NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615409 |
5ml1   |
34072 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ml1
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 1377
_Distance_constraint_stats_list.Viol_count 2590
_Distance_constraint_stats_list.Viol_total 4538.250
_Distance_constraint_stats_list.Viol_max 1.108
_Distance_constraint_stats_list.Viol_rms 0.0367
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0876
_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 5 SER 0.976 0.149 19 0 "[ . 1 . 2]"
1 6 VAL 2.228 0.386 18 0 "[ . 1 . 2]"
1 7 PHE 3.410 0.386 18 0 "[ . 1 . 2]"
1 8 GLY 3.965 0.292 14 0 "[ . 1 . 2]"
1 9 ALA 3.363 0.408 14 0 "[ . 1 . 2]"
1 10 GLY 0.863 0.173 8 0 "[ . 1 . 2]"
1 11 CYS 7.584 0.408 14 0 "[ . 1 . 2]"
1 12 THR 6.092 0.268 7 0 "[ . 1 . 2]"
1 13 ASP 1.514 0.117 10 0 "[ . 1 . 2]"
1 14 VAL 2.341 0.179 11 0 "[ . 1 . 2]"
1 15 CYS 3.749 0.240 3 0 "[ . 1 . 2]"
1 16 LYS 8.901 0.278 14 0 "[ . 1 . 2]"
1 17 GLN 2.715 0.278 14 0 "[ . 1 . 2]"
1 18 THR 4.505 0.302 2 0 "[ . 1 . 2]"
1 19 PRO 0.425 0.064 10 0 "[ . 1 . 2]"
1 20 CYS 3.238 0.184 1 0 "[ . 1 . 2]"
1 21 GLY 6.881 0.302 2 0 "[ . 1 . 2]"
1 22 CYS 2.316 0.128 12 0 "[ . 1 . 2]"
1 23 ALA 4.039 0.128 11 0 "[ . 1 . 2]"
1 24 THR 3.684 0.404 19 0 "[ . 1 . 2]"
1 25 SER 3.848 0.236 3 0 "[ . 1 . 2]"
1 26 GLY 3.545 0.248 14 0 "[ . 1 . 2]"
1 27 CYS 1.964 0.163 14 0 "[ . 1 . 2]"
1 28 ASN 2.938 0.268 7 0 "[ . 1 . 2]"
1 29 CYS 3.057 0.284 11 0 "[ . 1 . 2]"
1 30 THR 1.689 0.165 18 0 "[ . 1 . 2]"
1 31 ASP 0.449 0.070 18 0 "[ . 1 . 2]"
1 32 ASP 1.892 0.255 20 0 "[ . 1 . 2]"
1 33 CYS 2.893 0.284 11 0 "[ . 1 . 2]"
1 34 LYS 3.469 0.228 19 0 "[ . 1 . 2]"
1 35 CYS 3.526 0.288 18 0 "[ . 1 . 2]"
1 36 GLN 1.974 0.277 19 0 "[ . 1 . 2]"
1 37 SER 2.945 0.184 1 0 "[ . 1 . 2]"
1 38 CYS 4.024 0.236 16 0 "[ . 1 . 2]"
1 39 LYS 6.887 0.306 12 0 "[ . 1 . 2]"
1 40 TYR 2.657 0.518 11 1 "[ . 1+ . 2]"
1 41 GLY 3.123 0.518 11 1 "[ . 1+ . 2]"
1 42 ALA 1.410 0.156 12 0 "[ . 1 . 2]"
1 43 GLY 9.016 0.271 9 0 "[ . 1 . 2]"
1 44 CYS 7.254 0.290 16 0 "[ . 1 . 2]"
1 45 THR 3.116 0.402 6 0 "[ . 1 . 2]"
1 46 ASP 3.482 0.196 18 0 "[ . 1 . 2]"
1 47 THR 3.361 0.252 14 0 "[ . 1 . 2]"
1 48 CYS 1.475 0.235 14 0 "[ . 1 . 2]"
1 49 LYS 5.600 0.443 14 0 "[ . 1 . 2]"
1 50 GLN 14.487 0.361 12 0 "[ . 1 . 2]"
1 51 THR 4.087 0.231 3 0 "[ . 1 . 2]"
1 52 PRO 1.969 0.196 3 0 "[ . 1 . 2]"
1 53 CYS 4.949 0.242 13 0 "[ . 1 . 2]"
1 54 GLY 4.158 0.231 3 0 "[ . 1 . 2]"
1 55 CYS 4.150 0.221 5 0 "[ . 1 . 2]"
1 56 GLY 1.731 0.134 12 0 "[ . 1 . 2]"
1 57 SER 0.925 0.117 15 0 "[ . 1 . 2]"
1 58 GLY 2.197 0.134 12 0 "[ . 1 . 2]"
1 59 CYS 3.502 0.221 5 0 "[ . 1 . 2]"
1 60 ASN 0.457 0.134 7 0 "[ . 1 . 2]"
1 61 CYS 4.085 0.196 18 0 "[ . 1 . 2]"
1 62 LYS 11.984 0.290 16 0 "[ . 1 . 2]"
1 63 GLU 2.181 0.195 2 0 "[ . 1 . 2]"
1 64 ASP 10.205 0.464 14 0 "[ . 1 . 2]"
1 65 CYS 5.207 0.232 11 0 "[ . 1 . 2]"
1 66 ARG 2.832 0.271 8 0 "[ . 1 . 2]"
1 67 CYS 2.932 0.240 3 0 "[ . 1 . 2]"
1 68 GLN 5.082 0.327 3 0 "[ . 1 . 2]"
1 69 SER 4.756 0.195 11 0 "[ . 1 . 2]"
1 70 CYS 5.131 0.195 11 0 "[ . 1 . 2]"
1 71 SER 3.528 0.240 3 0 "[ . 1 . 2]"
1 72 THR 8.574 0.439 18 0 "[ . 1 . 2]"
1 73 ALA 1.633 0.135 12 0 "[ . 1 . 2]"
1 74 CYS 8.290 1.108 13 2 "[ . - 1 + . 2]"
1 75 LYS 10.035 0.780 13 2 "[ . - + . 2]"
1 76 CYS 9.194 0.356 5 0 "[ . 1 . 2]"
1 77 ALA 7.714 0.478 10 0 "[ . 1 . 2]"
1 78 ALA 2.050 0.239 9 0 "[ . 1 . 2]"
1 79 GLY 2.428 0.478 10 0 "[ . 1 . 2]"
1 80 SER 6.336 0.374 13 0 "[ . 1 . 2]"
1 81 CYS 12.254 0.565 18 1 "[ . 1 . + 2]"
1 82 LYS 2.308 0.239 14 0 "[ . 1 . 2]"
1 83 CYS 2.391 0.205 16 0 "[ . 1 . 2]"
1 84 GLY 2.902 0.254 17 0 "[ . 1 . 2]"
1 85 LYS 3.956 0.432 2 0 "[ . 1 . 2]"
1 86 GLY 2.669 0.432 2 0 "[ . 1 . 2]"
1 87 CYS 5.704 0.306 7 0 "[ . 1 . 2]"
1 88 THR 2.657 0.204 18 0 "[ . 1 . 2]"
1 89 GLY 5.860 0.565 18 1 "[ . 1 . + 2]"
1 90 PRO 2.588 0.154 20 0 "[ . 1 . 2]"
1 91 ASP 1.295 0.149 10 0 "[ . 1 . 2]"
1 92 SER 1.757 0.180 13 0 "[ . 1 . 2]"
1 93 CYS 3.226 0.264 17 0 "[ . 1 . 2]"
1 94 LYS 4.645 0.327 3 0 "[ . 1 . 2]"
1 95 CYS 2.154 0.298 5 0 "[ . 1 . 2]"
1 96 ASP 5.291 0.464 14 0 "[ . 1 . 2]"
1 97 ARG 12.812 0.464 2 0 "[ . 1 . 2]"
1 98 SER 4.321 0.464 2 0 "[ . 1 . 2]"
1 99 CYS 5.858 0.664 8 1 "[ . + 1 . 2]"
1 100 SER 1.886 0.247 13 0 "[ . 1 . 2]"
1 101 CYS 0.947 0.133 8 0 "[ . 1 . 2]"
1 102 LYS 16.885 1.108 13 3 "[ . * - + . 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 5 SER HA 1 6 VAL H . . 3.160 2.283 2.096 2.823 . 0 0 "[ . 1 . 2]" 1
2 1 5 SER HA 1 6 VAL HB . . 4.620 4.552 4.006 4.769 0.149 19 0 "[ . 1 . 2]" 1
3 1 5 SER HA 1 6 VAL MG1 . . 4.550 3.872 3.385 4.218 . 0 0 "[ . 1 . 2]" 1
4 1 5 SER HA 1 7 PHE H . . 4.980 3.616 2.974 4.989 0.009 18 0 "[ . 1 . 2]" 1
5 1 5 SER QB 1 6 VAL H . . 4.040 3.526 2.199 3.986 . 0 0 "[ . 1 . 2]" 1
6 1 5 SER QB 1 7 PHE H . . 4.310 3.616 2.814 4.419 0.109 5 0 "[ . 1 . 2]" 1
7 1 5 SER HB2 1 6 VAL H . . 4.640 4.067 2.220 4.544 . 0 0 "[ . 1 . 2]" 1
8 1 5 SER HB3 1 6 VAL H . . 4.640 3.991 2.886 4.501 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL H 1 6 VAL HB . . 3.640 2.692 2.462 3.256 . 0 0 "[ . 1 . 2]" 1
10 1 6 VAL H 1 6 VAL MG1 . . 3.170 2.247 1.952 3.477 0.307 5 0 "[ . 1 . 2]" 1
11 1 6 VAL HA 1 6 VAL MG2 . . 3.380 2.323 2.274 2.371 . 0 0 "[ . 1 . 2]" 1
12 1 6 VAL HA 1 34 LYS HB2 . . 4.190 2.847 2.210 3.702 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL HB 1 7 PHE H . . 4.520 4.149 3.940 4.577 0.057 18 0 "[ . 1 . 2]" 1
14 1 6 VAL MG1 1 7 PHE H . . 3.570 2.687 2.140 3.956 0.386 18 0 "[ . 1 . 2]" 1
15 1 6 VAL MG1 1 35 CYS HA . . 5.460 4.162 2.758 5.103 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL MG1 1 35 CYS HB3 . . 5.500 5.278 4.352 5.589 0.089 1 0 "[ . 1 . 2]" 1
17 1 6 VAL MG2 1 7 PHE H . . 4.540 3.991 3.662 4.325 . 0 0 "[ . 1 . 2]" 1
18 1 6 VAL MG2 1 34 LYS HB2 . . 4.070 3.573 2.141 4.169 0.099 4 0 "[ . 1 . 2]" 1
19 1 6 VAL MG2 1 34 LYS HB3 . . 4.960 4.082 2.531 4.981 0.021 2 0 "[ . 1 . 2]" 1
20 1 6 VAL MG2 1 35 CYS HA . . 4.480 2.199 1.838 3.318 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL MG2 1 36 GLN H . . 5.500 3.382 2.409 4.913 . 0 0 "[ . 1 . 2]" 1
22 1 7 PHE H 1 7 PHE HB2 . . 3.800 3.433 2.480 3.753 . 0 0 "[ . 1 . 2]" 1
23 1 7 PHE H 1 7 PHE QB . . 3.080 2.685 2.343 2.962 . 0 0 "[ . 1 . 2]" 1
24 1 7 PHE H 1 7 PHE HB3 . . 3.800 2.993 2.375 3.797 . 0 0 "[ . 1 . 2]" 1
25 1 7 PHE H 1 8 GLY H . . 4.760 4.536 4.372 4.612 . 0 0 "[ . 1 . 2]" 1
26 1 7 PHE H 1 34 LYS HB2 . . 5.350 4.585 3.592 5.268 . 0 0 "[ . 1 . 2]" 1
27 1 7 PHE HA 1 8 GLY H . . 2.840 2.334 2.184 2.613 . 0 0 "[ . 1 . 2]" 1
28 1 7 PHE HA 1 34 LYS H . . 4.310 3.421 2.704 3.900 . 0 0 "[ . 1 . 2]" 1
29 1 7 PHE HA 1 34 LYS HB2 . . 5.030 4.602 3.830 5.014 . 0 0 "[ . 1 . 2]" 1
30 1 7 PHE QB 1 8 GLY H . . 3.220 2.489 1.994 2.754 . 0 0 "[ . 1 . 2]" 1
31 1 7 PHE QB 1 8 GLY HA2 . . 5.340 4.498 4.130 4.785 . 0 0 "[ . 1 . 2]" 1
32 1 7 PHE QB 1 11 CYS H . . 3.930 3.967 3.119 4.314 0.384 5 0 "[ . 1 . 2]" 1
33 1 7 PHE QB 1 11 CYS HB2 . . 3.680 3.088 2.348 3.663 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE QB 1 16 LYS QE . . 3.500 2.935 2.231 3.586 0.086 16 0 "[ . 1 . 2]" 1
35 1 7 PHE HB2 1 16 LYS QE . . 4.300 3.530 2.719 4.183 . 0 0 "[ . 1 . 2]" 1
36 1 7 PHE HB3 1 16 LYS QE . . 4.300 3.171 2.280 4.046 . 0 0 "[ . 1 . 2]" 1
37 1 8 GLY H 1 9 ALA H . . 4.370 3.599 2.700 4.460 0.090 14 0 "[ . 1 . 2]" 1
38 1 8 GLY H 1 9 ALA MB . . 5.500 5.307 4.863 5.792 0.292 14 0 "[ . 1 . 2]" 1
39 1 8 GLY H 1 11 CYS H . . 4.780 4.111 3.819 4.315 . 0 0 "[ . 1 . 2]" 1
40 1 8 GLY H 1 11 CYS HA . . 5.120 4.799 4.495 5.123 0.003 6 0 "[ . 1 . 2]" 1
41 1 8 GLY H 1 11 CYS HB2 . . 4.860 4.003 3.135 4.298 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLY H 1 11 CYS HB3 . . 5.260 4.397 3.968 4.829 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLY H 1 33 CYS HA . . 3.660 2.602 2.374 2.872 . 0 0 "[ . 1 . 2]" 1
44 1 8 GLY H 1 33 CYS HB2 . . 5.410 3.789 3.288 4.260 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLY H 1 34 LYS H . . 3.950 3.641 3.293 3.890 . 0 0 "[ . 1 . 2]" 1
46 1 8 GLY H 1 34 LYS HB2 . . 5.500 5.485 5.153 5.631 0.131 8 0 "[ . 1 . 2]" 1
47 1 8 GLY H 1 34 LYS QG . . 5.340 5.050 4.212 5.482 0.142 9 0 "[ . 1 . 2]" 1
48 1 8 GLY HA2 1 32 ASP H . . 5.500 5.423 4.576 5.755 0.255 20 0 "[ . 1 . 2]" 1
49 1 8 GLY HA2 1 32 ASP HA . . 4.800 4.613 4.310 4.959 0.159 9 0 "[ . 1 . 2]" 1
50 1 8 GLY HA2 1 32 ASP QB . . 4.750 3.074 2.564 3.686 . 0 0 "[ . 1 . 2]" 1
51 1 8 GLY HA2 1 33 CYS H . . 5.500 4.387 3.943 4.956 . 0 0 "[ . 1 . 2]" 1
52 1 8 GLY HA2 1 34 LYS H . . 4.940 3.585 2.839 4.699 . 0 0 "[ . 1 . 2]" 1
53 1 8 GLY HA3 1 9 ALA H . . 3.220 2.187 2.070 2.573 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLY HA3 1 9 ALA MB . . 5.360 3.986 3.770 4.345 . 0 0 "[ . 1 . 2]" 1
55 1 8 GLY HA3 1 10 GLY H . . 4.060 3.605 3.194 4.162 0.102 8 0 "[ . 1 . 2]" 1
56 1 8 GLY HA3 1 11 CYS H . . 5.160 4.861 3.800 5.223 0.063 12 0 "[ . 1 . 2]" 1
57 1 8 GLY HA3 1 33 CYS H . . 5.300 3.270 2.909 3.545 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLY HA3 1 34 LYS H . . 5.050 3.911 3.284 4.638 . 0 0 "[ . 1 . 2]" 1
59 1 9 ALA H 1 9 ALA MB . . 2.760 2.516 2.229 2.815 0.055 3 0 "[ . 1 . 2]" 1
60 1 9 ALA H 1 10 GLY H . . 3.430 2.113 1.747 3.095 . 0 0 "[ . 1 . 2]" 1
61 1 9 ALA H 1 11 CYS H . . 4.280 4.063 2.964 4.456 0.176 15 0 "[ . 1 . 2]" 1
62 1 9 ALA H 1 11 CYS HA . . 5.450 5.356 4.570 5.858 0.408 14 0 "[ . 1 . 2]" 1
63 1 9 ALA H 1 32 ASP H . . 5.500 4.511 3.739 5.321 . 0 0 "[ . 1 . 2]" 1
64 1 9 ALA H 1 32 ASP HB2 . . 4.510 3.077 1.791 4.513 0.003 17 0 "[ . 1 . 2]" 1
65 1 9 ALA H 1 32 ASP QB . . 3.930 2.546 1.776 3.506 . 0 0 "[ . 1 . 2]" 1
66 1 9 ALA H 1 32 ASP HB3 . . 4.510 3.283 1.883 4.532 0.022 9 0 "[ . 1 . 2]" 1
67 1 9 ALA HA 1 11 CYS H . . 5.260 4.593 3.964 5.307 0.047 11 0 "[ . 1 . 2]" 1
68 1 9 ALA MB 1 10 GLY H . . 3.460 2.991 2.160 3.633 0.173 8 0 "[ . 1 . 2]" 1
69 1 10 GLY H 1 10 GLY QA . . 2.790 2.418 2.260 2.492 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLY H 1 11 CYS H . . 3.320 2.720 1.871 3.322 0.002 12 0 "[ . 1 . 2]" 1
71 1 10 GLY H 1 11 CYS HA . . 4.850 4.286 3.993 4.802 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLY H 1 11 CYS HB2 . . 5.500 4.868 3.897 5.522 0.022 3 0 "[ . 1 . 2]" 1
73 1 10 GLY H 1 30 THR MG . . 4.120 3.634 2.362 4.184 0.064 8 0 "[ . 1 . 2]" 1
74 1 10 GLY H 1 32 ASP QB . . 5.340 3.979 2.485 5.042 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLY QA 1 11 CYS H . . 3.010 2.580 2.342 2.773 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLY QA 1 12 THR MG . . 5.500 5.274 4.765 5.574 0.074 5 0 "[ . 1 . 2]" 1
77 1 10 GLY QA 1 30 THR MG . . 3.900 2.767 2.285 3.914 0.014 11 0 "[ . 1 . 2]" 1
78 1 11 CYS H 1 11 CYS HB2 . . 2.720 2.450 2.137 2.538 . 0 0 "[ . 1 . 2]" 1
79 1 11 CYS H 1 11 CYS HB3 . . 3.720 3.578 3.431 3.630 . 0 0 "[ . 1 . 2]" 1
80 1 11 CYS H 1 16 LYS QE . . 4.350 4.368 4.105 4.611 0.261 15 0 "[ . 1 . 2]" 1
81 1 11 CYS H 1 30 THR MG . . 5.160 5.038 4.595 5.324 0.164 11 0 "[ . 1 . 2]" 1
82 1 11 CYS HA 1 12 THR H . . 2.890 2.296 2.131 2.420 . 0 0 "[ . 1 . 2]" 1
83 1 11 CYS HA 1 12 THR HA . . 4.630 4.325 4.264 4.372 . 0 0 "[ . 1 . 2]" 1
84 1 11 CYS HA 1 12 THR MG . . 4.490 3.642 3.541 3.959 . 0 0 "[ . 1 . 2]" 1
85 1 11 CYS HA 1 29 CYS H . . 5.500 4.843 4.485 5.340 . 0 0 "[ . 1 . 2]" 1
86 1 11 CYS HA 1 29 CYS QB . . 5.150 2.488 1.727 3.047 . 0 0 "[ . 1 . 2]" 1
87 1 11 CYS HA 1 30 THR H . . 3.900 3.459 2.882 3.962 0.062 19 0 "[ . 1 . 2]" 1
88 1 11 CYS HB2 1 16 LYS QE . . 3.240 2.378 2.081 3.079 . 0 0 "[ . 1 . 2]" 1
89 1 11 CYS HB2 1 16 LYS QG . . 5.120 4.109 3.626 4.577 . 0 0 "[ . 1 . 2]" 1
90 1 11 CYS HB3 1 12 THR H . . 2.930 2.666 2.330 2.976 0.046 4 0 "[ . 1 . 2]" 1
91 1 11 CYS HB3 1 12 THR HA . . 4.830 4.733 4.318 4.910 0.080 19 0 "[ . 1 . 2]" 1
92 1 11 CYS HB3 1 15 CYS H . . 4.740 4.442 4.207 4.732 . 0 0 "[ . 1 . 2]" 1
93 1 11 CYS HB3 1 16 LYS QE . . 3.910 2.744 2.222 3.564 . 0 0 "[ . 1 . 2]" 1
94 1 11 CYS HB3 1 16 LYS QG . . 4.520 4.132 3.446 4.506 . 0 0 "[ . 1 . 2]" 1
95 1 12 THR H 1 13 ASP H . . 4.980 4.546 4.490 4.594 . 0 0 "[ . 1 . 2]" 1
96 1 12 THR H 1 15 CYS H . . 3.960 3.723 3.528 4.043 0.083 8 0 "[ . 1 . 2]" 1
97 1 12 THR H 1 15 CYS HB2 . . 3.660 3.108 2.768 3.460 . 0 0 "[ . 1 . 2]" 1
98 1 12 THR H 1 16 LYS QE . . 4.500 4.356 3.913 4.660 0.160 8 0 "[ . 1 . 2]" 1
99 1 12 THR H 1 28 ASN HD21 . . 5.500 5.584 5.129 5.768 0.268 7 0 "[ . 1 . 2]" 1
100 1 12 THR H 1 29 CYS H . . 5.400 4.590 3.903 5.030 . 0 0 "[ . 1 . 2]" 1
101 1 12 THR H 1 29 CYS QB . . 4.210 3.368 1.958 4.177 . 0 0 "[ . 1 . 2]" 1
102 1 12 THR HA 1 12 THR MG . . 2.950 2.298 2.179 2.379 . 0 0 "[ . 1 . 2]" 1
103 1 12 THR HA 1 13 ASP H . . 3.030 2.434 2.329 2.503 . 0 0 "[ . 1 . 2]" 1
104 1 12 THR HA 1 13 ASP QB . . 5.200 4.485 4.215 4.717 . 0 0 "[ . 1 . 2]" 1
105 1 12 THR HA 1 14 VAL H . . 4.150 3.934 3.682 4.198 0.048 11 0 "[ . 1 . 2]" 1
106 1 12 THR HA 1 15 CYS H . . 4.970 4.539 4.356 4.759 . 0 0 "[ . 1 . 2]" 1
107 1 12 THR HB 1 13 ASP QB . . 4.490 4.127 3.799 4.527 0.037 8 0 "[ . 1 . 2]" 1
108 1 12 THR HB 1 14 VAL H . . 3.110 2.336 2.167 2.543 . 0 0 "[ . 1 . 2]" 1
109 1 12 THR HB 1 14 VAL QG . . 4.780 2.433 2.017 2.722 . 0 0 "[ . 1 . 2]" 1
110 1 12 THR HB 1 15 CYS H . . 3.830 3.667 3.434 3.905 0.075 10 0 "[ . 1 . 2]" 1
111 1 12 THR MG 1 13 ASP H . . 3.640 3.592 3.439 3.724 0.084 16 0 "[ . 1 . 2]" 1
112 1 12 THR MG 1 13 ASP HA . . 5.500 5.552 5.500 5.588 0.088 12 0 "[ . 1 . 2]" 1
113 1 12 THR MG 1 14 VAL H . . 4.200 3.959 3.776 4.193 . 0 0 "[ . 1 . 2]" 1
114 1 12 THR MG 1 15 CYS H . . 4.780 4.435 4.046 4.783 0.003 7 0 "[ . 1 . 2]" 1
115 1 12 THR MG 1 28 ASN H . . 3.770 3.315 2.264 4.006 0.236 11 0 "[ . 1 . 2]" 1
116 1 12 THR MG 1 28 ASN HA . . 4.760 4.096 3.844 4.361 . 0 0 "[ . 1 . 2]" 1
117 1 12 THR MG 1 28 ASN HB2 . . 3.560 2.733 1.795 3.523 . 0 0 "[ . 1 . 2]" 1
118 1 12 THR MG 1 28 ASN HB3 . . 3.560 2.241 1.798 3.222 . 0 0 "[ . 1 . 2]" 1
119 1 12 THR MG 1 28 ASN HD21 . . 4.870 2.326 1.794 3.399 . 0 0 "[ . 1 . 2]" 1
120 1 12 THR MG 1 29 CYS H . . 3.940 3.704 3.077 4.103 0.163 10 0 "[ . 1 . 2]" 1
121 1 12 THR MG 1 29 CYS HA . . 3.520 3.061 2.725 3.528 0.008 17 0 "[ . 1 . 2]" 1
122 1 12 THR MG 1 29 CYS QB . . 5.340 3.940 2.923 4.574 . 0 0 "[ . 1 . 2]" 1
123 1 13 ASP H 1 13 ASP HB2 . . 3.800 2.519 2.222 3.609 . 0 0 "[ . 1 . 2]" 1
124 1 13 ASP H 1 13 ASP QB . . 3.080 2.336 2.199 2.525 . 0 0 "[ . 1 . 2]" 1
125 1 13 ASP H 1 13 ASP HB3 . . 3.800 3.205 2.384 3.633 . 0 0 "[ . 1 . 2]" 1
126 1 13 ASP H 1 14 VAL H . . 3.480 2.431 2.255 2.601 . 0 0 "[ . 1 . 2]" 1
127 1 13 ASP H 1 14 VAL HA . . 5.230 5.036 4.845 5.172 . 0 0 "[ . 1 . 2]" 1
128 1 13 ASP H 1 14 VAL HB . . 5.150 4.727 4.542 4.865 . 0 0 "[ . 1 . 2]" 1
129 1 13 ASP H 1 14 VAL QG . . 4.340 3.498 3.030 4.061 . 0 0 "[ . 1 . 2]" 1
130 1 13 ASP HA 1 13 ASP QB . . 2.560 2.385 2.186 2.502 . 0 0 "[ . 1 . 2]" 1
131 1 13 ASP HA 1 15 CYS H . . 4.790 3.765 3.473 4.016 . 0 0 "[ . 1 . 2]" 1
132 1 13 ASP HA 1 16 LYS H . . 3.750 3.179 2.762 3.765 0.015 15 0 "[ . 1 . 2]" 1
133 1 13 ASP HA 1 16 LYS HB2 . . 4.080 3.088 2.525 4.075 . 0 0 "[ . 1 . 2]" 1
134 1 13 ASP HA 1 16 LYS QE . . 4.560 3.885 2.236 4.536 . 0 0 "[ . 1 . 2]" 1
135 1 13 ASP HA 1 16 LYS QG . . 4.000 2.613 2.035 3.560 . 0 0 "[ . 1 . 2]" 1
136 1 13 ASP QB 1 14 VAL H . . 3.720 3.043 2.767 3.580 . 0 0 "[ . 1 . 2]" 1
137 1 13 ASP QB 1 14 VAL QG . . 4.540 3.687 3.198 4.657 0.117 10 0 "[ . 1 . 2]" 1
138 1 13 ASP QB 1 16 LYS H . . 5.330 4.646 4.326 5.204 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL H 1 14 VAL HB . . 2.910 2.554 2.431 2.653 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL H 1 14 VAL MG1 . . 4.410 3.201 2.092 3.754 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL H 1 14 VAL QG . . 2.900 2.028 1.851 2.309 . 0 0 "[ . 1 . 2]" 1
142 1 14 VAL H 1 14 VAL MG2 . . 4.410 2.586 1.856 3.780 . 0 0 "[ . 1 . 2]" 1
143 1 14 VAL H 1 15 CYS H . . 3.040 2.471 2.224 2.601 . 0 0 "[ . 1 . 2]" 1
144 1 14 VAL H 1 15 CYS HB3 . . 4.740 4.652 4.339 4.894 0.154 14 0 "[ . 1 . 2]" 1
145 1 14 VAL H 1 16 LYS H . . 4.660 3.934 3.761 4.217 . 0 0 "[ . 1 . 2]" 1
146 1 14 VAL HA 1 14 VAL MG1 . . 3.390 2.653 2.308 3.221 . 0 0 "[ . 1 . 2]" 1
147 1 14 VAL HA 1 14 VAL QG . . 2.970 2.185 2.137 2.281 . 0 0 "[ . 1 . 2]" 1
148 1 14 VAL HA 1 14 VAL MG2 . . 3.390 2.420 2.260 2.522 . 0 0 "[ . 1 . 2]" 1
149 1 14 VAL HA 1 16 LYS H . . 4.430 4.019 3.740 4.234 . 0 0 "[ . 1 . 2]" 1
150 1 14 VAL HA 1 17 GLN H . . 3.840 3.708 3.573 3.849 0.009 5 0 "[ . 1 . 2]" 1
151 1 14 VAL HA 1 17 GLN HE21 . . 4.060 2.193 1.892 2.714 . 0 0 "[ . 1 . 2]" 1
152 1 14 VAL HA 1 17 GLN HE22 . . 4.060 3.418 2.959 3.928 . 0 0 "[ . 1 . 2]" 1
153 1 14 VAL HA 1 17 GLN HG2 . . 3.970 3.767 3.470 3.978 0.008 5 0 "[ . 1 . 2]" 1
154 1 14 VAL HA 1 17 GLN HG3 . . 3.690 2.152 1.923 2.355 . 0 0 "[ . 1 . 2]" 1
155 1 14 VAL HB 1 15 CYS H . . 4.190 3.321 2.757 4.242 0.052 15 0 "[ . 1 . 2]" 1
156 1 14 VAL QG 1 15 CYS HA . . 4.850 3.575 3.047 3.890 . 0 0 "[ . 1 . 2]" 1
157 1 14 VAL QG 1 17 GLN H . . 4.640 4.229 3.999 4.381 . 0 0 "[ . 1 . 2]" 1
158 1 14 VAL QG 1 17 GLN HB2 . . 4.820 3.572 3.107 3.759 . 0 0 "[ . 1 . 2]" 1
159 1 14 VAL QG 1 17 GLN QE . . 3.520 2.048 1.724 2.275 . 0 0 "[ . 1 . 2]" 1
160 1 14 VAL QG 1 17 GLN HG3 . . 4.580 3.294 2.798 3.470 . 0 0 "[ . 1 . 2]" 1
161 1 14 VAL QG 1 20 CYS HA . . 4.740 4.719 4.437 4.910 0.170 9 0 "[ . 1 . 2]" 1
162 1 14 VAL QG 1 21 GLY H . . 3.450 3.040 2.692 3.357 . 0 0 "[ . 1 . 2]" 1
163 1 14 VAL QG 1 21 GLY HA2 . . 3.890 3.439 3.244 3.657 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL QG 1 21 GLY HA3 . . 3.820 2.193 1.950 2.491 . 0 0 "[ . 1 . 2]" 1
165 1 14 VAL QG 1 22 CYS H . . 3.390 2.723 2.488 3.148 . 0 0 "[ . 1 . 2]" 1
166 1 14 VAL QG 1 22 CYS HA . . 3.460 2.656 2.448 2.829 . 0 0 "[ . 1 . 2]" 1
167 1 14 VAL QG 1 23 ALA H . . 4.560 4.357 4.174 4.488 . 0 0 "[ . 1 . 2]" 1
168 1 14 VAL QG 1 23 ALA MB . . 5.440 5.410 5.126 5.534 0.094 6 0 "[ . 1 . 2]" 1
169 1 14 VAL QG 1 24 THR H . . 4.810 4.390 4.066 4.631 . 0 0 "[ . 1 . 2]" 1
170 1 14 VAL QG 1 25 SER H . . 4.150 3.645 3.341 3.920 . 0 0 "[ . 1 . 2]" 1
171 1 14 VAL QG 1 25 SER QB . . 3.320 2.030 1.766 2.512 . 0 0 "[ . 1 . 2]" 1
172 1 14 VAL QG 1 26 GLY H . . 4.550 3.921 3.361 4.555 0.005 4 0 "[ . 1 . 2]" 1
173 1 14 VAL MG1 1 15 CYS H . . 4.160 3.396 2.467 3.932 . 0 0 "[ . 1 . 2]" 1
174 1 14 VAL MG1 1 17 GLN HE21 . . 5.070 3.237 2.298 4.748 . 0 0 "[ . 1 . 2]" 1
175 1 14 VAL MG1 1 17 GLN HE22 . . 5.070 3.259 2.136 4.957 . 0 0 "[ . 1 . 2]" 1
176 1 14 VAL MG1 1 25 SER HB2 . . 4.900 3.465 2.007 5.079 0.179 11 0 "[ . 1 . 2]" 1
177 1 14 VAL MG1 1 25 SER HB3 . . 4.900 2.919 1.901 3.846 . 0 0 "[ . 1 . 2]" 1
178 1 14 VAL MG2 1 15 CYS H . . 4.160 3.847 3.648 4.104 . 0 0 "[ . 1 . 2]" 1
179 1 14 VAL MG2 1 17 GLN HE21 . . 5.070 2.758 1.797 3.257 . 0 0 "[ . 1 . 2]" 1
180 1 14 VAL MG2 1 17 GLN HE22 . . 5.070 3.032 1.908 3.955 . 0 0 "[ . 1 . 2]" 1
181 1 14 VAL MG2 1 25 SER HB2 . . 4.900 3.768 1.829 4.937 0.037 5 0 "[ . 1 . 2]" 1
182 1 14 VAL MG2 1 25 SER HB3 . . 4.900 3.197 1.875 4.558 . 0 0 "[ . 1 . 2]" 1
183 1 15 CYS H 1 15 CYS HB2 . . 3.050 2.647 2.478 2.753 . 0 0 "[ . 1 . 2]" 1
184 1 15 CYS H 1 15 CYS HB3 . . 3.050 2.418 2.329 2.539 . 0 0 "[ . 1 . 2]" 1
185 1 15 CYS H 1 16 LYS H . . 3.220 2.376 2.291 2.479 . 0 0 "[ . 1 . 2]" 1
186 1 15 CYS H 1 16 LYS HA . . 5.390 5.033 4.969 5.134 . 0 0 "[ . 1 . 2]" 1
187 1 15 CYS H 1 16 LYS HB2 . . 5.180 4.752 4.560 4.921 . 0 0 "[ . 1 . 2]" 1
188 1 15 CYS H 1 16 LYS QD . . 5.340 5.189 4.831 5.511 0.171 11 0 "[ . 1 . 2]" 1
189 1 15 CYS H 1 16 LYS QE . . 4.190 4.239 3.751 4.430 0.240 3 0 "[ . 1 . 2]" 1
190 1 15 CYS H 1 16 LYS QG . . 4.250 3.679 3.531 3.823 . 0 0 "[ . 1 . 2]" 1
191 1 15 CYS H 1 17 GLN H . . 4.440 3.896 3.711 4.059 . 0 0 "[ . 1 . 2]" 1
192 1 15 CYS H 1 17 GLN HG3 . . 4.900 4.721 4.389 4.912 0.012 15 0 "[ . 1 . 2]" 1
193 1 15 CYS HA 1 17 GLN H . . 4.330 3.506 3.336 3.701 . 0 0 "[ . 1 . 2]" 1
194 1 15 CYS HA 1 20 CYS HA . . 4.430 3.841 3.655 4.141 . 0 0 "[ . 1 . 2]" 1
195 1 15 CYS HA 1 21 GLY H . . 4.270 3.521 3.180 3.735 . 0 0 "[ . 1 . 2]" 1
196 1 15 CYS HA 1 22 CYS H . . 3.970 3.269 2.824 3.718 . 0 0 "[ . 1 . 2]" 1
197 1 15 CYS HB2 1 16 LYS H . . 4.180 4.053 3.911 4.151 . 0 0 "[ . 1 . 2]" 1
198 1 15 CYS HB2 1 16 LYS QE . . 5.040 4.373 3.656 5.116 0.076 16 0 "[ . 1 . 2]" 1
199 1 15 CYS HB2 1 29 CYS H . . 5.500 5.164 4.173 5.558 0.058 1 0 "[ . 1 . 2]" 1
200 1 15 CYS HB2 1 29 CYS QB . . 5.340 4.075 3.008 4.658 . 0 0 "[ . 1 . 2]" 1
201 1 15 CYS HB3 1 16 LYS H . . 3.340 2.921 2.722 3.156 . 0 0 "[ . 1 . 2]" 1
202 1 15 CYS HB3 1 17 GLN H . . 5.140 4.813 4.690 4.930 . 0 0 "[ . 1 . 2]" 1
203 1 16 LYS H 1 16 LYS HB2 . . 3.330 2.591 2.514 2.674 . 0 0 "[ . 1 . 2]" 1
204 1 16 LYS H 1 16 LYS HB3 . . 3.770 3.628 3.586 3.658 . 0 0 "[ . 1 . 2]" 1
205 1 16 LYS H 1 16 LYS QD . . 3.620 3.556 3.251 3.805 0.185 11 0 "[ . 1 . 2]" 1
206 1 16 LYS H 1 16 LYS QE . . 4.290 3.436 2.571 3.756 . 0 0 "[ . 1 . 2]" 1
207 1 16 LYS H 1 16 LYS HG2 . . 3.640 2.461 2.142 3.584 . 0 0 "[ . 1 . 2]" 1
208 1 16 LYS H 1 16 LYS QG . . 2.920 2.168 2.072 2.247 . 0 0 "[ . 1 . 2]" 1
209 1 16 LYS H 1 16 LYS HG3 . . 3.640 3.358 2.087 3.725 0.085 17 0 "[ . 1 . 2]" 1
210 1 16 LYS H 1 17 GLN H . . 3.200 2.529 2.408 2.637 . 0 0 "[ . 1 . 2]" 1
211 1 16 LYS H 1 17 GLN HB2 . . 4.750 4.638 4.533 4.779 0.029 8 0 "[ . 1 . 2]" 1
212 1 16 LYS H 1 17 GLN HG3 . . 4.380 4.181 3.832 4.413 0.033 17 0 "[ . 1 . 2]" 1
213 1 16 LYS HA 1 16 LYS QD . . 4.570 2.501 1.948 4.086 . 0 0 "[ . 1 . 2]" 1
214 1 16 LYS HA 1 17 GLN H . . 3.520 3.220 3.114 3.323 . 0 0 "[ . 1 . 2]" 1
215 1 16 LYS HB2 1 16 LYS QD . . 3.660 3.108 2.135 3.388 . 0 0 "[ . 1 . 2]" 1
216 1 16 LYS HB2 1 17 GLN H . . 4.170 3.614 3.448 3.780 . 0 0 "[ . 1 . 2]" 1
217 1 16 LYS HB3 1 17 GLN H . . 4.510 4.380 4.287 4.453 . 0 0 "[ . 1 . 2]" 1
218 1 16 LYS QE 1 16 LYS QG . . 3.270 2.135 2.043 2.241 . 0 0 "[ . 1 . 2]" 1
219 1 16 LYS QE 1 17 GLN H . . 5.500 5.412 4.269 5.778 0.278 14 0 "[ . 1 . 2]" 1
220 1 16 LYS QG 1 17 GLN H . . 4.920 4.297 4.107 4.463 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLN H 1 17 GLN HB2 . . 2.850 2.337 2.269 2.466 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLN H 1 17 GLN HG3 . . 3.050 2.764 2.553 3.008 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLN H 1 20 CYS HA . . 4.750 3.593 3.315 3.946 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLN H 1 21 GLY H . . 4.040 3.386 3.092 3.597 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLN HA 1 17 GLN HG2 . . 3.230 2.437 2.367 2.522 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLN HA 1 17 GLN HG3 . . 4.030 2.992 2.874 3.196 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLN HA 1 18 THR H . . 2.700 2.532 2.398 2.617 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLN HB2 1 18 THR H . . 3.940 3.460 3.203 3.692 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLN HB2 1 21 GLY H . . 3.090 1.892 1.699 2.308 . 0 0 "[ . 1 . 2]" 1
230 1 17 GLN HB2 1 22 CYS H . . 4.960 4.293 4.075 4.767 . 0 0 "[ . 1 . 2]" 1
231 1 17 GLN HB3 1 17 GLN QE . . 4.560 3.973 3.344 4.072 . 0 0 "[ . 1 . 2]" 1
232 1 17 GLN HB3 1 18 THR H . . 3.110 2.042 1.863 2.288 . 0 0 "[ . 1 . 2]" 1
233 1 17 GLN HB3 1 21 GLY H . . 4.570 3.237 2.970 3.850 . 0 0 "[ . 1 . 2]" 1
234 1 17 GLN HB3 1 21 GLY HA3 . . 5.300 3.764 3.522 4.172 . 0 0 "[ . 1 . 2]" 1
235 1 17 GLN QE 1 21 GLY H . . 4.870 4.331 3.368 4.688 . 0 0 "[ . 1 . 2]" 1
236 1 17 GLN HG2 1 18 THR H . . 4.000 3.565 3.395 3.788 . 0 0 "[ . 1 . 2]" 1
237 1 17 GLN HG2 1 21 GLY H . . 5.500 4.730 4.521 5.207 . 0 0 "[ . 1 . 2]" 1
238 1 17 GLN HG3 1 18 THR H . . 4.790 4.545 4.446 4.686 . 0 0 "[ . 1 . 2]" 1
239 1 17 GLN HG3 1 21 GLY H . . 4.030 3.848 3.610 4.065 0.035 14 0 "[ . 1 . 2]" 1
240 1 18 THR H 1 18 THR MG . . 4.320 3.999 3.972 4.050 . 0 0 "[ . 1 . 2]" 1
241 1 18 THR H 1 19 PRO QD . . 4.750 4.205 4.070 4.362 . 0 0 "[ . 1 . 2]" 1
242 1 18 THR H 1 21 GLY HA3 . . 5.500 5.718 5.657 5.802 0.302 2 0 "[ . 1 . 2]" 1
243 1 18 THR HA 1 18 THR MG . . 3.410 2.358 2.221 2.409 . 0 0 "[ . 1 . 2]" 1
244 1 18 THR HA 1 19 PRO HA . . 2.560 2.014 1.961 2.163 . 0 0 "[ . 1 . 2]" 1
245 1 18 THR HA 1 19 PRO HB2 . . 4.720 4.392 4.329 4.476 . 0 0 "[ . 1 . 2]" 1
246 1 18 THR HA 1 19 PRO QB . . 4.080 3.835 3.787 3.879 . 0 0 "[ . 1 . 2]" 1
247 1 18 THR HA 1 19 PRO HB3 . . 4.720 4.229 4.181 4.320 . 0 0 "[ . 1 . 2]" 1
248 1 18 THR HA 1 20 CYS H . . 3.810 3.307 2.798 3.582 . 0 0 "[ . 1 . 2]" 1
249 1 18 THR HA 1 20 CYS HB2 . . 5.500 4.819 4.232 5.301 . 0 0 "[ . 1 . 2]" 1
250 1 18 THR MG 1 19 PRO HA . . 3.880 2.790 2.597 2.921 . 0 0 "[ . 1 . 2]" 1
251 1 18 THR MG 1 19 PRO HB2 . . 5.160 5.026 4.831 5.179 0.019 3 0 "[ . 1 . 2]" 1
252 1 18 THR MG 1 19 PRO HB3 . . 5.160 4.202 3.920 4.481 . 0 0 "[ . 1 . 2]" 1
253 1 18 THR MG 1 19 PRO HD2 . . 5.470 4.517 4.355 4.894 . 0 0 "[ . 1 . 2]" 1
254 1 18 THR MG 1 19 PRO QD . . 4.790 3.540 3.434 3.944 . 0 0 "[ . 1 . 2]" 1
255 1 18 THR MG 1 19 PRO HD3 . . 5.470 3.700 3.586 4.159 . 0 0 "[ . 1 . 2]" 1
256 1 18 THR MG 1 20 CYS H . . 4.630 4.489 3.635 4.660 0.030 5 0 "[ . 1 . 2]" 1
257 1 19 PRO HA 1 20 CYS H . . 2.890 2.380 2.195 2.498 . 0 0 "[ . 1 . 2]" 1
258 1 19 PRO QB 1 20 CYS H . . 2.910 2.588 2.376 2.951 0.041 2 0 "[ . 1 . 2]" 1
259 1 19 PRO QB 1 20 CYS HB2 . . 5.320 4.576 4.320 4.950 . 0 0 "[ . 1 . 2]" 1
260 1 19 PRO HB2 1 20 CYS H . . 3.430 2.754 2.424 3.431 0.001 2 0 "[ . 1 . 2]" 1
261 1 19 PRO HB3 1 20 CYS H . . 3.430 3.331 2.899 3.494 0.064 10 0 "[ . 1 . 2]" 1
262 1 19 PRO QD 1 20 CYS H . . 4.960 4.902 4.770 4.961 0.001 13 0 "[ . 1 . 2]" 1
263 1 20 CYS H 1 20 CYS HB2 . . 2.880 2.346 2.115 2.534 . 0 0 "[ . 1 . 2]" 1
264 1 20 CYS H 1 20 CYS HB3 . . 3.270 2.660 2.514 2.946 . 0 0 "[ . 1 . 2]" 1
265 1 20 CYS H 1 21 GLY H . . 4.550 4.488 4.406 4.564 0.014 15 0 "[ . 1 . 2]" 1
266 1 20 CYS H 1 22 CYS H . . 5.500 5.566 5.436 5.628 0.128 12 0 "[ . 1 . 2]" 1
267 1 20 CYS H 1 23 ALA MB . . 5.500 5.138 4.653 5.565 0.065 17 0 "[ . 1 . 2]" 1
268 1 20 CYS H 1 37 SER QB . . 4.310 3.522 3.055 4.494 0.184 1 0 "[ . 1 . 2]" 1
269 1 20 CYS HA 1 21 GLY H . . 2.630 2.121 2.066 2.176 . 0 0 "[ . 1 . 2]" 1
270 1 20 CYS HA 1 21 GLY HA2 . . 5.110 4.297 4.254 4.325 . 0 0 "[ . 1 . 2]" 1
271 1 20 CYS HA 1 22 CYS H . . 3.850 3.693 3.525 3.801 . 0 0 "[ . 1 . 2]" 1
272 1 20 CYS HA 1 23 ALA H . . 5.500 5.116 4.826 5.423 . 0 0 "[ . 1 . 2]" 1
273 1 20 CYS HB2 1 21 GLY H . . 4.720 4.292 4.135 4.433 . 0 0 "[ . 1 . 2]" 1
274 1 20 CYS HB3 1 21 GLY H . . 4.180 4.125 3.759 4.255 0.075 8 0 "[ . 1 . 2]" 1
275 1 20 CYS HB3 1 22 CYS H . . 4.980 3.878 3.445 4.040 . 0 0 "[ . 1 . 2]" 1
276 1 20 CYS HB3 1 37 SER HB2 . . 4.350 3.235 2.708 4.378 0.028 2 0 "[ . 1 . 2]" 1
277 1 20 CYS HB3 1 37 SER QB . . 3.750 2.478 2.057 3.285 . 0 0 "[ . 1 . 2]" 1
278 1 20 CYS HB3 1 37 SER HB3 . . 4.350 2.600 2.089 3.690 . 0 0 "[ . 1 . 2]" 1
279 1 21 GLY H 1 22 CYS H . . 3.090 2.507 2.386 2.594 . 0 0 "[ . 1 . 2]" 1
280 1 21 GLY H 1 22 CYS HB2 . . 5.320 4.722 4.445 4.880 . 0 0 "[ . 1 . 2]" 1
281 1 21 GLY H 1 23 ALA H . . 4.690 4.380 4.216 4.527 . 0 0 "[ . 1 . 2]" 1
282 1 21 GLY H 1 25 SER QB . . 5.340 5.369 5.041 5.576 0.236 3 0 "[ . 1 . 2]" 1
283 1 21 GLY HA2 1 24 THR H . . 3.690 3.363 2.834 3.589 . 0 0 "[ . 1 . 2]" 1
284 1 21 GLY HA2 1 24 THR HB . . 5.500 4.299 2.537 5.080 . 0 0 "[ . 1 . 2]" 1
285 1 21 GLY HA3 1 23 ALA H . . 4.440 4.411 4.218 4.500 0.060 18 0 "[ . 1 . 2]" 1
286 1 21 GLY HA3 1 24 THR H . . 4.440 4.389 4.157 4.531 0.091 4 0 "[ . 1 . 2]" 1
287 1 21 GLY HA3 1 24 THR MG . . 4.860 3.920 3.093 4.952 0.092 3 0 "[ . 1 . 2]" 1
288 1 21 GLY HA3 1 25 SER H . . 4.890 4.286 3.801 4.893 0.003 17 0 "[ . 1 . 2]" 1
289 1 22 CYS H 1 22 CYS HB2 . . 3.000 2.392 2.190 2.493 . 0 0 "[ . 1 . 2]" 1
290 1 22 CYS H 1 22 CYS HB3 . . 3.790 3.593 3.513 3.616 . 0 0 "[ . 1 . 2]" 1
291 1 22 CYS H 1 23 ALA H . . 3.340 2.657 2.542 2.726 . 0 0 "[ . 1 . 2]" 1
292 1 22 CYS H 1 23 ALA HA . . 5.490 5.232 5.155 5.288 . 0 0 "[ . 1 . 2]" 1
293 1 22 CYS H 1 23 ALA MB . . 4.410 4.326 4.260 4.404 . 0 0 "[ . 1 . 2]" 1
294 1 22 CYS H 1 24 THR H . . 4.680 4.186 3.915 4.388 . 0 0 "[ . 1 . 2]" 1
295 1 22 CYS H 1 27 CYS HA . . 5.500 5.246 4.912 5.547 0.047 15 0 "[ . 1 . 2]" 1
296 1 22 CYS H 1 38 CYS QB . . 4.430 3.752 3.450 4.174 . 0 0 "[ . 1 . 2]" 1
297 1 22 CYS HA 1 23 ALA HA . . 4.800 4.652 4.536 4.757 . 0 0 "[ . 1 . 2]" 1
298 1 22 CYS HA 1 24 THR H . . 4.880 3.829 3.509 4.266 . 0 0 "[ . 1 . 2]" 1
299 1 22 CYS HA 1 26 GLY H . . 3.330 2.882 2.363 3.296 . 0 0 "[ . 1 . 2]" 1
300 1 22 CYS HA 1 27 CYS H . . 4.480 4.357 3.916 4.589 0.109 1 0 "[ . 1 . 2]" 1
301 1 22 CYS HB2 1 23 ALA H . . 3.560 3.140 2.933 3.326 . 0 0 "[ . 1 . 2]" 1
302 1 22 CYS HB2 1 24 THR H . . 5.500 5.108 4.858 5.318 . 0 0 "[ . 1 . 2]" 1
303 1 22 CYS HB2 1 38 CYS H . . 5.500 4.693 4.327 5.044 . 0 0 "[ . 1 . 2]" 1
304 1 22 CYS HB2 1 38 CYS QB . . 4.250 1.876 1.737 2.278 . 0 0 "[ . 1 . 2]" 1
305 1 22 CYS HB3 1 24 THR H . . 5.500 5.286 4.996 5.551 0.051 8 0 "[ . 1 . 2]" 1
306 1 22 CYS HB3 1 26 GLY H . . 4.740 4.600 4.210 4.863 0.123 9 0 "[ . 1 . 2]" 1
307 1 22 CYS HB3 1 27 CYS HA . . 3.470 2.433 2.031 2.674 . 0 0 "[ . 1 . 2]" 1
308 1 22 CYS HB3 1 28 ASN H . . 4.870 4.284 3.865 4.549 . 0 0 "[ . 1 . 2]" 1
309 1 22 CYS HB3 1 38 CYS QB . . 4.500 2.367 1.931 2.684 . 0 0 "[ . 1 . 2]" 1
310 1 23 ALA H 1 23 ALA MB . . 2.650 2.280 2.237 2.342 . 0 0 "[ . 1 . 2]" 1
311 1 23 ALA H 1 24 THR H . . 3.250 2.417 2.089 2.591 . 0 0 "[ . 1 . 2]" 1
312 1 23 ALA H 1 24 THR HA . . 5.500 5.044 4.782 5.212 . 0 0 "[ . 1 . 2]" 1
313 1 23 ALA H 1 24 THR HB . . 5.500 4.910 4.251 5.603 0.103 8 0 "[ . 1 . 2]" 1
314 1 23 ALA H 1 24 THR MG . . 5.360 4.039 3.481 5.461 0.101 12 0 "[ . 1 . 2]" 1
315 1 23 ALA H 1 38 CYS HA . . 5.500 4.297 3.447 5.317 . 0 0 "[ . 1 . 2]" 1
316 1 23 ALA H 1 38 CYS HB2 . . 5.500 4.931 4.448 5.567 0.067 8 0 "[ . 1 . 2]" 1
317 1 23 ALA H 1 38 CYS QB . . 4.690 4.026 3.715 4.428 . 0 0 "[ . 1 . 2]" 1
318 1 23 ALA H 1 38 CYS HB3 . . 5.500 4.317 3.807 5.116 . 0 0 "[ . 1 . 2]" 1
319 1 23 ALA HA 1 25 SER H . . 4.590 4.611 4.275 4.715 0.125 9 0 "[ . 1 . 2]" 1
320 1 23 ALA HA 1 26 GLY H . . 4.390 4.382 4.118 4.518 0.128 11 0 "[ . 1 . 2]" 1
321 1 23 ALA HA 1 26 GLY HA2 . . 5.220 5.059 4.628 5.321 0.101 17 0 "[ . 1 . 2]" 1
322 1 23 ALA MB 1 24 THR H . . 3.210 3.106 2.887 3.283 0.073 3 0 "[ . 1 . 2]" 1
323 1 23 ALA MB 1 24 THR HA . . 4.630 4.121 3.950 4.212 . 0 0 "[ . 1 . 2]" 1
324 1 23 ALA MB 1 25 SER H . . 4.700 4.661 4.459 4.793 0.093 3 0 "[ . 1 . 2]" 1
325 1 23 ALA MB 1 26 GLY H . . 5.210 5.180 5.075 5.269 0.059 17 0 "[ . 1 . 2]" 1
326 1 24 THR H 1 24 THR HB . . 3.450 3.087 2.473 3.601 0.151 8 0 "[ . 1 . 2]" 1
327 1 24 THR H 1 24 THR MG . . 3.350 2.560 2.142 3.754 0.404 19 0 "[ . 1 . 2]" 1
328 1 24 THR H 1 25 SER H . . 2.990 1.891 1.774 2.172 . 0 0 "[ . 1 . 2]" 1
329 1 24 THR H 1 25 SER HA . . 4.950 4.635 4.546 4.891 . 0 0 "[ . 1 . 2]" 1
330 1 24 THR H 1 25 SER QB . . 4.270 3.890 3.625 4.118 . 0 0 "[ . 1 . 2]" 1
331 1 24 THR H 1 26 GLY H . . 4.060 3.240 2.918 3.505 . 0 0 "[ . 1 . 2]" 1
332 1 24 THR HA 1 24 THR MG . . 3.620 2.958 2.269 3.226 . 0 0 "[ . 1 . 2]" 1
333 1 24 THR HA 1 25 SER H . . 3.550 3.440 3.185 3.522 . 0 0 "[ . 1 . 2]" 1
334 1 24 THR HA 1 25 SER HA . . 4.590 4.564 4.434 4.613 0.023 19 0 "[ . 1 . 2]" 1
335 1 24 THR HB 1 25 SER H . . 4.630 3.861 2.588 4.456 . 0 0 "[ . 1 . 2]" 1
336 1 24 THR MG 1 25 SER H . . 4.050 2.943 2.417 3.900 . 0 0 "[ . 1 . 2]" 1
337 1 24 THR MG 1 26 GLY H . . 5.250 4.601 4.187 5.498 0.248 14 0 "[ . 1 . 2]" 1
338 1 25 SER H 1 25 SER QB . . 3.020 2.426 2.319 2.645 . 0 0 "[ . 1 . 2]" 1
339 1 25 SER H 1 26 GLY H . . 2.970 2.114 1.810 2.280 . 0 0 "[ . 1 . 2]" 1
340 1 25 SER H 1 26 GLY HA2 . . 5.120 4.469 4.120 4.627 . 0 0 "[ . 1 . 2]" 1
341 1 25 SER H 1 26 GLY HA3 . . 4.870 4.801 4.524 4.899 0.029 12 0 "[ . 1 . 2]" 1
342 1 25 SER QB 1 26 GLY H . . 3.450 3.080 2.517 3.507 0.057 1 0 "[ . 1 . 2]" 1
343 1 26 GLY H 1 27 CYS H . . 3.990 3.994 3.377 4.153 0.163 14 0 "[ . 1 . 2]" 1
344 1 26 GLY H 1 27 CYS HB2 . . 5.500 5.296 4.934 5.649 0.149 14 0 "[ . 1 . 2]" 1
345 1 26 GLY HA2 1 27 CYS H . . 2.800 2.179 2.101 2.272 . 0 0 "[ . 1 . 2]" 1
346 1 26 GLY HA3 1 27 CYS H . . 3.540 3.000 2.797 3.318 . 0 0 "[ . 1 . 2]" 1
347 1 27 CYS H 1 27 CYS HB2 . . 2.920 2.702 2.056 2.964 0.044 5 0 "[ . 1 . 2]" 1
348 1 27 CYS H 1 27 CYS HB3 . . 3.110 2.521 2.383 3.230 0.120 14 0 "[ . 1 . 2]" 1
349 1 27 CYS H 1 28 ASN H . . 5.000 4.520 4.368 4.592 . 0 0 "[ . 1 . 2]" 1
350 1 27 CYS HA 1 28 ASN H . . 2.910 2.238 2.139 2.315 . 0 0 "[ . 1 . 2]" 1
351 1 27 CYS HA 1 29 CYS H . . 3.880 3.743 3.388 3.935 0.055 1 0 "[ . 1 . 2]" 1
352 1 27 CYS HB2 1 28 ASN H . . 4.660 4.121 3.821 4.557 . 0 0 "[ . 1 . 2]" 1
353 1 27 CYS HB3 1 28 ASN H . . 4.980 3.997 3.650 4.285 . 0 0 "[ . 1 . 2]" 1
354 1 28 ASN H 1 28 ASN HB2 . . 3.940 3.043 2.613 3.337 . 0 0 "[ . 1 . 2]" 1
355 1 28 ASN H 1 28 ASN QB . . 3.180 2.721 2.566 2.853 . 0 0 "[ . 1 . 2]" 1
356 1 28 ASN H 1 28 ASN HB3 . . 3.940 3.307 2.842 3.943 0.003 1 0 "[ . 1 . 2]" 1
357 1 28 ASN H 1 28 ASN HD21 . . 5.240 4.274 2.951 5.108 . 0 0 "[ . 1 . 2]" 1
358 1 28 ASN H 1 29 CYS H . . 3.240 1.974 1.795 2.183 . 0 0 "[ . 1 . 2]" 1
359 1 28 ASN H 1 29 CYS HA . . 4.620 4.264 4.047 4.636 0.016 11 0 "[ . 1 . 2]" 1
360 1 28 ASN HA 1 28 ASN HD21 . . 4.810 4.140 3.843 4.494 . 0 0 "[ . 1 . 2]" 1
361 1 28 ASN HA 1 28 ASN HD22 . . 5.070 4.525 4.281 4.796 . 0 0 "[ . 1 . 2]" 1
362 1 28 ASN HA 1 29 CYS H . . 3.380 3.124 2.973 3.358 . 0 0 "[ . 1 . 2]" 1
363 1 28 ASN QB 1 29 CYS H . . 4.140 3.634 3.326 3.770 . 0 0 "[ . 1 . 2]" 1
364 1 29 CYS H 1 29 CYS HB2 . . 3.710 2.850 2.398 3.622 . 0 0 "[ . 1 . 2]" 1
365 1 29 CYS H 1 29 CYS QB . . 2.880 2.535 2.364 2.916 0.036 9 0 "[ . 1 . 2]" 1
366 1 29 CYS H 1 29 CYS HB3 . . 3.710 3.348 2.737 3.627 . 0 0 "[ . 1 . 2]" 1
367 1 29 CYS H 1 33 CYS HB2 . . 5.500 5.511 5.352 5.665 0.165 14 0 "[ . 1 . 2]" 1
368 1 29 CYS HA 1 30 THR H . . 3.040 2.506 2.266 2.706 . 0 0 "[ . 1 . 2]" 1
369 1 29 CYS QB 1 30 THR H . . 2.930 2.114 1.776 2.473 . 0 0 "[ . 1 . 2]" 1
370 1 29 CYS QB 1 33 CYS H . . 4.440 4.198 3.734 4.724 0.284 11 0 "[ . 1 . 2]" 1
371 1 29 CYS QB 1 33 CYS HB2 . . 3.620 2.436 2.043 3.126 . 0 0 "[ . 1 . 2]" 1
372 1 29 CYS QB 1 33 CYS HB3 . . 5.340 3.497 2.733 4.503 . 0 0 "[ . 1 . 2]" 1
373 1 29 CYS HB2 1 30 THR H . . 3.600 2.920 1.783 3.682 0.082 12 0 "[ . 1 . 2]" 1
374 1 29 CYS HB3 1 30 THR H . . 3.600 2.659 1.930 3.603 0.003 14 0 "[ . 1 . 2]" 1
375 1 30 THR H 1 30 THR MG . . 3.110 2.563 2.335 2.912 . 0 0 "[ . 1 . 2]" 1
376 1 30 THR H 1 32 ASP H . . 5.390 4.476 3.973 4.942 . 0 0 "[ . 1 . 2]" 1
377 1 30 THR H 1 33 CYS H . . 4.600 4.136 3.597 4.398 . 0 0 "[ . 1 . 2]" 1
378 1 30 THR H 1 33 CYS HB2 . . 3.610 3.494 2.951 3.775 0.165 18 0 "[ . 1 . 2]" 1
379 1 30 THR H 1 33 CYS HB3 . . 5.180 4.648 3.505 5.111 . 0 0 "[ . 1 . 2]" 1
380 1 30 THR HA 1 30 THR MG . . 3.600 2.303 2.177 2.420 . 0 0 "[ . 1 . 2]" 1
381 1 30 THR HA 1 31 ASP HA . . 4.750 4.325 4.282 4.393 . 0 0 "[ . 1 . 2]" 1
382 1 30 THR HB 1 31 ASP H . . 2.760 2.307 1.992 2.830 0.070 18 0 "[ . 1 . 2]" 1
383 1 30 THR HB 1 31 ASP QB . . 4.520 4.079 3.765 4.586 0.066 9 0 "[ . 1 . 2]" 1
384 1 30 THR HB 1 32 ASP H . . 3.500 2.599 2.257 2.947 . 0 0 "[ . 1 . 2]" 1
385 1 30 THR MG 1 31 ASP H . . 3.960 3.525 3.191 3.712 . 0 0 "[ . 1 . 2]" 1
386 1 30 THR MG 1 32 ASP H . . 4.260 4.102 3.915 4.297 0.037 4 0 "[ . 1 . 2]" 1
387 1 31 ASP H 1 31 ASP HB2 . . 3.570 2.609 2.322 3.622 0.052 9 0 "[ . 1 . 2]" 1
388 1 31 ASP H 1 31 ASP QB . . 2.950 2.324 2.242 2.518 . 0 0 "[ . 1 . 2]" 1
389 1 31 ASP H 1 31 ASP HB3 . . 3.570 2.948 2.402 3.609 0.039 3 0 "[ . 1 . 2]" 1
390 1 31 ASP H 1 32 ASP H . . 3.560 2.578 2.400 2.730 . 0 0 "[ . 1 . 2]" 1
391 1 31 ASP H 1 33 CYS H . . 5.500 4.217 3.984 4.363 . 0 0 "[ . 1 . 2]" 1
392 1 31 ASP HA 1 32 ASP H . . 3.550 3.355 3.122 3.458 . 0 0 "[ . 1 . 2]" 1
393 1 31 ASP HA 1 33 CYS H . . 3.880 3.461 3.157 3.675 . 0 0 "[ . 1 . 2]" 1
394 1 31 ASP QB 1 32 ASP H . . 4.330 3.196 2.761 3.796 . 0 0 "[ . 1 . 2]" 1
395 1 31 ASP QB 1 32 ASP HA . . 4.840 4.232 3.860 4.726 . 0 0 "[ . 1 . 2]" 1
396 1 31 ASP HB2 1 32 ASP H . . 4.990 3.869 2.857 4.369 . 0 0 "[ . 1 . 2]" 1
397 1 31 ASP HB3 1 32 ASP H . . 4.990 3.617 2.910 4.385 . 0 0 "[ . 1 . 2]" 1
398 1 32 ASP H 1 32 ASP HB2 . . 3.750 2.591 2.240 3.583 . 0 0 "[ . 1 . 2]" 1
399 1 32 ASP H 1 32 ASP QB . . 3.150 2.429 2.216 2.832 . 0 0 "[ . 1 . 2]" 1
400 1 32 ASP H 1 32 ASP HB3 . . 3.750 3.253 2.484 3.629 . 0 0 "[ . 1 . 2]" 1
401 1 32 ASP H 1 33 CYS H . . 3.220 2.480 2.102 2.744 . 0 0 "[ . 1 . 2]" 1
402 1 32 ASP H 1 33 CYS HA . . 5.210 4.953 4.389 5.138 . 0 0 "[ . 1 . 2]" 1
403 1 32 ASP H 1 33 CYS HB2 . . 5.020 4.683 3.963 5.041 0.021 7 0 "[ . 1 . 2]" 1
404 1 32 ASP HB2 1 33 CYS H . . 4.240 3.556 2.987 4.314 0.074 1 0 "[ . 1 . 2]" 1
405 1 32 ASP HB3 1 33 CYS H . . 4.240 3.885 3.225 4.416 0.176 9 0 "[ . 1 . 2]" 1
406 1 33 CYS H 1 33 CYS HB2 . . 3.030 2.542 2.393 2.745 . 0 0 "[ . 1 . 2]" 1
407 1 33 CYS H 1 33 CYS HB3 . . 2.990 2.468 2.341 2.644 . 0 0 "[ . 1 . 2]" 1
408 1 33 CYS H 1 34 LYS H . . 4.700 4.496 4.305 4.607 . 0 0 "[ . 1 . 2]" 1
409 1 33 CYS H 1 34 LYS QG . . 5.230 5.020 4.622 5.295 0.065 11 0 "[ . 1 . 2]" 1
410 1 33 CYS HA 1 34 LYS H . . 2.850 2.151 2.083 2.211 . 0 0 "[ . 1 . 2]" 1
411 1 33 CYS HA 1 35 CYS H . . 3.980 3.626 3.361 3.923 . 0 0 "[ . 1 . 2]" 1
412 1 33 CYS HB2 1 34 LYS H . . 4.820 4.230 4.017 4.470 . 0 0 "[ . 1 . 2]" 1
413 1 33 CYS HB3 1 34 LYS H . . 4.470 4.254 4.029 4.449 . 0 0 "[ . 1 . 2]" 1
414 1 34 LYS H 1 34 LYS HB2 . . 3.200 2.506 2.338 2.720 . 0 0 "[ . 1 . 2]" 1
415 1 34 LYS H 1 34 LYS HB3 . . 3.890 3.668 3.591 3.800 . 0 0 "[ . 1 . 2]" 1
416 1 34 LYS H 1 34 LYS HE2 . . 5.500 5.004 4.041 5.728 0.228 19 0 "[ . 1 . 2]" 1
417 1 34 LYS H 1 34 LYS HE3 . . 5.500 4.847 3.842 5.716 0.216 11 0 "[ . 1 . 2]" 1
418 1 34 LYS H 1 34 LYS QG . . 3.290 2.643 2.177 2.906 . 0 0 "[ . 1 . 2]" 1
419 1 34 LYS H 1 35 CYS H . . 3.190 2.566 2.215 2.953 . 0 0 "[ . 1 . 2]" 1
420 1 34 LYS H 1 35 CYS HA . . 5.490 4.576 4.318 4.912 . 0 0 "[ . 1 . 2]" 1
421 1 34 LYS H 1 35 CYS HB2 . . 5.100 4.180 3.970 4.500 . 0 0 "[ . 1 . 2]" 1
422 1 34 LYS H 1 35 CYS HB3 . . 5.500 4.829 4.431 5.427 . 0 0 "[ . 1 . 2]" 1
423 1 34 LYS HA 1 34 LYS HE2 . . 5.500 4.261 1.908 5.455 . 0 0 "[ . 1 . 2]" 1
424 1 34 LYS HA 1 34 LYS HE3 . . 5.500 4.127 2.314 5.501 0.001 20 0 "[ . 1 . 2]" 1
425 1 34 LYS HA 1 34 LYS HG2 . . 4.140 2.805 2.441 3.296 . 0 0 "[ . 1 . 2]" 1
426 1 34 LYS HA 1 34 LYS QG . . 3.580 2.687 2.362 3.110 . 0 0 "[ . 1 . 2]" 1
427 1 34 LYS HA 1 34 LYS HG3 . . 4.140 3.478 3.000 3.840 . 0 0 "[ . 1 . 2]" 1
428 1 34 LYS HB2 1 35 CYS H . . 4.740 3.928 3.739 4.120 . 0 0 "[ . 1 . 2]" 1
429 1 34 LYS HB3 1 34 LYS QG . . 2.620 2.370 2.281 2.467 . 0 0 "[ . 1 . 2]" 1
430 1 34 LYS HB3 1 35 CYS H . . 4.820 4.432 4.303 4.498 . 0 0 "[ . 1 . 2]" 1
431 1 34 LYS QE 1 34 LYS QG . . 2.980 2.331 2.080 2.795 . 0 0 "[ . 1 . 2]" 1
432 1 34 LYS QG 1 35 CYS H . . 5.230 4.527 4.373 4.716 . 0 0 "[ . 1 . 2]" 1
433 1 35 CYS H 1 35 CYS HB2 . . 3.040 2.619 2.446 2.844 . 0 0 "[ . 1 . 2]" 1
434 1 35 CYS H 1 35 CYS HB3 . . 3.090 2.565 2.452 2.876 . 0 0 "[ . 1 . 2]" 1
435 1 35 CYS H 1 36 GLN H . . 5.390 4.482 4.095 4.572 . 0 0 "[ . 1 . 2]" 1
436 1 35 CYS H 1 37 SER H . . 5.150 5.117 4.724 5.249 0.099 18 0 "[ . 1 . 2]" 1
437 1 35 CYS H 1 38 CYS H . . 5.500 5.388 4.942 5.577 0.077 7 0 "[ . 1 . 2]" 1
438 1 35 CYS H 1 39 LYS QB . . 5.070 4.807 3.743 5.174 0.104 18 0 "[ . 1 . 2]" 1
439 1 35 CYS H 1 39 LYS HD2 . . 5.500 4.859 3.336 5.788 0.288 18 0 "[ . 1 . 2]" 1
440 1 35 CYS H 1 39 LYS QD . . 4.720 3.526 2.825 4.397 . 0 0 "[ . 1 . 2]" 1
441 1 35 CYS H 1 39 LYS HD3 . . 5.500 3.775 2.983 5.748 0.248 1 0 "[ . 1 . 2]" 1
442 1 35 CYS H 1 39 LYS QG . . 4.810 4.542 3.319 5.018 0.208 10 0 "[ . 1 . 2]" 1
443 1 35 CYS HA 1 36 GLN H . . 2.710 2.171 1.977 2.452 . 0 0 "[ . 1 . 2]" 1
444 1 35 CYS HB2 1 36 GLN H . . 4.530 4.164 3.979 4.586 0.056 1 0 "[ . 1 . 2]" 1
445 1 35 CYS HB2 1 37 SER H . . 4.640 4.284 4.123 4.589 . 0 0 "[ . 1 . 2]" 1
446 1 35 CYS HB3 1 36 GLN H . . 4.260 4.015 3.523 4.288 0.028 4 0 "[ . 1 . 2]" 1
447 1 35 CYS HB3 1 37 SER H . . 4.130 3.435 3.052 3.708 . 0 0 "[ . 1 . 2]" 1
448 1 35 CYS HB3 1 38 CYS H . . 3.720 3.202 2.833 3.830 0.110 12 0 "[ . 1 . 2]" 1
449 1 35 CYS HB3 1 39 LYS H . . 5.120 4.175 3.677 4.688 . 0 0 "[ . 1 . 2]" 1
450 1 36 GLN H 1 36 GLN HB2 . . 3.810 2.964 2.482 3.660 . 0 0 "[ . 1 . 2]" 1
451 1 36 GLN H 1 36 GLN QB . . 3.110 2.589 2.441 2.757 . 0 0 "[ . 1 . 2]" 1
452 1 36 GLN H 1 36 GLN HB3 . . 3.810 3.333 2.623 3.799 . 0 0 "[ . 1 . 2]" 1
453 1 36 GLN H 1 36 GLN HG2 . . 3.780 2.825 1.728 3.843 0.063 18 0 "[ . 1 . 2]" 1
454 1 36 GLN H 1 36 GLN QG . . 3.300 2.241 1.722 2.840 . 0 0 "[ . 1 . 2]" 1
455 1 36 GLN H 1 36 GLN HG3 . . 3.780 2.901 1.785 3.864 0.084 9 0 "[ . 1 . 2]" 1
456 1 36 GLN H 1 37 SER HA . . 5.310 4.816 4.339 5.189 . 0 0 "[ . 1 . 2]" 1
457 1 36 GLN H 1 37 SER QB . . 5.120 4.356 3.773 4.772 . 0 0 "[ . 1 . 2]" 1
458 1 36 GLN H 1 38 CYS H . . 4.900 4.598 3.953 4.926 0.026 7 0 "[ . 1 . 2]" 1
459 1 36 GLN HA 1 36 GLN QE . . 4.670 4.312 1.940 4.947 0.277 19 0 "[ . 1 . 2]" 1
460 1 36 GLN HA 1 36 GLN QG . . 3.580 2.946 2.411 3.509 . 0 0 "[ . 1 . 2]" 1
461 1 36 GLN HA 1 37 SER H . . 3.240 3.229 2.952 3.342 0.102 19 0 "[ . 1 . 2]" 1
462 1 36 GLN HA 1 38 CYS H . . 5.000 4.483 3.653 4.973 . 0 0 "[ . 1 . 2]" 1
463 1 36 GLN HB2 1 37 SER H . . 4.790 3.824 3.315 4.470 . 0 0 "[ . 1 . 2]" 1
464 1 36 GLN HB3 1 37 SER H . . 4.790 4.368 4.218 4.637 . 0 0 "[ . 1 . 2]" 1
465 1 36 GLN QG 1 37 SER H . . 4.410 3.840 2.653 4.468 0.058 1 0 "[ . 1 . 2]" 1
466 1 37 SER H 1 37 SER QB . . 2.850 2.486 2.272 2.620 . 0 0 "[ . 1 . 2]" 1
467 1 37 SER H 1 38 CYS H . . 2.950 2.433 2.095 2.593 . 0 0 "[ . 1 . 2]" 1
468 1 37 SER H 1 38 CYS HA . . 5.010 5.028 4.687 5.147 0.137 19 0 "[ . 1 . 2]" 1
469 1 37 SER H 1 39 LYS H . . 3.980 3.465 2.964 4.027 0.047 1 0 "[ . 1 . 2]" 1
470 1 37 SER HA 1 40 TYR H . . 5.120 4.766 4.061 5.269 0.149 15 0 "[ . 1 . 2]" 1
471 1 37 SER QB 1 38 CYS H . . 3.430 2.636 2.144 3.154 . 0 0 "[ . 1 . 2]" 1
472 1 37 SER QB 1 39 LYS H . . 5.340 4.448 4.140 4.888 . 0 0 "[ . 1 . 2]" 1
473 1 38 CYS H 1 38 CYS HB2 . . 3.860 3.652 3.571 3.760 . 0 0 "[ . 1 . 2]" 1
474 1 38 CYS H 1 38 CYS QB . . 3.230 2.778 2.568 3.023 . 0 0 "[ . 1 . 2]" 1
475 1 38 CYS H 1 38 CYS HB3 . . 3.860 2.884 2.627 3.199 . 0 0 "[ . 1 . 2]" 1
476 1 38 CYS H 1 39 LYS HA . . 5.500 4.900 4.565 5.089 . 0 0 "[ . 1 . 2]" 1
477 1 38 CYS H 1 39 LYS QB . . 4.260 4.185 3.777 4.365 0.105 16 0 "[ . 1 . 2]" 1
478 1 38 CYS H 1 39 LYS QD . . 4.520 3.769 3.308 4.718 0.198 20 0 "[ . 1 . 2]" 1
479 1 38 CYS H 1 39 LYS QE . . 5.500 5.377 4.660 5.736 0.236 16 0 "[ . 1 . 2]" 1
480 1 38 CYS H 1 39 LYS QG . . 5.330 4.706 2.869 5.523 0.193 10 0 "[ . 1 . 2]" 1
481 1 38 CYS H 1 40 TYR H . . 4.880 4.407 3.611 4.848 . 0 0 "[ . 1 . 2]" 1
482 1 38 CYS QB 1 39 LYS H . . 4.470 3.663 3.337 3.910 . 0 0 "[ . 1 . 2]" 1
483 1 39 LYS H 1 39 LYS QB . . 2.990 2.382 2.236 2.770 . 0 0 "[ . 1 . 2]" 1
484 1 39 LYS H 1 39 LYS HD2 . . 4.640 3.141 2.290 4.708 0.068 15 0 "[ . 1 . 2]" 1
485 1 39 LYS H 1 39 LYS QD . . 3.980 2.800 2.130 3.779 . 0 0 "[ . 1 . 2]" 1
486 1 39 LYS H 1 39 LYS HD3 . . 4.640 3.410 2.255 4.697 0.057 20 0 "[ . 1 . 2]" 1
487 1 39 LYS H 1 39 LYS QG . . 4.110 3.286 1.898 3.963 . 0 0 "[ . 1 . 2]" 1
488 1 39 LYS H 1 40 TYR H . . 3.230 2.913 2.286 3.337 0.107 11 0 "[ . 1 . 2]" 1
489 1 39 LYS H 1 40 TYR QB . . 5.340 4.651 3.887 5.387 0.047 15 0 "[ . 1 . 2]" 1
490 1 39 LYS HA 1 39 LYS HD2 . . 4.500 3.170 2.335 4.662 0.162 15 0 "[ . 1 . 2]" 1
491 1 39 LYS HA 1 39 LYS QD . . 3.780 2.964 2.302 4.086 0.306 12 0 "[ . 1 . 2]" 1
492 1 39 LYS HA 1 39 LYS HD3 . . 4.500 4.018 3.403 4.654 0.154 12 0 "[ . 1 . 2]" 1
493 1 39 LYS HA 1 39 LYS QG . . 3.590 2.610 2.297 3.442 . 0 0 "[ . 1 . 2]" 1
494 1 39 LYS HA 1 40 TYR H . . 3.190 2.840 2.441 3.310 0.120 12 0 "[ . 1 . 2]" 1
495 1 39 LYS QB 1 40 TYR H . . 4.380 3.820 3.449 3.891 . 0 0 "[ . 1 . 2]" 1
496 1 39 LYS QE 1 39 LYS QG . . 3.450 2.295 2.034 2.835 . 0 0 "[ . 1 . 2]" 1
497 1 39 LYS QG 1 40 TYR H . . 5.040 4.614 2.888 4.955 . 0 0 "[ . 1 . 2]" 1
498 1 40 TYR H 1 40 TYR HB2 . . 3.630 3.028 2.098 3.633 0.003 10 0 "[ . 1 . 2]" 1
499 1 40 TYR H 1 40 TYR QB . . 2.980 2.408 2.075 2.582 . 0 0 "[ . 1 . 2]" 1
500 1 40 TYR H 1 40 TYR HB3 . . 3.630 2.936 2.312 3.620 . 0 0 "[ . 1 . 2]" 1
501 1 40 TYR H 1 41 GLY H . . 4.740 4.510 3.050 4.659 . 0 0 "[ . 1 . 2]" 1
502 1 40 TYR HA 1 41 GLY H . . 2.920 2.326 2.057 3.438 0.518 11 1 "[ . 1+ . 2]" 1
503 1 40 TYR HA 1 44 CYS H . . 5.390 4.591 3.471 5.448 0.058 18 0 "[ . 1 . 2]" 1
504 1 40 TYR QB 1 41 GLY H . . 3.220 2.768 2.041 3.440 0.220 7 0 "[ . 1 . 2]" 1
505 1 40 TYR QB 1 41 GLY HA3 . . 5.340 4.442 4.002 4.970 . 0 0 "[ . 1 . 2]" 1
506 1 40 TYR QB 1 44 CYS HB2 . . 3.820 3.274 2.151 4.098 0.278 1 0 "[ . 1 . 2]" 1
507 1 41 GLY H 1 42 ALA H . . 4.230 2.644 2.033 3.427 . 0 0 "[ . 1 . 2]" 1
508 1 41 GLY H 1 42 ALA MB . . 4.960 4.421 3.880 5.073 0.113 7 0 "[ . 1 . 2]" 1
509 1 41 GLY H 1 44 CYS H . . 3.670 3.004 2.501 3.462 . 0 0 "[ . 1 . 2]" 1
510 1 41 GLY H 1 44 CYS HB2 . . 3.940 3.168 2.190 3.999 0.059 19 0 "[ . 1 . 2]" 1
511 1 41 GLY H 1 62 LYS HG3 . . 4.930 4.946 4.288 5.154 0.224 10 0 "[ . 1 . 2]" 1
512 1 41 GLY HA2 1 43 GLY H . . 4.230 3.809 3.432 4.258 0.028 12 0 "[ . 1 . 2]" 1
513 1 41 GLY HA2 1 44 CYS H . . 4.590 3.803 3.246 4.595 0.005 16 0 "[ . 1 . 2]" 1
514 1 41 GLY HA3 1 42 ALA H . . 3.080 2.766 2.529 3.114 0.034 14 0 "[ . 1 . 2]" 1
515 1 41 GLY HA3 1 42 ALA MB . . 4.770 4.151 3.989 4.306 . 0 0 "[ . 1 . 2]" 1
516 1 42 ALA H 1 42 ALA MB . . 2.620 2.313 2.239 2.512 . 0 0 "[ . 1 . 2]" 1
517 1 42 ALA H 1 43 GLY H . . 3.180 2.487 2.151 2.787 . 0 0 "[ . 1 . 2]" 1
518 1 42 ALA H 1 43 GLY HA3 . . 4.510 4.467 4.099 4.610 0.100 12 0 "[ . 1 . 2]" 1
519 1 42 ALA H 1 44 CYS H . . 4.640 4.017 3.563 4.292 . 0 0 "[ . 1 . 2]" 1
520 1 42 ALA H 1 64 ASP QB . . 5.340 4.641 4.269 5.000 . 0 0 "[ . 1 . 2]" 1
521 1 42 ALA HA 1 43 GLY H . . 3.340 3.133 2.951 3.387 0.047 12 0 "[ . 1 . 2]" 1
522 1 42 ALA HA 1 44 CYS H . . 5.440 4.352 4.034 4.864 . 0 0 "[ . 1 . 2]" 1
523 1 42 ALA HA 1 62 LYS QD . . 4.990 3.193 1.986 4.548 . 0 0 "[ . 1 . 2]" 1
524 1 42 ALA HA 1 62 LYS HG2 . . 4.830 4.407 4.123 4.843 0.013 6 0 "[ . 1 . 2]" 1
525 1 42 ALA HA 1 62 LYS HG3 . . 4.950 2.763 2.388 3.503 . 0 0 "[ . 1 . 2]" 1
526 1 42 ALA MB 1 43 GLY H . . 3.540 3.398 2.973 3.542 0.002 17 0 "[ . 1 . 2]" 1
527 1 42 ALA MB 1 43 GLY HA2 . . 4.730 4.235 4.090 4.355 . 0 0 "[ . 1 . 2]" 1
528 1 42 ALA MB 1 43 GLY HA3 . . 4.510 4.260 4.037 4.432 . 0 0 "[ . 1 . 2]" 1
529 1 42 ALA MB 1 64 ASP H . . 4.690 4.611 4.242 4.846 0.156 12 0 "[ . 1 . 2]" 1
530 1 43 GLY H 1 43 GLY HA3 . . 2.850 2.577 2.458 2.652 . 0 0 "[ . 1 . 2]" 1
531 1 43 GLY H 1 44 CYS H . . 3.210 1.841 1.740 2.034 . 0 0 "[ . 1 . 2]" 1
532 1 43 GLY H 1 44 CYS HA . . 5.160 4.556 4.441 4.666 . 0 0 "[ . 1 . 2]" 1
533 1 43 GLY H 1 44 CYS HB2 . . 4.350 3.877 3.602 4.155 . 0 0 "[ . 1 . 2]" 1
534 1 43 GLY H 1 44 CYS HB3 . . 5.500 5.319 5.062 5.534 0.034 11 0 "[ . 1 . 2]" 1
535 1 43 GLY H 1 62 LYS HB2 . . 4.140 3.428 3.053 3.912 . 0 0 "[ . 1 . 2]" 1
536 1 43 GLY H 1 62 LYS HB3 . . 4.900 4.627 4.158 4.993 0.093 12 0 "[ . 1 . 2]" 1
537 1 43 GLY H 1 62 LYS QE . . 5.500 5.323 4.376 5.771 0.271 9 0 "[ . 1 . 2]" 1
538 1 43 GLY H 1 62 LYS HG3 . . 4.280 3.037 2.582 3.658 . 0 0 "[ . 1 . 2]" 1
539 1 43 GLY H 1 64 ASP H . . 4.650 4.569 4.319 4.775 0.125 12 0 "[ . 1 . 2]" 1
540 1 43 GLY H 1 64 ASP HB2 . . 4.870 4.430 3.615 5.120 0.250 19 0 "[ . 1 . 2]" 1
541 1 43 GLY H 1 64 ASP QB . . 4.210 3.727 3.449 4.056 . 0 0 "[ . 1 . 2]" 1
542 1 43 GLY H 1 64 ASP HB3 . . 4.870 4.430 3.508 5.123 0.253 16 0 "[ . 1 . 2]" 1
543 1 43 GLY HA2 1 44 CYS H . . 3.210 3.336 3.155 3.450 0.240 14 0 "[ . 1 . 2]" 1
544 1 43 GLY HA2 1 62 LYS HB2 . . 3.920 1.893 1.760 2.193 . 0 0 "[ . 1 . 2]" 1
545 1 43 GLY HA2 1 62 LYS HG2 . . 5.080 4.284 3.917 4.613 . 0 0 "[ . 1 . 2]" 1
546 1 43 GLY HA2 1 62 LYS HG3 . . 3.890 3.553 3.227 3.913 0.023 5 0 "[ . 1 . 2]" 1
547 1 43 GLY HA2 1 63 GLU H . . 5.030 1.932 1.731 2.220 . 0 0 "[ . 1 . 2]" 1
548 1 43 GLY HA2 1 64 ASP H . . 5.220 1.885 1.718 2.036 . 0 0 "[ . 1 . 2]" 1
549 1 43 GLY HA2 1 64 ASP HA . . 4.620 4.220 4.027 4.436 . 0 0 "[ . 1 . 2]" 1
550 1 43 GLY HA3 1 44 CYS H . . 3.510 3.178 2.918 3.438 . 0 0 "[ . 1 . 2]" 1
551 1 43 GLY HA3 1 62 LYS HB2 . . 3.670 3.475 3.396 3.665 . 0 0 "[ . 1 . 2]" 1
552 1 43 GLY HA3 1 62 LYS HB3 . . 5.180 4.955 4.812 5.088 . 0 0 "[ . 1 . 2]" 1
553 1 43 GLY HA3 1 62 LYS HG3 . . 4.940 4.571 4.243 4.875 . 0 0 "[ . 1 . 2]" 1
554 1 43 GLY HA3 1 63 GLU H . . 4.770 3.502 3.275 3.856 . 0 0 "[ . 1 . 2]" 1
555 1 43 GLY HA3 1 64 ASP H . . 4.380 2.860 2.580 3.192 . 0 0 "[ . 1 . 2]" 1
556 1 43 GLY HA3 1 64 ASP HA . . 5.020 4.032 3.776 4.430 . 0 0 "[ . 1 . 2]" 1
557 1 44 CYS H 1 44 CYS HB2 . . 2.930 2.606 2.474 2.898 . 0 0 "[ . 1 . 2]" 1
558 1 44 CYS H 1 61 CYS HA . . 4.940 4.840 4.327 5.059 0.119 16 0 "[ . 1 . 2]" 1
559 1 44 CYS H 1 62 LYS H . . 4.790 3.755 3.318 4.081 . 0 0 "[ . 1 . 2]" 1
560 1 44 CYS H 1 62 LYS HB2 . . 4.650 3.476 3.219 3.669 . 0 0 "[ . 1 . 2]" 1
561 1 44 CYS H 1 62 LYS HB3 . . 4.790 4.926 4.715 5.080 0.290 16 0 "[ . 1 . 2]" 1
562 1 44 CYS H 1 62 LYS HG2 . . 3.800 3.663 3.218 3.976 0.176 2 0 "[ . 1 . 2]" 1
563 1 44 CYS H 1 62 LYS HG3 . . 4.580 3.001 2.336 3.554 . 0 0 "[ . 1 . 2]" 1
564 1 44 CYS HA 1 45 THR H . . 2.680 2.562 2.408 2.675 . 0 0 "[ . 1 . 2]" 1
565 1 44 CYS HA 1 61 CYS H . . 5.500 5.332 5.027 5.526 0.026 1 0 "[ . 1 . 2]" 1
566 1 44 CYS HA 1 62 LYS H . . 4.280 3.160 2.992 3.278 . 0 0 "[ . 1 . 2]" 1
567 1 44 CYS HB3 1 45 THR H . . 3.000 1.869 1.729 2.310 . 0 0 "[ . 1 . 2]" 1
568 1 44 CYS HB3 1 45 THR MG . . 5.500 3.928 3.731 4.175 . 0 0 "[ . 1 . 2]" 1
569 1 44 CYS HB3 1 48 CYS HB3 . . 3.940 3.066 2.477 3.461 . 0 0 "[ . 1 . 2]" 1
570 1 44 CYS HB3 1 49 LYS H . . 5.500 4.781 4.330 5.190 . 0 0 "[ . 1 . 2]" 1
571 1 45 THR H 1 45 THR MG . . 2.670 2.356 2.205 2.491 . 0 0 "[ . 1 . 2]" 1
572 1 45 THR H 1 46 ASP H . . 4.630 4.295 4.228 4.364 . 0 0 "[ . 1 . 2]" 1
573 1 45 THR H 1 46 ASP HA . . 5.170 4.809 4.513 5.046 . 0 0 "[ . 1 . 2]" 1
574 1 45 THR H 1 47 THR HB . . 5.500 5.491 5.277 5.604 0.104 14 0 "[ . 1 . 2]" 1
575 1 45 THR H 1 48 CYS HB3 . . 3.590 2.616 2.354 2.822 . 0 0 "[ . 1 . 2]" 1
576 1 45 THR H 1 49 LYS H . . 4.690 4.444 4.184 4.825 0.135 7 0 "[ . 1 . 2]" 1
577 1 45 THR H 1 49 LYS QD . . 5.320 5.224 3.611 5.722 0.402 6 0 "[ . 1 . 2]" 1
578 1 45 THR H 1 62 LYS H . . 5.500 5.005 4.853 5.156 . 0 0 "[ . 1 . 2]" 1
579 1 45 THR HA 1 46 ASP H . . 2.990 2.528 2.417 2.646 . 0 0 "[ . 1 . 2]" 1
580 1 45 THR HA 1 46 ASP QB . . 5.340 4.456 4.184 4.678 . 0 0 "[ . 1 . 2]" 1
581 1 45 THR HA 1 47 THR H . . 4.280 4.128 3.979 4.203 . 0 0 "[ . 1 . 2]" 1
582 1 45 THR HA 1 48 CYS H . . 5.380 4.817 4.669 4.963 . 0 0 "[ . 1 . 2]" 1
583 1 45 THR MG 1 46 ASP H . . 3.740 3.122 3.002 3.259 . 0 0 "[ . 1 . 2]" 1
584 1 45 THR MG 1 46 ASP HA . . 4.220 4.217 4.065 4.283 0.063 7 0 "[ . 1 . 2]" 1
585 1 45 THR MG 1 47 THR H . . 3.940 1.819 1.708 2.101 . 0 0 "[ . 1 . 2]" 1
586 1 45 THR MG 1 48 CYS H . . 3.670 2.021 1.846 2.292 . 0 0 "[ . 1 . 2]" 1
587 1 45 THR MG 1 48 CYS HA . . 4.480 3.920 3.731 4.094 . 0 0 "[ . 1 . 2]" 1
588 1 45 THR MG 1 48 CYS HB2 . . 4.020 2.643 2.401 2.894 . 0 0 "[ . 1 . 2]" 1
589 1 45 THR MG 1 60 ASN H . . 3.980 2.411 2.231 2.657 . 0 0 "[ . 1 . 2]" 1
590 1 45 THR MG 1 60 ASN HA . . 5.130 4.076 3.894 4.330 . 0 0 "[ . 1 . 2]" 1
591 1 45 THR MG 1 60 ASN HB2 . . 3.930 3.197 2.065 3.969 0.039 13 0 "[ . 1 . 2]" 1
592 1 45 THR MG 1 60 ASN QB . . 3.170 2.316 2.047 2.806 . 0 0 "[ . 1 . 2]" 1
593 1 45 THR MG 1 60 ASN HB3 . . 3.930 2.760 2.074 3.828 . 0 0 "[ . 1 . 2]" 1
594 1 45 THR MG 1 60 ASN QD . . 5.340 4.256 2.915 5.137 . 0 0 "[ . 1 . 2]" 1
595 1 45 THR MG 1 61 CYS H . . 4.010 3.057 2.918 3.244 . 0 0 "[ . 1 . 2]" 1
596 1 45 THR MG 1 61 CYS HA . . 4.030 2.641 2.502 2.934 . 0 0 "[ . 1 . 2]" 1
597 1 45 THR MG 1 62 LYS H . . 4.840 4.685 4.565 4.895 0.055 7 0 "[ . 1 . 2]" 1
598 1 46 ASP H 1 46 ASP QB . . 3.670 2.427 2.226 2.738 . 0 0 "[ . 1 . 2]" 1
599 1 46 ASP H 1 47 THR H . . 3.510 2.496 2.393 2.636 . 0 0 "[ . 1 . 2]" 1
600 1 46 ASP H 1 47 THR HA . . 5.500 5.065 4.957 5.180 . 0 0 "[ . 1 . 2]" 1
601 1 46 ASP H 1 47 THR HB . . 5.500 4.999 4.880 5.167 . 0 0 "[ . 1 . 2]" 1
602 1 46 ASP H 1 48 CYS H . . 5.000 4.198 4.087 4.318 . 0 0 "[ . 1 . 2]" 1
603 1 46 ASP H 1 49 LYS QD . . 5.000 4.727 4.285 4.950 . 0 0 "[ . 1 . 2]" 1
604 1 46 ASP H 1 61 CYS HA . . 5.500 5.639 5.569 5.696 0.196 18 0 "[ . 1 . 2]" 1
605 1 46 ASP HA 1 47 THR H . . 3.540 3.354 3.203 3.415 . 0 0 "[ . 1 . 2]" 1
606 1 46 ASP HA 1 48 CYS H . . 4.460 3.887 3.692 4.248 . 0 0 "[ . 1 . 2]" 1
607 1 46 ASP HA 1 49 LYS H . . 3.870 3.556 3.263 3.936 0.066 14 0 "[ . 1 . 2]" 1
608 1 46 ASP HA 1 49 LYS QB . . 4.550 3.830 3.268 4.447 . 0 0 "[ . 1 . 2]" 1
609 1 46 ASP HA 1 49 LYS HD2 . . 4.100 2.794 2.236 4.264 0.164 16 0 "[ . 1 . 2]" 1
610 1 46 ASP HA 1 49 LYS QD . . 3.430 2.385 2.023 3.327 . 0 0 "[ . 1 . 2]" 1
611 1 46 ASP HA 1 49 LYS HD3 . . 4.100 2.892 2.074 3.938 . 0 0 "[ . 1 . 2]" 1
612 1 46 ASP HA 1 49 LYS QE . . 4.820 4.046 2.460 4.623 . 0 0 "[ . 1 . 2]" 1
613 1 46 ASP HA 1 49 LYS QG . . 5.280 2.330 1.774 2.921 . 0 0 "[ . 1 . 2]" 1
614 1 47 THR H 1 47 THR HB . . 3.560 2.712 2.636 2.853 . 0 0 "[ . 1 . 2]" 1
615 1 47 THR H 1 47 THR MG . . 4.180 3.724 3.657 3.799 . 0 0 "[ . 1 . 2]" 1
616 1 47 THR H 1 48 CYS H . . 3.220 2.403 2.139 2.568 . 0 0 "[ . 1 . 2]" 1
617 1 47 THR H 1 49 LYS H . . 4.850 4.058 3.765 4.283 . 0 0 "[ . 1 . 2]" 1
618 1 47 THR H 1 50 GLN H . . 5.500 5.605 5.374 5.752 0.252 14 0 "[ . 1 . 2]" 1
619 1 47 THR H 1 50 GLN QG . . 5.230 4.566 4.329 4.918 . 0 0 "[ . 1 . 2]" 1
620 1 47 THR HA 1 47 THR MG . . 3.450 2.244 2.198 2.287 . 0 0 "[ . 1 . 2]" 1
621 1 47 THR HA 1 50 GLN QB . . 4.960 4.367 4.055 4.790 . 0 0 "[ . 1 . 2]" 1
622 1 47 THR HA 1 50 GLN HE21 . . 4.460 2.442 1.968 2.851 . 0 0 "[ . 1 . 2]" 1
623 1 47 THR HA 1 50 GLN HE22 . . 4.370 3.420 3.098 3.938 . 0 0 "[ . 1 . 2]" 1
624 1 47 THR HA 1 50 GLN HG2 . . 4.050 3.486 2.976 4.142 0.092 12 0 "[ . 1 . 2]" 1
625 1 47 THR HA 1 50 GLN QG . . 3.500 2.503 2.238 2.844 . 0 0 "[ . 1 . 2]" 1
626 1 47 THR HA 1 50 GLN HG3 . . 4.050 2.571 2.314 2.942 . 0 0 "[ . 1 . 2]" 1
627 1 47 THR HA 1 55 CYS H . . 5.500 4.888 4.607 5.106 . 0 0 "[ . 1 . 2]" 1
628 1 47 THR HB 1 48 CYS H . . 3.910 3.105 2.839 3.253 . 0 0 "[ . 1 . 2]" 1
629 1 47 THR HB 1 48 CYS HA . . 4.500 4.177 3.960 4.323 . 0 0 "[ . 1 . 2]" 1
630 1 47 THR HB 1 54 GLY H . . 5.430 4.832 4.537 5.101 . 0 0 "[ . 1 . 2]" 1
631 1 47 THR HB 1 55 CYS H . . 5.500 4.048 3.593 4.330 . 0 0 "[ . 1 . 2]" 1
632 1 47 THR MG 1 48 CYS H . . 4.400 4.085 3.967 4.168 . 0 0 "[ . 1 . 2]" 1
633 1 47 THR MG 1 48 CYS HA . . 5.100 4.153 4.002 4.330 . 0 0 "[ . 1 . 2]" 1
634 1 47 THR MG 1 50 GLN H . . 5.500 4.985 4.777 5.193 . 0 0 "[ . 1 . 2]" 1
635 1 47 THR MG 1 50 GLN HE21 . . 4.160 3.443 2.814 3.885 . 0 0 "[ . 1 . 2]" 1
636 1 47 THR MG 1 50 GLN HE22 . . 4.700 3.312 2.741 3.844 . 0 0 "[ . 1 . 2]" 1
637 1 47 THR MG 1 54 GLY H . . 3.890 3.233 2.977 3.490 . 0 0 "[ . 1 . 2]" 1
638 1 47 THR MG 1 54 GLY HA2 . . 4.220 3.578 3.336 3.862 . 0 0 "[ . 1 . 2]" 1
639 1 47 THR MG 1 54 GLY HA3 . . 3.780 2.376 2.037 2.785 . 0 0 "[ . 1 . 2]" 1
640 1 47 THR MG 1 55 CYS H . . 3.320 2.759 2.580 3.005 . 0 0 "[ . 1 . 2]" 1
641 1 47 THR MG 1 55 CYS HA . . 3.230 2.499 2.165 2.937 . 0 0 "[ . 1 . 2]" 1
642 1 47 THR MG 1 55 CYS QB . . 4.310 3.757 3.608 3.906 . 0 0 "[ . 1 . 2]" 1
643 1 47 THR MG 1 56 GLY H . . 4.870 4.742 4.297 4.950 0.080 11 0 "[ . 1 . 2]" 1
644 1 48 CYS H 1 48 CYS HB2 . . 3.150 2.771 2.623 2.895 . 0 0 "[ . 1 . 2]" 1
645 1 48 CYS H 1 48 CYS HB3 . . 2.980 2.453 2.347 2.580 . 0 0 "[ . 1 . 2]" 1
646 1 48 CYS H 1 49 LYS H . . 3.180 2.336 2.181 2.510 . 0 0 "[ . 1 . 2]" 1
647 1 48 CYS H 1 49 LYS QG . . 4.310 3.514 3.081 3.861 . 0 0 "[ . 1 . 2]" 1
648 1 48 CYS H 1 50 GLN H . . 5.390 4.069 3.902 4.311 . 0 0 "[ . 1 . 2]" 1
649 1 48 CYS H 1 50 GLN HE21 . . 5.460 5.484 5.224 5.695 0.235 14 0 "[ . 1 . 2]" 1
650 1 48 CYS HA 1 50 GLN H . . 4.270 3.512 3.275 3.784 . 0 0 "[ . 1 . 2]" 1
651 1 48 CYS HA 1 53 CYS HA . . 4.690 3.528 3.113 3.928 . 0 0 "[ . 1 . 2]" 1
652 1 48 CYS HA 1 53 CYS HB3 . . 4.960 4.849 4.634 5.025 0.065 6 0 "[ . 1 . 2]" 1
653 1 48 CYS HA 1 54 GLY H . . 3.670 3.091 2.862 3.594 . 0 0 "[ . 1 . 2]" 1
654 1 48 CYS HA 1 55 CYS H . . 3.770 3.144 2.746 3.792 0.022 9 0 "[ . 1 . 2]" 1
655 1 48 CYS HB2 1 49 LYS H . . 4.280 4.082 3.855 4.258 . 0 0 "[ . 1 . 2]" 1
656 1 48 CYS HB3 1 49 LYS H . . 3.620 2.940 2.591 3.435 . 0 0 "[ . 1 . 2]" 1
657 1 48 CYS HB3 1 50 GLN H . . 4.990 4.900 4.770 5.036 0.046 7 0 "[ . 1 . 2]" 1
658 1 49 LYS H 1 49 LYS QB . . 3.180 2.570 2.445 2.805 . 0 0 "[ . 1 . 2]" 1
659 1 49 LYS H 1 49 LYS QD . . 3.620 3.574 2.893 3.910 0.290 6 0 "[ . 1 . 2]" 1
660 1 49 LYS H 1 49 LYS QE . . 4.760 4.486 3.809 4.800 0.040 16 0 "[ . 1 . 2]" 1
661 1 49 LYS H 1 49 LYS QG . . 2.940 1.985 1.789 2.180 . 0 0 "[ . 1 . 2]" 1
662 1 49 LYS H 1 50 GLN H . . 3.130 2.693 2.448 2.868 . 0 0 "[ . 1 . 2]" 1
663 1 49 LYS H 1 50 GLN QB . . 4.940 4.862 4.703 5.025 0.085 8 0 "[ . 1 . 2]" 1
664 1 49 LYS H 1 50 GLN QG . . 4.770 3.558 3.143 3.826 . 0 0 "[ . 1 . 2]" 1
665 1 49 LYS HA 1 49 LYS QD . . 4.650 4.215 2.101 4.588 . 0 0 "[ . 1 . 2]" 1
666 1 49 LYS HA 1 49 LYS QE . . 4.840 4.218 3.483 5.283 0.443 14 0 "[ . 1 . 2]" 1
667 1 49 LYS HA 1 49 LYS QG . . 3.730 3.260 2.499 3.343 . 0 0 "[ . 1 . 2]" 1
668 1 49 LYS HA 1 50 GLN H . . 3.380 3.211 3.071 3.312 . 0 0 "[ . 1 . 2]" 1
669 1 49 LYS QB 1 49 LYS QD . . 2.510 2.331 2.082 2.772 0.262 7 0 "[ . 1 . 2]" 1
670 1 49 LYS QB 1 49 LYS QE . . 4.000 2.192 1.904 3.462 . 0 0 "[ . 1 . 2]" 1
671 1 49 LYS QB 1 50 GLN H . . 3.990 3.820 3.295 3.979 . 0 0 "[ . 1 . 2]" 1
672 1 49 LYS HB2 1 49 LYS QE . . 4.830 2.484 1.965 4.101 . 0 0 "[ . 1 . 2]" 1
673 1 49 LYS HB2 1 50 GLN H . . 4.550 4.213 3.418 4.441 . 0 0 "[ . 1 . 2]" 1
674 1 49 LYS HB3 1 49 LYS QE . . 4.830 2.749 1.996 3.917 . 0 0 "[ . 1 . 2]" 1
675 1 49 LYS HB3 1 50 GLN H . . 4.550 4.415 4.294 4.605 0.055 8 0 "[ . 1 . 2]" 1
676 1 49 LYS QD 1 50 GLN H . . 5.340 5.062 4.545 5.427 0.087 9 0 "[ . 1 . 2]" 1
677 1 49 LYS QG 1 50 GLN H . . 5.130 3.326 2.888 4.128 . 0 0 "[ . 1 . 2]" 1
678 1 49 LYS QG 1 50 GLN HE21 . . 5.340 4.763 4.001 5.642 0.302 9 0 "[ . 1 . 2]" 1
679 1 50 GLN H 1 50 GLN HA . . 2.940 2.847 2.780 2.901 . 0 0 "[ . 1 . 2]" 1
680 1 50 GLN H 1 50 GLN QB . . 2.790 2.532 2.400 2.666 . 0 0 "[ . 1 . 2]" 1
681 1 50 GLN H 1 50 GLN HG2 . . 3.170 2.893 2.499 3.236 0.066 11 0 "[ . 1 . 2]" 1
682 1 50 GLN H 1 50 GLN QG . . 2.740 2.164 2.040 2.323 . 0 0 "[ . 1 . 2]" 1
683 1 50 GLN H 1 50 GLN HG3 . . 3.170 2.243 2.141 2.548 . 0 0 "[ . 1 . 2]" 1
684 1 50 GLN H 1 51 THR H . . 4.290 3.904 2.617 4.521 0.231 3 0 "[ . 1 . 2]" 1
685 1 50 GLN H 1 54 GLY H . . 4.020 3.419 3.016 3.639 . 0 0 "[ . 1 . 2]" 1
686 1 50 GLN H 1 54 GLY HA3 . . 5.140 4.929 4.463 5.157 0.017 10 0 "[ . 1 . 2]" 1
687 1 50 GLN HA 1 50 GLN HE22 . . 5.500 5.679 5.582 5.861 0.361 12 0 "[ . 1 . 2]" 1
688 1 50 GLN HA 1 50 GLN QG . . 3.610 2.419 2.273 2.579 . 0 0 "[ . 1 . 2]" 1
689 1 50 GLN HA 1 51 THR HA . . 5.500 4.744 4.400 5.304 . 0 0 "[ . 1 . 2]" 1
690 1 50 GLN QB 1 50 GLN HE22 . . 4.360 4.050 4.018 4.072 . 0 0 "[ . 1 . 2]" 1
691 1 50 GLN QB 1 51 THR H . . 2.600 2.228 1.881 2.759 0.159 4 0 "[ . 1 . 2]" 1
692 1 50 GLN QB 1 54 GLY H . . 3.110 2.483 1.911 2.801 . 0 0 "[ . 1 . 2]" 1
693 1 50 GLN QB 1 54 GLY HA2 . . 5.500 3.824 3.315 4.061 . 0 0 "[ . 1 . 2]" 1
694 1 50 GLN QB 1 55 CYS H . . 4.890 4.630 4.207 4.901 0.011 20 0 "[ . 1 . 2]" 1
695 1 50 GLN HE21 1 54 GLY H . . 5.160 5.124 4.428 5.304 0.144 18 0 "[ . 1 . 2]" 1
696 1 50 GLN HE21 1 54 GLY HA3 . . 4.640 4.252 3.213 4.728 0.088 6 0 "[ . 1 . 2]" 1
697 1 50 GLN HE22 1 50 GLN QG . . 3.570 3.180 3.163 3.194 . 0 0 "[ . 1 . 2]" 1
698 1 50 GLN HE22 1 54 GLY H . . 5.500 5.415 5.099 5.589 0.089 5 0 "[ . 1 . 2]" 1
699 1 50 GLN HE22 1 54 GLY HA2 . . 5.370 5.232 4.374 5.427 0.057 18 0 "[ . 1 . 2]" 1
700 1 50 GLN QG 1 51 THR H . . 4.410 3.961 3.796 4.053 . 0 0 "[ . 1 . 2]" 1
701 1 50 GLN QG 1 54 GLY H . . 3.790 2.898 2.676 3.359 . 0 0 "[ . 1 . 2]" 1
702 1 50 GLN HG2 1 54 GLY H . . 4.440 4.505 4.405 4.671 0.231 3 0 "[ . 1 . 2]" 1
703 1 50 GLN HG3 1 54 GLY H . . 4.440 2.936 2.699 3.443 . 0 0 "[ . 1 . 2]" 1
704 1 51 THR H 1 51 THR MG . . 4.630 3.926 3.226 4.039 . 0 0 "[ . 1 . 2]" 1
705 1 51 THR H 1 52 PRO HA . . 4.600 4.484 3.901 4.796 0.196 3 0 "[ . 1 . 2]" 1
706 1 51 THR HA 1 51 THR MG . . 3.750 2.328 2.179 2.407 . 0 0 "[ . 1 . 2]" 1
707 1 51 THR HA 1 52 PRO HA . . 2.770 2.029 1.973 2.109 . 0 0 "[ . 1 . 2]" 1
708 1 51 THR HA 1 52 PRO HB2 . . 5.060 4.366 4.304 4.447 . 0 0 "[ . 1 . 2]" 1
709 1 51 THR HA 1 52 PRO HB3 . . 4.790 4.243 4.190 4.299 . 0 0 "[ . 1 . 2]" 1
710 1 51 THR HA 1 53 CYS H . . 3.990 3.758 3.452 3.992 0.002 20 0 "[ . 1 . 2]" 1
711 1 51 THR HA 1 53 CYS HB2 . . 5.500 4.846 4.550 5.111 . 0 0 "[ . 1 . 2]" 1
712 1 51 THR HB 1 52 PRO HA . . 4.870 4.298 2.932 4.537 . 0 0 "[ . 1 . 2]" 1
713 1 51 THR MG 1 52 PRO HA . . 4.060 2.479 2.240 2.785 . 0 0 "[ . 1 . 2]" 1
714 1 51 THR MG 1 52 PRO HB2 . . 5.450 4.763 4.467 5.111 . 0 0 "[ . 1 . 2]" 1
715 1 51 THR MG 1 52 PRO HB3 . . 5.360 3.965 3.562 4.712 . 0 0 "[ . 1 . 2]" 1
716 1 51 THR MG 1 52 PRO HD2 . . 5.500 4.528 4.261 5.609 0.109 3 0 "[ . 1 . 2]" 1
717 1 51 THR MG 1 52 PRO HD3 . . 5.500 3.636 3.347 5.222 . 0 0 "[ . 1 . 2]" 1
718 1 51 THR MG 1 53 CYS H . . 5.140 4.917 4.725 5.160 0.020 20 0 "[ . 1 . 2]" 1
719 1 52 PRO HB2 1 53 CYS H . . 3.090 2.726 2.118 3.124 0.034 2 0 "[ . 1 . 2]" 1
720 1 52 PRO HB2 1 53 CYS HB2 . . 5.500 3.607 3.445 3.719 . 0 0 "[ . 1 . 2]" 1
721 1 52 PRO HB3 1 53 CYS H . . 4.020 3.895 3.627 4.024 0.004 7 0 "[ . 1 . 2]" 1
722 1 52 PRO QD 1 53 CYS H . . 4.020 2.469 2.229 2.710 . 0 0 "[ . 1 . 2]" 1
723 1 52 PRO QG 1 53 CYS H . . 3.670 2.758 2.008 3.510 . 0 0 "[ . 1 . 2]" 1
724 1 52 PRO HG2 1 53 CYS H . . 4.230 2.851 2.019 3.712 . 0 0 "[ . 1 . 2]" 1
725 1 52 PRO HG3 1 53 CYS H . . 4.230 3.984 3.603 4.329 0.099 11 0 "[ . 1 . 2]" 1
726 1 53 CYS H 1 53 CYS HB2 . . 3.170 3.344 3.269 3.412 0.242 13 0 "[ . 1 . 2]" 1
727 1 53 CYS H 1 53 CYS HB3 . . 3.370 3.095 2.974 3.264 . 0 0 "[ . 1 . 2]" 1
728 1 53 CYS H 1 54 GLY HA2 . . 4.760 4.404 4.294 4.466 . 0 0 "[ . 1 . 2]" 1
729 1 53 CYS H 1 54 GLY HA3 . . 5.500 5.335 5.168 5.490 . 0 0 "[ . 1 . 2]" 1
730 1 53 CYS H 1 55 CYS H . . 5.500 5.392 5.330 5.458 . 0 0 "[ . 1 . 2]" 1
731 1 53 CYS HA 1 54 GLY H . . 2.620 2.243 2.174 2.329 . 0 0 "[ . 1 . 2]" 1
732 1 53 CYS HA 1 54 GLY HA2 . . 4.510 4.365 4.338 4.388 . 0 0 "[ . 1 . 2]" 1
733 1 53 CYS HA 1 55 CYS H . . 3.910 3.802 3.677 3.914 0.004 11 0 "[ . 1 . 2]" 1
734 1 53 CYS HB2 1 69 SER QB . . 3.500 3.253 2.477 3.665 0.165 8 0 "[ . 1 . 2]" 1
735 1 53 CYS HB3 1 54 GLY H . . 4.000 3.929 3.694 4.048 0.048 3 0 "[ . 1 . 2]" 1
736 1 53 CYS HB3 1 55 CYS H . . 3.980 3.829 3.586 4.010 0.030 19 0 "[ . 1 . 2]" 1
737 1 53 CYS HB3 1 56 GLY H . . 4.750 3.631 2.995 4.266 . 0 0 "[ . 1 . 2]" 1
738 1 53 CYS HB3 1 69 SER QB . . 3.940 3.200 2.440 3.737 . 0 0 "[ . 1 . 2]" 1
739 1 54 GLY H 1 54 GLY HA3 . . 2.830 2.361 2.295 2.437 . 0 0 "[ . 1 . 2]" 1
740 1 54 GLY H 1 55 CYS H . . 3.060 2.281 2.107 2.475 . 0 0 "[ . 1 . 2]" 1
741 1 54 GLY HA2 1 55 CYS H . . 3.480 3.414 3.301 3.492 0.012 11 0 "[ . 1 . 2]" 1
742 1 54 GLY HA2 1 55 CYS HA . . 4.970 4.774 4.727 4.848 . 0 0 "[ . 1 . 2]" 1
743 1 54 GLY HA2 1 56 GLY H . . 5.050 4.614 3.483 5.156 0.106 17 0 "[ . 1 . 2]" 1
744 1 55 CYS H 1 55 CYS HA . . 2.920 2.811 2.776 2.828 . 0 0 "[ . 1 . 2]" 1
745 1 55 CYS H 1 55 CYS QB . . 2.840 2.348 2.292 2.430 . 0 0 "[ . 1 . 2]" 1
746 1 55 CYS H 1 56 GLY H . . 3.590 2.866 2.490 3.060 . 0 0 "[ . 1 . 2]" 1
747 1 55 CYS H 1 56 GLY QA . . 5.340 4.513 4.360 4.642 . 0 0 "[ . 1 . 2]" 1
748 1 55 CYS H 1 59 CYS HA . . 5.040 4.832 4.469 5.057 0.017 15 0 "[ . 1 . 2]" 1
749 1 55 CYS H 1 59 CYS QB . . 5.340 5.481 5.385 5.561 0.221 5 0 "[ . 1 . 2]" 1
750 1 55 CYS H 1 70 CYS HB2 . . 5.160 5.148 4.473 5.352 0.192 10 0 "[ . 1 . 2]" 1
751 1 55 CYS H 1 70 CYS HB3 . . 4.420 4.120 3.855 4.371 . 0 0 "[ . 1 . 2]" 1
752 1 55 CYS HA 1 59 CYS HA . . 4.260 2.753 2.229 3.310 . 0 0 "[ . 1 . 2]" 1
753 1 55 CYS QB 1 56 GLY H . . 3.490 2.367 1.939 3.269 . 0 0 "[ . 1 . 2]" 1
754 1 55 CYS QB 1 56 GLY QA . . 4.580 3.703 3.581 3.913 . 0 0 "[ . 1 . 2]" 1
755 1 55 CYS QB 1 58 GLY H . . 4.430 3.998 3.309 4.183 . 0 0 "[ . 1 . 2]" 1
756 1 55 CYS QB 1 59 CYS H . . 3.990 3.802 3.087 4.058 0.068 19 0 "[ . 1 . 2]" 1
757 1 55 CYS QB 1 59 CYS HA . . 3.100 2.119 1.980 2.328 . 0 0 "[ . 1 . 2]" 1
758 1 55 CYS QB 1 60 ASN H . . 4.210 3.719 3.492 4.142 . 0 0 "[ . 1 . 2]" 1
759 1 55 CYS QB 1 70 CYS H . . 5.080 4.484 4.226 4.726 . 0 0 "[ . 1 . 2]" 1
760 1 55 CYS QB 1 70 CYS HA . . 4.640 3.700 3.179 4.076 . 0 0 "[ . 1 . 2]" 1
761 1 55 CYS QB 1 70 CYS HB2 . . 3.100 2.205 1.989 2.340 . 0 0 "[ . 1 . 2]" 1
762 1 55 CYS QB 1 70 CYS HB3 . . 2.650 1.956 1.786 2.279 . 0 0 "[ . 1 . 2]" 1
763 1 55 CYS QB 1 71 SER H . . 5.500 5.441 5.280 5.597 0.097 7 0 "[ . 1 . 2]" 1
764 1 56 GLY H 1 58 GLY H . . 4.360 4.164 3.656 4.494 0.134 12 0 "[ . 1 . 2]" 1
765 1 56 GLY H 1 59 CYS HA . . 5.500 5.032 4.714 5.500 . 0 0 "[ . 1 . 2]" 1
766 1 56 GLY H 1 59 CYS QB . . 5.340 4.700 4.124 5.440 0.100 2 0 "[ . 1 . 2]" 1
767 1 56 GLY H 1 70 CYS HB3 . . 5.090 2.923 2.245 3.889 . 0 0 "[ . 1 . 2]" 1
768 1 56 GLY QA 1 58 GLY H . . 4.820 3.455 3.232 3.936 . 0 0 "[ . 1 . 2]" 1
769 1 57 SER HA 1 58 GLY H . . 3.230 3.256 2.994 3.347 0.117 15 0 "[ . 1 . 2]" 1
770 1 57 SER QB 1 58 GLY H . . 4.320 3.404 3.166 3.852 . 0 0 "[ . 1 . 2]" 1
771 1 58 GLY H 1 59 CYS H . . 3.500 3.277 2.922 3.564 0.064 15 0 "[ . 1 . 2]" 1
772 1 58 GLY H 1 59 CYS HA . . 4.600 4.339 4.122 4.563 . 0 0 "[ . 1 . 2]" 1
773 1 58 GLY H 1 59 CYS HB2 . . 5.480 4.591 4.359 4.905 . 0 0 "[ . 1 . 2]" 1
774 1 58 GLY H 1 59 CYS QB . . 4.660 4.281 4.088 4.522 . 0 0 "[ . 1 . 2]" 1
775 1 58 GLY H 1 59 CYS HB3 . . 5.480 5.122 4.945 5.299 . 0 0 "[ . 1 . 2]" 1
776 1 58 GLY H 1 70 CYS HB2 . . 5.500 5.440 5.170 5.627 0.127 8 0 "[ . 1 . 2]" 1
777 1 58 GLY QA 1 59 CYS H . . 2.980 2.349 2.157 2.625 . 0 0 "[ . 1 . 2]" 1
778 1 59 CYS H 1 59 CYS HB2 . . 3.020 2.825 2.668 2.981 . 0 0 "[ . 1 . 2]" 1
779 1 59 CYS H 1 59 CYS QB . . 2.640 2.190 2.144 2.238 . 0 0 "[ . 1 . 2]" 1
780 1 59 CYS H 1 59 CYS HB3 . . 3.020 2.286 2.210 2.403 . 0 0 "[ . 1 . 2]" 1
781 1 59 CYS H 1 60 ASN H . . 4.630 4.580 4.529 4.624 . 0 0 "[ . 1 . 2]" 1
782 1 59 CYS HA 1 60 ASN H . . 2.970 2.255 2.180 2.372 . 0 0 "[ . 1 . 2]" 1
783 1 59 CYS HA 1 61 CYS H . . 4.030 3.899 3.794 4.094 0.064 13 0 "[ . 1 . 2]" 1
784 1 60 ASN H 1 60 ASN HB2 . . 3.890 3.026 2.595 3.312 . 0 0 "[ . 1 . 2]" 1
785 1 60 ASN H 1 60 ASN QB . . 3.200 2.690 2.551 2.795 . 0 0 "[ . 1 . 2]" 1
786 1 60 ASN H 1 60 ASN HB3 . . 3.890 3.243 2.726 3.851 . 0 0 "[ . 1 . 2]" 1
787 1 60 ASN H 1 60 ASN QD . . 5.200 4.540 3.021 4.862 . 0 0 "[ . 1 . 2]" 1
788 1 60 ASN HA 1 61 CYS H . . 3.210 3.006 2.903 3.075 . 0 0 "[ . 1 . 2]" 1
789 1 60 ASN QB 1 61 CYS H . . 4.220 3.743 3.659 3.836 . 0 0 "[ . 1 . 2]" 1
790 1 60 ASN QD 1 61 CYS H . . 5.340 5.062 4.371 5.474 0.134 7 0 "[ . 1 . 2]" 1
791 1 61 CYS H 1 61 CYS HB2 . . 3.010 2.272 2.203 2.335 . 0 0 "[ . 1 . 2]" 1
792 1 61 CYS H 1 61 CYS HB3 . . 3.620 3.550 3.504 3.583 . 0 0 "[ . 1 . 2]" 1
793 1 61 CYS H 1 62 LYS H . . 4.670 4.492 4.437 4.549 . 0 0 "[ . 1 . 2]" 1
794 1 61 CYS HA 1 62 LYS H . . 3.020 2.637 2.570 2.726 . 0 0 "[ . 1 . 2]" 1
795 1 61 CYS HA 1 62 LYS HA . . 4.600 4.317 4.293 4.351 . 0 0 "[ . 1 . 2]" 1
796 1 61 CYS HA 1 62 LYS HG2 . . 4.680 3.596 3.287 4.028 . 0 0 "[ . 1 . 2]" 1
797 1 61 CYS HA 1 62 LYS HG3 . . 5.310 4.964 4.194 5.358 0.048 11 0 "[ . 1 . 2]" 1
798 1 61 CYS HB2 1 62 LYS H . . 3.680 3.328 3.204 3.480 . 0 0 "[ . 1 . 2]" 1
799 1 61 CYS HB3 1 62 LYS H . . 3.040 1.848 1.766 1.967 . 0 0 "[ . 1 . 2]" 1
800 1 61 CYS HB3 1 62 LYS HG2 . . 4.810 4.435 4.230 4.841 0.031 2 0 "[ . 1 . 2]" 1
801 1 61 CYS HB3 1 63 GLU H . . 5.150 3.805 3.487 4.416 . 0 0 "[ . 1 . 2]" 1
802 1 62 LYS H 1 62 LYS HB2 . . 3.280 2.453 2.329 2.550 . 0 0 "[ . 1 . 2]" 1
803 1 62 LYS H 1 62 LYS HB3 . . 3.810 3.638 3.571 3.688 . 0 0 "[ . 1 . 2]" 1
804 1 62 LYS H 1 62 LYS QE . . 4.950 4.357 3.458 5.033 0.083 15 0 "[ . 1 . 2]" 1
805 1 62 LYS H 1 62 LYS HG2 . . 3.360 2.727 2.546 3.197 . 0 0 "[ . 1 . 2]" 1
806 1 62 LYS H 1 62 LYS HG3 . . 3.940 3.549 2.890 3.817 . 0 0 "[ . 1 . 2]" 1
807 1 62 LYS H 1 63 GLU QB . . 5.340 5.091 4.972 5.416 0.076 8 0 "[ . 1 . 2]" 1
808 1 62 LYS H 1 64 ASP H . . 5.150 4.506 4.259 4.708 . 0 0 "[ . 1 . 2]" 1
809 1 62 LYS H 1 65 CYS H . . 5.270 5.275 5.036 5.489 0.219 14 0 "[ . 1 . 2]" 1
810 1 62 LYS H 1 65 CYS HB2 . . 3.980 3.942 3.830 4.064 0.084 20 0 "[ . 1 . 2]" 1
811 1 62 LYS H 1 97 ARG QD . . 5.340 5.381 5.134 5.615 0.275 3 0 "[ . 1 . 2]" 1
812 1 62 LYS HA 1 62 LYS QD . . 4.070 3.058 2.212 4.093 0.023 2 0 "[ . 1 . 2]" 1
813 1 62 LYS HA 1 63 GLU QB . . 4.750 4.239 4.068 4.778 0.028 8 0 "[ . 1 . 2]" 1
814 1 62 LYS HB2 1 63 GLU H . . 2.940 1.897 1.787 2.051 . 0 0 "[ . 1 . 2]" 1
815 1 62 LYS HB2 1 64 ASP H . . 3.340 3.036 2.787 3.284 . 0 0 "[ . 1 . 2]" 1
816 1 62 LYS HB2 1 65 CYS H . . 5.310 5.339 5.083 5.498 0.188 14 0 "[ . 1 . 2]" 1
817 1 62 LYS HB3 1 62 LYS QD . . 3.710 2.460 2.243 2.834 . 0 0 "[ . 1 . 2]" 1
818 1 62 LYS HB3 1 63 GLU H . . 3.040 2.806 2.539 2.987 . 0 0 "[ . 1 . 2]" 1
819 1 62 LYS HB3 1 64 ASP H . . 3.960 3.814 3.562 4.058 0.098 7 0 "[ . 1 . 2]" 1
820 1 62 LYS QE 1 63 GLU H . . 5.050 4.589 4.245 4.807 . 0 0 "[ . 1 . 2]" 1
821 1 62 LYS HG2 1 63 GLU H . . 4.490 4.260 4.122 4.466 . 0 0 "[ . 1 . 2]" 1
822 1 62 LYS HG3 1 63 GLU H . . 4.280 4.143 3.908 4.331 0.051 11 0 "[ . 1 . 2]" 1
823 1 62 LYS HG3 1 64 ASP H . . 5.340 5.032 4.713 5.256 . 0 0 "[ . 1 . 2]" 1
824 1 63 GLU H 1 63 GLU HB2 . . 3.800 3.360 2.856 3.925 0.125 2 0 "[ . 1 . 2]" 1
825 1 63 GLU H 1 63 GLU QB . . 3.090 2.917 2.628 3.285 0.195 2 0 "[ . 1 . 2]" 1
826 1 63 GLU H 1 63 GLU HB3 . . 3.800 3.275 2.766 3.852 0.052 8 0 "[ . 1 . 2]" 1
827 1 63 GLU H 1 63 GLU QG . . 4.260 4.125 2.522 4.364 0.104 19 0 "[ . 1 . 2]" 1
828 1 63 GLU H 1 64 ASP H . . 3.120 1.909 1.761 2.127 . 0 0 "[ . 1 . 2]" 1
829 1 63 GLU H 1 64 ASP HA . . 4.640 4.451 4.378 4.588 . 0 0 "[ . 1 . 2]" 1
830 1 63 GLU H 1 64 ASP QB . . 4.900 3.772 3.636 3.904 . 0 0 "[ . 1 . 2]" 1
831 1 63 GLU H 1 65 CYS H . . 4.000 3.817 3.430 4.046 0.046 8 0 "[ . 1 . 2]" 1
832 1 63 GLU H 1 65 CYS HB2 . . 5.500 4.294 3.979 4.764 . 0 0 "[ . 1 . 2]" 1
833 1 63 GLU H 1 97 ARG QD . . 5.230 4.594 4.060 5.028 . 0 0 "[ . 1 . 2]" 1
834 1 63 GLU HA 1 63 GLU QG . . 3.650 2.508 2.226 3.329 . 0 0 "[ . 1 . 2]" 1
835 1 63 GLU HA 1 65 CYS H . . 3.850 3.779 3.538 4.025 0.175 6 0 "[ . 1 . 2]" 1
836 1 63 GLU HA 1 97 ARG QD . . 3.630 2.855 1.938 3.799 0.169 19 0 "[ . 1 . 2]" 1
837 1 63 GLU HA 1 97 ARG QG . . 4.550 3.945 3.201 4.592 0.042 20 0 "[ . 1 . 2]" 1
838 1 63 GLU QB 1 64 ASP H . . 3.230 2.688 2.337 3.279 0.049 2 0 "[ . 1 . 2]" 1
839 1 63 GLU HB2 1 64 ASP H . . 3.890 3.692 2.844 3.971 0.081 15 0 "[ . 1 . 2]" 1
840 1 63 GLU HB3 1 64 ASP H . . 3.890 2.831 2.366 3.917 0.027 2 0 "[ . 1 . 2]" 1
841 1 63 GLU QG 1 64 ASP H . . 4.710 3.883 2.024 4.640 . 0 0 "[ . 1 . 2]" 1
842 1 64 ASP H 1 64 ASP HB2 . . 3.280 2.350 2.176 2.709 . 0 0 "[ . 1 . 2]" 1
843 1 64 ASP H 1 64 ASP QB . . 2.800 2.238 2.127 2.320 . 0 0 "[ . 1 . 2]" 1
844 1 64 ASP H 1 64 ASP HB3 . . 3.280 3.110 2.493 3.523 0.243 2 0 "[ . 1 . 2]" 1
845 1 64 ASP H 1 65 CYS HB2 . . 4.860 4.868 4.592 4.972 0.112 7 0 "[ . 1 . 2]" 1
846 1 64 ASP H 1 65 CYS HB3 . . 5.500 5.379 5.108 5.525 0.025 5 0 "[ . 1 . 2]" 1
847 1 64 ASP H 1 97 ARG QG . . 5.340 5.209 4.599 5.636 0.296 20 0 "[ . 1 . 2]" 1
848 1 64 ASP HA 1 96 ASP QB . . 3.670 3.383 2.986 4.134 0.464 14 0 "[ . 1 . 2]" 1
849 1 64 ASP HA 1 97 ARG H . . 4.440 4.040 3.426 4.534 0.094 5 0 "[ . 1 . 2]" 1
850 1 64 ASP QB 1 65 CYS H . . 4.470 3.915 3.855 4.030 . 0 0 "[ . 1 . 2]" 1
851 1 65 CYS H 1 65 CYS HB2 . . 3.050 2.905 2.766 3.083 0.033 12 0 "[ . 1 . 2]" 1
852 1 65 CYS H 1 65 CYS HB3 . . 2.990 2.492 2.398 2.583 . 0 0 "[ . 1 . 2]" 1
853 1 65 CYS H 1 66 ARG H . . 4.740 4.487 4.337 4.572 . 0 0 "[ . 1 . 2]" 1
854 1 65 CYS H 1 96 ASP QB . . 4.940 3.730 3.214 4.840 . 0 0 "[ . 1 . 2]" 1
855 1 65 CYS H 1 97 ARG QB . . 4.860 3.850 3.048 4.864 0.004 15 0 "[ . 1 . 2]" 1
856 1 65 CYS H 1 97 ARG QD . . 3.480 3.114 2.493 3.601 0.121 7 0 "[ . 1 . 2]" 1
857 1 65 CYS H 1 97 ARG HG2 . . 4.540 3.619 2.283 4.754 0.214 16 0 "[ . 1 . 2]" 1
858 1 65 CYS H 1 97 ARG QG . . 3.850 2.600 2.226 2.989 . 0 0 "[ . 1 . 2]" 1
859 1 65 CYS H 1 97 ARG HG3 . . 4.540 3.045 2.238 4.268 . 0 0 "[ . 1 . 2]" 1
860 1 65 CYS H 1 98 SER QB . . 5.340 5.109 4.090 5.572 0.232 11 0 "[ . 1 . 2]" 1
861 1 65 CYS HA 1 66 ARG H . . 3.000 2.174 2.090 2.235 . 0 0 "[ . 1 . 2]" 1
862 1 65 CYS HA 1 67 CYS H . . 4.390 3.684 3.471 3.844 . 0 0 "[ . 1 . 2]" 1
863 1 65 CYS HB2 1 66 ARG H . . 4.380 4.096 3.985 4.303 . 0 0 "[ . 1 . 2]" 1
864 1 65 CYS HB3 1 66 ARG H . . 4.560 4.111 3.919 4.341 . 0 0 "[ . 1 . 2]" 1
865 1 65 CYS HB3 1 67 CYS H . . 5.320 3.731 3.389 3.932 . 0 0 "[ . 1 . 2]" 1
866 1 66 ARG H 1 66 ARG QB . . 3.650 2.547 2.102 3.189 . 0 0 "[ . 1 . 2]" 1
867 1 66 ARG H 1 66 ARG QD . . 4.750 3.590 1.819 4.503 . 0 0 "[ . 1 . 2]" 1
868 1 66 ARG H 1 66 ARG HG2 . . 4.310 3.734 2.808 4.453 0.143 10 0 "[ . 1 . 2]" 1
869 1 66 ARG H 1 66 ARG QG . . 3.560 2.784 1.856 3.385 . 0 0 "[ . 1 . 2]" 1
870 1 66 ARG H 1 66 ARG HG3 . . 4.310 3.027 1.867 4.001 . 0 0 "[ . 1 . 2]" 1
871 1 66 ARG H 1 67 CYS H . . 3.240 2.430 2.163 2.717 . 0 0 "[ . 1 . 2]" 1
872 1 66 ARG H 1 67 CYS HB2 . . 4.770 4.136 3.833 4.419 . 0 0 "[ . 1 . 2]" 1
873 1 66 ARG H 1 96 ASP HA . . 4.960 4.407 3.709 4.971 0.011 18 0 "[ . 1 . 2]" 1
874 1 66 ARG HA 1 67 CYS H . . 3.510 3.090 2.774 3.231 . 0 0 "[ . 1 . 2]" 1
875 1 66 ARG HA 1 96 ASP H . . 4.590 4.111 3.638 4.514 . 0 0 "[ . 1 . 2]" 1
876 1 66 ARG HA 1 96 ASP HA . . 3.340 1.975 1.705 2.377 . 0 0 "[ . 1 . 2]" 1
877 1 66 ARG HA 1 96 ASP HB2 . . 4.400 3.570 2.977 4.632 0.232 8 0 "[ . 1 . 2]" 1
878 1 66 ARG HA 1 96 ASP HB3 . . 4.400 3.083 1.994 4.468 0.068 14 0 "[ . 1 . 2]" 1
879 1 66 ARG HA 1 97 ARG H . . 4.950 3.907 3.235 4.529 . 0 0 "[ . 1 . 2]" 1
880 1 66 ARG QB 1 66 ARG QD . . 3.030 2.278 1.972 2.876 . 0 0 "[ . 1 . 2]" 1
881 1 66 ARG QB 1 67 CYS H . . 3.970 3.632 3.412 4.007 0.037 12 0 "[ . 1 . 2]" 1
882 1 66 ARG QB 1 96 ASP H . . 5.340 4.516 2.619 5.368 0.028 18 0 "[ . 1 . 2]" 1
883 1 66 ARG QB 1 96 ASP HA . . 4.970 3.626 2.170 4.415 . 0 0 "[ . 1 . 2]" 1
884 1 66 ARG HB2 1 67 CYS H . . 4.550 3.897 3.653 4.432 . 0 0 "[ . 1 . 2]" 1
885 1 66 ARG HB3 1 67 CYS H . . 4.550 4.356 4.061 4.630 0.080 13 0 "[ . 1 . 2]" 1
886 1 66 ARG QG 1 67 CYS H . . 5.340 4.419 3.847 4.800 . 0 0 "[ . 1 . 2]" 1
887 1 66 ARG QG 1 96 ASP H . . 4.130 4.076 3.252 4.401 0.271 8 0 "[ . 1 . 2]" 1
888 1 66 ARG QG 1 96 ASP HA . . 4.150 3.450 2.579 4.242 0.092 12 0 "[ . 1 . 2]" 1
889 1 66 ARG QG 1 96 ASP QB . . 4.220 2.350 1.768 4.328 0.108 2 0 "[ . 1 . 2]" 1
890 1 67 CYS H 1 67 CYS HB2 . . 3.110 2.681 2.499 2.810 . 0 0 "[ . 1 . 2]" 1
891 1 67 CYS H 1 67 CYS HB3 . . 2.980 2.558 2.445 2.722 . 0 0 "[ . 1 . 2]" 1
892 1 67 CYS H 1 71 SER H . . 5.500 5.208 4.814 5.498 . 0 0 "[ . 1 . 2]" 1
893 1 67 CYS H 1 96 ASP HA . . 5.110 4.450 4.074 4.897 . 0 0 "[ . 1 . 2]" 1
894 1 67 CYS HA 1 68 GLN H . . 2.920 2.179 2.046 2.343 . 0 0 "[ . 1 . 2]" 1
895 1 67 CYS HA 1 68 GLN HE21 . . 4.920 3.387 2.971 4.958 0.038 7 0 "[ . 1 . 2]" 1
896 1 67 CYS HA 1 68 GLN HE22 . . 4.980 3.741 2.939 4.705 . 0 0 "[ . 1 . 2]" 1
897 1 67 CYS HA 1 68 GLN HG2 . . 4.670 4.454 3.243 4.860 0.190 15 0 "[ . 1 . 2]" 1
898 1 67 CYS HA 1 69 SER H . . 4.060 3.617 3.328 3.877 . 0 0 "[ . 1 . 2]" 1
899 1 67 CYS HA 1 70 CYS H . . 5.500 5.098 4.869 5.391 . 0 0 "[ . 1 . 2]" 1
900 1 67 CYS HB2 1 68 GLN H . . 4.290 4.166 3.868 4.379 0.089 3 0 "[ . 1 . 2]" 1
901 1 67 CYS HB2 1 69 SER H . . 4.650 4.289 4.196 4.438 . 0 0 "[ . 1 . 2]" 1
902 1 67 CYS HB2 1 70 CYS H . . 5.020 4.824 4.659 4.954 . 0 0 "[ . 1 . 2]" 1
903 1 67 CYS HB2 1 71 SER H . . 5.500 5.597 5.507 5.740 0.240 3 0 "[ . 1 . 2]" 1
904 1 67 CYS HB3 1 68 GLN H . . 4.220 3.991 3.640 4.254 0.034 13 0 "[ . 1 . 2]" 1
905 1 67 CYS HB3 1 69 SER H . . 4.340 3.464 3.279 3.701 . 0 0 "[ . 1 . 2]" 1
906 1 67 CYS HB3 1 70 CYS H . . 3.990 3.373 3.232 3.600 . 0 0 "[ . 1 . 2]" 1
907 1 67 CYS HB3 1 71 SER H . . 4.550 3.919 3.816 4.082 . 0 0 "[ . 1 . 2]" 1
908 1 68 GLN H 1 68 GLN QB . . 3.590 2.813 2.617 3.036 . 0 0 "[ . 1 . 2]" 1
909 1 68 GLN H 1 68 GLN HE21 . . 4.620 2.376 1.791 3.702 . 0 0 "[ . 1 . 2]" 1
910 1 68 GLN H 1 68 GLN HG2 . . 3.150 2.443 2.092 2.856 . 0 0 "[ . 1 . 2]" 1
911 1 68 GLN H 1 68 GLN HG3 . . 3.750 3.734 3.643 3.840 0.090 11 0 "[ . 1 . 2]" 1
912 1 68 GLN H 1 69 SER H . . 3.260 2.409 1.958 2.635 . 0 0 "[ . 1 . 2]" 1
913 1 68 GLN H 1 69 SER HA . . 5.130 4.717 4.450 4.944 . 0 0 "[ . 1 . 2]" 1
914 1 68 GLN H 1 69 SER QB . . 4.430 4.145 3.586 4.500 0.070 3 0 "[ . 1 . 2]" 1
915 1 68 GLN H 1 70 CYS H . . 4.660 4.451 3.987 4.671 0.011 4 0 "[ . 1 . 2]" 1
916 1 68 GLN H 1 71 SER QB . . 5.050 4.896 4.371 5.218 0.168 19 0 "[ . 1 . 2]" 1
917 1 68 GLN HA 1 68 GLN HE21 . . 4.550 3.596 3.102 4.718 0.168 7 0 "[ . 1 . 2]" 1
918 1 68 GLN HA 1 68 GLN HE22 . . 5.240 5.011 4.389 5.341 0.101 7 0 "[ . 1 . 2]" 1
919 1 68 GLN HA 1 69 SER H . . 3.350 3.187 3.107 3.286 . 0 0 "[ . 1 . 2]" 1
920 1 68 GLN HA 1 70 CYS H . . 4.280 4.082 3.654 4.342 0.062 10 0 "[ . 1 . 2]" 1
921 1 68 GLN HA 1 71 SER H . . 3.850 3.364 2.835 3.691 . 0 0 "[ . 1 . 2]" 1
922 1 68 GLN HA 1 71 SER QB . . 3.450 2.679 1.991 3.545 0.095 13 0 "[ . 1 . 2]" 1
923 1 68 GLN QB 1 69 SER H . . 4.430 3.906 3.356 3.991 . 0 0 "[ . 1 . 2]" 1
924 1 68 GLN QB 1 95 CYS H . . 5.180 4.440 3.515 5.260 0.080 20 0 "[ . 1 . 2]" 1
925 1 68 GLN HE21 1 94 LYS HA . . 3.840 3.093 2.243 4.167 0.327 3 0 "[ . 1 . 2]" 1
926 1 68 GLN HE21 1 94 LYS QG . . 5.220 4.548 3.714 5.306 0.086 13 0 "[ . 1 . 2]" 1
927 1 68 GLN HE21 1 95 CYS H . . 5.300 4.407 2.855 5.011 . 0 0 "[ . 1 . 2]" 1
928 1 68 GLN HE22 1 68 GLN HG2 . . 3.850 3.823 3.449 4.042 0.192 19 0 "[ . 1 . 2]" 1
929 1 68 GLN HE22 1 94 LYS HA . . 3.790 2.517 2.047 3.549 . 0 0 "[ . 1 . 2]" 1
930 1 68 GLN HE22 1 95 CYS H . . 4.730 4.541 3.025 4.947 0.217 12 0 "[ . 1 . 2]" 1
931 1 68 GLN HG2 1 69 SER H . . 3.830 3.296 2.961 3.934 0.104 20 0 "[ . 1 . 2]" 1
932 1 68 GLN HG3 1 69 SER H . . 5.180 4.834 4.521 5.224 0.044 20 0 "[ . 1 . 2]" 1
933 1 69 SER H 1 69 SER HB2 . . 3.520 2.635 2.453 3.578 0.058 8 0 "[ . 1 . 2]" 1
934 1 69 SER H 1 69 SER QB . . 2.770 2.401 2.275 2.592 . 0 0 "[ . 1 . 2]" 1
935 1 69 SER H 1 69 SER HB3 . . 3.520 3.041 2.490 3.662 0.142 17 0 "[ . 1 . 2]" 1
936 1 69 SER H 1 70 CYS H . . 2.890 2.308 2.193 2.407 . 0 0 "[ . 1 . 2]" 1
937 1 69 SER H 1 70 CYS HA . . 4.830 4.948 4.870 5.025 0.195 11 0 "[ . 1 . 2]" 1
938 1 69 SER H 1 70 CYS HB3 . . 4.990 5.007 4.818 5.113 0.123 14 0 "[ . 1 . 2]" 1
939 1 69 SER H 1 71 SER H . . 3.870 3.485 3.296 3.669 . 0 0 "[ . 1 . 2]" 1
940 1 69 SER H 1 71 SER QB . . 5.040 4.588 4.169 4.995 . 0 0 "[ . 1 . 2]" 1
941 1 69 SER HA 1 70 CYS H . . 3.530 3.519 3.476 3.554 0.024 2 0 "[ . 1 . 2]" 1
942 1 69 SER QB 1 70 CYS H . . 3.580 2.741 2.492 3.293 . 0 0 "[ . 1 . 2]" 1
943 1 69 SER QB 1 70 CYS HB3 . . 4.440 3.749 3.555 4.210 . 0 0 "[ . 1 . 2]" 1
944 1 69 SER HB2 1 70 CYS H . . 4.170 3.393 2.676 4.035 . 0 0 "[ . 1 . 2]" 1
945 1 69 SER HB3 1 70 CYS H . . 4.170 3.312 2.527 4.077 . 0 0 "[ . 1 . 2]" 1
946 1 70 CYS H 1 70 CYS HB2 . . 3.860 3.710 3.609 3.815 . 0 0 "[ . 1 . 2]" 1
947 1 70 CYS H 1 70 CYS HB3 . . 3.550 2.978 2.794 3.157 . 0 0 "[ . 1 . 2]" 1
948 1 70 CYS H 1 71 SER H . . 2.790 2.070 1.888 2.244 . 0 0 "[ . 1 . 2]" 1
949 1 70 CYS H 1 71 SER QB . . 4.290 4.112 3.826 4.316 0.026 8 0 "[ . 1 . 2]" 1
950 1 70 CYS HB2 1 71 SER H . . 4.480 4.036 3.738 4.264 . 0 0 "[ . 1 . 2]" 1
951 1 70 CYS HB3 1 71 SER H . . 4.270 4.192 3.955 4.326 0.056 19 0 "[ . 1 . 2]" 1
952 1 71 SER H 1 71 SER HB2 . . 3.590 2.768 2.422 3.611 0.021 3 0 "[ . 1 . 2]" 1
953 1 71 SER H 1 71 SER QB . . 2.920 2.433 2.244 2.570 . 0 0 "[ . 1 . 2]" 1
954 1 71 SER H 1 71 SER HB3 . . 3.590 3.146 2.534 3.615 0.025 11 0 "[ . 1 . 2]" 1
955 1 71 SER H 1 72 THR H . . 4.720 4.628 4.539 4.689 . 0 0 "[ . 1 . 2]" 1
956 1 71 SER HA 1 72 THR H . . 2.830 2.348 2.143 2.652 . 0 0 "[ . 1 . 2]" 1
957 1 71 SER HA 1 72 THR MG . . 4.450 4.203 3.971 4.480 0.030 5 0 "[ . 1 . 2]" 1
958 1 71 SER QB 1 72 THR H . . 3.050 2.753 2.148 3.222 0.172 14 0 "[ . 1 . 2]" 1
959 1 72 THR H 1 72 THR HB . . 2.930 2.580 2.363 2.806 . 0 0 "[ . 1 . 2]" 1
960 1 72 THR H 1 72 THR MG . . 3.090 2.193 1.950 2.542 . 0 0 "[ . 1 . 2]" 1
961 1 72 THR H 1 73 ALA H . . 4.670 4.582 4.515 4.638 . 0 0 "[ . 1 . 2]" 1
962 1 72 THR H 1 97 ARG QB . . 5.500 4.493 3.354 5.553 0.053 16 0 "[ . 1 . 2]" 1
963 1 72 THR H 1 97 ARG HD2 . . 5.500 4.529 3.282 5.858 0.358 11 0 "[ . 1 . 2]" 1
964 1 72 THR H 1 97 ARG HD3 . . 5.500 5.088 3.877 5.749 0.249 15 0 "[ . 1 . 2]" 1
965 1 72 THR H 1 102 LYS QD . . 5.340 4.824 3.864 5.610 0.270 15 0 "[ . 1 . 2]" 1
966 1 72 THR H 1 102 LYS QE . . 5.340 4.690 3.254 5.779 0.439 18 0 "[ . 1 . 2]" 1
967 1 72 THR HA 1 72 THR MG . . 3.640 3.212 3.195 3.222 . 0 0 "[ . 1 . 2]" 1
968 1 72 THR HA 1 73 ALA H . . 2.510 2.344 2.092 2.526 0.016 11 0 "[ . 1 . 2]" 1
969 1 72 THR HA 1 73 ALA MB . . 4.210 4.068 3.906 4.231 0.021 11 0 "[ . 1 . 2]" 1
970 1 72 THR HA 1 74 CYS H . . 5.500 5.648 5.487 5.764 0.264 3 0 "[ . 1 . 2]" 1
971 1 72 THR HB 1 73 ALA H . . 4.280 3.856 3.656 4.078 . 0 0 "[ . 1 . 2]" 1
972 1 72 THR MG 1 73 ALA H . . 4.550 3.282 2.850 3.845 . 0 0 "[ . 1 . 2]" 1
973 1 72 THR MG 1 75 LYS QE . . 5.430 5.415 4.682 5.813 0.383 5 0 "[ . 1 . 2]" 1
974 1 73 ALA H 1 73 ALA HA . . 2.910 2.796 2.728 2.846 . 0 0 "[ . 1 . 2]" 1
975 1 73 ALA H 1 73 ALA MB . . 2.620 2.226 2.210 2.247 . 0 0 "[ . 1 . 2]" 1
976 1 73 ALA H 1 74 CYS H . . 4.430 4.389 4.275 4.449 0.019 3 0 "[ . 1 . 2]" 1
977 1 73 ALA H 1 90 PRO HG3 . . 5.500 5.152 4.630 5.624 0.124 13 0 "[ . 1 . 2]" 1
978 1 73 ALA HA 1 74 CYS H . . 2.700 2.075 2.036 2.148 . 0 0 "[ . 1 . 2]" 1
979 1 73 ALA HA 1 74 CYS HA . . 4.770 4.381 4.319 4.465 . 0 0 "[ . 1 . 2]" 1
980 1 73 ALA HA 1 74 CYS HB2 . . 5.320 4.276 4.048 4.502 . 0 0 "[ . 1 . 2]" 1
981 1 73 ALA HA 1 74 CYS HB3 . . 5.500 5.315 4.419 5.627 0.127 17 0 "[ . 1 . 2]" 1
982 1 73 ALA HA 1 90 PRO QD . . 5.120 4.035 3.167 4.871 . 0 0 "[ . 1 . 2]" 1
983 1 73 ALA HA 1 90 PRO HG2 . . 5.500 4.287 3.627 4.870 . 0 0 "[ . 1 . 2]" 1
984 1 73 ALA MB 1 74 CYS H . . 3.610 3.216 3.070 3.423 . 0 0 "[ . 1 . 2]" 1
985 1 73 ALA MB 1 74 CYS HA . . 5.500 4.509 4.424 4.612 . 0 0 "[ . 1 . 2]" 1
986 1 73 ALA MB 1 90 PRO QB . . 4.220 3.213 2.352 4.274 0.054 2 0 "[ . 1 . 2]" 1
987 1 73 ALA MB 1 90 PRO QD . . 5.110 3.490 2.721 4.230 . 0 0 "[ . 1 . 2]" 1
988 1 73 ALA MB 1 90 PRO HG2 . . 4.360 3.963 3.377 4.495 0.135 12 0 "[ . 1 . 2]" 1
989 1 73 ALA MB 1 90 PRO HG3 . . 3.450 2.577 1.946 3.265 . 0 0 "[ . 1 . 2]" 1
990 1 74 CYS H 1 74 CYS HB2 . . 3.030 2.277 2.073 2.497 . 0 0 "[ . 1 . 2]" 1
991 1 74 CYS H 1 74 CYS HB3 . . 3.550 3.298 2.432 3.574 0.024 9 0 "[ . 1 . 2]" 1
992 1 74 CYS H 1 75 LYS H . . 4.840 4.585 4.460 4.642 . 0 0 "[ . 1 . 2]" 1
993 1 74 CYS H 1 76 CYS H . . 5.300 4.699 4.192 5.265 . 0 0 "[ . 1 . 2]" 1
994 1 74 CYS H 1 90 PRO HA . . 4.110 3.555 2.967 4.090 . 0 0 "[ . 1 . 2]" 1
995 1 74 CYS H 1 90 PRO HB2 . . 4.540 3.915 3.059 4.549 0.009 8 0 "[ . 1 . 2]" 1
996 1 74 CYS H 1 90 PRO QB . . 3.750 2.308 1.770 2.816 . 0 0 "[ . 1 . 2]" 1
997 1 74 CYS H 1 90 PRO HB3 . . 4.540 2.325 1.777 2.844 . 0 0 "[ . 1 . 2]" 1
998 1 74 CYS H 1 90 PRO HG3 . . 4.840 3.636 2.043 4.677 . 0 0 "[ . 1 . 2]" 1
999 1 74 CYS H 1 93 CYS QB . . 5.500 4.924 4.096 5.546 0.046 20 0 "[ . 1 . 2]" 1
1000 1 74 CYS HA 1 75 LYS H . . 2.700 2.365 2.172 2.621 . 0 0 "[ . 1 . 2]" 1
1001 1 74 CYS HA 1 75 LYS HA . . 5.020 4.339 4.276 4.428 . 0 0 "[ . 1 . 2]" 1
1002 1 74 CYS HA 1 75 LYS QB . . 4.560 4.434 4.259 4.605 0.045 9 0 "[ . 1 . 2]" 1
1003 1 74 CYS HA 1 75 LYS QG . . 4.550 3.995 3.802 4.325 . 0 0 "[ . 1 . 2]" 1
1004 1 74 CYS HA 1 76 CYS H . . 4.480 3.935 3.738 4.218 . 0 0 "[ . 1 . 2]" 1
1005 1 74 CYS HA 1 102 LYS HA . . 5.330 4.678 3.111 6.438 1.108 13 2 "[ . - 1 + . 2]" 1
1006 1 74 CYS HA 1 102 LYS HD2 . . 5.190 3.875 1.989 5.163 . 0 0 "[ . 1 . 2]" 1
1007 1 74 CYS HA 1 102 LYS QD . . 4.560 3.256 1.812 4.340 . 0 0 "[ . 1 . 2]" 1
1008 1 74 CYS HA 1 102 LYS HD3 . . 5.190 3.867 1.864 5.368 0.178 2 0 "[ . 1 . 2]" 1
1009 1 74 CYS HA 1 102 LYS QE . . 3.860 2.642 1.896 3.841 . 0 0 "[ . 1 . 2]" 1
1010 1 74 CYS HA 1 102 LYS QG . . 4.760 4.096 2.513 4.923 0.163 12 0 "[ . 1 . 2]" 1
1011 1 74 CYS HB2 1 75 LYS H . . 4.370 3.843 3.198 4.338 . 0 0 "[ . 1 . 2]" 1
1012 1 74 CYS HB2 1 76 CYS H . . 4.450 3.399 2.385 4.462 0.012 20 0 "[ . 1 . 2]" 1
1013 1 74 CYS HB2 1 89 GLY H . . 5.260 4.767 4.127 5.330 0.070 20 0 "[ . 1 . 2]" 1
1014 1 74 CYS HB2 1 90 PRO HA . . 3.710 3.205 2.266 3.847 0.137 7 0 "[ . 1 . 2]" 1
1015 1 74 CYS HB2 1 93 CYS QB . . 4.040 3.800 2.973 4.293 0.253 13 0 "[ . 1 . 2]" 1
1016 1 74 CYS HB3 1 75 LYS H . . 3.810 2.774 1.843 3.905 0.095 12 0 "[ . 1 . 2]" 1
1017 1 74 CYS HB3 1 76 CYS H . . 3.680 2.532 1.878 3.357 . 0 0 "[ . 1 . 2]" 1
1018 1 75 LYS H 1 75 LYS QB . . 2.750 2.362 2.238 2.970 0.220 15 0 "[ . 1 . 2]" 1
1019 1 75 LYS H 1 75 LYS QG . . 3.280 2.735 2.258 3.130 . 0 0 "[ . 1 . 2]" 1
1020 1 75 LYS H 1 76 CYS H . . 3.110 2.651 2.364 3.189 0.079 20 0 "[ . 1 . 2]" 1
1021 1 75 LYS H 1 102 LYS QD . . 5.340 4.403 2.443 5.517 0.177 8 0 "[ . 1 . 2]" 1
1022 1 75 LYS H 1 102 LYS QE . . 4.470 3.997 2.763 4.766 0.296 5 0 "[ . 1 . 2]" 1
1023 1 75 LYS H 1 102 LYS QG . . 5.340 4.870 2.716 6.120 0.780 13 2 "[ . - + . 2]" 1
1024 1 75 LYS HA 1 75 LYS QD . . 3.130 1.972 1.752 3.400 0.270 15 0 "[ . 1 . 2]" 1
1025 1 75 LYS HA 1 75 LYS QE . . 4.140 3.699 2.302 4.010 . 0 0 "[ . 1 . 2]" 1
1026 1 75 LYS HA 1 75 LYS QG . . 3.730 2.821 2.635 3.490 . 0 0 "[ . 1 . 2]" 1
1027 1 75 LYS HA 1 76 CYS H . . 3.390 3.089 2.752 3.396 0.006 11 0 "[ . 1 . 2]" 1
1028 1 75 LYS HB2 1 76 CYS H . . 4.460 3.820 3.069 4.300 . 0 0 "[ . 1 . 2]" 1
1029 1 75 LYS HB3 1 76 CYS H . . 4.460 4.245 3.784 4.547 0.087 15 0 "[ . 1 . 2]" 1
1030 1 75 LYS QD 1 76 CYS H . . 5.500 4.645 3.858 4.962 . 0 0 "[ . 1 . 2]" 1
1031 1 75 LYS QD 1 76 CYS HA . . 5.500 5.699 5.455 5.856 0.356 5 0 "[ . 1 . 2]" 1
1032 1 75 LYS QG 1 76 CYS H . . 5.270 4.562 3.421 4.835 . 0 0 "[ . 1 . 2]" 1
1033 1 76 CYS H 1 76 CYS QB . . 2.840 2.572 2.357 2.855 0.015 18 0 "[ . 1 . 2]" 1
1034 1 76 CYS H 1 77 ALA H . . 4.690 4.406 4.135 4.558 . 0 0 "[ . 1 . 2]" 1
1035 1 76 CYS H 1 77 ALA MB . . 4.700 4.495 4.176 4.775 0.075 10 0 "[ . 1 . 2]" 1
1036 1 76 CYS H 1 81 CYS HA . . 5.500 5.188 4.578 5.745 0.245 13 0 "[ . 1 . 2]" 1
1037 1 76 CYS H 1 89 GLY H . . 4.720 4.554 3.565 4.811 0.091 5 0 "[ . 1 . 2]" 1
1038 1 76 CYS H 1 89 GLY HA2 . . 4.960 4.621 3.161 5.120 0.160 5 0 "[ . 1 . 2]" 1
1039 1 76 CYS HA 1 77 ALA H . . 2.660 2.180 2.062 2.387 . 0 0 "[ . 1 . 2]" 1
1040 1 76 CYS HA 1 77 ALA MB . . 4.720 3.976 3.793 4.098 . 0 0 "[ . 1 . 2]" 1
1041 1 76 CYS HA 1 81 CYS H . . 5.250 4.429 3.282 5.482 0.232 2 0 "[ . 1 . 2]" 1
1042 1 76 CYS HA 1 81 CYS HA . . 4.770 3.418 2.511 4.491 . 0 0 "[ . 1 . 2]" 1
1043 1 76 CYS QB 1 77 ALA H . . 3.290 3.121 2.214 3.472 0.182 7 0 "[ . 1 . 2]" 1
1044 1 76 CYS QB 1 80 SER H . . 5.070 4.338 3.441 5.212 0.142 18 0 "[ . 1 . 2]" 1
1045 1 76 CYS QB 1 81 CYS H . . 4.480 3.971 3.385 4.658 0.178 8 0 "[ . 1 . 2]" 1
1046 1 76 CYS QB 1 81 CYS HA . . 3.550 2.810 1.956 3.548 . 0 0 "[ . 1 . 2]" 1
1047 1 76 CYS QB 1 87 CYS H . . 5.330 4.390 3.507 5.351 0.021 13 0 "[ . 1 . 2]" 1
1048 1 76 CYS QB 1 88 THR MG . . 4.900 3.473 3.101 3.788 . 0 0 "[ . 1 . 2]" 1
1049 1 76 CYS QB 1 89 GLY H . . 3.050 2.178 1.769 2.898 . 0 0 "[ . 1 . 2]" 1
1050 1 76 CYS HB2 1 77 ALA H . . 4.070 3.976 3.278 4.221 0.151 3 0 "[ . 1 . 2]" 1
1051 1 76 CYS HB2 1 88 THR H . . 4.430 3.456 1.967 4.205 . 0 0 "[ . 1 . 2]" 1
1052 1 76 CYS HB2 1 88 THR HA . . 3.820 2.944 2.159 3.504 . 0 0 "[ . 1 . 2]" 1
1053 1 76 CYS HB2 1 89 GLY H . . 3.710 2.246 1.778 3.017 . 0 0 "[ . 1 . 2]" 1
1054 1 76 CYS HB3 1 77 ALA H . . 4.070 3.297 2.238 4.158 0.088 18 0 "[ . 1 . 2]" 1
1055 1 76 CYS HB3 1 88 THR H . . 4.430 2.826 1.799 3.445 . 0 0 "[ . 1 . 2]" 1
1056 1 76 CYS HB3 1 88 THR HA . . 3.820 2.239 1.790 3.652 . 0 0 "[ . 1 . 2]" 1
1057 1 76 CYS HB3 1 89 GLY H . . 3.710 3.073 2.418 3.747 0.037 12 0 "[ . 1 . 2]" 1
1058 1 77 ALA H 1 77 ALA MB . . 3.060 2.834 2.693 2.941 . 0 0 "[ . 1 . 2]" 1
1059 1 77 ALA H 1 78 ALA H . . 4.230 4.164 3.970 4.281 0.051 2 0 "[ . 1 . 2]" 1
1060 1 77 ALA H 1 79 GLY QA . . 5.340 4.974 4.573 5.345 0.005 2 0 "[ . 1 . 2]" 1
1061 1 77 ALA H 1 80 SER H . . 4.120 2.663 2.291 3.049 . 0 0 "[ . 1 . 2]" 1
1062 1 77 ALA H 1 80 SER HB2 . . 4.180 2.924 1.644 4.184 0.004 14 0 "[ . 1 . 2]" 1
1063 1 77 ALA H 1 80 SER QB . . 3.390 1.999 1.640 2.744 . 0 0 "[ . 1 . 2]" 1
1064 1 77 ALA H 1 80 SER HB3 . . 4.180 2.500 1.772 3.636 . 0 0 "[ . 1 . 2]" 1
1065 1 77 ALA H 1 81 CYS QB . . 5.160 4.634 3.459 5.252 0.092 6 0 "[ . 1 . 2]" 1
1066 1 77 ALA H 1 88 THR HB . . 4.140 4.015 3.500 4.241 0.101 12 0 "[ . 1 . 2]" 1
1067 1 77 ALA H 1 88 THR MG . . 4.130 3.811 3.206 4.209 0.079 11 0 "[ . 1 . 2]" 1
1068 1 77 ALA H 1 89 GLY H . . 5.170 4.964 4.344 5.227 0.057 4 0 "[ . 1 . 2]" 1
1069 1 77 ALA H 1 89 GLY HA2 . . 5.500 5.265 4.787 5.579 0.079 13 0 "[ . 1 . 2]" 1
1070 1 77 ALA HA 1 78 ALA H . . 2.680 2.236 2.074 2.745 0.065 10 0 "[ . 1 . 2]" 1
1071 1 77 ALA HA 1 78 ALA HA . . 4.890 4.389 4.266 4.459 . 0 0 "[ . 1 . 2]" 1
1072 1 77 ALA HA 1 79 GLY H . . 4.210 3.984 3.399 4.688 0.478 10 0 "[ . 1 . 2]" 1
1073 1 77 ALA HA 1 88 THR HA . . 3.740 3.325 2.715 3.725 . 0 0 "[ . 1 . 2]" 1
1074 1 77 ALA HA 1 88 THR MG . . 4.590 4.177 3.683 4.659 0.069 20 0 "[ . 1 . 2]" 1
1075 1 77 ALA MB 1 78 ALA H . . 3.180 2.782 1.888 3.203 0.023 9 0 "[ . 1 . 2]" 1
1076 1 77 ALA MB 1 80 SER H . . 5.050 4.371 3.914 5.056 0.006 4 0 "[ . 1 . 2]" 1
1077 1 77 ALA MB 1 80 SER HB2 . . 4.470 4.044 2.971 4.685 0.215 2 0 "[ . 1 . 2]" 1
1078 1 77 ALA MB 1 80 SER QB . . 3.850 3.478 2.831 3.857 0.007 2 0 "[ . 1 . 2]" 1
1079 1 77 ALA MB 1 80 SER HB3 . . 4.470 4.038 3.309 4.844 0.374 13 0 "[ . 1 . 2]" 1
1080 1 77 ALA MB 1 88 THR HB . . 4.920 4.441 4.025 4.926 0.006 8 0 "[ . 1 . 2]" 1
1081 1 77 ALA MB 1 89 GLY H . . 5.200 5.038 4.305 5.449 0.249 10 0 "[ . 1 . 2]" 1
1082 1 77 ALA MB 1 90 PRO QD . . 5.350 4.140 3.162 4.856 . 0 0 "[ . 1 . 2]" 1
1083 1 78 ALA H 1 78 ALA MB . . 3.400 2.814 2.225 2.941 . 0 0 "[ . 1 . 2]" 1
1084 1 78 ALA H 1 79 GLY H . . 4.390 3.095 2.713 4.026 . 0 0 "[ . 1 . 2]" 1
1085 1 78 ALA H 1 88 THR HB . . 3.460 2.974 2.325 3.533 0.073 10 0 "[ . 1 . 2]" 1
1086 1 78 ALA H 1 88 THR MG . . 4.620 4.212 3.680 4.701 0.081 8 0 "[ . 1 . 2]" 1
1087 1 78 ALA HA 1 79 GLY H . . 3.250 2.890 2.240 3.489 0.239 9 0 "[ . 1 . 2]" 1
1088 1 78 ALA HA 1 88 THR HB . . 4.270 3.931 2.772 4.362 0.092 15 0 "[ . 1 . 2]" 1
1089 1 78 ALA HA 1 88 THR MG . . 4.950 4.393 2.827 4.985 0.035 12 0 "[ . 1 . 2]" 1
1090 1 78 ALA MB 1 79 GLY H . . 3.830 3.333 1.982 3.725 . 0 0 "[ . 1 . 2]" 1
1091 1 78 ALA MB 1 79 GLY QA . . 4.770 3.970 3.412 4.190 . 0 0 "[ . 1 . 2]" 1
1092 1 78 ALA MB 1 80 SER H . . 5.330 4.036 3.447 4.886 . 0 0 "[ . 1 . 2]" 1
1093 1 78 ALA MB 1 80 SER QB . . 4.840 3.962 3.047 4.852 0.012 10 0 "[ . 1 . 2]" 1
1094 1 78 ALA MB 1 88 THR HB . . 4.960 4.718 4.062 5.059 0.099 4 0 "[ . 1 . 2]" 1
1095 1 79 GLY H 1 80 SER H . . 3.400 2.394 1.764 2.839 . 0 0 "[ . 1 . 2]" 1
1096 1 79 GLY H 1 88 THR HB . . 3.840 2.600 1.784 3.758 . 0 0 "[ . 1 . 2]" 1
1097 1 79 GLY H 1 88 THR MG . . 3.900 2.519 1.845 3.641 . 0 0 "[ . 1 . 2]" 1
1098 1 79 GLY QA 1 88 THR MG . . 5.040 2.014 1.848 2.854 . 0 0 "[ . 1 . 2]" 1
1099 1 80 SER H 1 80 SER HB2 . . 3.340 2.685 2.342 3.100 . 0 0 "[ . 1 . 2]" 1
1100 1 80 SER H 1 80 SER HB3 . . 3.340 2.977 2.501 3.650 0.310 13 0 "[ . 1 . 2]" 1
1101 1 80 SER H 1 81 CYS H . . 3.890 2.864 2.170 3.687 . 0 0 "[ . 1 . 2]" 1
1102 1 80 SER H 1 81 CYS HA . . 4.960 4.773 4.353 5.102 0.142 16 0 "[ . 1 . 2]" 1
1103 1 80 SER H 1 81 CYS HB2 . . 5.170 4.518 3.827 5.011 . 0 0 "[ . 1 . 2]" 1
1104 1 80 SER H 1 81 CYS QB . . 4.410 4.197 3.682 4.476 0.066 5 0 "[ . 1 . 2]" 1
1105 1 80 SER H 1 81 CYS HB3 . . 5.170 5.056 4.210 5.288 0.118 14 0 "[ . 1 . 2]" 1
1106 1 80 SER H 1 88 THR MG . . 3.140 2.623 1.796 3.168 0.028 9 0 "[ . 1 . 2]" 1
1107 1 80 SER HA 1 81 CYS H . . 3.520 2.898 2.218 3.380 . 0 0 "[ . 1 . 2]" 1
1108 1 80 SER QB 1 81 CYS H . . 3.770 3.746 3.307 3.975 0.205 6 0 "[ . 1 . 2]" 1
1109 1 80 SER QB 1 88 THR HB . . 5.340 5.109 4.634 5.544 0.204 18 0 "[ . 1 . 2]" 1
1110 1 80 SER HB2 1 81 CYS H . . 4.570 4.389 3.814 4.637 0.067 6 0 "[ . 1 . 2]" 1
1111 1 80 SER HB3 1 81 CYS H . . 4.570 4.124 3.446 4.479 . 0 0 "[ . 1 . 2]" 1
1112 1 81 CYS H 1 81 CYS HB2 . . 3.080 2.695 2.271 3.122 0.042 2 0 "[ . 1 . 2]" 1
1113 1 81 CYS H 1 81 CYS HB3 . . 3.080 2.536 2.202 3.138 0.058 13 0 "[ . 1 . 2]" 1
1114 1 81 CYS H 1 87 CYS H . . 5.500 5.628 5.310 5.806 0.306 7 0 "[ . 1 . 2]" 1
1115 1 81 CYS H 1 88 THR HA . . 5.460 4.031 3.298 4.871 . 0 0 "[ . 1 . 2]" 1
1116 1 81 CYS H 1 88 THR MG . . 3.640 2.613 2.061 3.654 0.014 2 0 "[ . 1 . 2]" 1
1117 1 81 CYS HA 1 83 CYS H . . 3.960 3.754 3.327 4.165 0.205 16 0 "[ . 1 . 2]" 1
1118 1 81 CYS HA 1 84 GLY H . . 5.480 5.207 4.523 5.617 0.137 4 0 "[ . 1 . 2]" 1
1119 1 81 CYS HA 1 87 CYS H . . 5.500 5.005 4.644 5.500 . 0 0 "[ . 1 . 2]" 1
1120 1 81 CYS HA 1 88 THR H . . 5.310 4.182 3.705 4.793 . 0 0 "[ . 1 . 2]" 1
1121 1 81 CYS HA 1 88 THR HA . . 4.830 4.243 3.343 4.872 0.042 18 0 "[ . 1 . 2]" 1
1122 1 81 CYS HA 1 88 THR MG . . 4.870 4.137 3.354 4.898 0.028 10 0 "[ . 1 . 2]" 1
1123 1 81 CYS HA 1 89 GLY H . . 5.500 5.628 5.223 6.065 0.565 18 1 "[ . 1 . + 2]" 1
1124 1 81 CYS QB 1 83 CYS H . . 4.280 3.997 3.405 4.388 0.108 7 0 "[ . 1 . 2]" 1
1125 1 81 CYS QB 1 84 GLY H . . 4.820 4.152 3.319 4.753 . 0 0 "[ . 1 . 2]" 1
1126 1 81 CYS QB 1 87 CYS H . . 4.060 2.886 2.479 3.192 . 0 0 "[ . 1 . 2]" 1
1127 1 81 CYS QB 1 88 THR MG . . 3.810 2.391 1.867 3.020 . 0 0 "[ . 1 . 2]" 1
1128 1 81 CYS QB 1 89 GLY H . . 5.340 4.438 3.550 4.947 . 0 0 "[ . 1 . 2]" 1
1129 1 81 CYS HB2 1 83 CYS H . . 5.120 4.807 4.248 5.177 0.057 9 0 "[ . 1 . 2]" 1
1130 1 81 CYS HB2 1 84 GLY H . . 5.500 5.321 4.391 5.754 0.254 17 0 "[ . 1 . 2]" 1
1131 1 81 CYS HB2 1 86 GLY H . . 4.640 3.958 3.252 4.413 . 0 0 "[ . 1 . 2]" 1
1132 1 81 CYS HB2 1 87 CYS H . . 4.630 3.138 2.617 3.504 . 0 0 "[ . 1 . 2]" 1
1133 1 81 CYS HB2 1 88 THR MG . . 4.400 2.545 1.915 3.521 . 0 0 "[ . 1 . 2]" 1
1134 1 81 CYS HB3 1 83 CYS H . . 5.120 4.317 3.570 4.978 . 0 0 "[ . 1 . 2]" 1
1135 1 81 CYS HB3 1 84 GLY H . . 5.500 4.363 3.435 5.159 . 0 0 "[ . 1 . 2]" 1
1136 1 81 CYS HB3 1 86 GLY H . . 4.640 3.357 2.436 4.241 . 0 0 "[ . 1 . 2]" 1
1137 1 81 CYS HB3 1 87 CYS H . . 4.630 3.613 2.561 4.190 . 0 0 "[ . 1 . 2]" 1
1138 1 81 CYS HB3 1 88 THR MG . . 4.400 3.020 2.395 3.887 . 0 0 "[ . 1 . 2]" 1
1139 1 82 LYS HA 1 82 LYS QD . . 3.960 3.882 2.196 4.199 0.239 14 0 "[ . 1 . 2]" 1
1140 1 82 LYS HA 1 83 CYS H . . 3.330 3.179 2.881 3.457 0.127 9 0 "[ . 1 . 2]" 1
1141 1 82 LYS QB 1 82 LYS QD . . 3.410 2.219 2.041 2.795 . 0 0 "[ . 1 . 2]" 1
1142 1 82 LYS QD 1 83 CYS H . . 5.420 4.675 3.626 5.453 0.033 8 0 "[ . 1 . 2]" 1
1143 1 82 LYS QE 1 82 LYS QG . . 3.160 2.319 2.115 2.809 . 0 0 "[ . 1 . 2]" 1
1144 1 82 LYS QE 1 101 CYS HA . . 5.020 3.704 1.948 5.047 0.027 16 0 "[ . 1 . 2]" 1
1145 1 82 LYS QG 1 83 CYS H . . 3.800 3.410 2.872 3.934 0.134 6 0 "[ . 1 . 2]" 1
1146 1 82 LYS QG 1 101 CYS H . . 5.340 4.579 3.861 5.414 0.074 6 0 "[ . 1 . 2]" 1
1147 1 82 LYS QG 1 101 CYS QB . . 5.180 3.200 2.371 4.418 . 0 0 "[ . 1 . 2]" 1
1148 1 83 CYS H 1 83 CYS HB2 . . 3.830 3.514 2.700 3.740 . 0 0 "[ . 1 . 2]" 1
1149 1 83 CYS H 1 83 CYS QB . . 3.210 2.618 2.283 3.022 . 0 0 "[ . 1 . 2]" 1
1150 1 83 CYS H 1 83 CYS HB3 . . 3.830 2.710 2.377 3.241 . 0 0 "[ . 1 . 2]" 1
1151 1 83 CYS H 1 84 GLY HA2 . . 5.050 4.595 4.134 4.847 . 0 0 "[ . 1 . 2]" 1
1152 1 83 CYS H 1 84 GLY QA . . 4.360 4.233 3.851 4.437 0.077 13 0 "[ . 1 . 2]" 1
1153 1 83 CYS H 1 84 GLY HA3 . . 5.050 4.957 4.596 5.143 0.093 13 0 "[ . 1 . 2]" 1
1154 1 83 CYS H 1 85 LYS H . . 4.260 3.744 3.202 4.168 . 0 0 "[ . 1 . 2]" 1
1155 1 83 CYS H 1 86 GLY H . . 5.070 4.353 3.876 5.099 0.029 9 0 "[ . 1 . 2]" 1
1156 1 83 CYS HA 1 100 SER HA . . 5.500 5.229 4.458 5.666 0.166 16 0 "[ . 1 . 2]" 1
1157 1 83 CYS QB 1 84 GLY H . . 4.040 3.408 2.553 3.832 . 0 0 "[ . 1 . 2]" 1
1158 1 83 CYS QB 1 85 LYS H . . 5.340 3.510 2.585 4.139 . 0 0 "[ . 1 . 2]" 1
1159 1 83 CYS QB 1 100 SER H . . 3.610 3.269 2.892 3.792 0.182 2 0 "[ . 1 . 2]" 1
1160 1 83 CYS QB 1 100 SER HA . . 5.340 4.688 4.285 5.291 . 0 0 "[ . 1 . 2]" 1
1161 1 83 CYS QB 1 101 CYS H . . 3.350 2.537 2.073 3.159 . 0 0 "[ . 1 . 2]" 1
1162 1 83 CYS QB 1 101 CYS QB . . 4.390 2.519 1.685 3.955 . 0 0 "[ . 1 . 2]" 1
1163 1 83 CYS QB 1 102 LYS H . . 5.340 4.510 3.799 5.358 0.018 19 0 "[ . 1 . 2]" 1
1164 1 83 CYS HB2 1 84 GLY H . . 4.620 3.991 3.786 4.287 . 0 0 "[ . 1 . 2]" 1
1165 1 83 CYS HB2 1 101 CYS H . . 4.070 3.454 2.082 4.193 0.123 20 0 "[ . 1 . 2]" 1
1166 1 83 CYS HB3 1 84 GLY H . . 4.620 3.822 2.586 4.383 . 0 0 "[ . 1 . 2]" 1
1167 1 83 CYS HB3 1 101 CYS H . . 4.070 2.903 2.331 4.084 0.014 6 0 "[ . 1 . 2]" 1
1168 1 84 GLY H 1 84 GLY QA . . 2.530 2.336 2.235 2.413 . 0 0 "[ . 1 . 2]" 1
1169 1 84 GLY H 1 85 LYS H . . 3.060 2.237 1.895 2.380 . 0 0 "[ . 1 . 2]" 1
1170 1 84 GLY H 1 85 LYS HB2 . . 4.930 4.391 3.984 4.713 . 0 0 "[ . 1 . 2]" 1
1171 1 84 GLY H 1 85 LYS QD . . 5.500 5.420 5.141 5.753 0.253 20 0 "[ . 1 . 2]" 1
1172 1 84 GLY H 1 85 LYS HG2 . . 4.710 4.238 3.798 4.523 . 0 0 "[ . 1 . 2]" 1
1173 1 84 GLY H 1 86 GLY H . . 3.820 3.196 2.807 3.632 . 0 0 "[ . 1 . 2]" 1
1174 1 84 GLY H 1 87 CYS H . . 5.500 5.272 4.870 5.634 0.134 18 0 "[ . 1 . 2]" 1
1175 1 84 GLY QA 1 86 GLY H . . 4.220 3.878 3.280 4.280 0.060 2 0 "[ . 1 . 2]" 1
1176 1 85 LYS H 1 85 LYS HB2 . . 2.810 2.501 2.382 2.654 . 0 0 "[ . 1 . 2]" 1
1177 1 85 LYS H 1 85 LYS HB3 . . 4.200 3.621 3.548 3.677 . 0 0 "[ . 1 . 2]" 1
1178 1 85 LYS H 1 85 LYS QD . . 4.670 3.573 3.116 4.221 . 0 0 "[ . 1 . 2]" 1
1179 1 85 LYS H 1 85 LYS QE . . 5.350 4.332 3.126 4.963 . 0 0 "[ . 1 . 2]" 1
1180 1 85 LYS H 1 85 LYS HG2 . . 3.300 2.346 1.959 2.655 . 0 0 "[ . 1 . 2]" 1
1181 1 85 LYS H 1 85 LYS HG3 . . 4.910 3.721 3.462 3.940 . 0 0 "[ . 1 . 2]" 1
1182 1 85 LYS H 1 86 GLY H . . 3.030 2.385 2.110 2.664 . 0 0 "[ . 1 . 2]" 1
1183 1 85 LYS H 1 86 GLY HA2 . . 4.950 4.632 4.378 4.901 . 0 0 "[ . 1 . 2]" 1
1184 1 85 LYS H 1 87 CYS H . . 4.670 4.354 3.852 4.734 0.064 2 0 "[ . 1 . 2]" 1
1185 1 85 LYS HA 1 85 LYS QD . . 3.210 2.058 1.886 2.423 . 0 0 "[ . 1 . 2]" 1
1186 1 85 LYS HA 1 85 LYS HG2 . . 3.220 3.092 2.876 3.211 . 0 0 "[ . 1 . 2]" 1
1187 1 85 LYS HB2 1 86 GLY H . . 3.640 2.718 2.056 3.197 . 0 0 "[ . 1 . 2]" 1
1188 1 85 LYS HB2 1 87 CYS H . . 3.270 3.078 2.745 3.328 0.058 16 0 "[ . 1 . 2]" 1
1189 1 85 LYS HB3 1 85 LYS QE . . 4.220 2.963 1.964 4.171 . 0 0 "[ . 1 . 2]" 1
1190 1 85 LYS QD 1 86 GLY H . . 5.360 4.834 4.535 5.057 . 0 0 "[ . 1 . 2]" 1
1191 1 85 LYS QE 1 85 LYS HG2 . . 3.740 2.911 2.207 3.514 . 0 0 "[ . 1 . 2]" 1
1192 1 85 LYS QE 1 86 GLY H . . 5.500 5.495 4.818 5.932 0.432 2 0 "[ . 1 . 2]" 1
1193 1 85 LYS HG2 1 86 GLY H . . 4.770 4.230 3.696 4.525 . 0 0 "[ . 1 . 2]" 1
1194 1 85 LYS HG2 1 87 CYS H . . 5.500 5.408 5.193 5.623 0.123 16 0 "[ . 1 . 2]" 1
1195 1 85 LYS HG3 1 86 GLY H . . 5.390 4.955 4.303 5.336 . 0 0 "[ . 1 . 2]" 1
1196 1 85 LYS HG3 1 87 CYS H . . 5.460 5.340 4.917 5.557 0.097 16 0 "[ . 1 . 2]" 1
1197 1 86 GLY H 1 86 GLY HA2 . . 2.850 2.318 2.295 2.389 . 0 0 "[ . 1 . 2]" 1
1198 1 86 GLY H 1 87 CYS H . . 2.900 2.547 2.362 2.767 . 0 0 "[ . 1 . 2]" 1
1199 1 86 GLY HA2 1 87 CYS H . . 3.280 2.774 2.576 2.954 . 0 0 "[ . 1 . 2]" 1
1200 1 86 GLY HA2 1 88 THR H . . 4.090 3.798 3.390 4.116 0.026 11 0 "[ . 1 . 2]" 1
1201 1 87 CYS H 1 87 CYS HB2 . . 3.740 3.112 2.533 3.642 . 0 0 "[ . 1 . 2]" 1
1202 1 87 CYS H 1 87 CYS QB . . 3.070 2.687 2.482 2.920 . 0 0 "[ . 1 . 2]" 1
1203 1 87 CYS H 1 87 CYS HB3 . . 3.740 3.249 2.674 3.617 . 0 0 "[ . 1 . 2]" 1
1204 1 87 CYS H 1 88 THR H . . 4.280 2.423 2.093 2.833 . 0 0 "[ . 1 . 2]" 1
1205 1 87 CYS H 1 88 THR MG . . 4.800 3.655 3.357 3.952 . 0 0 "[ . 1 . 2]" 1
1206 1 87 CYS H 1 89 GLY H . . 5.270 4.804 4.429 5.188 . 0 0 "[ . 1 . 2]" 1
1207 1 87 CYS HA 1 88 THR MG . . 4.760 4.276 4.027 4.514 . 0 0 "[ . 1 . 2]" 1
1208 1 87 CYS HA 1 89 GLY H . . 5.110 4.733 4.168 5.156 0.046 7 0 "[ . 1 . 2]" 1
1209 1 87 CYS HA 1 92 SER QB . . 4.140 3.185 2.547 3.883 . 0 0 "[ . 1 . 2]" 1
1210 1 87 CYS QB 1 88 THR H . . 3.580 2.842 2.104 3.401 . 0 0 "[ . 1 . 2]" 1
1211 1 87 CYS QB 1 89 GLY H . . 3.770 3.071 2.580 3.628 . 0 0 "[ . 1 . 2]" 1
1212 1 87 CYS QB 1 92 SER H . . 4.550 3.968 3.420 4.677 0.127 16 0 "[ . 1 . 2]" 1
1213 1 87 CYS QB 1 93 CYS H . . 3.800 3.351 2.816 3.900 0.100 16 0 "[ . 1 . 2]" 1
1214 1 87 CYS QB 1 93 CYS HA . . 3.340 2.205 1.925 2.567 . 0 0 "[ . 1 . 2]" 1
1215 1 87 CYS QB 1 93 CYS QB . . 4.510 2.996 1.943 4.059 . 0 0 "[ . 1 . 2]" 1
1216 1 87 CYS QB 1 94 LYS H . . 3.730 3.647 2.848 4.017 0.287 10 0 "[ . 1 . 2]" 1
1217 1 87 CYS HB2 1 88 THR H . . 4.100 2.974 2.121 3.725 . 0 0 "[ . 1 . 2]" 1
1218 1 87 CYS HB2 1 93 CYS HA . . 3.880 2.792 2.126 3.893 0.013 16 0 "[ . 1 . 2]" 1
1219 1 87 CYS HB3 1 88 THR H . . 4.100 3.817 3.489 4.055 . 0 0 "[ . 1 . 2]" 1
1220 1 87 CYS HB3 1 93 CYS HA . . 3.880 2.413 1.956 2.940 . 0 0 "[ . 1 . 2]" 1
1221 1 88 THR H 1 88 THR MG . . 3.510 2.584 2.509 2.649 . 0 0 "[ . 1 . 2]" 1
1222 1 88 THR H 1 89 GLY H . . 3.120 2.862 2.732 3.042 . 0 0 "[ . 1 . 2]" 1
1223 1 88 THR H 1 92 SER QB . . 5.340 4.890 4.298 5.451 0.111 18 0 "[ . 1 . 2]" 1
1224 1 88 THR HA 1 88 THR MG . . 3.290 2.346 2.279 2.397 . 0 0 "[ . 1 . 2]" 1
1225 1 88 THR HA 1 89 GLY H . . 3.120 2.709 2.502 2.903 . 0 0 "[ . 1 . 2]" 1
1226 1 88 THR MG 1 89 GLY H . . 4.450 4.332 4.283 4.414 . 0 0 "[ . 1 . 2]" 1
1227 1 89 GLY H 1 89 GLY HA2 . . 2.840 2.664 2.508 2.742 . 0 0 "[ . 1 . 2]" 1
1228 1 89 GLY H 1 92 SER H . . 5.170 4.622 4.443 5.016 . 0 0 "[ . 1 . 2]" 1
1229 1 89 GLY H 1 92 SER QB . . 5.320 4.184 3.558 4.927 . 0 0 "[ . 1 . 2]" 1
1230 1 89 GLY H 1 93 CYS H . . 5.470 4.897 4.166 5.520 0.050 18 0 "[ . 1 . 2]" 1
1231 1 89 GLY HA2 1 90 PRO HA . . 4.460 4.383 4.329 4.412 . 0 0 "[ . 1 . 2]" 1
1232 1 89 GLY HA2 1 90 PRO HG2 . . 4.590 4.469 4.307 4.731 0.141 16 0 "[ . 1 . 2]" 1
1233 1 89 GLY HA2 1 92 SER H . . 5.500 4.728 4.485 5.105 . 0 0 "[ . 1 . 2]" 1
1234 1 89 GLY HA3 1 90 PRO HD2 . . 3.810 2.806 2.395 3.077 . 0 0 "[ . 1 . 2]" 1
1235 1 89 GLY HA3 1 90 PRO HD3 . . 3.810 3.642 3.267 3.836 0.026 20 0 "[ . 1 . 2]" 1
1236 1 89 GLY HA3 1 90 PRO HG2 . . 5.040 4.755 4.411 5.035 . 0 0 "[ . 1 . 2]" 1
1237 1 89 GLY HA3 1 91 ASP H . . 3.650 3.435 3.060 3.697 0.047 13 0 "[ . 1 . 2]" 1
1238 1 90 PRO HA 1 93 CYS QB . . 3.400 2.427 1.856 3.554 0.154 20 0 "[ . 1 . 2]" 1
1239 1 90 PRO QB 1 91 ASP H . . 3.610 3.314 2.939 3.672 0.062 18 0 "[ . 1 . 2]" 1
1240 1 90 PRO QB 1 92 SER H . . 5.070 4.829 4.620 5.127 0.057 15 0 "[ . 1 . 2]" 1
1241 1 90 PRO QD 1 91 ASP H . . 3.300 2.737 2.320 2.955 . 0 0 "[ . 1 . 2]" 1
1242 1 90 PRO HD2 1 91 ASP H . . 3.980 2.795 2.347 3.035 . 0 0 "[ . 1 . 2]" 1
1243 1 90 PRO HD3 1 91 ASP H . . 3.980 3.924 3.639 4.075 0.095 12 0 "[ . 1 . 2]" 1
1244 1 90 PRO HG2 1 91 ASP H . . 3.780 2.660 2.356 3.130 . 0 0 "[ . 1 . 2]" 1
1245 1 90 PRO HG2 1 92 SER H . . 5.190 5.015 4.624 5.244 0.054 6 0 "[ . 1 . 2]" 1
1246 1 90 PRO HG3 1 91 ASP H . . 5.390 4.109 3.826 4.480 . 0 0 "[ . 1 . 2]" 1
1247 1 91 ASP H 1 91 ASP HA . . 2.920 2.865 2.796 2.927 0.007 20 0 "[ . 1 . 2]" 1
1248 1 91 ASP H 1 91 ASP HB2 . . 3.590 2.672 2.372 3.601 0.011 6 0 "[ . 1 . 2]" 1
1249 1 91 ASP H 1 91 ASP QB . . 2.890 2.427 2.263 2.591 . 0 0 "[ . 1 . 2]" 1
1250 1 91 ASP H 1 91 ASP HB3 . . 3.590 3.292 2.432 3.648 0.058 20 0 "[ . 1 . 2]" 1
1251 1 91 ASP H 1 92 SER H . . 3.250 2.452 2.199 2.770 . 0 0 "[ . 1 . 2]" 1
1252 1 91 ASP H 1 92 SER QB . . 5.340 4.502 3.976 4.888 . 0 0 "[ . 1 . 2]" 1
1253 1 91 ASP H 1 93 CYS H . . 4.050 3.823 3.552 4.073 0.023 5 0 "[ . 1 . 2]" 1
1254 1 91 ASP H 1 93 CYS QB . . 5.160 4.588 4.029 5.171 0.011 20 0 "[ . 1 . 2]" 1
1255 1 91 ASP HA 1 92 SER H . . 3.540 3.422 3.278 3.535 . 0 0 "[ . 1 . 2]" 1
1256 1 91 ASP QB 1 92 SER H . . 3.500 3.056 2.459 3.649 0.149 10 0 "[ . 1 . 2]" 1
1257 1 91 ASP HB2 1 92 SER H . . 4.140 3.346 2.498 4.190 0.050 19 0 "[ . 1 . 2]" 1
1258 1 91 ASP HB3 1 92 SER H . . 4.140 3.836 3.124 4.190 0.050 5 0 "[ . 1 . 2]" 1
1259 1 92 SER H 1 92 SER HB2 . . 3.940 2.706 2.514 3.142 . 0 0 "[ . 1 . 2]" 1
1260 1 92 SER H 1 92 SER QB . . 3.310 2.523 2.360 2.644 . 0 0 "[ . 1 . 2]" 1
1261 1 92 SER H 1 92 SER HB3 . . 3.940 3.389 2.481 3.805 . 0 0 "[ . 1 . 2]" 1
1262 1 92 SER H 1 93 CYS H . . 2.830 2.180 1.974 2.357 . 0 0 "[ . 1 . 2]" 1
1263 1 92 SER H 1 93 CYS HA . . 4.620 4.563 4.300 4.800 0.180 13 0 "[ . 1 . 2]" 1
1264 1 92 SER H 1 93 CYS QB . . 4.080 3.806 3.440 4.177 0.097 19 0 "[ . 1 . 2]" 1
1265 1 92 SER HA 1 93 CYS H . . 3.560 3.233 3.009 3.516 . 0 0 "[ . 1 . 2]" 1
1266 1 92 SER HA 1 93 CYS HA . . 5.000 4.695 4.544 4.851 . 0 0 "[ . 1 . 2]" 1
1267 1 92 SER QB 1 93 CYS H . . 4.000 3.375 2.655 3.735 . 0 0 "[ . 1 . 2]" 1
1268 1 92 SER HB2 1 93 CYS H . . 4.600 3.755 2.705 4.531 . 0 0 "[ . 1 . 2]" 1
1269 1 92 SER HB3 1 93 CYS H . . 4.600 4.093 3.222 4.481 . 0 0 "[ . 1 . 2]" 1
1270 1 93 CYS H 1 93 CYS QB . . 2.730 2.283 2.036 2.724 . 0 0 "[ . 1 . 2]" 1
1271 1 93 CYS H 1 94 LYS H . . 4.700 4.418 4.117 4.607 . 0 0 "[ . 1 . 2]" 1
1272 1 93 CYS H 1 94 LYS QG . . 5.060 4.755 4.357 5.324 0.264 17 0 "[ . 1 . 2]" 1
1273 1 93 CYS HA 1 94 LYS H . . 2.820 2.173 2.065 2.311 . 0 0 "[ . 1 . 2]" 1
1274 1 93 CYS HA 1 94 LYS HA . . 4.810 4.417 4.349 4.486 . 0 0 "[ . 1 . 2]" 1
1275 1 93 CYS QB 1 94 LYS H . . 3.970 3.421 2.498 3.993 0.023 6 0 "[ . 1 . 2]" 1
1276 1 93 CYS QB 1 95 CYS H . . 3.890 3.224 2.475 4.075 0.185 16 0 "[ . 1 . 2]" 1
1277 1 94 LYS H 1 94 LYS QB . . 3.090 2.604 2.331 3.110 0.020 7 0 "[ . 1 . 2]" 1
1278 1 94 LYS H 1 94 LYS QE . . 4.520 4.169 2.754 4.719 0.199 14 0 "[ . 1 . 2]" 1
1279 1 94 LYS H 1 94 LYS QG . . 3.330 2.950 2.075 3.576 0.246 18 0 "[ . 1 . 2]" 1
1280 1 94 LYS H 1 95 CYS H . . 2.890 2.547 1.980 3.188 0.298 5 0 "[ . 1 . 2]" 1
1281 1 94 LYS H 1 95 CYS QB . . 5.030 4.161 3.422 4.627 . 0 0 "[ . 1 . 2]" 1
1282 1 94 LYS HA 1 94 LYS QG . . 3.780 2.532 2.262 3.307 . 0 0 "[ . 1 . 2]" 1
1283 1 94 LYS HA 1 95 CYS H . . 3.410 2.870 2.555 3.102 . 0 0 "[ . 1 . 2]" 1
1284 1 94 LYS QB 1 95 CYS H . . 3.930 3.762 3.459 3.976 0.046 7 0 "[ . 1 . 2]" 1
1285 1 94 LYS HB2 1 95 CYS H . . 4.600 4.089 3.645 4.433 . 0 0 "[ . 1 . 2]" 1
1286 1 94 LYS HB3 1 95 CYS H . . 4.600 4.415 4.303 4.594 . 0 0 "[ . 1 . 2]" 1
1287 1 94 LYS QG 1 95 CYS H . . 4.640 4.477 3.946 4.725 0.085 17 0 "[ . 1 . 2]" 1
1288 1 95 CYS H 1 95 CYS HB2 . . 3.900 3.144 2.537 3.817 . 0 0 "[ . 1 . 2]" 1
1289 1 95 CYS H 1 95 CYS QB . . 3.280 2.789 2.490 3.316 0.036 3 0 "[ . 1 . 2]" 1
1290 1 95 CYS H 1 95 CYS HB3 . . 3.900 3.457 2.866 3.795 . 0 0 "[ . 1 . 2]" 1
1291 1 95 CYS H 1 96 ASP H . . 4.760 4.445 4.307 4.568 . 0 0 "[ . 1 . 2]" 1
1292 1 95 CYS HA 1 96 ASP H . . 2.880 2.528 2.309 2.808 . 0 0 "[ . 1 . 2]" 1
1293 1 95 CYS QB 1 96 ASP H . . 2.780 2.212 1.800 2.537 . 0 0 "[ . 1 . 2]" 1
1294 1 95 CYS QB 1 99 CYS H . . 5.340 4.545 4.117 5.319 . 0 0 "[ . 1 . 2]" 1
1295 1 95 CYS QB 1 99 CYS QB . . 4.130 2.491 2.194 3.391 . 0 0 "[ . 1 . 2]" 1
1296 1 96 ASP H 1 96 ASP QB . . 3.120 2.693 2.335 2.970 . 0 0 "[ . 1 . 2]" 1
1297 1 96 ASP H 1 97 ARG H . . 4.670 4.462 4.319 4.551 . 0 0 "[ . 1 . 2]" 1
1298 1 96 ASP H 1 97 ARG HA . . 5.500 5.367 5.155 5.612 0.112 2 0 "[ . 1 . 2]" 1
1299 1 96 ASP H 1 98 SER H . . 5.280 4.406 4.164 4.838 . 0 0 "[ . 1 . 2]" 1
1300 1 96 ASP H 1 99 CYS H . . 4.890 4.409 3.848 4.957 0.067 12 0 "[ . 1 . 2]" 1
1301 1 96 ASP H 1 99 CYS QB . . 3.880 2.793 2.202 3.498 . 0 0 "[ . 1 . 2]" 1
1302 1 96 ASP HA 1 97 ARG H . . 3.240 2.515 2.265 2.827 . 0 0 "[ . 1 . 2]" 1
1303 1 96 ASP HA 1 98 SER H . . 4.460 4.088 3.880 4.366 . 0 0 "[ . 1 . 2]" 1
1304 1 96 ASP QB 1 97 ARG H . . 2.820 2.147 1.896 2.722 . 0 0 "[ . 1 . 2]" 1
1305 1 96 ASP QB 1 97 ARG QG . . 4.470 3.572 3.133 4.402 . 0 0 "[ . 1 . 2]" 1
1306 1 96 ASP QB 1 98 SER H . . 3.350 2.720 1.977 3.105 . 0 0 "[ . 1 . 2]" 1
1307 1 96 ASP HB2 1 97 ARG H . . 3.470 2.307 1.915 3.658 0.188 14 0 "[ . 1 . 2]" 1
1308 1 96 ASP HB3 1 97 ARG H . . 3.470 3.386 1.933 3.659 0.189 13 0 "[ . 1 . 2]" 1
1309 1 97 ARG H 1 97 ARG QB . . 3.060 2.665 2.527 2.836 . 0 0 "[ . 1 . 2]" 1
1310 1 97 ARG H 1 97 ARG QD . . 4.420 3.890 3.491 4.253 . 0 0 "[ . 1 . 2]" 1
1311 1 97 ARG H 1 97 ARG HG2 . . 3.340 2.645 1.791 3.422 0.082 8 0 "[ . 1 . 2]" 1
1312 1 97 ARG H 1 97 ARG QG . . 2.900 2.077 1.780 2.462 . 0 0 "[ . 1 . 2]" 1
1313 1 97 ARG H 1 97 ARG HG3 . . 3.340 2.521 2.021 3.370 0.030 6 0 "[ . 1 . 2]" 1
1314 1 97 ARG H 1 98 SER H . . 3.320 2.510 2.081 2.750 . 0 0 "[ . 1 . 2]" 1
1315 1 97 ARG HA 1 97 ARG QG . . 3.360 2.903 2.470 3.344 . 0 0 "[ . 1 . 2]" 1
1316 1 97 ARG HA 1 99 CYS H . . 4.180 3.543 3.215 3.860 . 0 0 "[ . 1 . 2]" 1
1317 1 97 ARG HA 1 102 LYS H . . 5.500 5.373 4.744 5.717 0.217 10 0 "[ . 1 . 2]" 1
1318 1 97 ARG HA 1 102 LYS QD . . 3.970 3.122 1.859 4.022 0.052 19 0 "[ . 1 . 2]" 1
1319 1 97 ARG HA 1 102 LYS QG . . 3.050 2.122 1.752 3.010 . 0 0 "[ . 1 . 2]" 1
1320 1 97 ARG QB 1 97 ARG QD . . 3.470 2.260 1.994 2.613 . 0 0 "[ . 1 . 2]" 1
1321 1 97 ARG QB 1 98 SER H . . 4.080 3.588 3.222 3.983 . 0 0 "[ . 1 . 2]" 1
1322 1 97 ARG QB 1 98 SER HA . . 4.870 4.287 4.024 4.621 . 0 0 "[ . 1 . 2]" 1
1323 1 97 ARG QB 1 98 SER QB . . 4.430 4.394 3.818 4.894 0.464 2 0 "[ . 1 . 2]" 1
1324 1 97 ARG QB 1 99 CYS H . . 5.360 4.737 4.588 5.018 . 0 0 "[ . 1 . 2]" 1
1325 1 97 ARG QG 1 98 SER H . . 4.000 3.630 2.638 4.270 0.270 7 0 "[ . 1 . 2]" 1
1326 1 98 SER H 1 98 SER HB2 . . 4.040 2.797 2.346 3.715 . 0 0 "[ . 1 . 2]" 1
1327 1 98 SER H 1 98 SER QB . . 3.190 2.506 2.269 3.037 . 0 0 "[ . 1 . 2]" 1
1328 1 98 SER H 1 98 SER HB3 . . 4.040 3.140 2.572 3.837 . 0 0 "[ . 1 . 2]" 1
1329 1 98 SER H 1 99 CYS H . . 3.040 2.362 2.035 2.701 . 0 0 "[ . 1 . 2]" 1
1330 1 98 SER H 1 99 CYS HA . . 4.520 4.382 4.098 4.580 0.060 7 0 "[ . 1 . 2]" 1
1331 1 98 SER H 1 99 CYS QB . . 4.020 3.720 3.378 4.016 . 0 0 "[ . 1 . 2]" 1
1332 1 98 SER QB 1 99 CYS H . . 4.180 3.711 3.520 4.050 . 0 0 "[ . 1 . 2]" 1
1333 1 98 SER HB2 1 99 CYS H . . 4.760 4.234 3.714 4.528 . 0 0 "[ . 1 . 2]" 1
1334 1 98 SER HB3 1 99 CYS H . . 4.760 4.194 3.766 4.637 . 0 0 "[ . 1 . 2]" 1
1335 1 99 CYS H 1 99 CYS HB2 . . 3.050 2.547 2.212 3.504 0.454 20 0 "[ . 1 . 2]" 1
1336 1 99 CYS H 1 99 CYS QB . . 2.610 2.279 2.145 2.453 . 0 0 "[ . 1 . 2]" 1
1337 1 99 CYS H 1 99 CYS HB3 . . 3.050 2.689 2.453 2.949 . 0 0 "[ . 1 . 2]" 1
1338 1 99 CYS H 1 100 SER H . . 4.690 4.517 4.443 4.591 . 0 0 "[ . 1 . 2]" 1
1339 1 99 CYS H 1 101 CYS H . . 4.980 4.774 4.261 5.060 0.080 6 0 "[ . 1 . 2]" 1
1340 1 99 CYS H 1 102 LYS QB . . 4.520 3.077 1.890 4.709 0.189 13 0 "[ . 1 . 2]" 1
1341 1 99 CYS H 1 102 LYS HG2 . . 4.530 4.153 3.474 4.709 0.179 18 0 "[ . 1 . 2]" 1
1342 1 99 CYS H 1 102 LYS QG . . 3.710 3.451 2.930 3.820 0.110 2 0 "[ . 1 . 2]" 1
1343 1 99 CYS H 1 102 LYS HG3 . . 4.530 3.915 2.963 5.194 0.664 8 1 "[ . + 1 . 2]" 1
1344 1 99 CYS HA 1 100 SER H . . 2.800 2.568 2.359 2.745 . 0 0 "[ . 1 . 2]" 1
1345 1 99 CYS HA 1 101 CYS H . . 4.620 4.396 3.858 4.691 0.071 10 0 "[ . 1 . 2]" 1
1346 1 99 CYS HA 1 102 LYS H . . 4.780 4.776 4.554 4.899 0.119 7 0 "[ . 1 . 2]" 1
1347 1 99 CYS QB 1 100 SER QB . . 4.450 4.378 3.800 4.541 0.091 12 0 "[ . 1 . 2]" 1
1348 1 99 CYS QB 1 101 CYS H . . 4.340 2.740 2.339 3.257 . 0 0 "[ . 1 . 2]" 1
1349 1 99 CYS QB 1 102 LYS H . . 4.020 2.940 2.046 4.055 0.035 20 0 "[ . 1 . 2]" 1
1350 1 99 CYS QB 1 102 LYS QG . . 4.690 3.915 2.961 4.770 0.080 10 0 "[ . 1 . 2]" 1
1351 1 99 CYS HB2 1 102 LYS H . . 4.750 4.400 3.788 4.854 0.104 7 0 "[ . 1 . 2]" 1
1352 1 99 CYS HB3 1 102 LYS H . . 4.750 3.053 2.055 4.808 0.058 20 0 "[ . 1 . 2]" 1
1353 1 100 SER H 1 100 SER QB . . 2.920 2.390 2.210 2.528 . 0 0 "[ . 1 . 2]" 1
1354 1 100 SER H 1 101 CYS H . . 3.130 2.672 2.543 2.895 . 0 0 "[ . 1 . 2]" 1
1355 1 100 SER H 1 102 LYS H . . 4.690 4.189 3.840 4.719 0.029 20 0 "[ . 1 . 2]" 1
1356 1 100 SER HA 1 101 CYS HA . . 5.500 4.670 4.461 4.801 . 0 0 "[ . 1 . 2]" 1
1357 1 100 SER HA 1 102 LYS H . . 4.640 4.369 3.718 4.887 0.247 13 0 "[ . 1 . 2]" 1
1358 1 100 SER QB 1 101 CYS H . . 3.720 2.920 2.653 3.649 . 0 0 "[ . 1 . 2]" 1
1359 1 100 SER QB 1 102 LYS H . . 5.340 4.808 4.606 5.364 0.024 20 0 "[ . 1 . 2]" 1
1360 1 101 CYS H 1 101 CYS HB2 . . 3.710 3.519 2.630 3.726 0.016 10 0 "[ . 1 . 2]" 1
1361 1 101 CYS H 1 101 CYS HB3 . . 3.710 2.796 2.255 3.547 . 0 0 "[ . 1 . 2]" 1
1362 1 101 CYS H 1 102 LYS H . . 2.980 2.355 2.038 2.534 . 0 0 "[ . 1 . 2]" 1
1363 1 101 CYS H 1 102 LYS HA . . 5.270 4.965 4.263 5.186 . 0 0 "[ . 1 . 2]" 1
1364 1 101 CYS H 1 102 LYS QB . . 4.640 4.335 3.901 4.773 0.133 8 0 "[ . 1 . 2]" 1
1365 1 101 CYS QB 1 102 LYS H . . 4.470 3.347 2.733 3.686 . 0 0 "[ . 1 . 2]" 1
1366 1 101 CYS HB2 1 102 LYS H . . 5.160 3.681 3.030 4.094 . 0 0 "[ . 1 . 2]" 1
1367 1 101 CYS HB3 1 102 LYS H . . 5.160 3.941 2.776 4.358 . 0 0 "[ . 1 . 2]" 1
1368 1 102 LYS H 1 102 LYS HB2 . . 3.740 2.545 2.132 3.546 . 0 0 "[ . 1 . 2]" 1
1369 1 102 LYS H 1 102 LYS QB . . 2.910 2.367 2.088 3.048 0.138 13 0 "[ . 1 . 2]" 1
1370 1 102 LYS H 1 102 LYS HB3 . . 3.740 3.270 2.341 3.652 . 0 0 "[ . 1 . 2]" 1
1371 1 102 LYS H 1 102 LYS QE . . 5.340 4.802 3.944 5.808 0.468 16 0 "[ . 1 . 2]" 1
1372 1 102 LYS H 1 102 LYS QG . . 3.600 3.189 2.394 4.002 0.402 8 0 "[ . 1 . 2]" 1
1373 1 102 LYS HA 1 102 LYS HD2 . . 4.070 3.505 1.966 4.337 0.267 4 0 "[ . 1 . 2]" 1
1374 1 102 LYS HA 1 102 LYS QD . . 3.570 2.790 1.955 3.653 0.083 13 0 "[ . 1 . 2]" 1
1375 1 102 LYS HA 1 102 LYS HD3 . . 4.070 3.321 2.132 4.364 0.294 2 0 "[ . 1 . 2]" 1
1376 1 102 LYS QD 1 102 LYS QG . . 2.360 2.033 1.911 2.097 . 0 0 "[ . 1 . 2]" 1
1377 1 102 LYS QE 1 102 LYS QG . . 3.210 2.479 2.115 2.899 . 0 0 "[ . 1 . 2]" 1
stop_
save_
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