA H 4.000 . 5.000 4.729 4.667 4.813 . 0 0 "[ . 1 . 2]" 2
285 3 20 ALA H 3 21 ARG HB3 4.000 . 5.600 5.476 4.978 5.837 0.237 18 0 "[ . 1 . 2]" 2
286 3 21 ARG H 3 21 ARG QG 3.000 . 4.100 3.344 1.797 4.302 0.202 4 0 "[ . 1 . 2]" 2
287 3 17 GLU QG 3 21 ARG H 4.000 . 6.000 6.018 4.868 6.636 0.636 1 9 "[+ **- **** . * 2]" 2
288 3 21 ARG H 3 21 ARG QD 4.000 . 5.000 4.451 3.530 5.046 0.046 18 0 "[ . 1 . 2]" 2
289 3 21 ARG HA 3 22 ALA H 2.500 . 3.500 3.089 2.423 3.567 0.067 6 0 "[ . 1 . 2]" 2
290 3 21 ARG HB3 3 22 ALA H 2.500 . 3.400 2.790 1.793 3.653 0.253 20 0 "[ . 1 . 2]" 2
291 3 21 ARG H 3 22 ALA MB 4.000 . 5.200 4.779 3.465 5.224 0.024 11 0 "[ . 1 . 2]" 2
292 3 21 ARG QB 3 22 ALA H 3.000 . 3.300 2.182 1.787 3.297 0.013 9 0 "[ . 1 . 2]" 2
293 3 21 ARG QG 3 22 ALA H 2.500 . 2.700 2.095 1.746 2.723 0.054 20 0 "[ . 1 . 2]" 2
294 3 22 ALA H 3 22 ALA HA 2.500 . 3.000 2.736 2.341 3.007 0.007 14 0 "[ . 1 . 2]" 2
295 3 22 ALA H 3 22 ALA MB 2.500 . 3.000 2.739 2.224 2.895 . 0 0 "[ . 1 . 2]" 2
296 3 22 ALA HA 3 23 LYS H 2.500 . 2.700 2.563 2.303 2.741 0.041 8 0 "[ . 1 . 2]" 2
297 3 22 ALA MB 3 23 LYS H 2.500 . 2.700 2.250 1.904 2.726 0.026 18 0 "[ . 1 . 2]" 2
298 3 23 LYS H 3 23 LYS QG 2.500 . 2.700 2.257 1.828 2.609 . 0 0 "[ . 1 . 2]" 2
299 3 23 LYS QG 3 24 TRP H 4.000 . 6.000 3.865 2.928 4.766 . 0 0 "[ . 1 . 2]" 2
300 3 24 TRP H 3 24 TRP HD1 4.000 . 6.000 3.263 2.124 4.798 . 0 0 "[ . 1 . 2]" 2
301 3 24 TRP HA 3 24 TRP HE1 4.000 . 6.300 5.501 4.694 6.221 . 0 0 "[ . 1 . 2]" 2
302 3 23 LYS HA 3 24 TRP H 4.000 . 6.000 2.678 2.192 3.570 . 0 0 "[ . 1 . 2]" 2
303 3 23 LYS QB 3 24 TRP H 4.000 . 6.000 2.403 1.786 3.702 0.014 8 0 "[ . 1 . 2]" 2
304 3 24 TRP H 3 24 TRP HA 2.500 . 3.000 2.849 2.346 2.952 . 0 0 "[ . 1 . 2]" 2
305 3 23 LYS HA 3 24 TRP HE1 4.000 . 6.000 5.081 4.089 6.004 0.004 8 0 "[ . 1 . 2]" 2
306 3 23 LYS QB 3 24 TRP HE1 4.000 . 6.000 5.288 3.363 6.006 0.006 20 0 "[ . 1 . 2]" 2
307 3 24 TRP QB 3 25 ASP H 4.000 . 6.000 3.159 2.120 4.038 . 0 0 "[ . 1 . 2]" 2
308 3 25 ASP H 3 25 ASP HA 2.500 . 3.000 2.908 2.851 2.978 . 0 0 "[ . 1 . 2]" 2
309 3 25 ASP H 3 25 ASP HB2 2.500 . 4.000 3.142 2.484 3.648 . 0 0 "[ . 1 . 2]" 2
310 3 25 ASP H 3 25 ASP HB3 2.500 . 2.700 2.617 2.449 2.766 0.066 1 0 "[ . 1 . 2]" 2
311 3 25 ASP HB3 3 26 THR H 4.000 . 6.000 3.470 1.813 4.480 . 0 0 "[ . 1 . 2]" 2
312 3 25 ASP H 3 26 THR H 4.000 . 6.000 4.090 2.656 4.675 . 0 0 "[ . 1 . 2]" 2
313 3 25 ASP HB2 3 26 THR H 4.000 . 6.000 3.271 1.855 4.660 . 0 0 "[ . 1 . 2]" 2
314 3 26 THR H 3 26 THR HA 2.500 . 2.700 2.808 2.769 2.861 0.161 16 0 "[ . 1 . 2]" 2
315 3 26 THR H 3 26 THR HB 2.500 . 3.700 3.564 2.507 3.721 0.021 2 0 "[ . 1 . 2]" 2
316 3 26 THR H 3 26 THR MG 2.500 . 2.700 2.176 1.798 2.581 0.002 13 0 "[ . 1 . 2]" 2
317 3 26 THR MG 3 27 ALA H 4.000 . 6.000 3.739 2.754 4.350 . 0 0 "[ . 1 . 2]" 2
318 3 26 THR HB 3 27 ALA H 4.000 . 6.000 3.453 2.010 4.689 . 0 0 "[ . 1 . 2]" 2
319 3 27 ALA H 3 27 ALA MB 2.500 . 2.700 2.497 2.226 2.855 0.155 1 0 "[ . 1 . 2]" 2
320 3 28 ASN H 3 28 ASN HB2 3.000 . 3.700 3.287 2.498 3.810 0.110 14 0 "[ . 1 . 2]" 2
321 3 28 ASN HB3 3 28 ASN HD22 3.000 . 3.600 3.548 3.503 3.633 0.033 16 0 "[ . 1 . 2]" 2
322 3 28 ASN HB2 3 28 ASN HD21 3.000 . 3.300 3.102 2.745 3.356 0.056 4 0 "[ . 1 . 2]" 2
323 3 27 ALA HA 3 28 ASN H 4.000 . 6.000 2.768 2.191 3.570 . 0 0 "[ . 1 . 2]" 2
324 3 27 ALA MB 3 28 ASN H 4.000 . 6.000 2.462 1.780 3.478 0.020 1 0 "[ . 1 . 2]" 2
325 3 28 ASN H 3 28 ASN HA 2.500 . 3.000 2.869 2.341 2.979 . 0 0 "[ . 1 . 2]" 2
326 3 28 ASN H 3 28 ASN HB3 2.500 . 3.900 3.411 2.779 3.970 0.070 6 0 "[ . 1 . 2]" 2
327 3 28 ASN HB2 3 28 ASN HD22 2.500 . 4.000 3.874 3.711 3.993 . 0 0 "[ . 1 . 2]" 2
328 3 28 ASN HB3 3 28 ASN HD21 2.500 . 2.700 2.344 2.233 2.568 . 0 0 "[ . 1 . 2]" 2
329 3 28 ASN H 3 28 ASN HD21 4.000 . 5.000 4.140 3.077 5.046 0.046 4 0 "[ . 1 . 2]" 2
330 3 27 ALA MB 3 28 ASN HD21 4.000 . 6.000 5.556 4.665 6.016 0.016 16 0 "[ . 1 . 2]" 2
331 3 27 ALA MB 3 28 ASN HD22 4.000 . 6.000 5.265 4.362 5.907 . 0 0 "[ . 1 . 2]" 2
332 3 29 ASN HB2 3 29 ASN HD21 3.000 . 3.300 2.754 2.660 2.793 . 0 0 "[ . 1 . 2]" 2
333 3 29 ASN HB2 3 29 ASN HD22 3.000 . 3.700 3.713 3.673 3.730 0.030 17 0 "[ . 1 . 2]" 2
334 3 29 ASN HB3 3 29 ASN HD22 3.000 . 3.600 3.627 3.613 3.658 0.058 7 0 "[ . 1 . 2]" 2
335 3 28 ASN HA 3 29 ASN H 4.000 . 6.000 2.560 2.184 3.240 . 0 0 "[ . 1 . 2]" 2
336 3 29 ASN H 3 29 ASN HB2 2.500 . 2.700 2.473 2.268 2.806 0.106 17 0 "[ . 1 . 2]" 2
337 3 29 ASN H 3 29 ASN HB3 2.500 . 3.600 3.271 2.741 3.756 0.156 13 0 "[ . 1 . 2]" 2
338 3 29 ASN HB3 3 29 ASN HD21 2.500 . 2.700 2.555 2.520 2.636 . 0 0 "[ . 1 . 2]" 2
339 3 30 PRO QB 3 31 LEU H 4.000 . 6.000 2.133 1.803 3.176 . 0 0 "[ . 1 . 2]" 2
340 3 31 LEU H 3 31 LEU QD 3.000 . 3.300 2.545 1.763 3.109 0.037 13 0 "[ . 1 . 2]" 2
341 3 30 PRO HA 3 31 LEU H 4.000 . 6.000 3.182 2.245 3.590 . 0 0 "[ . 1 . 2]" 2
342 3 30 PRO QD 3 31 LEU H 4.000 . 6.000 3.924 2.939 5.012 . 0 0 "[ . 1 . 2]" 2
343 3 31 LEU H 3 31 LEU HA 2.500 . 3.000 2.790 2.352 2.963 . 0 0 "[ . 1 . 2]" 2
344 3 31 LEU H 3 31 LEU QB 2.500 . 3.300 2.805 2.343 3.365 0.065 15 0 "[ . 1 . 2]" 2
345 3 31 LEU H 3 31 LEU HG 2.500 . 2.700 2.079 1.796 2.616 0.004 7 0 "[ . 1 . 2]" 2
346 3 30 PRO QG 3 31 LEU H 4.000 . 6.000 3.735 1.842 4.565 . 0 0 "[ . 1 . 2]" 2
347 3 31 LEU HG 3 32 TYR H 4.000 . 6.000 5.134 4.592 5.332 . 0 0 "[ . 1 . 2]" 2
348 3 32 TYR H 3 32 TYR QE 3.000 . 4.600 4.382 4.223 4.600 0.000 10 0 "[ . 1 . 2]" 2
349 3 29 ASN H 3 32 TYR H 4.000 . 8.000 7.572 6.690 8.012 0.012 10 0 "[ . 1 . 2]" 2
350 3 31 LEU HA 3 32 TYR H 4.000 . 6.000 2.233 2.191 2.370 . 0 0 "[ . 1 . 2]" 2
351 3 31 LEU QB 3 32 TYR H 4.000 . 6.000 3.502 3.210 3.861 . 0 0 "[ . 1 . 2]" 2
352 3 32 TYR H 3 32 TYR HA 2.500 . 3.000 2.874 2.811 2.917 . 0 0 "[ . 1 . 2]" 2
353 3 32 TYR H 3 32 TYR HB2 2.500 . 4.000 2.298 2.235 2.341 . 0 0 "[ . 1 . 2]" 2
354 3 32 TYR H 3 32 TYR HB3 2.500 . 3.600 3.581 3.551 3.599 . 0 0 "[ . 1 . 2]" 2
355 3 31 LEU QD 3 32 TYR H 4.000 . 7.000 3.942 3.710 4.544 . 0 0 "[ . 1 . 2]" 2
356 3 32 TYR HB3 3 33 LYS H 4.000 . 6.000 2.517 1.943 4.226 . 0 0 "[ . 1 . 2]" 2
357 3 33 LYS H 3 33 LYS QB 3.000 . 3.300 3.304 2.538 3.480 0.180 7 0 "[ . 1 . 2]" 2
358 3 32 TYR HA 3 33 LYS H 4.000 . 6.000 2.539 2.262 2.699 . 0 0 "[ . 1 . 2]" 2
359 3 33 LYS H 3 33 LYS HA 2.500 . 3.000 2.863 2.804 2.936 . 0 0 "[ . 1 . 2]" 2
360 3 33 LYS H 3 33 LYS QD 2.500 . 3.300 3.062 2.108 3.555 0.255 10 0 "[ . 1 . 2]" 2
361 3 32 TYR HB2 3 33 LYS H 4.000 . 6.000 3.737 3.368 4.563 . 0 0 "[ . 1 . 2]" 2
362 3 32 TYR QD 3 33 LYS H 4.000 . 6.400 3.697 3.320 4.842 . 0 0 "[ . 1 . 2]" 2
363 3 33 LYS H 3 34 GLU H 4.000 . 6.000 2.501 1.755 4.653 0.045 12 0 "[ . 1 . 2]" 2
364 3 34 GLU H 3 34 GLU QB 3.000 . 3.300 2.723 2.503 3.432 0.132 18 0 "[ . 1 . 2]" 2
365 3 33 LYS HA 3 34 GLU H 4.000 . 6.000 2.814 2.254 3.071 . 0 0 "[ . 1 . 2]" 2
366 3 33 LYS QB 3 34 GLU H 4.000 . 6.000 3.812 2.201 4.059 . 0 0 "[ . 1 . 2]" 2
367 3 33 LYS QG 3 34 GLU H 4.000 . 6.000 3.910 3.357 4.447 . 0 0 "[ . 1 . 2]" 2
368 3 34 GLU H 3 34 GLU HG3 2.500 . 2.700 2.116 1.813 2.734 0.034 18 0 "[ . 1 . 2]" 2
369 3 34 GLU H 3 34 GLU HG2 2.500 . 3.100 2.983 2.660 3.199 0.099 9 0 "[ . 1 . 2]" 2
370 3 33 LYS QD 3 34 GLU H 4.000 . 6.000 4.237 2.931 5.860 . 0 0 "[ . 1 . 2]" 2
371 3 34 GLU QB 3 35 ALA H 4.000 . 7.000 2.586 1.909 3.771 . 0 0 "[ . 1 . 2]" 2
372 3 34 GLU HG2 3 35 ALA H 4.000 . 7.000 4.488 4.105 5.378 . 0 0 "[ . 1 . 2]" 2
373 3 34 GLU HA 3 35 ALA H 4.000 . 6.000 2.537 2.191 2.844 . 0 0 "[ . 1 . 2]" 2
374 3 35 ALA H 3 35 ALA HA 2.500 . 3.000 2.875 2.740 2.949 . 0 0 "[ . 1 . 2]" 2
375 3 35 ALA H 3 35 ALA MB 2.500 . 2.700 2.533 2.145 2.784 0.084 3 0 "[ . 1 . 2]" 2
376 3 34 GLU HG3 3 35 ALA H 4.000 . 7.000 4.858 3.638 5.430 . 0 0 "[ . 1 . 2]" 2
377 3 35 ALA MB 3 36 THR H 4.000 . 6.000 2.420 1.973 3.433 . 0 0 "[ . 1 . 2]" 2
378 3 36 THR H 3 36 THR MG 3.000 . 4.000 3.878 3.755 4.026 0.026 1 0 "[ . 1 . 2]" 2
379 3 35 ALA HA 3 36 THR H 4.000 . 6.000 2.517 2.224 2.857 . 0 0 "[ . 1 . 2]" 2
380 3 35 ALA H 3 36 THR H 4.000 . 6.000 4.437 3.858 4.696 . 0 0 "[ . 1 . 2]" 2
381 3 35 ALA MB 3 37 SER H 4.000 . 7.000 4.613 3.451 5.570 . 0 0 "[ . 1 . 2]" 2
382 3 36 THR HB 3 37 SER H 4.000 . 6.000 4.080 3.405 4.539 . 0 0 "[ . 1 . 2]" 2
383 3 37 SER H 3 37 SER HA 3.000 . 3.300 2.910 2.339 2.997 . 0 0 "[ . 1 . 2]" 2
384 3 37 SER H 3 37 SER QB 3.000 . 3.300 2.788 2.377 3.305 0.005 20 0 "[ . 1 . 2]" 2
385 3 36 THR HA 3 37 SER H 4.000 . 6.000 2.357 2.202 2.505 . 0 0 "[ . 1 . 2]" 2
386 3 36 THR MG 3 37 SER H 4.000 . 6.000 2.782 1.747 3.812 0.053 9 0 "[ . 1 . 2]" 2
387 3 36 THR H 3 37 SER H 4.000 . 6.000 4.127 3.110 4.646 . 0 0 "[ . 1 . 2]" 2
388 3 37 SER HA 3 38 THR H 4.000 . 6.000 2.373 2.193 2.624 . 0 0 "[ . 1 . 2]" 2
389 3 37 SER QB 3 38 THR H 4.000 . 6.000 3.503 2.566 4.069 . 0 0 "[ . 1 . 2]" 2
390 3 38 THR H 3 38 THR MG 4.000 . 5.000 3.282 2.405 4.091 . 0 0 "[ . 1 . 2]" 2
391 3 38 THR H 3 38 THR HB 4.000 . 6.000 3.497 2.660 3.950 . 0 0 "[ . 1 . 2]" 2
392 3 38 THR MG 3 39 PHE H 4.000 . 6.000 2.648 1.772 3.899 0.028 20 0 "[ . 1 . 2]" 2
393 3 39 PHE H 3 39 PHE HB2 3.000 . 3.700 3.302 2.466 3.808 0.108 3 0 "[ . 1 . 2]" 2
394 3 39 PHE H 3 39 PHE HB3 2.500 . 3.700 3.176 2.528 3.833 0.133 15 0 "[ . 1 . 2]" 2
395 3 40 THR H 3 40 THR HB 4.000 . 5.000 3.308 2.578 4.070 . 0 0 "[ . 1 . 2]" 2
396 3 40 THR H 3 40 THR MG 4.000 . 5.000 3.123 1.795 4.065 0.005 1 0 "[ . 1 . 2]" 2
397 3 39 PHE HB2 3 40 THR H 4.000 . 7.000 3.702 1.808 4.684 . 0 0 "[ . 1 . 2]" 2
398 3 39 PHE HB3 3 40 THR H 4.000 . 7.000 3.245 1.797 4.464 0.003 6 0 "[ . 1 . 2]" 2
399 3 40 THR HA 3 41 ASN H 4.000 . 6.000 2.611 2.200 3.584 . 0 0 "[ . 1 . 2]" 2
400 3 41 ASN H 3 41 ASN HB2 3.000 . 3.300 2.784 2.368 3.334 0.034 20 0 "[ . 1 . 2]" 2
401 3 41 ASN HB2 3 41 ASN HD21 3.000 . 3.300 2.267 2.246 2.333 . 0 0 "[ . 1 . 2]" 2
402 3 41 ASN HB2 3 41 ASN HD22 2.500 . 3.500 3.518 3.511 3.540 0.040 8 0 "[ . 1 . 2]" 2
403 3 40 THR HB 3 41 ASN H 4.000 . 6.000 3.570 1.801 4.467 . 0 0 "[ . 1 . 2]" 2
404 3 40 THR MG 3 41 ASN H 4.000 . 6.000 3.460 1.839 4.370 . 0 0 "[ . 1 . 2]" 2
405 3 41 ASN H 3 41 ASN HB3 4.000 . 5.000 3.434 2.608 3.995 . 0 0 "[ . 1 . 2]" 2
406 3 42 ILE H 3 42 ILE HA 3.000 . 3.300 2.861 2.792 2.928 . 0 0 "[ . 1 . 2]" 2
407 3 42 ILE H 3 42 ILE HB 3.000 . 3.300 2.640 2.433 3.550 0.250 1 0 "[ . 1 . 2]" 2
408 3 42 ILE H 3 42 ILE MD 3.000 . 4.200 3.702 2.406 4.316 0.116 10 0 "[ . 1 . 2]" 2
409 3 42 ILE H 3 42 ILE MG 3.000 . 3.800 3.012 1.936 3.789 . 0 0 "[ . 1 . 2]" 2
410 3 41 ASN HA 3 42 ILE H 4.000 . 6.000 2.929 2.196 3.588 . 0 0 "[ . 1 . 2]" 2
411 3 41 ASN QB 3 42 ILE H 4.000 . 6.000 3.028 1.798 4.051 0.002 7 0 "[ . 1 . 2]" 2
412 3 42 ILE H 3 42 ILE HG12 4.000 . 5.000 3.545 1.799 4.692 0.001 1 0 "[ . 1 . 2]" 2
413 3 42 ILE MD 3 43 THR H 4.000 . 6.000 4.105 2.039 5.491 . 0 0 "[ . 1 . 2]" 2
414 3 42 ILE MG 3 43 THR H 4.000 . 6.000 2.873 1.944 3.582 . 0 0 "[ . 1 . 2]" 2
415 3 42 ILE HA 3 43 THR H 4.000 . 6.000 2.621 2.193 3.548 . 0 0 "[ . 1 . 2]" 2
416 3 42 ILE HB 3 43 THR H 4.000 . 6.000 3.604 1.800 4.489 0.000 8 0 "[ . 1 . 2]" 2
417 3 42 ILE HG12 3 43 THR H 4.000 . 6.000 4.056 2.155 5.222 . 0 0 "[ . 1 . 2]" 2
418 3 43 THR HB 3 44 TYR H 4.000 . 6.000 3.808 2.259 4.584 . 0 0 "[ . 1 . 2]" 2
419 3 43 THR MG 3 44 TYR H 3.000 . 3.300 2.873 1.892 3.536 0.236 12 0 "[ . 1 . 2]" 2
420 3 44 TYR H 3 44 TYR HA 3.000 . 3.300 2.794 2.347 2.942 . 0 0 "[ . 1 . 2]" 2
421 3 42 ILE QG 3 44 TYR H 3.000 . 3.300 2.470 1.790 3.466 0.166 10 0 "[ . 1 . 2]" 2
422 3 43 THR HA 3 44 TYR H 4.000 . 6.000 3.333 2.248 3.589 . 0 0 "[ . 1 . 2]" 2
423 3 44 TYR H 3 45 ARG QD 4.000 . 6.000 5.382 4.185 6.041 0.041 6 0 "[ . 1 . 2]" 2
424 3 42 ILE MD 3 44 TYR H 4.000 . 5.400 4.448 3.138 5.542 0.142 12 0 "[ . 1 . 2]" 2
425 3 45 ARG H 3 45 ARG HB2 3.000 . 3.600 3.080 2.354 3.633 0.033 19 0 "[ . 1 . 2]" 2
426 3 45 ARG H 3 45 ARG HB3 3.000 . 4.100 3.427 2.555 4.074 . 0 0 "[ . 1 . 2]" 2
427 3 45 ARG H 3 45 ARG QD 3.000 . 3.300 2.732 1.788 3.345 0.045 2 0 "[ . 1 . 2]" 2
428 3 45 ARG H 3 45 ARG QG 3.000 . 3.300 2.292 1.857 3.349 0.049 10 0 "[ . 1 . 2]" 2
429 3 44 TYR HA 3 45 ARG H 4.000 . 6.000 2.481 2.192 3.499 . 0 0 "[ . 1 . 2]" 2
430 3 45 ARG HA 3 46 GLY H 3.000 . 3.300 2.755 2.216 3.334 0.034 10 0 "[ . 1 . 2]" 2
431 3 46 GLY H 3 46 GLY QA 2.500 . 2.700 2.377 2.237 2.536 . 0 0 "[ . 1 . 2]" 2
432 3 47 THR H 3 47 THR HB 3.000 . 3.300 2.886 2.474 3.536 0.236 18 0 "[ . 1 . 2]" 2
433 3 46 GLY QA 3 47 THR H 2.500 . 2.700 2.334 2.158 2.727 0.027 8 0 "[ . 1 . 2]" 2
434 3 47 THR H 3 47 THR MG 4.000 . 5.000 3.232 1.739 4.037 0.061 2 0 "[ . 1 . 2]" 2
435 1 34 GLY H 2 2 LYS QD 4.000 . 7.000 6.555 5.523 7.053 0.053 9 0 "[ . 1 . 2]" 2
436 1 34 GLY H 2 2 LYS QE 4.000 . 6.000 5.807 4.972 6.081 0.081 4 0 "[ . 1 . 2]" 2
437 1 38 ILE H 2 10 ARG QD 4.000 . 7.000 5.663 4.423 6.982 . 0 0 "[ . 1 . 2]" 2
438 1 38 ILE H 2 10 ARG HA 4.000 . 7.000 7.024 6.706 7.100 0.100 14 0 "[ . 1 . 2]" 2
439 1 38 ILE H 2 10 ARG H 4.000 . 7.000 7.014 6.546 7.171 0.171 3 0 "[ . 1 . 2]" 2
440 1 3 ALA H 2 2 LYS HB2 4.000 . 7.000 7.107 7.046 7.229 0.229 16 0 "[ . 1 . 2]" 2
441 1 34 GLY H 3 4 ILE HB 4.000 . 7.000 4.815 2.784 7.008 0.008 15 0 "[ . 1 . 2]" 2
442 1 34 GLY H 3 6 ILE HB 4.000 . 7.000 7.081 7.003 7.215 0.215 9 0 "[ . 1 . 2]" 2
443 1 34 GLY H 3 4 ILE MD 4.000 . 7.000 5.371 3.813 6.991 . 0 0 "[ . 1 . 2]" 2
444 1 34 GLY H 3 6 ILE MD 4.000 . 7.000 5.990 4.894 7.022 0.022 8 0 "[ . 1 . 2]" 2
445 1 34 GLY H 3 4 ILE HG12 4.000 . 7.000 6.091 4.521 7.035 0.035 6 0 "[ . 1 . 2]" 2
446 1 34 GLY H 3 6 ILE HG12 4.000 . 7.000 6.064 5.121 7.002 0.002 7 0 "[ . 1 . 2]" 2
447 1 36 LEU MD1 3 39 PHE HB2 4.000 . 6.500 4.803 2.325 6.525 0.025 9 0 "[ . 1 . 2]" 2
448 1 40 VAL H 3 36 THR HA 4.000 . 6.000 6.281 6.123 6.446 0.446 19 0 "[ . 1 . 2]" 2
449 1 42 GLY H 3 33 LYS HB3 4.000 . 7.000 4.920 3.089 5.288 . 0 0 "[ . 1 . 2]" 2
450 1 49 SER H 3 42 ILE MD 4.000 . 7.000 6.874 6.459 7.041 0.041 4 0 "[ . 1 . 2]" 2
451 1 52 ASP H 3 44 TYR HB3 4.000 . 7.000 5.728 3.757 6.954 . 0 0 "[ . 1 . 2]" 2
452 1 56 GLY H 3 46 GLY HA2 4.000 . 7.000 6.326 5.145 6.975 . 0 0 "[ . 1 . 2]" 2
453 1 42 GLY QA 3 33 LYS H 4.000 . 6.000 6.237 6.130 6.351 0.351 7 0 "[ . 1 . 2]" 2
454 1 42 GLY H 3 33 LYS H 4.000 . 6.000 4.930 4.341 5.318 . 0 0 "[ . 1 . 2]" 2
455 1 40 VAL H 3 34 GLU H 4.000 . 6.000 3.945 2.245 4.855 . 0 0 "[ . 1 . 2]" 2
456 1 38 ILE H 3 35 ALA H 4.000 . 6.000 6.368 6.264 6.516 0.516 7 1 "[ . + 1 . 2]" 2
457 1 39 ALA MB 3 35 ALA H 4.000 . 6.000 5.051 3.353 5.870 . 0 0 "[ . 1 . 2]" 2
458 1 37 ALA H 3 36 THR H 4.000 . 6.000 6.168 6.048 6.305 0.305 14 0 "[ . 1 . 2]" 2
459 1 38 ILE HB 3 36 THR H 4.000 . 6.000 5.081 4.622 5.727 . 0 0 "[ . 1 . 2]" 2
460 1 36 LEU MD1 3 38 THR H 4.000 . 6.000 4.762 2.835 6.087 0.087 19 0 "[ . 1 . 2]" 2
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