NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
536383 |
2lgv   |
17824 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgv
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 1270
_Distance_constraint_stats_list.Viol_count 3716
_Distance_constraint_stats_list.Viol_total 7596.698
_Distance_constraint_stats_list.Viol_max 0.610
_Distance_constraint_stats_list.Viol_rms 0.0477
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.1022
_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 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.029 0.018 18 0 "[ . 1 . 2]"
1 22 SER 0.029 0.018 18 0 "[ . 1 . 2]"
1 27 TRP 0.646 0.230 2 0 "[ . 1 . 2]"
1 28 ASP 0.643 0.199 2 0 "[ . 1 . 2]"
1 29 ILE 4.766 0.412 14 0 "[ . 1 . 2]"
1 30 VAL 4.777 0.412 14 0 "[ . 1 . 2]"
1 31 VAL 3.247 0.345 19 0 "[ . 1 . 2]"
1 32 ASP 9.643 0.610 11 2 "[- . 1+ . 2]"
1 33 ASN 2.927 0.204 18 0 "[ . 1 . 2]"
1 34 CYS 13.206 0.347 13 0 "[ . 1 . 2]"
1 35 ALA 12.875 0.336 2 0 "[ . 1 . 2]"
1 36 ILE 17.463 0.269 11 0 "[ . 1 . 2]"
1 37 CYS 6.268 0.214 9 0 "[ . 1 . 2]"
1 38 ARG 9.686 0.336 2 0 "[ . 1 . 2]"
1 39 ASN 19.513 0.327 6 0 "[ . 1 . 2]"
1 40 HIS 7.889 0.347 13 0 "[ . 1 . 2]"
1 41 ILE 23.918 0.610 11 2 "[- . 1+ . 2]"
1 42 MET 8.693 0.415 15 0 "[ . 1 . 2]"
1 43 ASP 2.215 0.216 19 0 "[ . 1 . 2]"
1 44 LEU 14.518 0.333 20 0 "[ . 1 . 2]"
1 45 CYS 3.611 0.278 8 0 "[ . 1 . 2]"
1 46 ILE 23.117 0.583 7 2 "[ . + 1- . 2]"
1 47 GLU 18.205 0.492 13 0 "[ . 1 . 2]"
1 48 CYS 18.268 0.583 7 2 "[ . + 1- . 2]"
1 49 GLN 13.311 0.281 17 0 "[ . 1 . 2]"
1 50 ALA 9.022 0.240 5 0 "[ . 1 . 2]"
1 51 ASN 13.453 0.492 6 0 "[ . 1 . 2]"
1 52 GLN 1.636 0.492 6 0 "[ . 1 . 2]"
1 53 ALA 0.744 0.284 18 0 "[ . 1 . 2]"
1 54 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 4.401 0.246 8 0 "[ . 1 . 2]"
1 57 SER 8.379 0.333 20 0 "[ . 1 . 2]"
1 58 GLU 3.474 0.246 8 0 "[ . 1 . 2]"
1 59 GLU 8.544 0.382 8 0 "[ . 1 . 2]"
1 60 CYS 13.039 0.382 8 0 "[ . 1 . 2]"
1 61 THR 0.780 0.105 4 0 "[ . 1 . 2]"
1 62 VAL 9.124 0.290 8 0 "[ . 1 . 2]"
1 63 ALA 5.587 0.240 5 0 "[ . 1 . 2]"
1 64 TRP 11.070 0.208 14 0 "[ . 1 . 2]"
1 65 GLY 13.215 0.206 18 0 "[ . 1 . 2]"
1 66 VAL 7.122 0.208 14 0 "[ . 1 . 2]"
1 67 CYS 4.663 0.208 7 0 "[ . 1 . 2]"
1 68 ASN 9.802 0.468 11 0 "[ . 1 . 2]"
1 69 HIS 12.712 0.400 16 0 "[ . 1 . 2]"
1 70 ALA 0.863 0.138 18 0 "[ . 1 . 2]"
1 71 PHE 25.425 0.345 19 0 "[ . 1 . 2]"
1 72 HIS 23.897 0.288 20 0 "[ . 1 . 2]"
1 73 PHE 6.783 0.290 8 0 "[ . 1 . 2]"
1 74 HIS 10.484 0.332 8 0 "[ . 1 . 2]"
1 75 CYS 14.594 0.294 16 0 "[ . 1 . 2]"
1 76 ILE 14.245 0.212 17 0 "[ . 1 . 2]"
1 77 SER 9.074 0.469 6 0 "[ . 1 . 2]"
1 78 ARG 9.145 0.469 6 0 "[ . 1 . 2]"
1 79 TRP 29.723 0.272 18 0 "[ . 1 . 2]"
1 80 LEU 20.480 0.401 8 0 "[ . 1 . 2]"
1 81 LYS 5.123 0.251 13 0 "[ . 1 . 2]"
1 82 THR 4.080 0.189 6 0 "[ . 1 . 2]"
1 83 ARG 12.782 0.506 10 2 "[ . +- . 2]"
1 84 GLN 8.476 0.506 10 2 "[ . +- . 2]"
1 85 VAL 15.066 0.318 19 0 "[ . 1 . 2]"
1 86 CYS 16.736 0.431 19 0 "[ . 1 . 2]"
1 87 PRO 9.285 0.327 13 0 "[ . 1 . 2]"
1 88 LEU 16.361 0.464 13 0 "[ . 1 . 2]"
1 89 ASP 14.242 0.400 16 0 "[ . 1 . 2]"
1 90 ASN 9.037 0.464 13 0 "[ . 1 . 2]"
1 91 ARG 14.139 0.592 10 2 "[ . + . -]"
1 92 GLU 4.608 0.592 10 2 "[ . + . -]"
1 93 TRP 29.770 0.401 8 0 "[ . 1 . 2]"
1 94 GLU 1.285 0.152 16 0 "[ . 1 . 2]"
1 95 PHE 5.711 0.147 4 0 "[ . 1 . 2]"
1 96 GLN 6.095 0.191 3 0 "[ . 1 . 2]"
1 97 LYS 1.204 0.186 7 0 "[ . 1 . 2]"
1 98 TYR 0.840 0.240 5 0 "[ . 1 . 2]"
1 99 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 HIS 4.057 0.363 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 ALA H 1 71 PHE HD1 3.740 . 3.740 2.334 1.990 2.762 . 0 0 "[ . 1 . 2]" 1
2 1 34 CYS HA 1 35 ALA H 2.760 . 2.760 2.176 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
3 1 34 CYS HB3 1 35 ALA H 4.640 . 4.640 4.157 4.077 4.290 . 0 0 "[ . 1 . 2]" 1
4 1 35 ALA H 1 35 ALA MB 2.790 . 2.790 2.280 2.226 2.329 . 0 0 "[ . 1 . 2]" 1
5 1 79 TRP HE1 1 80 LEU MD2 3.610 . 3.610 3.581 3.493 3.647 0.037 17 0 "[ . 1 . 2]" 1
6 1 79 TRP HE1 1 87 PRO HD3 3.900 . 3.900 2.478 2.249 2.796 . 0 0 "[ . 1 . 2]" 1
7 1 73 PHE H 1 74 HIS H 3.580 . 3.580 2.634 2.582 2.704 . 0 0 "[ . 1 . 2]" 1
8 1 72 HIS HA 1 73 PHE H 2.840 . 2.840 2.186 2.157 2.230 . 0 0 "[ . 1 . 2]" 1
9 1 62 VAL HA 1 73 PHE H 2.950 . 2.950 1.841 1.652 2.060 . 0 0 "[ . 1 . 2]" 1
10 1 72 HIS HB3 1 73 PHE H 4.760 . 4.760 3.095 3.017 3.187 . 0 0 "[ . 1 . 2]" 1
11 1 73 PHE H 1 73 PHE HB2 3.090 . 3.090 2.598 2.502 2.691 . 0 0 "[ . 1 . 2]" 1
12 1 73 PHE H 1 73 PHE HB3 3.120 . 3.120 2.497 2.384 2.571 . 0 0 "[ . 1 . 2]" 1
13 1 63 ALA MB 1 73 PHE H 3.940 . 3.940 3.615 3.458 3.730 . 0 0 "[ . 1 . 2]" 1
14 1 63 ALA H 1 73 PHE H 3.730 . 3.730 3.033 2.960 3.130 . 0 0 "[ . 1 . 2]" 1
15 1 63 ALA H 1 72 HIS HA 3.570 . 3.570 3.194 3.117 3.270 . 0 0 "[ . 1 . 2]" 1
16 1 62 VAL HA 1 63 ALA H 2.660 . 2.660 2.215 2.164 2.265 . 0 0 "[ . 1 . 2]" 1
17 1 63 ALA H 1 63 ALA MB 3.110 . 3.110 2.564 2.498 2.657 . 0 0 "[ . 1 . 2]" 1
18 1 62 VAL MG1 1 63 ALA H 3.970 . 3.970 3.678 3.510 3.832 . 0 0 "[ . 1 . 2]" 1
19 1 62 VAL MG2 1 63 ALA H 3.140 . 3.140 2.289 2.161 2.430 . 0 0 "[ . 1 . 2]" 1
20 1 59 GLU H 1 60 CYS H 3.610 . 3.610 3.859 3.626 3.992 0.382 8 0 "[ . 1 . 2]" 1
21 1 57 SER HA 1 60 CYS H 4.450 . 4.450 4.538 4.452 4.642 0.192 18 0 "[ . 1 . 2]" 1
22 1 59 GLU HA 1 60 CYS H 2.570 . 2.570 2.176 2.109 2.240 . 0 0 "[ . 1 . 2]" 1
23 1 60 CYS H 1 60 CYS HB2 3.010 . 3.010 2.633 2.495 2.777 . 0 0 "[ . 1 . 2]" 1
24 1 60 CYS H 1 60 CYS HB3 3.150 . 3.150 2.512 2.396 2.678 . 0 0 "[ . 1 . 2]" 1
25 1 59 GLU HB3 1 60 CYS H 4.310 . 4.310 4.307 4.208 4.424 0.114 14 0 "[ . 1 . 2]" 1
26 1 44 LEU MD2 1 60 CYS H 3.800 . 3.800 3.537 3.245 3.852 0.052 6 0 "[ . 1 . 2]" 1
27 1 66 VAL H 1 94 GLU H 3.850 . 3.850 3.725 3.611 3.877 0.027 14 0 "[ . 1 . 2]" 1
28 1 93 TRP HA 1 94 GLU H 2.730 . 2.730 2.166 2.121 2.239 . 0 0 "[ . 1 . 2]" 1
29 1 67 CYS HB3 1 94 GLU H 4.230 . 4.230 4.115 3.348 4.382 0.152 16 0 "[ . 1 . 2]" 1
30 1 93 TRP HB3 1 94 GLU H 4.510 . 4.510 4.295 4.193 4.399 . 0 0 "[ . 1 . 2]" 1
31 1 94 GLU H 1 94 GLU QB 3.190 . 3.190 2.568 2.494 2.648 . 0 0 "[ . 1 . 2]" 1
32 1 85 VAL HA 1 93 TRP H 3.070 . 3.070 2.320 2.085 2.608 . 0 0 "[ . 1 . 2]" 1
33 1 92 GLU HA 1 93 TRP H 2.720 . 2.720 2.152 2.050 2.229 . 0 0 "[ . 1 . 2]" 1
34 1 29 ILE HA 1 30 VAL H 3.180 . 3.180 2.719 2.038 3.328 0.148 15 0 "[ . 1 . 2]" 1
35 1 93 TRP H 1 93 TRP HB2 3.060 . 3.060 2.890 2.803 2.969 . 0 0 "[ . 1 . 2]" 1
36 1 92 GLU QG 1 93 TRP H 3.710 . 3.710 3.045 2.698 3.933 0.223 19 0 "[ . 1 . 2]" 1
37 1 92 GLU QB 1 93 TRP H 4.180 . 4.180 3.680 3.017 3.909 . 0 0 "[ . 1 . 2]" 1
38 1 29 ILE HB 1 30 VAL H 4.550 . 4.550 3.584 2.154 4.454 . 0 0 "[ . 1 . 2]" 1
39 1 80 LEU MD2 1 93 TRP H 3.440 . 3.440 3.690 3.554 3.841 0.401 8 0 "[ . 1 . 2]" 1
40 1 40 HIS H 1 41 ILE H 4.720 . 4.720 4.665 4.571 4.723 0.003 17 0 "[ . 1 . 2]" 1
41 1 33 ASN HA 1 41 ILE H 3.140 . 3.140 2.523 2.142 2.720 . 0 0 "[ . 1 . 2]" 1
42 1 40 HIS HA 1 41 ILE H 2.890 . 2.890 2.363 2.223 2.551 . 0 0 "[ . 1 . 2]" 1
43 1 40 HIS HB2 1 41 ILE H 3.980 . 3.980 4.014 3.883 4.115 0.135 9 0 "[ . 1 . 2]" 1
44 1 40 HIS HB3 1 41 ILE H 3.950 . 3.950 3.607 3.128 3.938 . 0 0 "[ . 1 . 2]" 1
45 1 41 ILE H 1 41 ILE HB 3.040 . 3.040 2.525 2.363 2.650 . 0 0 "[ . 1 . 2]" 1
46 1 41 ILE H 1 41 ILE HG13 4.490 . 4.490 4.437 4.357 4.499 0.009 13 0 "[ . 1 . 2]" 1
47 1 41 ILE H 1 41 ILE MG 3.130 . 3.130 2.140 1.958 2.386 . 0 0 "[ . 1 . 2]" 1
48 1 86 CYS H 1 93 TRP H 3.920 . 3.920 3.493 3.229 3.710 . 0 0 "[ . 1 . 2]" 1
49 1 86 CYS H 1 89 ASP H 4.720 . 4.720 4.740 4.548 4.853 0.133 18 0 "[ . 1 . 2]" 1
50 1 85 VAL HA 1 86 CYS H 2.780 . 2.780 2.294 2.236 2.376 . 0 0 "[ . 1 . 2]" 1
51 1 86 CYS H 1 92 GLU HA 4.370 . 4.370 3.714 3.396 4.174 . 0 0 "[ . 1 . 2]" 1
52 1 86 CYS H 1 86 CYS HB2 2.920 . 2.920 2.434 2.316 2.655 . 0 0 "[ . 1 . 2]" 1
53 1 86 CYS H 1 86 CYS HB3 3.590 . 3.590 3.569 3.521 3.621 0.031 6 0 "[ . 1 . 2]" 1
54 1 85 VAL HB 1 86 CYS H 2.860 . 2.860 2.597 2.518 2.669 . 0 0 "[ . 1 . 2]" 1
55 1 85 VAL MG2 1 86 CYS H 3.760 . 3.760 3.697 3.597 3.788 0.028 9 0 "[ . 1 . 2]" 1
56 1 85 VAL MG1 1 86 CYS H 3.660 . 3.660 3.573 3.505 3.622 . 0 0 "[ . 1 . 2]" 1
57 1 47 GLU H 1 48 CYS H 3.020 . 3.020 2.324 2.057 2.463 . 0 0 "[ . 1 . 2]" 1
58 1 61 THR HA 1 62 VAL H 3.220 . 3.220 2.295 2.219 2.378 . 0 0 "[ . 1 . 2]" 1
59 1 61 THR HB 1 62 VAL H 3.290 . 3.290 3.026 2.606 3.377 0.087 14 0 "[ . 1 . 2]" 1
60 1 48 CYS H 1 48 CYS QB 2.850 . 2.850 2.460 2.409 2.517 . 0 0 "[ . 1 . 2]" 1
61 1 47 GLU QB 1 48 CYS H 3.420 . 3.420 2.802 2.583 3.072 . 0 0 "[ . 1 . 2]" 1
62 1 62 VAL H 1 62 VAL HB 3.330 . 3.330 3.201 3.065 3.349 0.019 19 0 "[ . 1 . 2]" 1
63 1 48 CYS H 1 50 ALA MB 5.160 . 5.160 4.978 4.687 5.260 0.100 18 0 "[ . 1 . 2]" 1
64 1 61 THR MG 1 62 VAL H 3.830 . 3.830 3.658 3.170 3.902 0.072 20 0 "[ . 1 . 2]" 1
65 1 62 VAL H 1 62 VAL MG1 3.410 . 3.410 2.392 2.268 2.516 . 0 0 "[ . 1 . 2]" 1
66 1 62 VAL H 1 62 VAL MG2 4.200 . 4.200 3.985 3.942 4.034 . 0 0 "[ . 1 . 2]" 1
67 1 34 CYS H 1 41 ILE H 3.990 . 3.990 3.825 3.540 4.110 0.120 16 0 "[ . 1 . 2]" 1
68 1 30 VAL HA 1 31 VAL H 2.950 . 2.950 2.213 2.132 2.305 . 0 0 "[ . 1 . 2]" 1
69 1 33 ASN HA 1 34 CYS H 3.140 . 3.140 2.188 2.108 2.343 . 0 0 "[ . 1 . 2]" 1
70 1 34 CYS H 1 40 HIS HA 3.760 . 3.760 3.364 2.868 3.577 . 0 0 "[ . 1 . 2]" 1
71 1 34 CYS H 1 34 CYS HB2 3.230 . 3.230 2.475 2.377 2.561 . 0 0 "[ . 1 . 2]" 1
72 1 31 VAL H 1 31 VAL HB 3.670 . 3.670 3.269 2.586 3.732 0.062 6 0 "[ . 1 . 2]" 1
73 1 33 ASN HB2 1 34 CYS H 4.150 . 4.150 3.726 2.400 4.210 0.060 18 0 "[ . 1 . 2]" 1
74 1 34 CYS H 1 34 CYS HB3 3.500 . 3.500 2.560 2.487 2.624 . 0 0 "[ . 1 . 2]" 1
75 1 31 VAL H 1 31 VAL MG2 2.860 . 2.860 1.979 1.784 2.206 . 0 0 "[ . 1 . 2]" 1
76 1 79 TRP H 1 80 LEU H 3.080 . 3.080 2.639 2.597 2.690 . 0 0 "[ . 1 . 2]" 1
77 1 77 SER H 1 79 TRP H 3.920 . 3.920 3.963 3.898 4.048 0.128 8 0 "[ . 1 . 2]" 1
78 1 78 ARG H 1 79 TRP H 3.010 . 3.010 2.583 2.498 2.666 . 0 0 "[ . 1 . 2]" 1
79 1 76 ILE HA 1 79 TRP H 3.470 . 3.470 3.123 2.936 3.280 . 0 0 "[ . 1 . 2]" 1
80 1 79 TRP H 1 79 TRP HB2 2.830 . 2.830 2.564 2.498 2.640 . 0 0 "[ . 1 . 2]" 1
81 1 79 TRP H 1 79 TRP HB3 2.940 . 2.940 2.362 2.322 2.420 . 0 0 "[ . 1 . 2]" 1
82 1 78 ARG HB2 1 79 TRP H 4.130 . 4.130 2.727 2.345 3.879 . 0 0 "[ . 1 . 2]" 1
83 1 78 ARG HG3 1 79 TRP H 4.730 . 4.730 4.520 2.936 4.960 0.230 7 0 "[ . 1 . 2]" 1
84 1 36 ILE MD 1 79 TRP H 4.100 . 4.100 3.610 3.309 3.858 . 0 0 "[ . 1 . 2]" 1
85 1 76 ILE MD 1 79 TRP H 4.670 . 4.670 4.275 4.091 4.443 . 0 0 "[ . 1 . 2]" 1
86 1 100 HIS H 1 100 HIS HE1 3.800 . 3.800 3.998 3.857 4.163 0.363 8 0 "[ . 1 . 2]" 1
87 1 99 GLY QA 1 100 HIS H 3.290 . 3.290 2.245 2.083 2.825 . 0 0 "[ . 1 . 2]" 1
88 1 46 ILE HA 1 47 GLU H 3.480 . 3.480 3.486 3.450 3.522 0.042 17 0 "[ . 1 . 2]" 1
89 1 100 HIS H 1 100 HIS HB2 3.810 . 3.810 3.630 2.522 3.846 0.036 18 0 "[ . 1 . 2]" 1
90 1 100 HIS H 1 100 HIS HB3 3.520 . 3.520 3.119 2.702 3.576 0.056 19 0 "[ . 1 . 2]" 1
91 1 47 GLU H 1 48 CYS QB 5.010 . 5.010 4.465 4.150 4.655 . 0 0 "[ . 1 . 2]" 1
92 1 47 GLU H 1 47 GLU HG2 3.480 . 3.480 2.996 1.971 3.496 0.016 3 0 "[ . 1 . 2]" 1
93 1 47 GLU H 1 47 GLU HG3 3.740 . 3.740 2.417 1.925 3.651 . 0 0 "[ . 1 . 2]" 1
94 1 47 GLU H 1 47 GLU QB 2.960 . 2.960 2.421 2.292 2.549 . 0 0 "[ . 1 . 2]" 1
95 1 46 ILE HB 1 47 GLU H 3.670 . 3.670 2.423 2.073 3.392 . 0 0 "[ . 1 . 2]" 1
96 1 46 ILE HG12 1 47 GLU H 3.400 . 3.400 2.867 2.324 3.036 . 0 0 "[ . 1 . 2]" 1
97 1 46 ILE HG13 1 47 GLU H 3.750 . 3.750 1.546 1.491 1.672 . 0 0 "[ . 1 . 2]" 1
98 1 46 ILE MG 1 47 GLU H 3.550 . 3.550 3.659 3.543 3.786 0.236 7 0 "[ . 1 . 2]" 1
99 1 96 GLN H 1 97 LYS H 4.460 . 4.460 2.625 2.364 4.147 . 0 0 "[ . 1 . 2]" 1
100 1 39 ASN HA 1 40 HIS H 2.770 . 2.770 2.577 2.311 2.796 0.026 2 0 "[ . 1 . 2]" 1
101 1 95 PHE HA 1 96 GLN H 2.650 . 2.650 2.134 2.097 2.186 . 0 0 "[ . 1 . 2]" 1
102 1 39 ASN HB2 1 40 HIS H 3.650 . 3.650 3.724 3.488 3.871 0.221 13 0 "[ . 1 . 2]" 1
103 1 95 PHE QB 1 96 GLN H 3.680 . 3.680 3.268 2.999 3.453 . 0 0 "[ . 1 . 2]" 1
104 1 65 GLY HA3 1 96 GLN H 5.500 . 5.500 4.276 4.091 4.679 . 0 0 "[ . 1 . 2]" 1
105 1 95 PHE HB3 1 96 GLN H 5.500 . 5.500 3.389 3.085 3.611 . 0 0 "[ . 1 . 2]" 1
106 1 40 HIS H 1 40 HIS HB2 2.870 . 2.870 2.445 2.256 2.649 . 0 0 "[ . 1 . 2]" 1
107 1 40 HIS H 1 40 HIS HB3 2.890 . 2.890 2.711 2.557 2.911 0.021 18 0 "[ . 1 . 2]" 1
108 1 96 GLN H 1 96 GLN QG 4.200 . 4.200 4.011 3.931 4.082 . 0 0 "[ . 1 . 2]" 1
109 1 96 GLN H 1 96 GLN HB2 3.230 . 3.230 2.610 2.499 2.798 . 0 0 "[ . 1 . 2]" 1
110 1 96 GLN H 1 96 GLN HB3 3.150 . 3.150 2.481 2.365 2.645 . 0 0 "[ . 1 . 2]" 1
111 1 66 VAL QG 1 96 GLN H 3.810 . 3.810 2.987 2.737 3.334 . 0 0 "[ . 1 . 2]" 1
112 1 95 PHE H 1 95 PHE HD2 3.590 . 3.590 2.726 2.530 2.877 . 0 0 "[ . 1 . 2]" 1
113 1 91 ARG HA 1 92 GLU H 2.950 . 2.950 2.372 2.293 2.445 . 0 0 "[ . 1 . 2]" 1
114 1 94 GLU HA 1 95 PHE H 2.560 . 2.560 2.212 2.161 2.275 . 0 0 "[ . 1 . 2]" 1
115 1 95 PHE H 1 95 PHE QB 3.350 . 3.350 2.351 2.298 2.409 . 0 0 "[ . 1 . 2]" 1
116 1 92 GLU H 1 92 GLU HG2 4.990 . 4.990 4.377 3.381 4.662 . 0 0 "[ . 1 . 2]" 1
117 1 92 GLU H 1 92 GLU HG3 5.370 . 5.370 4.207 2.175 4.565 . 0 0 "[ . 1 . 2]" 1
118 1 92 GLU H 1 92 GLU QB 3.100 . 3.100 2.320 2.165 2.517 . 0 0 "[ . 1 . 2]" 1
119 1 91 ARG HB3 1 92 GLU H 3.230 . 3.230 2.943 2.528 3.822 0.592 10 2 "[ . + . -]" 1
120 1 94 GLU QG 1 95 PHE H 4.380 . 4.380 4.029 3.818 4.446 0.066 7 0 "[ . 1 . 2]" 1
121 1 91 ARG QG 1 92 GLU H 4.240 . 4.240 3.771 2.179 4.505 0.265 6 0 "[ . 1 . 2]" 1
122 1 94 GLU QB 1 95 PHE H 3.460 . 3.460 2.966 2.792 3.238 . 0 0 "[ . 1 . 2]" 1
123 1 66 VAL H 1 96 GLN H 3.840 . 3.840 3.145 2.768 3.650 . 0 0 "[ . 1 . 2]" 1
124 1 65 GLY HA2 1 66 VAL H 3.370 . 3.370 2.179 2.151 2.209 . 0 0 "[ . 1 . 2]" 1
125 1 31 VAL HA 1 32 ASP H 3.370 . 3.370 3.101 2.286 3.479 0.109 8 0 "[ . 1 . 2]" 1
126 1 65 GLY HA3 1 66 VAL H 3.330 . 3.330 3.050 2.992 3.113 . 0 0 "[ . 1 . 2]" 1
127 1 66 VAL H 1 66 VAL HB 3.410 . 3.410 2.580 2.462 2.669 . 0 0 "[ . 1 . 2]" 1
128 1 58 GLU H 1 58 GLU HG2 4.770 . 4.770 4.443 3.738 4.581 . 0 0 "[ . 1 . 2]" 1
129 1 58 GLU H 1 58 GLU HG3 5.040 . 5.040 4.359 3.140 4.480 . 0 0 "[ . 1 . 2]" 1
130 1 58 GLU H 1 58 GLU HB3 3.790 . 3.790 2.586 2.410 3.469 . 0 0 "[ . 1 . 2]" 1
131 1 66 VAL H 1 94 GLU QB 4.000 . 4.000 3.179 2.972 3.508 . 0 0 "[ . 1 . 2]" 1
132 1 66 VAL H 1 66 VAL QG 2.780 . 2.780 2.008 1.941 2.086 . 0 0 "[ . 1 . 2]" 1
133 1 69 HIS HD2 1 70 ALA H 3.940 . 3.940 3.458 3.188 3.806 . 0 0 "[ . 1 . 2]" 1
134 1 69 HIS HA 1 70 ALA H 2.770 . 2.770 2.409 2.318 2.474 . 0 0 "[ . 1 . 2]" 1
135 1 69 HIS HB2 1 70 ALA H 3.910 . 3.910 3.901 3.780 3.975 0.065 19 0 "[ . 1 . 2]" 1
136 1 69 HIS HB3 1 70 ALA H 3.440 . 3.440 2.530 2.349 2.656 . 0 0 "[ . 1 . 2]" 1
137 1 32 ASP H 1 32 ASP QB 3.380 . 3.380 2.627 2.187 3.319 . 0 0 "[ . 1 . 2]" 1
138 1 31 VAL MG1 1 70 ALA H 3.970 . 3.970 2.082 1.755 2.476 . 0 0 "[ . 1 . 2]" 1
139 1 30 VAL HB 1 32 ASP H 3.860 . 3.860 3.654 3.097 4.096 0.236 6 0 "[ . 1 . 2]" 1
140 1 31 VAL MG2 1 32 ASP H 4.240 . 4.240 3.592 2.971 4.268 0.028 17 0 "[ . 1 . 2]" 1
141 1 70 ALA H 1 70 ALA MB 3.270 . 3.270 2.574 2.498 2.626 . 0 0 "[ . 1 . 2]" 1
142 1 81 LYS H 1 83 ARG H 3.730 . 3.730 3.808 3.749 3.895 0.165 12 0 "[ . 1 . 2]" 1
143 1 80 LEU HA 1 83 ARG H 3.050 . 3.050 2.722 2.534 2.896 . 0 0 "[ . 1 . 2]" 1
144 1 82 THR HB 1 83 ARG H 4.340 . 4.340 4.255 3.984 4.476 0.136 19 0 "[ . 1 . 2]" 1
145 1 83 ARG H 1 83 ARG HB2 3.860 . 3.860 2.747 2.658 2.880 . 0 0 "[ . 1 . 2]" 1
146 1 82 THR MG 1 83 ARG H 4.160 . 4.160 3.423 2.533 4.208 0.048 14 0 "[ . 1 . 2]" 1
147 1 83 ARG H 1 83 ARG QG 3.690 . 3.690 3.053 2.909 3.271 . 0 0 "[ . 1 . 2]" 1
148 1 83 ARG H 1 83 ARG HB3 3.710 . 3.710 3.800 3.751 3.844 0.134 9 0 "[ . 1 . 2]" 1
149 1 72 HIS HA 1 74 HIS H 3.930 . 3.930 3.971 3.940 3.991 0.061 1 0 "[ . 1 . 2]" 1
150 1 72 HIS HB2 1 74 HIS H 4.060 . 4.060 4.129 4.098 4.179 0.119 2 0 "[ . 1 . 2]" 1
151 1 72 HIS HB3 1 74 HIS H 4.140 . 4.140 2.678 2.585 2.746 . 0 0 "[ . 1 . 2]" 1
152 1 74 HIS H 1 74 HIS HB2 3.430 . 3.430 2.515 2.286 2.656 . 0 0 "[ . 1 . 2]" 1
153 1 74 HIS H 1 74 HIS HB3 3.580 . 3.580 2.459 2.317 2.610 . 0 0 "[ . 1 . 2]" 1
154 1 73 PHE HB2 1 74 HIS H 4.240 . 4.240 3.900 3.774 4.037 . 0 0 "[ . 1 . 2]" 1
155 1 73 PHE HB3 1 74 HIS H 3.600 . 3.600 2.636 2.454 2.909 . 0 0 "[ . 1 . 2]" 1
156 1 64 TRP H 1 64 TRP HD1 4.000 . 4.000 3.557 3.398 3.752 . 0 0 "[ . 1 . 2]" 1
157 1 63 ALA HA 1 64 TRP H 2.760 . 2.760 2.179 2.090 2.292 . 0 0 "[ . 1 . 2]" 1
158 1 64 TRP H 1 64 TRP HB3 3.730 . 3.730 3.603 3.565 3.634 . 0 0 "[ . 1 . 2]" 1
159 1 64 TRP H 1 64 TRP HB2 3.400 . 3.400 2.575 2.506 2.648 . 0 0 "[ . 1 . 2]" 1
160 1 63 ALA MB 1 64 TRP H 3.540 . 3.540 2.852 2.680 2.946 . 0 0 "[ . 1 . 2]" 1
161 1 38 ARG H 1 39 ASN H 3.210 . 3.210 2.485 2.231 2.759 . 0 0 "[ . 1 . 2]" 1
162 1 38 ARG HA 1 39 ASN H 3.510 . 3.510 2.557 2.311 2.934 . 0 0 "[ . 1 . 2]" 1
163 1 37 CYS HB2 1 39 ASN H 4.080 . 4.080 4.049 3.527 4.251 0.171 7 0 "[ . 1 . 2]" 1
164 1 39 ASN H 1 39 ASN HB3 3.340 . 3.340 3.061 2.437 3.616 0.276 10 0 "[ . 1 . 2]" 1
165 1 34 CYS HB3 1 39 ASN H 4.620 . 4.620 2.456 2.349 2.577 . 0 0 "[ . 1 . 2]" 1
166 1 38 ARG HB3 1 39 ASN H 4.920 . 4.920 4.346 4.025 4.479 . 0 0 "[ . 1 . 2]" 1
167 1 97 LYS HA 1 98 TYR H 3.570 . 3.570 2.383 2.099 3.465 . 0 0 "[ . 1 . 2]" 1
168 1 45 CYS H 1 49 GLN H 4.110 . 4.110 3.872 3.664 4.140 0.030 15 0 "[ . 1 . 2]" 1
169 1 29 ILE H 1 30 VAL H 4.340 . 4.340 3.384 2.191 4.513 0.173 1 0 "[ . 1 . 2]" 1
170 1 44 LEU HA 1 45 CYS H 2.550 . 2.550 2.251 2.175 2.317 . 0 0 "[ . 1 . 2]" 1
171 1 28 ASP HA 1 29 ILE H 3.580 . 3.580 2.291 2.040 3.299 . 0 0 "[ . 1 . 2]" 1
172 1 41 ILE HA 1 43 ASP H 5.120 . 5.120 4.636 3.696 5.274 0.154 12 0 "[ . 1 . 2]" 1
173 1 45 CYS H 1 45 CYS HB2 3.480 . 3.480 2.637 2.565 2.728 . 0 0 "[ . 1 . 2]" 1
174 1 43 ASP H 1 43 ASP QB 3.330 . 3.330 2.737 2.177 2.930 . 0 0 "[ . 1 . 2]" 1
175 1 45 CYS H 1 48 CYS HB2 3.610 . 3.610 1.910 1.757 2.069 . 0 0 "[ . 1 . 2]" 1
176 1 45 CYS H 1 48 CYS HB3 3.770 . 3.770 2.940 2.671 3.176 . 0 0 "[ . 1 . 2]" 1
177 1 45 CYS H 1 45 CYS HB3 3.620 . 3.620 3.603 3.566 3.646 0.026 14 0 "[ . 1 . 2]" 1
178 1 44 LEU HG 1 45 CYS H 5.140 . 5.140 4.884 4.790 4.974 . 0 0 "[ . 1 . 2]" 1
179 1 28 ASP QB 1 29 ILE H 3.620 . 3.620 3.296 2.276 3.819 0.199 2 0 "[ . 1 . 2]" 1
180 1 29 ILE H 1 29 ILE HB 3.920 . 3.920 3.665 2.414 3.836 . 0 0 "[ . 1 . 2]" 1
181 1 44 LEU HB2 1 45 CYS H 4.640 . 4.640 4.065 3.931 4.195 . 0 0 "[ . 1 . 2]" 1
182 1 44 LEU HB3 1 45 CYS H 3.620 . 3.620 2.967 2.758 3.177 . 0 0 "[ . 1 . 2]" 1
183 1 29 ILE H 1 29 ILE HG12 3.580 . 3.580 2.213 1.990 3.229 . 0 0 "[ . 1 . 2]" 1
184 1 29 ILE H 1 29 ILE HG13 3.470 . 3.470 3.024 2.824 3.726 0.256 17 0 "[ . 1 . 2]" 1
185 1 44 LEU MD2 1 45 CYS H 3.400 . 3.400 3.327 3.167 3.444 0.044 15 0 "[ . 1 . 2]" 1
186 1 29 ILE H 1 29 ILE MG 3.730 . 3.730 2.685 2.269 3.745 0.015 14 0 "[ . 1 . 2]" 1
187 1 75 CYS HA 1 78 ARG H 3.670 . 3.670 3.513 3.329 3.687 0.017 18 0 "[ . 1 . 2]" 1
188 1 77 SER HB2 1 78 ARG H 3.470 . 3.470 2.882 2.266 3.683 0.213 19 0 "[ . 1 . 2]" 1
189 1 77 SER HB3 1 78 ARG H 4.130 . 4.130 3.214 2.314 3.672 . 0 0 "[ . 1 . 2]" 1
190 1 78 ARG H 1 78 ARG HD3 4.910 . 4.910 4.331 3.441 4.900 . 0 0 "[ . 1 . 2]" 1
191 1 78 ARG H 1 78 ARG HB2 2.760 . 2.760 2.432 2.293 2.543 . 0 0 "[ . 1 . 2]" 1
192 1 78 ARG H 1 78 ARG HG2 3.720 . 3.720 2.804 2.162 3.974 0.254 10 0 "[ . 1 . 2]" 1
193 1 78 ARG H 1 78 ARG HG3 3.700 . 3.700 3.430 2.287 4.043 0.343 6 0 "[ . 1 . 2]" 1
194 1 90 ASN H 1 91 ARG H 3.190 . 3.190 2.594 2.450 2.709 . 0 0 "[ . 1 . 2]" 1
195 1 90 ASN HA 1 91 ARG H 3.330 . 3.330 2.782 2.629 2.874 . 0 0 "[ . 1 . 2]" 1
196 1 86 CYS HB2 1 91 ARG H 3.260 . 3.260 2.180 2.118 2.271 . 0 0 "[ . 1 . 2]" 1
197 1 86 CYS HB3 1 91 ARG H 3.860 . 3.860 3.919 3.819 4.019 0.159 5 0 "[ . 1 . 2]" 1
198 1 87 PRO HD2 1 88 LEU H 3.940 . 3.940 2.517 2.306 2.739 . 0 0 "[ . 1 . 2]" 1
199 1 89 ASP HB3 1 91 ARG H 3.720 . 3.720 2.761 2.113 3.454 . 0 0 "[ . 1 . 2]" 1
200 1 91 ARG H 1 91 ARG HB2 2.830 . 2.830 2.609 2.442 2.883 0.053 10 0 "[ . 1 . 2]" 1
201 1 91 ARG H 1 91 ARG QG 3.180 . 3.180 2.956 2.395 3.643 0.463 13 0 "[ . 1 . 2]" 1
202 1 88 LEU H 1 88 LEU HG 3.320 . 3.320 2.426 2.167 2.599 . 0 0 "[ . 1 . 2]" 1
203 1 85 VAL MG1 1 91 ARG H 4.010 . 4.010 3.905 3.732 4.118 0.108 13 0 "[ . 1 . 2]" 1
204 1 88 LEU H 1 88 LEU HB2 3.570 . 3.570 2.591 2.531 2.678 . 0 0 "[ . 1 . 2]" 1
205 1 88 LEU H 1 88 LEU MD2 3.730 . 3.730 3.275 2.958 3.444 . 0 0 "[ . 1 . 2]" 1
206 1 88 LEU H 1 88 LEU MD1 4.020 . 4.020 3.785 3.647 3.891 . 0 0 "[ . 1 . 2]" 1
207 1 72 HIS H 1 76 ILE H 3.850 . 3.850 3.976 3.947 4.032 0.182 14 0 "[ . 1 . 2]" 1
208 1 43 ASP HA 1 44 LEU H 3.030 . 3.030 2.711 2.475 2.878 . 0 0 "[ . 1 . 2]" 1
209 1 71 PHE HA 1 72 HIS H 3.330 . 3.330 2.510 2.485 2.544 . 0 0 "[ . 1 . 2]" 1
210 1 72 HIS HB2 1 76 ILE H 4.230 . 4.230 3.658 3.610 3.711 . 0 0 "[ . 1 . 2]" 1
211 1 73 PHE HA 1 76 ILE H 4.600 . 4.600 3.555 3.443 3.637 . 0 0 "[ . 1 . 2]" 1
212 1 72 HIS H 1 72 HIS HB2 3.590 . 3.590 2.222 2.202 2.257 . 0 0 "[ . 1 . 2]" 1
213 1 72 HIS HB3 1 76 ILE H 4.010 . 4.010 4.084 4.001 4.171 0.161 5 0 "[ . 1 . 2]" 1
214 1 71 PHE HB2 1 76 ILE H 4.250 . 4.250 4.153 4.067 4.270 0.020 3 0 "[ . 1 . 2]" 1
215 1 72 HIS H 1 72 HIS HB3 3.820 . 3.820 3.494 3.473 3.512 . 0 0 "[ . 1 . 2]" 1
216 1 71 PHE HB2 1 72 HIS H 3.560 . 3.560 3.492 3.392 3.560 . 14 0 "[ . 1 . 2]" 1
217 1 43 ASP QB 1 44 LEU H 3.720 . 3.720 2.793 2.456 3.077 . 0 0 "[ . 1 . 2]" 1
218 1 72 HIS H 1 75 CYS HB2 3.910 . 3.910 3.005 2.917 3.080 . 0 0 "[ . 1 . 2]" 1
219 1 75 CYS HB2 1 76 ILE H 3.200 . 3.200 2.583 2.526 2.671 . 0 0 "[ . 1 . 2]" 1
220 1 75 CYS HB3 1 76 ILE H 3.940 . 3.940 3.684 3.621 3.755 . 0 0 "[ . 1 . 2]" 1
221 1 44 LEU H 1 44 LEU HG 2.980 . 2.980 2.503 2.428 2.606 . 0 0 "[ . 1 . 2]" 1
222 1 71 PHE HB3 1 76 ILE H 3.730 . 3.730 3.678 3.618 3.740 0.010 3 0 "[ . 1 . 2]" 1
223 1 44 LEU H 1 44 LEU HB2 2.860 . 2.860 2.276 2.217 2.333 . 0 0 "[ . 1 . 2]" 1
224 1 44 LEU H 1 44 LEU HB3 3.680 . 3.680 3.515 3.477 3.543 . 0 0 "[ . 1 . 2]" 1
225 1 44 LEU H 1 44 LEU MD2 3.910 . 3.910 3.685 3.611 3.747 . 0 0 "[ . 1 . 2]" 1
226 1 44 LEU H 1 44 LEU MD1 3.930 . 3.930 3.471 3.381 3.585 . 0 0 "[ . 1 . 2]" 1
227 1 76 ILE H 1 76 ILE HB 2.720 . 2.720 2.559 2.530 2.589 . 0 0 "[ . 1 . 2]" 1
228 1 76 ILE H 1 76 ILE MG 3.070 . 3.070 2.215 2.181 2.275 . 0 0 "[ . 1 . 2]" 1
229 1 36 ILE MD 1 76 ILE H 3.730 . 3.730 2.942 2.888 3.034 . 0 0 "[ . 1 . 2]" 1
230 1 76 ILE H 1 76 ILE MD 4.160 . 4.160 4.072 4.048 4.103 . 0 0 "[ . 1 . 2]" 1
231 1 58 GLU H 1 59 GLU H 3.110 . 3.110 2.504 2.403 2.617 . 0 0 "[ . 1 . 2]" 1
232 1 76 ILE H 1 77 SER H 3.080 . 3.080 2.646 2.609 2.671 . 0 0 "[ . 1 . 2]" 1
233 1 77 SER H 1 78 ARG H 3.070 . 3.070 2.737 2.677 2.828 . 0 0 "[ . 1 . 2]" 1
234 1 56 THR HA 1 59 GLU H 4.750 . 4.750 4.371 4.030 4.684 . 0 0 "[ . 1 . 2]" 1
235 1 57 SER HA 1 59 GLU H 5.040 . 5.040 3.752 3.539 3.928 . 0 0 "[ . 1 . 2]" 1
236 1 73 PHE HA 1 77 SER H 3.590 . 3.590 3.677 3.614 3.766 0.176 6 0 "[ . 1 . 2]" 1
237 1 77 SER H 1 77 SER HB2 3.020 . 3.020 2.488 2.313 2.568 . 0 0 "[ . 1 . 2]" 1
238 1 77 SER H 1 77 SER HB3 3.570 . 3.570 3.321 2.537 3.654 0.084 18 0 "[ . 1 . 2]" 1
239 1 59 GLU H 1 59 GLU HG2 3.420 . 3.420 2.563 2.371 2.721 . 0 0 "[ . 1 . 2]" 1
240 1 59 GLU H 1 59 GLU HG3 3.710 . 3.710 3.011 2.864 3.142 . 0 0 "[ . 1 . 2]" 1
241 1 58 GLU QB 1 59 GLU H 2.840 . 2.840 2.471 2.320 2.623 . 0 0 "[ . 1 . 2]" 1
242 1 76 ILE MG 1 77 SER H 2.780 . 2.780 2.254 2.216 2.333 . 0 0 "[ . 1 . 2]" 1
243 1 48 CYS H 1 50 ALA H 4.630 . 4.630 4.290 4.047 4.424 . 0 0 "[ . 1 . 2]" 1
244 1 49 GLN H 1 50 ALA H 3.130 . 3.130 2.751 2.589 2.857 . 0 0 "[ . 1 . 2]" 1
245 1 50 ALA H 1 51 ASN H 2.850 . 2.850 2.457 2.223 2.703 . 0 0 "[ . 1 . 2]" 1
246 1 50 ALA H 1 51 ASN HA 5.200 . 5.200 5.114 4.880 5.252 0.052 13 0 "[ . 1 . 2]" 1
247 1 50 ALA H 1 50 ALA HA 2.910 . 2.910 2.867 2.835 2.913 0.003 18 0 "[ . 1 . 2]" 1
248 1 47 GLU HA 1 50 ALA H 3.410 . 3.410 3.504 3.281 3.590 0.180 5 0 "[ . 1 . 2]" 1
249 1 49 GLN HG2 1 50 ALA H 4.010 . 4.010 3.568 2.668 4.146 0.136 15 0 "[ . 1 . 2]" 1
250 1 49 GLN HG3 1 50 ALA H 3.850 . 3.850 2.452 1.906 2.900 . 0 0 "[ . 1 . 2]" 1
251 1 49 GLN HB2 1 50 ALA H 3.490 . 3.490 3.582 3.526 3.679 0.189 8 0 "[ . 1 . 2]" 1
252 1 50 ALA H 1 50 ALA MB 2.480 . 2.480 2.257 2.223 2.283 . 0 0 "[ . 1 . 2]" 1
253 1 48 CYS H 1 49 GLN H 3.340 . 3.340 2.839 2.703 2.996 . 0 0 "[ . 1 . 2]" 1
254 1 49 GLN H 1 51 ASN H 4.210 . 4.210 3.987 3.868 4.295 0.085 13 0 "[ . 1 . 2]" 1
255 1 47 GLU HA 1 49 GLN H 4.770 . 4.770 4.335 4.077 4.576 . 0 0 "[ . 1 . 2]" 1
256 1 35 ALA HA 1 38 ARG H 3.940 . 3.940 3.343 3.045 3.560 . 0 0 "[ . 1 . 2]" 1
257 1 49 GLN H 1 49 GLN HA 2.800 . 2.800 2.790 2.756 2.816 0.016 5 0 "[ . 1 . 2]" 1
258 1 38 ARG H 1 38 ARG HA 2.790 . 2.790 2.150 2.100 2.230 . 0 0 "[ . 1 . 2]" 1
259 1 37 CYS HB2 1 38 ARG H 4.710 . 4.710 3.898 3.704 4.087 . 0 0 "[ . 1 . 2]" 1
260 1 37 CYS HB3 1 38 ARG H 5.120 . 5.120 4.052 3.874 4.156 . 0 0 "[ . 1 . 2]" 1
261 1 77 SER HA 1 80 LEU H 3.800 . 3.800 3.425 3.229 3.661 . 0 0 "[ . 1 . 2]" 1
262 1 48 CYS HB2 1 49 GLN H 3.370 . 3.370 2.656 2.555 2.774 . 0 0 "[ . 1 . 2]" 1
263 1 48 CYS HB3 1 49 GLN H 3.530 . 3.530 3.639 3.582 3.700 0.170 15 0 "[ . 1 . 2]" 1
264 1 79 TRP HB2 1 80 LEU H 4.030 . 4.030 3.777 3.672 3.833 . 0 0 "[ . 1 . 2]" 1
265 1 49 GLN H 1 49 GLN HG2 3.170 . 3.170 2.790 1.965 3.377 0.207 12 0 "[ . 1 . 2]" 1
266 1 49 GLN H 1 49 GLN HB3 2.700 . 2.700 2.757 2.684 2.834 0.134 15 0 "[ . 1 . 2]" 1
267 1 38 ARG H 1 38 ARG HB2 3.940 . 3.940 3.218 2.977 3.546 . 0 0 "[ . 1 . 2]" 1
268 1 38 ARG H 1 38 ARG HB3 4.190 . 4.190 3.795 3.552 4.144 . 0 0 "[ . 1 . 2]" 1
269 1 44 LEU HB3 1 49 GLN H 3.320 . 3.320 2.738 2.595 2.905 . 0 0 "[ . 1 . 2]" 1
270 1 35 ALA MB 1 38 ARG H 5.090 . 5.090 4.519 4.376 4.671 . 0 0 "[ . 1 . 2]" 1
271 1 38 ARG H 1 38 ARG HG2 5.500 . 5.500 4.591 3.460 5.352 . 0 0 "[ . 1 . 2]" 1
272 1 38 ARG H 1 38 ARG HG3 5.500 . 5.500 4.240 2.939 5.128 . 0 0 "[ . 1 . 2]" 1
273 1 80 LEU H 1 80 LEU HB2 3.700 . 3.700 2.344 2.319 2.364 . 0 0 "[ . 1 . 2]" 1
274 1 44 LEU MD2 1 49 GLN H 3.820 . 3.820 3.719 3.231 3.944 0.124 12 0 "[ . 1 . 2]" 1
275 1 44 LEU MD1 1 49 GLN H 4.030 . 4.030 3.854 3.661 4.004 . 0 0 "[ . 1 . 2]" 1
276 1 80 LEU H 1 80 LEU MD2 3.780 . 3.780 3.537 3.475 3.618 . 0 0 "[ . 1 . 2]" 1
277 1 80 LEU H 1 80 LEU MD1 3.610 . 3.610 3.402 3.360 3.446 . 0 0 "[ . 1 . 2]" 1
278 1 65 GLY H 1 69 HIS H 3.850 . 3.850 3.138 2.908 3.243 . 0 0 "[ . 1 . 2]" 1
279 1 37 CYS H 1 38 ARG H 2.810 . 2.810 1.953 1.890 2.011 . 0 0 "[ . 1 . 2]" 1
280 1 21 ALA HA 1 22 SER H 3.500 . 3.500 2.541 2.099 3.518 0.018 18 0 "[ . 1 . 2]" 1
281 1 65 GLY HA2 1 69 HIS H 4.440 . 4.440 4.492 4.416 4.566 0.126 6 0 "[ . 1 . 2]" 1
282 1 37 CYS H 1 38 ARG HA 4.280 . 4.280 4.044 3.929 4.199 . 0 0 "[ . 1 . 2]" 1
283 1 34 CYS HB2 1 37 CYS H 4.510 . 4.510 4.611 4.513 4.724 0.214 9 0 "[ . 1 . 2]" 1
284 1 37 CYS H 1 37 CYS HB3 3.010 . 3.010 2.911 2.817 2.990 . 0 0 "[ . 1 . 2]" 1
285 1 69 HIS H 1 69 HIS HB2 2.900 . 2.900 2.534 2.378 2.686 . 0 0 "[ . 1 . 2]" 1
286 1 68 ASN HB2 1 69 HIS H 4.480 . 4.480 4.495 4.200 4.535 0.055 13 0 "[ . 1 . 2]" 1
287 1 69 HIS H 1 69 HIS HB3 3.800 . 3.800 3.659 3.594 3.739 . 0 0 "[ . 1 . 2]" 1
288 1 37 CYS H 1 75 CYS HB3 4.000 . 4.000 3.690 3.344 3.850 . 0 0 "[ . 1 . 2]" 1
289 1 36 ILE HB 1 37 CYS H 3.350 . 3.350 2.515 2.407 2.624 . 0 0 "[ . 1 . 2]" 1
290 1 36 ILE HG12 1 37 CYS H 4.750 . 4.750 4.837 4.818 4.857 0.107 6 0 "[ . 1 . 2]" 1
291 1 36 ILE MG 1 37 CYS H 3.950 . 3.950 3.445 3.371 3.531 . 0 0 "[ . 1 . 2]" 1
292 1 66 VAL H 1 67 CYS H 3.040 . 3.040 2.473 2.417 2.511 . 0 0 "[ . 1 . 2]" 1
293 1 67 CYS H 1 68 ASN H 3.080 . 3.080 2.845 2.659 2.931 . 0 0 "[ . 1 . 2]" 1
294 1 67 CYS H 1 69 HIS H 3.930 . 3.930 3.646 3.497 3.938 0.008 13 0 "[ . 1 . 2]" 1
295 1 60 CYS H 1 61 THR H 4.050 . 4.050 3.077 2.537 3.517 . 0 0 "[ . 1 . 2]" 1
296 1 60 CYS HB2 1 61 THR H 3.830 . 3.830 3.514 3.309 3.801 . 0 0 "[ . 1 . 2]" 1
297 1 67 CYS H 1 67 CYS HB2 3.500 . 3.500 3.043 2.347 3.472 . 0 0 "[ . 1 . 2]" 1
298 1 65 GLY HA3 1 67 CYS H 3.680 . 3.680 3.167 3.100 3.234 . 0 0 "[ . 1 . 2]" 1
299 1 67 CYS H 1 67 CYS HB3 3.720 . 3.720 2.578 2.418 2.745 . 0 0 "[ . 1 . 2]" 1
300 1 60 CYS HB3 1 61 THR H 3.990 . 3.990 2.062 1.868 2.446 . 0 0 "[ . 1 . 2]" 1
301 1 66 VAL HB 1 67 CYS H 3.700 . 3.700 2.939 2.868 3.025 . 0 0 "[ . 1 . 2]" 1
302 1 66 VAL QG 1 67 CYS H 3.640 . 3.640 3.389 3.352 3.429 . 0 0 "[ . 1 . 2]" 1
303 1 80 LEU H 1 81 LYS H 3.110 . 3.110 2.580 2.487 2.667 . 0 0 "[ . 1 . 2]" 1
304 1 81 LYS H 1 82 THR H 2.860 . 2.860 2.594 2.510 2.652 . 0 0 "[ . 1 . 2]" 1
305 1 80 LEU HA 1 81 LYS H 3.450 . 3.450 3.422 3.367 3.463 0.013 14 0 "[ . 1 . 2]" 1
306 1 81 LYS H 1 81 LYS QB 2.560 . 2.560 2.342 2.148 2.504 . 0 0 "[ . 1 . 2]" 1
307 1 74 HIS H 1 75 CYS H 3.300 . 3.300 2.796 2.744 2.862 . 0 0 "[ . 1 . 2]" 1
308 1 72 HIS H 1 75 CYS H 4.140 . 4.140 4.242 4.180 4.290 0.150 16 0 "[ . 1 . 2]" 1
309 1 75 CYS H 1 76 ILE H 2.990 . 2.990 2.587 2.513 2.633 . 0 0 "[ . 1 . 2]" 1
310 1 75 CYS H 1 77 SER H 4.060 . 4.060 4.007 3.842 4.090 0.030 4 0 "[ . 1 . 2]" 1
311 1 74 HIS HD2 1 75 CYS H 4.520 . 4.520 4.567 3.755 4.814 0.294 16 0 "[ . 1 . 2]" 1
312 1 72 HIS HA 1 75 CYS H 4.400 . 4.400 4.366 4.304 4.420 0.020 19 0 "[ . 1 . 2]" 1
313 1 72 HIS HB2 1 75 CYS H 2.910 . 2.910 2.548 2.473 2.590 . 0 0 "[ . 1 . 2]" 1
314 1 72 HIS HB3 1 75 CYS H 3.520 . 3.520 2.321 2.190 2.415 . 0 0 "[ . 1 . 2]" 1
315 1 74 HIS HB2 1 75 CYS H 3.810 . 3.810 3.800 3.621 3.884 0.074 8 0 "[ . 1 . 2]" 1
316 1 74 HIS HB3 1 75 CYS H 4.270 . 4.270 2.420 2.326 2.489 . 0 0 "[ . 1 . 2]" 1
317 1 75 CYS H 1 75 CYS HB2 3.010 . 3.010 2.558 2.511 2.607 . 0 0 "[ . 1 . 2]" 1
318 1 75 CYS H 1 75 CYS HB3 3.670 . 3.670 3.514 3.480 3.530 . 0 0 "[ . 1 . 2]" 1
319 1 75 CYS H 1 76 ILE MG 3.940 . 3.940 3.987 3.854 4.043 0.103 5 0 "[ . 1 . 2]" 1
320 1 45 CYS HA 1 46 ILE H 3.100 . 3.100 2.602 2.405 2.768 . 0 0 "[ . 1 . 2]" 1
321 1 37 CYS HB2 1 46 ILE H 3.380 . 3.380 2.502 2.067 3.120 . 0 0 "[ . 1 . 2]" 1
322 1 45 CYS HB2 1 46 ILE H 3.570 . 3.570 2.875 2.576 3.107 . 0 0 "[ . 1 . 2]" 1
323 1 45 CYS HB3 1 46 ILE H 3.600 . 3.600 2.044 1.861 2.312 . 0 0 "[ . 1 . 2]" 1
324 1 46 ILE H 1 46 ILE HB 3.590 . 3.590 3.566 3.549 3.589 . 0 0 "[ . 1 . 2]" 1
325 1 46 ILE H 1 46 ILE HG12 3.390 . 3.390 1.760 1.663 1.902 . 0 0 "[ . 1 . 2]" 1
326 1 46 ILE H 1 46 ILE HG13 3.660 . 3.660 2.869 2.705 3.045 . 0 0 "[ . 1 . 2]" 1
327 1 46 ILE H 1 46 ILE MG 3.080 . 3.080 2.524 2.099 2.825 . 0 0 "[ . 1 . 2]" 1
328 1 46 ILE H 1 46 ILE MD 3.420 . 3.420 3.464 3.407 3.512 0.092 9 0 "[ . 1 . 2]" 1
329 1 88 LEU H 1 90 ASN H 3.300 . 3.300 3.503 3.382 3.764 0.464 13 0 "[ . 1 . 2]" 1
330 1 90 ASN H 1 90 ASN HA 2.770 . 2.770 2.246 2.204 2.288 . 0 0 "[ . 1 . 2]" 1
331 1 86 CYS HB2 1 90 ASN H 3.830 . 3.830 2.317 2.161 2.553 . 0 0 "[ . 1 . 2]" 1
332 1 89 ASP HB2 1 90 ASN H 3.670 . 3.670 3.126 2.904 3.523 . 0 0 "[ . 1 . 2]" 1
333 1 90 ASN H 1 90 ASN HB2 4.020 . 4.020 3.347 3.041 3.507 . 0 0 "[ . 1 . 2]" 1
334 1 89 ASP HB3 1 90 ASN H 3.870 . 3.870 3.609 2.900 3.976 0.106 8 0 "[ . 1 . 2]" 1
335 1 85 VAL HB 1 90 ASN H 4.130 . 4.130 3.872 3.728 4.051 . 0 0 "[ . 1 . 2]" 1
336 1 85 VAL MG2 1 90 ASN H 4.820 . 4.820 4.197 3.856 4.537 . 0 0 "[ . 1 . 2]" 1
337 1 35 ALA H 1 36 ILE H 3.450 . 3.450 2.351 2.191 2.423 . 0 0 "[ . 1 . 2]" 1
338 1 36 ILE H 1 38 ARG H 3.640 . 3.640 3.293 3.150 3.445 . 0 0 "[ . 1 . 2]" 1
339 1 36 ILE H 1 71 PHE HD1 3.630 . 3.630 2.969 2.774 3.331 . 0 0 "[ . 1 . 2]" 1
340 1 34 CYS HA 1 36 ILE H 3.990 . 3.990 3.479 3.358 3.629 . 0 0 "[ . 1 . 2]" 1
341 1 32 ASP HA 1 33 ASN H 3.550 . 3.550 3.198 2.954 3.362 . 0 0 "[ . 1 . 2]" 1
342 1 68 ASN H 1 68 ASN HA 2.620 . 2.620 2.239 2.174 2.270 . 0 0 "[ . 1 . 2]" 1
343 1 67 CYS HA 1 68 ASN H 3.530 . 3.530 3.086 2.990 3.160 . 0 0 "[ . 1 . 2]" 1
344 1 66 VAL HA 1 68 ASN H 3.840 . 3.840 3.326 3.239 3.442 . 0 0 "[ . 1 . 2]" 1
345 1 36 ILE H 1 75 CYS HB3 4.800 . 4.800 4.409 4.271 4.482 . 0 0 "[ . 1 . 2]" 1
346 1 68 ASN H 1 69 HIS HB2 4.340 . 4.340 4.454 4.400 4.501 0.161 18 0 "[ . 1 . 2]" 1
347 1 68 ASN H 1 68 ASN HB3 3.530 . 3.530 3.669 3.608 3.998 0.468 11 0 "[ . 1 . 2]" 1
348 1 32 ASP QB 1 33 ASN H 5.330 . 5.330 3.579 3.070 4.061 . 0 0 "[ . 1 . 2]" 1
349 1 33 ASN H 1 33 ASN HB2 3.790 . 3.790 2.932 2.466 3.887 0.097 1 0 "[ . 1 . 2]" 1
350 1 36 ILE H 1 36 ILE HB 3.250 . 3.250 2.493 2.454 2.520 . 0 0 "[ . 1 . 2]" 1
351 1 35 ALA MB 1 36 ILE H 3.690 . 3.690 2.997 2.730 3.125 . 0 0 "[ . 1 . 2]" 1
352 1 36 ILE H 1 36 ILE HG12 3.230 . 3.230 3.203 3.104 3.280 0.050 14 0 "[ . 1 . 2]" 1
353 1 36 ILE H 1 36 ILE MG 3.860 . 3.860 3.737 3.710 3.760 . 0 0 "[ . 1 . 2]" 1
354 1 66 VAL QG 1 68 ASN H 4.250 . 4.250 3.997 3.943 4.036 . 0 0 "[ . 1 . 2]" 1
355 1 36 ILE H 1 36 ILE HG13 3.560 . 3.560 1.962 1.837 2.032 . 0 0 "[ . 1 . 2]" 1
356 1 36 ILE H 1 36 ILE MD 3.960 . 3.960 3.489 3.390 3.548 . 0 0 "[ . 1 . 2]" 1
357 1 51 ASN H 1 51 ASN HB2 3.480 . 3.480 2.225 2.105 2.332 . 0 0 "[ . 1 . 2]" 1
358 1 51 ASN H 1 51 ASN HB3 3.260 . 3.260 2.766 2.380 3.499 0.239 13 0 "[ . 1 . 2]" 1
359 1 50 ALA MB 1 51 ASN H 3.570 . 3.570 2.504 2.359 2.700 . 0 0 "[ . 1 . 2]" 1
360 1 88 LEU H 1 89 ASP H 2.910 . 2.910 2.252 2.005 2.389 . 0 0 "[ . 1 . 2]" 1
361 1 89 ASP H 1 90 ASN H 2.850 . 2.850 2.386 2.005 2.571 . 0 0 "[ . 1 . 2]" 1
362 1 89 ASP H 1 90 ASN HA 4.720 . 4.720 4.597 4.183 4.795 0.075 5 0 "[ . 1 . 2]" 1
363 1 86 CYS HB2 1 89 ASP H 3.710 . 3.710 2.403 2.220 2.536 . 0 0 "[ . 1 . 2]" 1
364 1 89 ASP H 1 89 ASP HB2 3.740 . 3.740 2.324 2.187 2.586 . 0 0 "[ . 1 . 2]" 1
365 1 89 ASP H 1 89 ASP HB3 3.640 . 3.640 3.538 2.854 3.717 0.077 8 0 "[ . 1 . 2]" 1
366 1 88 LEU HG 1 89 ASP H 4.000 . 4.000 3.936 3.709 4.109 0.109 13 0 "[ . 1 . 2]" 1
367 1 88 LEU HB2 1 89 ASP H 3.520 . 3.520 2.370 2.080 2.827 . 0 0 "[ . 1 . 2]" 1
368 1 63 ALA H 1 71 PHE H 3.460 . 3.460 3.372 3.221 3.547 0.087 8 0 "[ . 1 . 2]" 1
369 1 71 PHE H 1 71 PHE HD2 4.110 . 4.110 3.292 3.084 3.402 . 0 0 "[ . 1 . 2]" 1
370 1 64 TRP HA 1 71 PHE H 3.750 . 3.750 3.524 3.420 3.648 . 0 0 "[ . 1 . 2]" 1
371 1 70 ALA HA 1 71 PHE H 2.830 . 2.830 2.162 2.075 2.214 . 0 0 "[ . 1 . 2]" 1
372 1 71 PHE H 1 71 PHE HB2 3.950 . 3.950 2.761 2.719 2.807 . 0 0 "[ . 1 . 2]" 1
373 1 71 PHE H 1 71 PHE HB3 3.860 . 3.860 3.851 3.816 3.869 0.009 19 0 "[ . 1 . 2]" 1
374 1 63 ALA MB 1 71 PHE H 4.440 . 4.440 4.003 3.730 4.448 0.008 5 0 "[ . 1 . 2]" 1
375 1 62 VAL MG2 1 71 PHE H 3.920 . 3.920 3.554 3.378 3.660 . 0 0 "[ . 1 . 2]" 1
376 1 70 ALA MB 1 71 PHE H 3.370 . 3.370 3.144 3.042 3.238 . 0 0 "[ . 1 . 2]" 1
377 1 51 ASN HA 1 51 ASN HD21 3.740 . 3.740 2.997 2.318 3.743 0.003 13 0 "[ . 1 . 2]" 1
378 1 51 ASN HB3 1 51 ASN HD21 3.500 . 3.500 3.422 3.384 3.502 0.002 2 0 "[ . 1 . 2]" 1
379 1 51 ASN HA 1 51 ASN HD22 4.160 . 4.160 3.865 3.529 4.215 0.055 13 0 "[ . 1 . 2]" 1
380 1 51 ASN HB2 1 51 ASN HD22 3.980 . 3.980 3.461 3.401 3.792 . 0 0 "[ . 1 . 2]" 1
381 1 51 ASN HB3 1 51 ASN HD22 4.140 . 4.140 4.013 3.985 4.066 . 0 0 "[ . 1 . 2]" 1
382 1 56 THR H 1 56 THR HB 3.500 . 3.500 2.950 2.577 3.685 0.185 3 0 "[ . 1 . 2]" 1
383 1 65 GLY H 1 66 VAL H 4.770 . 4.770 4.461 4.418 4.486 . 0 0 "[ . 1 . 2]" 1
384 1 65 GLY H 1 93 TRP HH2 3.520 . 3.520 3.077 2.923 3.185 . 0 0 "[ . 1 . 2]" 1
385 1 64 TRP HA 1 65 GLY H 2.740 . 2.740 2.203 2.148 2.284 . 0 0 "[ . 1 . 2]" 1
386 1 65 GLY H 1 70 ALA HA 3.950 . 3.950 2.977 2.859 3.131 . 0 0 "[ . 1 . 2]" 1
387 1 64 TRP HB3 1 65 GLY H 3.450 . 3.450 2.918 2.793 3.041 . 0 0 "[ . 1 . 2]" 1
388 1 79 TRP HE1 1 85 VAL H 3.910 . 3.910 3.636 3.442 3.784 . 0 0 "[ . 1 . 2]" 1
389 1 84 GLN H 1 85 VAL H 3.900 . 3.900 2.220 2.030 2.320 . 0 0 "[ . 1 . 2]" 1
390 1 84 GLN HA 1 85 VAL H 3.310 . 3.310 3.244 3.017 3.348 0.038 15 0 "[ . 1 . 2]" 1
391 1 83 ARG HA 1 85 VAL H 3.940 . 3.940 3.802 3.638 3.942 0.002 9 0 "[ . 1 . 2]" 1
392 1 83 ARG HD3 1 85 VAL H 4.820 . 4.820 4.850 4.074 5.027 0.207 9 0 "[ . 1 . 2]" 1
393 1 84 GLN HB2 1 85 VAL H 5.240 . 5.240 3.501 3.310 3.811 . 0 0 "[ . 1 . 2]" 1
394 1 85 VAL H 1 85 VAL HB 4.080 . 4.080 3.767 3.734 3.810 . 0 0 "[ . 1 . 2]" 1
395 1 83 ARG HB2 1 85 VAL H 3.490 . 3.490 3.473 3.377 3.573 0.083 11 0 "[ . 1 . 2]" 1
396 1 85 VAL H 1 85 VAL MG2 3.210 . 3.210 2.018 1.938 2.129 . 0 0 "[ . 1 . 2]" 1
397 1 83 ARG HB3 1 85 VAL H 3.610 . 3.610 2.423 2.255 2.683 . 0 0 "[ . 1 . 2]" 1
398 1 85 VAL H 1 85 VAL MG1 3.670 . 3.670 2.990 2.902 3.183 . 0 0 "[ . 1 . 2]" 1
399 1 80 LEU HA 1 82 THR H 4.020 . 4.020 3.957 3.851 4.074 0.054 2 0 "[ . 1 . 2]" 1
400 1 82 THR H 1 82 THR HB 3.890 . 3.890 3.273 2.903 3.678 . 0 0 "[ . 1 . 2]" 1
401 1 81 LYS QB 1 82 THR H 3.760 . 3.760 2.575 2.395 2.850 . 0 0 "[ . 1 . 2]" 1
402 1 82 THR H 1 82 THR MG 3.900 . 3.900 2.231 1.973 2.578 . 0 0 "[ . 1 . 2]" 1
403 1 36 ILE HB 1 76 ILE H 4.930 . 4.930 4.733 4.539 4.848 . 0 0 "[ . 1 . 2]" 1
404 1 76 ILE H 1 76 ILE QG 4.790 . 4.790 4.118 4.102 4.131 . 0 0 "[ . 1 . 2]" 1
405 1 72 HIS HA 1 76 ILE H 4.750 . 4.750 4.833 4.803 4.877 0.127 19 0 "[ . 1 . 2]" 1
406 1 76 ILE H 1 78 ARG H 4.610 . 4.610 4.274 4.170 4.356 . 0 0 "[ . 1 . 2]" 1
407 1 98 TYR H 1 98 TYR HB3 4.120 . 4.120 3.227 2.661 3.610 . 0 0 "[ . 1 . 2]" 1
408 1 97 LYS HG3 1 98 TYR H 4.930 . 4.930 3.586 2.375 4.940 0.010 13 0 "[ . 1 . 2]" 1
409 1 97 LYS HB3 1 98 TYR H 4.500 . 4.500 3.703 2.404 4.310 . 0 0 "[ . 1 . 2]" 1
410 1 97 LYS HB2 1 98 TYR H 4.710 . 4.710 3.955 2.252 4.378 . 0 0 "[ . 1 . 2]" 1
411 1 95 PHE HD1 1 96 GLN H 4.240 . 4.240 4.024 3.591 4.289 0.049 4 0 "[ . 1 . 2]" 1
412 1 93 TRP HH2 1 96 GLN H 5.140 . 5.140 5.176 5.025 5.254 0.114 18 0 "[ . 1 . 2]" 1
413 1 64 TRP HA 1 96 GLN H 5.500 . 5.500 4.958 4.812 5.139 . 0 0 "[ . 1 . 2]" 1
414 1 66 VAL HA 1 96 GLN H 5.500 . 5.500 4.528 4.152 5.078 . 0 0 "[ . 1 . 2]" 1
415 1 94 GLU H 1 95 PHE H 4.340 . 4.340 4.357 4.297 4.421 0.081 16 0 "[ . 1 . 2]" 1
416 1 66 VAL QG 1 95 PHE H 4.500 . 4.500 3.681 3.506 3.943 . 0 0 "[ . 1 . 2]" 1
417 1 93 TRP H 1 94 GLU H 4.700 . 4.700 4.514 4.404 4.579 . 0 0 "[ . 1 . 2]" 1
418 1 65 GLY HA3 1 94 GLU H 5.040 . 5.040 4.566 4.197 4.870 . 0 0 "[ . 1 . 2]" 1
419 1 94 GLU H 1 94 GLU QG 4.190 . 4.190 3.051 2.811 3.819 . 0 0 "[ . 1 . 2]" 1
420 1 66 VAL HB 1 94 GLU H 5.150 . 5.150 4.145 3.617 4.379 . 0 0 "[ . 1 . 2]" 1
421 1 85 VAL H 1 93 TRP H 5.070 . 5.070 4.493 4.310 4.708 . 0 0 "[ . 1 . 2]" 1
422 1 95 PHE H 1 96 GLN H 4.720 . 4.720 4.430 4.291 4.576 . 0 0 "[ . 1 . 2]" 1
423 1 92 GLU H 1 93 TRP H 4.570 . 4.570 4.552 4.475 4.606 0.036 6 0 "[ . 1 . 2]" 1
424 1 85 VAL HA 1 92 GLU H 4.670 . 4.670 4.292 3.961 4.595 . 0 0 "[ . 1 . 2]" 1
425 1 85 VAL MG1 1 92 GLU H 4.040 . 4.040 3.111 2.699 3.612 . 0 0 "[ . 1 . 2]" 1
426 1 85 VAL HA 1 91 ARG H 4.390 . 4.390 4.212 3.946 4.443 0.053 13 0 "[ . 1 . 2]" 1
427 1 85 VAL MG2 1 91 ARG H 4.710 . 4.710 4.265 3.932 4.512 . 0 0 "[ . 1 . 2]" 1
428 1 86 CYS H 1 90 ASN H 4.140 . 4.140 3.857 3.715 4.012 . 0 0 "[ . 1 . 2]" 1
429 1 86 CYS HB3 1 90 ASN H 4.220 . 4.220 3.291 3.093 3.732 . 0 0 "[ . 1 . 2]" 1
430 1 90 ASN H 1 91 ARG QG 5.310 . 5.310 4.580 3.949 5.642 0.332 17 0 "[ . 1 . 2]" 1
431 1 88 LEU HB2 1 90 ASN H 5.000 . 5.000 4.652 4.420 4.880 . 0 0 "[ . 1 . 2]" 1
432 1 85 VAL MG1 1 90 ASN H 5.500 . 5.500 5.189 5.054 5.387 . 0 0 "[ . 1 . 2]" 1
433 1 89 ASP H 1 91 ARG HB2 5.500 . 5.500 5.234 4.591 5.552 0.052 6 0 "[ . 1 . 2]" 1
434 1 89 ASP H 1 91 ARG QG 5.500 . 5.500 5.144 4.517 5.724 0.224 3 0 "[ . 1 . 2]" 1
435 1 88 LEU MD2 1 89 ASP H 5.490 . 5.490 4.489 4.353 4.555 . 0 0 "[ . 1 . 2]" 1
436 1 88 LEU MD1 1 89 ASP H 5.500 . 5.500 4.253 4.000 4.628 . 0 0 "[ . 1 . 2]" 1
437 1 87 PRO QG 1 89 ASP H 5.230 . 5.230 5.010 4.471 5.521 0.291 17 0 "[ . 1 . 2]" 1
438 1 86 CYS H 1 91 ARG H 3.360 . 3.360 2.631 2.434 2.885 . 0 0 "[ . 1 . 2]" 1
439 1 87 PRO QG 1 88 LEU H 4.640 . 4.640 3.062 2.361 3.673 . 0 0 "[ . 1 . 2]" 1
440 1 87 PRO HD3 1 88 LEU H 4.830 . 4.830 3.723 3.596 3.858 . 0 0 "[ . 1 . 2]" 1
441 1 86 CYS H 1 89 ASP HB2 4.720 . 4.720 4.098 3.767 4.853 0.133 8 0 "[ . 1 . 2]" 1
442 1 86 CYS H 1 93 TRP HB3 4.160 . 4.160 4.296 4.163 4.379 0.219 14 0 "[ . 1 . 2]" 1
443 1 85 VAL H 1 86 CYS H 4.430 . 4.430 4.456 4.420 4.496 0.066 12 0 "[ . 1 . 2]" 1
444 1 83 ARG H 1 85 VAL H 5.370 . 5.370 5.153 5.061 5.254 . 0 0 "[ . 1 . 2]" 1
445 1 85 VAL H 1 92 GLU HA 5.100 . 5.100 4.671 4.394 5.226 0.126 17 0 "[ . 1 . 2]" 1
446 1 85 VAL H 1 93 TRP HB2 5.290 . 5.290 5.245 4.985 5.432 0.142 7 0 "[ . 1 . 2]" 1
447 1 83 ARG HD2 1 85 VAL H 5.500 . 5.500 4.445 4.084 5.661 0.161 14 0 "[ . 1 . 2]" 1
448 1 84 GLN HB3 1 85 VAL H 4.050 . 4.050 4.129 4.069 4.190 0.140 10 0 "[ . 1 . 2]" 1
449 1 84 GLN H 1 84 GLN HG3 5.070 . 5.070 3.332 2.673 4.293 . 0 0 "[ . 1 . 2]" 1
450 1 83 ARG HB2 1 84 GLN H 4.870 . 4.870 3.789 3.634 3.962 . 0 0 "[ . 1 . 2]" 1
451 1 83 ARG HB3 1 84 GLN H 4.980 . 4.980 2.658 2.433 2.913 . 0 0 "[ . 1 . 2]" 1
452 1 84 GLN H 1 85 VAL MG1 4.950 . 4.950 3.585 3.421 3.868 . 0 0 "[ . 1 . 2]" 1
453 1 83 ARG H 1 84 GLN H 4.600 . 4.600 4.386 4.298 4.465 . 0 0 "[ . 1 . 2]" 1
454 1 80 LEU H 1 83 ARG H 4.520 . 4.520 4.363 4.279 4.452 . 0 0 "[ . 1 . 2]" 1
455 1 83 ARG H 1 83 ARG HD3 5.500 . 5.500 4.280 4.069 5.335 . 0 0 "[ . 1 . 2]" 1
456 1 83 ARG H 1 84 GLN HG3 5.500 . 5.500 5.560 5.182 6.006 0.506 10 2 "[ . +- . 2]" 1
457 1 81 LYS QB 1 83 ARG H 4.740 . 4.740 4.577 4.501 4.802 0.062 12 0 "[ . 1 . 2]" 1
458 1 80 LEU HB3 1 83 ARG H 5.500 . 5.500 4.852 4.677 5.014 . 0 0 "[ . 1 . 2]" 1
459 1 80 LEU HG 1 83 ARG H 5.500 . 5.500 5.342 5.192 5.468 . 0 0 "[ . 1 . 2]" 1
460 1 80 LEU HB2 1 83 ARG H 5.260 . 5.260 5.171 5.066 5.255 . 0 0 "[ . 1 . 2]" 1
461 1 80 LEU HB3 1 82 THR H 5.500 . 5.500 5.485 5.386 5.546 0.046 16 0 "[ . 1 . 2]" 1
462 1 81 LYS HG2 1 82 THR H 5.500 . 5.500 4.397 3.818 5.134 . 0 0 "[ . 1 . 2]" 1
463 1 80 LEU HB2 1 82 THR H 5.500 . 5.500 5.164 5.034 5.250 . 0 0 "[ . 1 . 2]" 1
464 1 81 LYS HG3 1 82 THR H 5.500 . 5.500 4.690 4.327 4.977 . 0 0 "[ . 1 . 2]" 1
465 1 79 TRP H 1 81 LYS H 4.120 . 4.120 3.947 3.788 4.132 0.012 14 0 "[ . 1 . 2]" 1
466 1 81 LYS H 1 82 THR HA 5.110 . 5.110 5.188 5.172 5.210 0.100 11 0 "[ . 1 . 2]" 1
467 1 79 TRP QB 1 81 LYS H 4.970 . 4.970 4.505 4.406 4.651 . 0 0 "[ . 1 . 2]" 1
468 1 81 LYS H 1 82 THR MG 4.390 . 4.390 4.092 3.832 4.365 . 0 0 "[ . 1 . 2]" 1
469 1 80 LEU MD2 1 81 LYS H 5.430 . 5.430 4.745 4.656 4.818 . 0 0 "[ . 1 . 2]" 1
470 1 80 LEU MD1 1 81 LYS H 5.170 . 5.170 4.721 4.606 4.812 . 0 0 "[ . 1 . 2]" 1
471 1 80 LEU H 1 82 THR H 4.670 . 4.670 4.145 4.005 4.299 . 0 0 "[ . 1 . 2]" 1
472 1 79 TRP HD1 1 80 LEU H 4.340 . 4.340 3.518 3.308 3.657 . 0 0 "[ . 1 . 2]" 1
473 1 78 ARG H 1 80 LEU H 4.700 . 4.700 4.128 4.021 4.236 . 0 0 "[ . 1 . 2]" 1
474 1 76 ILE HA 1 80 LEU H 4.120 . 4.120 3.771 3.667 3.861 . 0 0 "[ . 1 . 2]" 1
475 1 80 LEU H 1 80 LEU HB3 3.550 . 3.550 3.540 3.516 3.557 0.007 20 0 "[ . 1 . 2]" 1
476 1 80 LEU H 1 80 LEU HG 3.140 . 3.140 2.318 2.244 2.396 . 0 0 "[ . 1 . 2]" 1
477 1 76 ILE MG 1 80 LEU H 5.350 . 5.350 4.648 4.576 4.692 . 0 0 "[ . 1 . 2]" 1
478 1 80 LEU H 1 82 THR MG 5.500 . 5.500 5.075 4.362 5.689 0.189 6 0 "[ . 1 . 2]" 1
479 1 76 ILE MD 1 80 LEU H 4.380 . 4.380 3.883 3.719 4.007 . 0 0 "[ . 1 . 2]" 1
480 1 36 ILE MD 1 80 LEU H 5.230 . 5.230 4.729 4.549 4.898 . 0 0 "[ . 1 . 2]" 1
481 1 79 TRP H 1 82 THR H 5.260 . 5.260 4.997 4.866 5.137 . 0 0 "[ . 1 . 2]" 1
482 1 79 TRP H 1 79 TRP HD1 4.750 . 4.750 4.824 4.771 4.874 0.124 18 0 "[ . 1 . 2]" 1
483 1 79 TRP H 1 80 LEU HA 5.500 . 5.500 5.242 5.182 5.306 . 0 0 "[ . 1 . 2]" 1
484 1 76 ILE MG 1 79 TRP H 5.110 . 5.110 4.859 4.770 4.918 . 0 0 "[ . 1 . 2]" 1
485 1 79 TRP H 1 82 THR MG 5.500 . 5.500 4.981 4.261 5.551 0.051 13 0 "[ . 1 . 2]" 1
486 1 79 TRP H 1 80 LEU MD2 5.500 . 5.500 5.530 5.494 5.588 0.088 3 0 "[ . 1 . 2]" 1
487 1 79 TRP H 1 80 LEU MD1 4.930 . 4.930 5.061 5.014 5.103 0.173 7 0 "[ . 1 . 2]" 1
488 1 76 ILE MG 1 78 ARG H 4.520 . 4.520 4.488 4.442 4.569 0.049 8 0 "[ . 1 . 2]" 1
489 1 78 ARG H 1 80 LEU MD1 5.500 . 5.500 5.371 5.216 5.543 0.043 6 0 "[ . 1 . 2]" 1
490 1 75 CYS HB2 1 77 SER H 4.950 . 4.950 4.980 4.918 5.013 0.063 9 0 "[ . 1 . 2]" 1
491 1 75 CYS HB3 1 77 SER H 5.500 . 5.500 5.566 5.503 5.620 0.120 13 0 "[ . 1 . 2]" 1
492 1 77 SER H 1 78 ARG HB2 5.020 . 5.020 4.821 4.694 5.050 0.030 10 0 "[ . 1 . 2]" 1
493 1 77 SER H 1 78 ARG QG 5.500 . 5.500 4.680 4.304 5.886 0.386 6 0 "[ . 1 . 2]" 1
494 1 77 SER H 1 80 LEU HG 5.500 . 5.500 5.034 4.874 5.247 . 0 0 "[ . 1 . 2]" 1
495 1 77 SER H 1 80 LEU MD1 4.560 . 4.560 4.106 3.937 4.305 . 0 0 "[ . 1 . 2]" 1
496 1 76 ILE QG 1 77 SER H 4.890 . 4.890 3.946 3.880 4.001 . 0 0 "[ . 1 . 2]" 1
497 1 36 ILE MD 1 77 SER H 5.400 . 5.400 4.558 4.510 4.647 . 0 0 "[ . 1 . 2]" 1
498 1 76 ILE MD 1 77 SER H 4.760 . 4.760 4.710 4.683 4.753 . 0 0 "[ . 1 . 2]" 1
499 1 75 CYS H 1 78 ARG H 4.990 . 4.990 4.822 4.699 4.917 . 0 0 "[ . 1 . 2]" 1
500 1 71 PHE HB3 1 75 CYS H 5.500 . 5.500 5.207 5.096 5.309 . 0 0 "[ . 1 . 2]" 1
501 1 75 CYS H 1 78 ARG HB2 5.500 . 5.500 5.457 5.232 5.661 0.161 8 0 "[ . 1 . 2]" 1
502 1 36 ILE HB 1 75 CYS H 5.010 . 5.010 5.081 4.974 5.162 0.152 13 0 "[ . 1 . 2]" 1
503 1 36 ILE MD 1 75 CYS H 4.750 . 4.750 4.393 4.294 4.533 . 0 0 "[ . 1 . 2]" 1
504 1 73 PHE H 1 75 CYS H 4.630 . 4.630 4.254 4.181 4.340 . 0 0 "[ . 1 . 2]" 1
505 1 74 HIS H 1 76 ILE H 4.930 . 4.930 4.209 4.147 4.287 . 0 0 "[ . 1 . 2]" 1
506 1 74 HIS H 1 74 HIS HD2 5.070 . 5.070 4.987 4.854 5.078 0.008 8 0 "[ . 1 . 2]" 1
507 1 73 PHE HD2 1 74 HIS H 4.470 . 4.470 3.677 3.519 3.867 . 0 0 "[ . 1 . 2]" 1
508 1 63 ALA MB 1 74 HIS H 5.120 . 5.120 5.097 4.970 5.259 0.139 5 0 "[ . 1 . 2]" 1
509 1 74 HIS H 1 76 ILE MG 4.940 . 4.940 4.129 4.060 4.283 . 0 0 "[ . 1 . 2]" 1
510 1 72 HIS H 1 73 PHE H 4.580 . 4.580 4.519 4.499 4.549 . 0 0 "[ . 1 . 2]" 1
511 1 61 THR H 1 73 PHE H 5.330 . 5.330 4.362 4.177 4.582 . 0 0 "[ . 1 . 2]" 1
512 1 72 HIS HD2 1 73 PHE H 4.430 . 4.430 3.911 3.737 4.146 . 0 0 "[ . 1 . 2]" 1
513 1 73 PHE H 1 73 PHE HD1 5.190 . 5.190 4.726 4.632 4.782 . 0 0 "[ . 1 . 2]" 1
514 1 73 PHE H 1 73 PHE HD2 5.500 . 5.500 4.724 4.627 4.821 . 0 0 "[ . 1 . 2]" 1
515 1 73 PHE H 1 76 ILE MG 3.930 . 3.930 3.885 3.839 3.943 0.013 5 0 "[ . 1 . 2]" 1
516 1 62 VAL MG1 1 73 PHE H 4.340 . 4.340 4.484 4.398 4.630 0.290 8 0 "[ . 1 . 2]" 1
517 1 62 VAL MG2 1 73 PHE H 5.040 . 5.040 3.767 3.602 4.012 . 0 0 "[ . 1 . 2]" 1
518 1 63 ALA H 1 72 HIS H 4.990 . 4.990 4.831 4.716 4.997 0.007 8 0 "[ . 1 . 2]" 1
519 1 71 PHE HD1 1 72 HIS H 4.350 . 4.350 3.873 3.787 3.975 . 0 0 "[ . 1 . 2]" 1
520 1 72 HIS H 1 75 CYS HB3 5.160 . 5.160 4.599 4.486 4.693 . 0 0 "[ . 1 . 2]" 1
521 1 72 HIS H 1 76 ILE HB 4.510 . 4.510 4.270 4.207 4.360 . 0 0 "[ . 1 . 2]" 1
522 1 71 PHE HB3 1 72 HIS H 3.730 . 3.730 2.328 2.236 2.425 . 0 0 "[ . 1 . 2]" 1
523 1 72 HIS H 1 74 HIS H 5.330 . 5.330 5.499 5.473 5.521 0.191 18 0 "[ . 1 . 2]" 1
524 1 71 PHE H 1 93 TRP HH2 4.140 . 4.140 3.300 3.091 3.448 . 0 0 "[ . 1 . 2]" 1
525 1 62 VAL HA 1 71 PHE H 4.960 . 4.960 5.039 4.940 5.105 0.145 7 0 "[ . 1 . 2]" 1
526 1 31 VAL MG1 1 71 PHE H 5.320 . 5.320 5.425 4.842 5.665 0.345 19 0 "[ . 1 . 2]" 1
527 1 70 ALA H 1 88 LEU MD1 4.410 . 4.410 4.298 4.097 4.548 0.138 18 0 "[ . 1 . 2]" 1
528 1 64 TRP HA 1 70 ALA H 5.200 . 5.200 5.080 4.949 5.216 0.016 7 0 "[ . 1 . 2]" 1
529 1 70 ALA H 1 71 PHE H 4.270 . 4.270 4.106 4.018 4.188 . 0 0 "[ . 1 . 2]" 1
530 1 66 VAL H 1 69 HIS H 5.160 . 5.160 4.846 4.751 4.946 . 0 0 "[ . 1 . 2]" 1
531 1 69 HIS H 1 69 HIS HD2 5.270 . 5.270 4.722 4.509 5.026 . 0 0 "[ . 1 . 2]" 1
532 1 69 HIS H 1 93 TRP HH2 5.500 . 5.500 5.167 4.964 5.372 . 0 0 "[ . 1 . 2]" 1
533 1 64 TRP HA 1 69 HIS H 5.300 . 5.300 5.138 4.903 5.265 . 0 0 "[ . 1 . 2]" 1
534 1 66 VAL QG 1 69 HIS H 5.410 . 5.410 5.330 5.267 5.419 0.009 13 0 "[ . 1 . 2]" 1
535 1 69 HIS H 1 70 ALA MB 5.240 . 5.240 4.805 4.663 4.907 . 0 0 "[ . 1 . 2]" 1
536 1 66 VAL HB 1 68 ASN H 4.900 . 4.900 4.798 4.684 4.854 . 0 0 "[ . 1 . 2]" 1
537 1 67 CYS HB3 1 68 ASN H 4.530 . 4.530 4.283 3.845 4.563 0.033 8 0 "[ . 1 . 2]" 1
538 1 68 ASN H 1 69 HIS HA 5.040 . 5.040 5.128 5.104 5.171 0.131 8 0 "[ . 1 . 2]" 1
539 1 67 CYS H 1 94 GLU H 4.550 . 4.550 3.857 3.434 4.109 . 0 0 "[ . 1 . 2]" 1
540 1 65 GLY H 1 67 CYS H 4.820 . 4.820 4.898 4.854 4.945 0.125 13 0 "[ . 1 . 2]" 1
541 1 67 CYS H 1 93 TRP HA 5.180 . 5.180 5.073 4.446 5.276 0.096 5 0 "[ . 1 . 2]" 1
542 1 67 CYS H 1 96 GLN HB2 4.790 . 4.790 4.689 4.489 4.852 0.062 3 0 "[ . 1 . 2]" 1
543 1 67 CYS H 1 94 GLU QB 4.400 . 4.400 3.822 3.353 4.329 . 0 0 "[ . 1 . 2]" 1
544 1 66 VAL H 1 95 PHE H 5.000 . 5.000 4.702 4.536 4.838 . 0 0 "[ . 1 . 2]" 1
545 1 65 GLY H 1 68 ASN H 4.740 . 4.740 4.830 4.628 4.941 0.201 12 0 "[ . 1 . 2]" 1
546 1 65 GLY H 1 93 TRP HZ2 4.880 . 4.880 4.703 4.406 4.864 . 0 0 "[ . 1 . 2]" 1
547 1 65 GLY H 1 71 PHE HE2 5.500 . 5.500 5.642 5.565 5.706 0.206 18 0 "[ . 1 . 2]" 1
548 1 65 GLY H 1 96 GLN HB2 4.380 . 4.380 4.406 4.216 4.529 0.149 8 0 "[ . 1 . 2]" 1
549 1 65 GLY H 1 66 VAL QG 5.300 . 5.300 5.277 5.220 5.331 0.031 7 0 "[ . 1 . 2]" 1
550 1 65 GLY H 1 70 ALA MB 4.660 . 4.660 3.930 3.768 4.167 . 0 0 "[ . 1 . 2]" 1
551 1 64 TRP H 1 64 TRP HE3 4.070 . 4.070 4.157 4.113 4.217 0.147 8 0 "[ . 1 . 2]" 1
552 1 64 TRP H 1 98 TYR HA 4.530 . 4.530 3.594 2.987 4.414 . 0 0 "[ . 1 . 2]" 1
553 1 36 ILE MG 1 79 TRP H 4.120 . 4.120 3.612 3.242 3.909 . 0 0 "[ . 1 . 2]" 1
554 1 62 VAL MG2 1 64 TRP H 4.890 . 4.890 4.476 4.272 4.650 . 0 0 "[ . 1 . 2]" 1
555 1 62 VAL H 1 63 ALA H 4.450 . 4.450 4.384 4.263 4.462 0.012 12 0 "[ . 1 . 2]" 1
556 1 63 ALA H 1 73 PHE HD1 5.500 . 5.500 4.942 4.597 5.193 . 0 0 "[ . 1 . 2]" 1
557 1 63 ALA H 1 70 ALA HA 5.150 . 5.150 4.882 4.670 5.101 . 0 0 "[ . 1 . 2]" 1
558 1 63 ALA H 1 73 PHE HB2 4.740 . 4.740 3.537 3.390 3.660 . 0 0 "[ . 1 . 2]" 1
559 1 63 ALA H 1 73 PHE HB3 4.610 . 4.610 4.716 4.647 4.793 0.183 11 0 "[ . 1 . 2]" 1
560 1 61 THR H 1 74 HIS H 4.840 . 4.840 4.243 3.886 4.715 . 0 0 "[ . 1 . 2]" 1
561 1 61 THR H 1 62 VAL H 4.310 . 4.310 4.159 3.969 4.349 0.039 18 0 "[ . 1 . 2]" 1
562 1 61 THR H 1 62 VAL MG1 5.150 . 5.150 4.972 4.648 5.162 0.012 18 0 "[ . 1 . 2]" 1
563 1 59 GLU H 1 60 CYS QB 5.360 . 5.360 5.274 4.971 5.411 0.051 8 0 "[ . 1 . 2]" 1
564 1 57 SER HB2 1 58 GLU H 4.090 . 4.090 3.130 2.884 3.300 . 0 0 "[ . 1 . 2]" 1
565 1 53 ALA MB 1 54 SER H 4.940 . 4.940 2.891 1.893 3.560 . 0 0 "[ . 1 . 2]" 1
566 1 49 GLN HA 1 52 GLN H 5.180 . 5.180 3.572 2.993 4.056 . 0 0 "[ . 1 . 2]" 1
567 1 51 ASN HB2 1 52 GLN H 4.940 . 4.940 3.447 2.693 3.804 . 0 0 "[ . 1 . 2]" 1
568 1 51 ASN HB3 1 52 GLN H 5.150 . 5.150 2.670 2.102 3.541 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLN H 1 52 GLN HB3 4.140 . 4.140 3.718 2.730 4.161 0.021 1 0 "[ . 1 . 2]" 1
570 1 50 ALA MB 1 52 GLN H 5.500 . 5.500 4.455 4.214 4.756 . 0 0 "[ . 1 . 2]" 1
571 1 52 GLN H 1 53 ALA MB 5.500 . 5.500 4.406 4.097 4.678 . 0 0 "[ . 1 . 2]" 1
572 1 51 ASN H 1 52 GLN H 4.190 . 4.190 2.605 2.455 2.742 . 0 0 "[ . 1 . 2]" 1
573 1 48 CYS H 1 51 ASN H 4.860 . 4.860 4.493 4.407 4.657 . 0 0 "[ . 1 . 2]" 1
574 1 48 CYS HA 1 51 ASN H 4.000 . 4.000 3.252 3.086 3.533 . 0 0 "[ . 1 . 2]" 1
575 1 44 LEU MD2 1 50 ALA H 5.190 . 5.190 5.292 4.946 5.430 0.240 5 0 "[ . 1 . 2]" 1
576 1 44 LEU MD1 1 50 ALA H 5.400 . 5.400 4.756 4.420 4.939 . 0 0 "[ . 1 . 2]" 1
577 1 50 ALA H 1 51 ASN HB2 4.660 . 4.660 4.362 4.145 4.607 . 0 0 "[ . 1 . 2]" 1
578 1 50 ALA H 1 52 GLN H 4.570 . 4.570 4.015 3.727 4.265 . 0 0 "[ . 1 . 2]" 1
579 1 44 LEU HA 1 49 GLN H 4.670 . 4.670 4.796 4.619 4.866 0.196 6 0 "[ . 1 . 2]" 1
580 1 47 GLU HG2 1 48 CYS H 4.920 . 4.920 4.722 4.053 5.000 0.080 18 0 "[ . 1 . 2]" 1
581 1 48 CYS H 1 49 GLN HG3 5.130 . 5.130 4.462 3.785 5.276 0.146 14 0 "[ . 1 . 2]" 1
582 1 46 ILE MD 1 48 CYS H 4.450 . 4.450 4.714 4.570 5.033 0.583 7 2 "[ . + 1- . 2]" 1
583 1 45 CYS H 1 48 CYS H 4.700 . 4.700 4.086 3.884 4.210 . 0 0 "[ . 1 . 2]" 1
584 1 46 ILE H 1 48 CYS QB 4.370 . 4.370 4.348 4.118 4.475 0.105 19 0 "[ . 1 . 2]" 1
585 1 46 ILE H 1 48 CYS H 4.210 . 4.210 3.804 3.668 3.951 . 0 0 "[ . 1 . 2]" 1
586 1 45 CYS H 1 46 ILE H 4.470 . 4.470 4.427 4.312 4.510 0.040 13 0 "[ . 1 . 2]" 1
587 1 44 LEU H 1 45 CYS H 4.790 . 4.790 4.600 4.561 4.637 . 0 0 "[ . 1 . 2]" 1
588 1 44 LEU H 1 45 CYS HA 5.500 . 5.500 5.498 5.388 5.549 0.049 17 0 "[ . 1 . 2]" 1
589 1 44 LEU H 1 57 SER HB3 5.500 . 5.500 5.506 4.706 5.833 0.333 20 0 "[ . 1 . 2]" 1
590 1 41 ILE MG 1 43 ASP H 5.010 . 5.010 4.891 3.994 5.226 0.216 19 0 "[ . 1 . 2]" 1
591 1 43 ASP H 1 62 VAL MG1 5.500 . 5.500 5.433 5.030 5.676 0.176 20 0 "[ . 1 . 2]" 1
592 1 32 ASP QB 1 41 ILE H 4.620 . 4.620 4.060 3.730 4.647 0.027 12 0 "[ . 1 . 2]" 1
593 1 33 ASN HB2 1 41 ILE H 5.440 . 5.440 5.086 3.869 5.552 0.112 4 0 "[ . 1 . 2]" 1
594 1 33 ASN HB3 1 41 ILE H 5.270 . 5.270 4.742 3.365 5.464 0.194 18 0 "[ . 1 . 2]" 1
595 1 41 ILE MD 1 43 ASP H 5.500 . 5.500 5.145 4.547 5.514 0.014 3 0 "[ . 1 . 2]" 1
596 1 41 ILE H 1 41 ILE MD 4.400 . 4.400 3.985 3.830 4.111 . 0 0 "[ . 1 . 2]" 1
597 1 41 ILE H 1 43 ASP QB 5.500 . 5.500 4.792 4.408 5.139 . 0 0 "[ . 1 . 2]" 1
598 1 40 HIS H 1 72 HIS HE1 5.170 . 5.170 4.444 3.831 5.181 0.011 19 0 "[ . 1 . 2]" 1
599 1 40 HIS H 1 40 HIS HD2 5.170 . 5.170 4.985 4.456 5.252 0.082 4 0 "[ . 1 . 2]" 1
600 1 40 HIS HD2 1 41 ILE H 4.810 . 4.810 2.710 1.927 3.303 . 0 0 "[ . 1 . 2]" 1
601 1 39 ASN H 1 40 HIS H 4.740 . 4.740 4.403 4.330 4.537 . 0 0 "[ . 1 . 2]" 1
602 1 37 CYS H 1 39 ASN H 4.190 . 4.190 3.674 3.363 3.903 . 0 0 "[ . 1 . 2]" 1
603 1 39 ASN H 1 72 HIS HE1 5.100 . 5.100 4.481 4.158 4.747 . 0 0 "[ . 1 . 2]" 1
604 1 38 ARG HB2 1 39 ASN H 4.370 . 4.370 4.422 3.893 4.537 0.167 3 0 "[ . 1 . 2]" 1
605 1 38 ARG HG2 1 39 ASN H 5.500 . 5.500 4.873 4.407 5.776 0.276 19 0 "[ . 1 . 2]" 1
606 1 38 ARG HG3 1 39 ASN H 5.500 . 5.500 4.801 4.420 5.827 0.327 6 0 "[ . 1 . 2]" 1
607 1 39 ASN H 1 46 ILE MG 5.200 . 5.200 4.652 3.840 5.251 0.051 18 0 "[ . 1 . 2]" 1
608 1 35 ALA H 1 38 ARG H 5.080 . 5.080 4.454 4.320 4.536 . 0 0 "[ . 1 . 2]" 1
609 1 34 CYS HB2 1 38 ARG H 4.820 . 4.820 4.889 4.735 4.984 0.164 12 0 "[ . 1 . 2]" 1
610 1 36 ILE MG 1 38 ARG H 5.230 . 5.230 4.885 4.750 5.065 . 0 0 "[ . 1 . 2]" 1
611 1 35 ALA HA 1 37 CYS H 4.790 . 4.790 4.447 4.233 4.697 . 0 0 "[ . 1 . 2]" 1
612 1 37 CYS H 1 38 ARG HB2 4.900 . 4.900 4.867 4.674 5.105 0.205 6 0 "[ . 1 . 2]" 1
613 1 34 CYS HB3 1 37 CYS H 4.580 . 4.580 3.237 3.048 3.452 . 0 0 "[ . 1 . 2]" 1
614 1 36 ILE HG13 1 37 CYS H 4.750 . 4.750 4.007 3.970 4.039 . 0 0 "[ . 1 . 2]" 1
615 1 36 ILE MD 1 37 CYS H 4.780 . 4.780 4.486 4.379 4.569 . 0 0 "[ . 1 . 2]" 1
616 1 37 CYS H 1 75 CYS HB2 4.350 . 4.350 4.304 4.033 4.416 0.066 11 0 "[ . 1 . 2]" 1
617 1 36 ILE H 1 75 CYS HB2 4.440 . 4.440 4.583 4.508 4.652 0.212 18 0 "[ . 1 . 2]" 1
618 1 36 ILE H 1 37 CYS HB3 5.500 . 5.500 5.366 5.230 5.476 . 0 0 "[ . 1 . 2]" 1
619 1 34 CYS HB2 1 36 ILE H 4.830 . 4.830 4.719 4.632 4.844 0.014 5 0 "[ . 1 . 2]" 1
620 1 34 CYS HA 1 37 CYS H 4.800 . 4.800 4.767 4.608 4.852 0.052 5 0 "[ . 1 . 2]" 1
621 1 34 CYS HB3 1 36 ILE H 4.600 . 4.600 3.908 3.769 4.087 . 0 0 "[ . 1 . 2]" 1
622 1 34 CYS HB2 1 35 ALA H 4.310 . 4.310 4.467 4.389 4.522 0.212 7 0 "[ . 1 . 2]" 1
623 1 35 ALA H 1 36 ILE MG 5.500 . 5.500 5.560 5.417 5.612 0.112 5 0 "[ . 1 . 2]" 1
624 1 35 ALA H 1 36 ILE HG12 4.510 . 4.510 4.716 4.632 4.762 0.252 5 0 "[ . 1 . 2]" 1
625 1 35 ALA H 1 88 LEU MD1 5.500 . 5.500 4.527 4.023 4.875 . 0 0 "[ . 1 . 2]" 1
626 1 35 ALA H 1 36 ILE HG13 4.630 . 4.630 3.268 3.071 3.331 . 0 0 "[ . 1 . 2]" 1
627 1 35 ALA H 1 36 ILE MD 5.500 . 5.500 4.489 4.267 4.567 . 0 0 "[ . 1 . 2]" 1
628 1 34 CYS H 1 41 ILE MG 5.470 . 5.470 5.187 4.889 5.485 0.015 1 0 "[ . 1 . 2]" 1
629 1 34 CYS H 1 41 ILE HB 5.030 . 5.030 4.422 4.101 4.727 . 0 0 "[ . 1 . 2]" 1
630 1 34 CYS H 1 41 ILE MD 4.630 . 4.630 4.133 3.713 4.449 . 0 0 "[ . 1 . 2]" 1
631 1 35 ALA H 1 88 LEU MD2 4.640 . 4.640 4.539 4.026 4.800 0.160 7 0 "[ . 1 . 2]" 1
632 1 34 CYS H 1 35 ALA H 4.660 . 4.660 4.363 4.251 4.474 . 0 0 "[ . 1 . 2]" 1
633 1 30 VAL HB 1 33 ASN H 4.530 . 4.530 4.033 2.629 4.658 0.128 12 0 "[ . 1 . 2]" 1
634 1 33 ASN H 1 33 ASN HB3 4.100 . 4.100 3.545 2.580 3.781 . 0 0 "[ . 1 . 2]" 1
635 1 32 ASP H 1 33 ASN H 4.160 . 4.160 2.301 1.637 2.721 . 0 0 "[ . 1 . 2]" 1
636 1 31 VAL HB 1 32 ASP H 4.430 . 4.430 4.012 2.749 4.442 0.012 20 0 "[ . 1 . 2]" 1
637 1 29 ILE HG12 1 30 VAL H 4.830 . 4.830 4.211 3.186 5.111 0.281 8 0 "[ . 1 . 2]" 1
638 1 30 VAL H 1 30 VAL HB 3.160 . 3.160 2.579 2.407 2.868 . 0 0 "[ . 1 . 2]" 1
639 1 89 ASP HA 1 91 ARG H 5.050 . 5.050 4.400 4.235 4.584 . 0 0 "[ . 1 . 2]" 1
640 1 89 ASP HB2 1 91 ARG H 3.750 . 3.750 2.843 2.346 3.704 . 0 0 "[ . 1 . 2]" 1
641 1 36 ILE H 1 37 CYS HA 5.400 . 5.400 5.204 5.142 5.266 . 0 0 "[ . 1 . 2]" 1
642 1 34 CYS HB2 1 39 ASN H 3.820 . 3.820 4.008 3.928 4.112 0.292 19 0 "[ . 1 . 2]" 1
643 1 76 ILE MD 1 79 TRP HE1 4.400 . 4.400 3.655 3.546 3.874 . 0 0 "[ . 1 . 2]" 1
644 1 79 TRP HE1 1 87 PRO QG 5.020 . 5.020 3.686 3.007 4.239 . 0 0 "[ . 1 . 2]" 1
645 1 79 TRP HE1 1 83 ARG HB2 4.510 . 4.510 3.204 3.068 3.377 . 0 0 "[ . 1 . 2]" 1
646 1 79 TRP HE1 1 80 LEU HG 4.960 . 4.960 4.912 4.816 4.965 0.005 17 0 "[ . 1 . 2]" 1
647 1 79 TRP HE1 1 87 PRO HD2 4.410 . 4.410 4.042 3.723 4.327 . 0 0 "[ . 1 . 2]" 1
648 1 62 VAL MG1 1 64 TRP HE1 4.450 . 4.450 4.340 3.951 4.543 0.093 5 0 "[ . 1 . 2]" 1
649 1 64 TRP HB2 1 64 TRP HE1 5.180 . 5.180 4.801 4.767 4.831 . 0 0 "[ . 1 . 2]" 1
650 1 66 VAL H 1 96 GLN HB3 4.560 . 4.560 4.237 3.941 4.430 . 0 0 "[ . 1 . 2]" 1
651 1 63 ALA H 1 76 ILE MG 4.130 . 4.130 4.096 3.967 4.176 0.046 12 0 "[ . 1 . 2]" 1
652 1 41 ILE MD 1 63 ALA H 5.490 . 5.490 4.179 3.752 4.629 . 0 0 "[ . 1 . 2]" 1
653 1 63 ALA H 1 70 ALA MB 5.370 . 5.370 4.932 4.749 5.219 . 0 0 "[ . 1 . 2]" 1
654 1 99 GLY H 1 100 HIS H 4.670 . 4.670 3.985 2.116 4.583 . 0 0 "[ . 1 . 2]" 1
655 1 79 TRP HE1 1 86 CYS H 5.090 . 5.090 4.392 4.249 4.521 . 0 0 "[ . 1 . 2]" 1
656 1 73 PHE H 1 76 ILE H 5.380 . 5.380 4.663 4.621 4.708 . 0 0 "[ . 1 . 2]" 1
657 1 74 HIS H 1 77 SER H 5.120 . 5.120 4.651 4.567 4.747 . 0 0 "[ . 1 . 2]" 1
658 1 36 ILE MD 1 72 HIS H 4.860 . 4.860 3.617 3.476 3.825 . 0 0 "[ . 1 . 2]" 1
659 1 45 CYS HB2 1 48 CYS H 4.460 . 4.460 2.797 2.518 3.053 . 0 0 "[ . 1 . 2]" 1
660 1 35 ALA H 1 71 PHE HE1 4.200 . 4.200 2.894 2.589 3.262 . 0 0 "[ . 1 . 2]" 1
661 1 35 ALA H 1 37 CYS H 4.590 . 4.590 4.483 4.350 4.577 . 0 0 "[ . 1 . 2]" 1
662 1 41 ILE MD 1 70 ALA H 5.500 . 5.500 4.409 4.258 4.684 . 0 0 "[ . 1 . 2]" 1
663 1 62 VAL H 1 73 PHE H 5.010 . 5.010 3.466 3.225 3.761 . 0 0 "[ . 1 . 2]" 1
664 1 79 TRP HE1 1 86 CYS HA 4.590 . 4.590 3.051 2.785 3.296 . 0 0 "[ . 1 . 2]" 1
665 1 34 CYS H 1 38 ARG HA 5.500 . 5.500 4.450 4.224 4.798 . 0 0 "[ . 1 . 2]" 1
666 1 33 ASN H 1 34 CYS H 5.090 . 5.090 4.297 4.209 4.409 . 0 0 "[ . 1 . 2]" 1
667 1 34 CYS H 1 39 ASN H 4.460 . 4.460 3.475 3.178 3.896 . 0 0 "[ . 1 . 2]" 1
668 1 34 CYS H 1 40 HIS H 5.100 . 5.100 4.659 4.389 4.783 . 0 0 "[ . 1 . 2]" 1
669 1 34 CYS H 1 40 HIS HD2 5.500 . 5.500 5.590 5.363 5.847 0.347 13 0 "[ . 1 . 2]" 1
670 1 36 ILE H 1 71 PHE HE1 5.090 . 5.090 4.067 3.855 4.400 . 0 0 "[ . 1 . 2]" 1
671 1 36 ILE H 1 38 ARG HA 5.180 . 5.180 4.576 4.297 4.909 . 0 0 "[ . 1 . 2]" 1
672 1 36 ILE H 1 72 HIS QB 5.500 . 5.500 5.480 5.348 5.567 0.067 9 0 "[ . 1 . 2]" 1
673 1 36 ILE H 1 39 ASN H 4.840 . 4.840 5.027 4.952 5.109 0.269 11 0 "[ . 1 . 2]" 1
674 1 38 ARG H 1 39 ASN HB3 5.500 . 5.500 5.257 4.634 5.802 0.302 10 0 "[ . 1 . 2]" 1
675 1 39 ASN H 1 45 CYS HA 4.990 . 4.990 5.117 5.000 5.268 0.278 8 0 "[ . 1 . 2]" 1
676 1 34 CYS HA 1 39 ASN H 5.320 . 5.320 4.930 4.761 5.186 . 0 0 "[ . 1 . 2]" 1
677 1 43 ASP H 1 44 LEU H 4.240 . 4.240 4.247 4.154 4.377 0.137 20 0 "[ . 1 . 2]" 1
678 1 44 LEU H 1 57 SER HA 5.500 . 5.500 4.981 4.216 5.336 . 0 0 "[ . 1 . 2]" 1
679 1 46 ILE H 1 49 GLN H 5.500 . 5.500 5.037 4.755 5.456 . 0 0 "[ . 1 . 2]" 1
680 1 45 CYS HB2 1 49 GLN H 5.110 . 5.110 4.404 4.201 4.720 . 0 0 "[ . 1 . 2]" 1
681 1 49 GLN HG3 1 51 ASN H 5.330 . 5.330 4.712 4.281 5.228 . 0 0 "[ . 1 . 2]" 1
682 1 51 ASN H 1 52 GLN HB2 5.500 . 5.500 5.423 4.847 5.992 0.492 6 0 "[ . 1 . 2]" 1
683 1 47 GLU HB2 1 51 ASN H 4.760 . 4.760 4.928 4.822 5.042 0.282 13 0 "[ . 1 . 2]" 1
684 1 47 GLU HB3 1 51 ASN H 5.240 . 5.240 4.214 3.998 4.396 . 0 0 "[ . 1 . 2]" 1
685 1 51 ASN H 1 51 ASN QD 4.920 . 4.920 3.656 2.124 4.190 . 0 0 "[ . 1 . 2]" 1
686 1 56 THR MG 1 58 GLU H 5.080 . 5.080 2.411 1.844 4.171 . 0 0 "[ . 1 . 2]" 1
687 1 57 SER HB2 1 59 GLU H 5.150 . 5.150 5.154 5.001 5.240 0.090 16 0 "[ . 1 . 2]" 1
688 1 44 LEU MD2 1 59 GLU H 5.050 . 5.050 4.671 4.426 4.898 . 0 0 "[ . 1 . 2]" 1
689 1 60 CYS H 1 72 HIS HE1 5.370 . 5.370 5.437 5.147 5.658 0.288 20 0 "[ . 1 . 2]" 1
690 1 59 GLU QB 1 61 THR H 4.760 . 4.760 4.029 2.938 4.865 0.105 4 0 "[ . 1 . 2]" 1
691 1 61 THR H 1 62 VAL HB 4.970 . 4.970 4.405 4.031 4.723 . 0 0 "[ . 1 . 2]" 1
692 1 62 VAL H 1 72 HIS HD2 5.200 . 5.200 4.904 4.646 5.150 . 0 0 "[ . 1 . 2]" 1
693 1 64 TRP H 1 96 GLN QG 5.450 . 5.450 5.276 4.375 5.506 0.056 3 0 "[ . 1 . 2]" 1
694 1 64 TRP H 1 96 GLN HB3 5.200 . 5.200 3.915 3.381 4.120 . 0 0 "[ . 1 . 2]" 1
695 1 64 TRP H 1 97 LYS H 5.500 . 5.500 3.126 2.765 5.517 0.017 8 0 "[ . 1 . 2]" 1
696 1 64 TRP H 1 95 PHE HD1 5.500 . 5.500 4.423 4.046 5.100 . 0 0 "[ . 1 . 2]" 1
697 1 65 GLY H 1 66 VAL HA 5.350 . 5.350 5.248 5.197 5.294 . 0 0 "[ . 1 . 2]" 1
698 1 65 GLY H 1 69 HIS HB3 5.000 . 5.000 4.279 4.023 4.468 . 0 0 "[ . 1 . 2]" 1
699 1 65 GLY H 1 96 GLN QG 5.500 . 5.500 5.396 5.001 5.682 0.182 17 0 "[ . 1 . 2]" 1
700 1 66 VAL H 1 93 TRP HZ2 5.500 . 5.500 5.467 5.254 5.572 0.072 3 0 "[ . 1 . 2]" 1
701 1 64 TRP HE3 1 70 ALA H 5.080 . 5.080 4.992 4.858 5.098 0.018 10 0 "[ . 1 . 2]" 1
702 1 65 GLY HA3 1 71 PHE H 5.500 . 5.500 5.634 5.583 5.687 0.187 1 0 "[ . 1 . 2]" 1
703 1 76 ILE H 1 80 LEU MD1 5.500 . 5.500 5.371 5.285 5.486 . 0 0 "[ . 1 . 2]" 1
704 1 74 HIS HA 1 78 ARG H 4.730 . 4.730 4.407 4.239 4.614 . 0 0 "[ . 1 . 2]" 1
705 1 36 ILE MG 1 78 ARG H 5.030 . 5.030 4.817 4.532 5.092 0.062 18 0 "[ . 1 . 2]" 1
706 1 76 ILE HA 1 78 ARG H 4.880 . 4.880 4.348 4.249 4.431 . 0 0 "[ . 1 . 2]" 1
707 1 77 SER HB2 1 79 TRP H 5.500 . 5.500 5.091 4.635 5.604 0.104 14 0 "[ . 1 . 2]" 1
708 1 84 GLN H 1 85 VAL MG2 5.090 . 5.090 2.842 2.638 2.984 . 0 0 "[ . 1 . 2]" 1
709 1 86 CYS H 1 91 ARG QG 4.670 . 4.670 4.750 4.073 5.101 0.431 19 0 "[ . 1 . 2]" 1
710 1 86 CYS H 1 87 PRO HD3 4.810 . 4.810 4.734 4.529 4.924 0.114 19 0 "[ . 1 . 2]" 1
711 1 69 HIS HE1 1 89 ASP H 4.950 . 4.950 2.811 1.928 3.583 . 0 0 "[ . 1 . 2]" 1
712 1 93 TRP HZ2 1 95 PHE H 5.500 . 5.500 5.522 5.280 5.611 0.111 13 0 "[ . 1 . 2]" 1
713 1 80 LEU MD1 1 95 PHE H 5.500 . 5.500 5.345 5.028 5.591 0.091 16 0 "[ . 1 . 2]" 1
714 1 93 TRP HZ2 1 96 GLN H 5.040 . 5.040 4.444 4.028 4.616 . 0 0 "[ . 1 . 2]" 1
715 1 50 ALA MB 1 51 ASN HD21 4.890 . 4.890 4.501 2.605 5.103 0.213 1 0 "[ . 1 . 2]" 1
716 1 47 GLU HB3 1 51 ASN HD21 5.040 . 5.040 3.393 2.324 3.631 . 0 0 "[ . 1 . 2]" 1
717 1 47 GLU QG 1 51 ASN HD21 5.490 . 5.490 5.307 4.368 5.621 0.131 11 0 "[ . 1 . 2]" 1
718 1 48 CYS HA 1 51 ASN HD21 4.980 . 4.980 4.149 3.190 4.479 . 0 0 "[ . 1 . 2]" 1
719 1 47 GLU HB3 1 51 ASN HD22 4.930 . 4.930 4.573 2.402 5.196 0.266 11 0 "[ . 1 . 2]" 1
720 1 48 CYS HA 1 51 ASN HD22 4.770 . 4.770 4.967 4.774 5.107 0.337 14 0 "[ . 1 . 2]" 1
721 1 68 ASN H 1 69 HIS H 2.930 . 2.930 2.522 2.471 2.593 . 0 0 "[ . 1 . 2]" 1
722 1 66 VAL H 1 68 ASN H 4.400 . 4.400 4.376 4.173 4.460 0.060 9 0 "[ . 1 . 2]" 1
723 1 79 TRP HE1 1 87 PRO HA 4.640 . 4.640 3.868 3.471 4.282 . 0 0 "[ . 1 . 2]" 1
724 1 79 TRP HE1 1 93 TRP HE3 5.500 . 5.500 5.650 5.563 5.763 0.263 13 0 "[ . 1 . 2]" 1
725 1 36 ILE MG 1 75 CYS H 4.720 . 4.720 4.790 4.704 4.850 0.130 5 0 "[ . 1 . 2]" 1
726 1 71 PHE HE2 1 88 LEU H 5.200 . 5.200 4.854 4.520 5.104 . 0 0 "[ . 1 . 2]" 1
727 1 96 GLN HA 1 97 LYS H 3.600 . 3.600 3.466 2.192 3.578 . 0 0 "[ . 1 . 2]" 1
728 1 97 LYS H 1 97 LYS HB2 3.860 . 3.860 3.246 2.510 4.034 0.174 17 0 "[ . 1 . 2]" 1
729 1 96 GLN QG 1 97 LYS H 3.570 . 3.570 3.378 2.408 3.700 0.130 5 0 "[ . 1 . 2]" 1
730 1 64 TRP H 1 65 GLY HA2 5.340 . 5.340 5.025 4.947 5.109 . 0 0 "[ . 1 . 2]" 1
731 1 65 GLY H 1 71 PHE H 4.670 . 4.670 4.465 4.390 4.523 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLY H 1 71 PHE HD2 4.810 . 4.810 4.851 4.805 4.908 0.098 14 0 "[ . 1 . 2]" 1
733 1 39 ASN HB3 1 40 HIS H 3.900 . 3.900 2.847 1.970 3.671 . 0 0 "[ . 1 . 2]" 1
734 1 36 ILE H 1 37 CYS H 2.860 . 2.860 2.577 2.509 2.665 . 0 0 "[ . 1 . 2]" 1
735 1 46 ILE HG12 1 48 CYS H 3.860 . 3.860 4.095 4.034 4.189 0.329 4 0 "[ . 1 . 2]" 1
736 1 76 ILE QG 1 80 LEU H 5.500 . 5.500 3.735 3.615 3.832 . 0 0 "[ . 1 . 2]" 1
737 1 57 SER HB2 1 58 GLU QB 4.520 . 4.520 4.571 4.357 4.766 0.246 12 0 "[ . 1 . 2]" 1
738 1 46 ILE HA 1 46 ILE HG12 3.700 . 3.700 3.587 3.524 3.681 . 0 0 "[ . 1 . 2]" 1
739 1 36 ILE HA 1 36 ILE MG 2.910 . 2.910 2.364 2.308 2.396 . 0 0 "[ . 1 . 2]" 1
740 1 46 ILE HA 1 46 ILE MG 3.310 . 3.310 2.205 2.147 2.291 . 0 0 "[ . 1 . 2]" 1
741 1 44 LEU HA 1 57 SER HA 4.250 . 4.250 4.327 4.068 4.484 0.234 1 0 "[ . 1 . 2]" 1
742 1 75 CYS HA 1 78 ARG HB2 4.240 . 4.240 3.014 2.704 3.470 . 0 0 "[ . 1 . 2]" 1
743 1 56 THR HA 1 56 THR MG 3.430 . 3.430 2.283 2.223 2.347 . 0 0 "[ . 1 . 2]" 1
744 1 78 ARG HA 1 81 LYS HG2 5.500 . 5.500 4.259 2.175 5.257 . 0 0 "[ . 1 . 2]" 1
745 1 62 VAL HA 1 62 VAL MG2 3.480 . 3.480 2.316 2.257 2.351 . 0 0 "[ . 1 . 2]" 1
746 1 73 PHE HA 1 76 ILE MG 3.100 . 3.100 1.819 1.766 1.923 . 0 0 "[ . 1 . 2]" 1
747 1 29 ILE HA 1 29 ILE MG 3.310 . 3.310 2.364 2.314 2.495 . 0 0 "[ . 1 . 2]" 1
748 1 85 VAL HA 1 92 GLU HA 3.260 . 3.260 2.175 1.940 2.669 . 0 0 "[ . 1 . 2]" 1
749 1 86 CYS HA 1 87 PRO HD2 3.470 . 3.470 2.376 2.101 2.703 . 0 0 "[ . 1 . 2]" 1
750 1 39 ASN HB2 1 45 CYS HA 3.630 . 3.630 3.334 2.800 3.747 0.117 14 0 "[ . 1 . 2]" 1
751 1 86 CYS HA 1 87 PRO HD3 3.580 . 3.580 2.163 1.934 2.404 . 0 0 "[ . 1 . 2]" 1
752 1 84 GLN HA 1 84 GLN HG2 3.960 . 3.960 2.812 2.466 3.649 . 0 0 "[ . 1 . 2]" 1
753 1 84 GLN HA 1 84 GLN HG3 3.940 . 3.940 2.971 2.312 3.676 . 0 0 "[ . 1 . 2]" 1
754 1 91 ARG HA 1 91 ARG QG 3.410 . 3.410 2.747 2.352 3.081 . 0 0 "[ . 1 . 2]" 1
755 1 81 LYS HA 1 81 LYS HG2 3.630 . 3.630 2.903 2.426 3.174 . 0 0 "[ . 1 . 2]" 1
756 1 81 LYS HA 1 81 LYS HG3 3.540 . 3.540 3.032 2.531 3.791 0.251 13 0 "[ . 1 . 2]" 1
757 1 85 VAL HA 1 85 VAL MG1 3.300 . 3.300 2.287 2.244 2.325 . 0 0 "[ . 1 . 2]" 1
758 1 80 LEU MD2 1 84 GLN HA 3.760 . 3.760 2.961 2.498 3.539 . 0 0 "[ . 1 . 2]" 1
759 1 44 LEU MD1 1 49 GLN HA 3.680 . 3.680 1.807 1.646 1.973 . 0 0 "[ . 1 . 2]" 1
760 1 33 ASN HA 1 40 HIS HA 3.200 . 3.200 2.447 2.189 2.622 . 0 0 "[ . 1 . 2]" 1
761 1 85 VAL HB 1 90 ASN HA 3.300 . 3.300 2.304 2.081 2.549 . 0 0 "[ . 1 . 2]" 1
762 1 83 ARG HA 1 83 ARG HG2 3.700 . 3.700 3.053 2.953 3.121 . 0 0 "[ . 1 . 2]" 1
763 1 85 VAL MG2 1 90 ASN HA 3.280 . 3.280 2.641 2.233 3.017 . 0 0 "[ . 1 . 2]" 1
764 1 47 GLU HB3 1 47 GLU HG3 3.020 . 3.020 2.903 2.562 3.003 . 0 0 "[ . 1 . 2]" 1
765 1 63 ALA MB 1 95 PHE HE1 3.480 . 3.480 2.608 2.231 3.451 . 0 0 "[ . 1 . 2]" 1
766 1 63 ALA MB 1 73 PHE HD1 3.530 . 3.530 2.003 1.902 2.140 . 0 0 "[ . 1 . 2]" 1
767 1 63 ALA MB 1 73 PHE HA 3.260 . 3.260 2.509 2.310 2.759 . 0 0 "[ . 1 . 2]" 1
768 1 44 LEU MD1 1 57 SER HB3 4.240 . 4.240 2.143 1.915 2.412 . 0 0 "[ . 1 . 2]" 1
769 1 63 ALA MB 1 73 PHE HB2 3.640 . 3.640 2.153 1.956 2.384 . 0 0 "[ . 1 . 2]" 1
770 1 44 LEU HB2 1 44 LEU MD1 3.480 . 3.480 2.229 2.098 2.293 . 0 0 "[ . 1 . 2]" 1
771 1 44 LEU HB3 1 44 LEU MD1 3.410 . 3.410 2.490 2.424 2.562 . 0 0 "[ . 1 . 2]" 1
772 1 80 LEU HB3 1 80 LEU MD1 3.380 . 3.380 2.421 2.395 2.459 . 0 0 "[ . 1 . 2]" 1
773 1 88 LEU HB2 1 88 LEU MD1 3.310 . 3.310 2.313 2.264 2.371 . 0 0 "[ . 1 . 2]" 1
774 1 71 PHE H 1 76 ILE MG 4.550 . 4.550 4.592 4.471 4.680 0.130 7 0 "[ . 1 . 2]" 1
775 1 61 THR HA 1 61 THR MG 3.260 . 3.260 2.311 2.196 2.411 . 0 0 "[ . 1 . 2]" 1
776 1 44 LEU HA 1 44 LEU MD2 2.910 . 2.910 2.096 2.050 2.143 . 0 0 "[ . 1 . 2]" 1
777 1 62 VAL HA 1 62 VAL MG1 3.250 . 3.250 3.207 3.177 3.224 . 0 0 "[ . 1 . 2]" 1
778 1 80 LEU HA 1 80 LEU MD2 3.130 . 3.130 1.994 1.951 2.039 . 0 0 "[ . 1 . 2]" 1
779 1 82 THR HA 1 82 THR MG 3.380 . 3.380 2.809 2.274 3.231 . 0 0 "[ . 1 . 2]" 1
780 1 66 VAL QG 1 96 GLN HA 3.350 . 3.350 2.078 1.938 2.674 . 0 0 "[ . 1 . 2]" 1
781 1 31 VAL HA 1 31 VAL MG1 3.270 . 3.270 2.300 2.199 2.434 . 0 0 "[ . 1 . 2]" 1
782 1 31 VAL HA 1 31 VAL MG2 3.480 . 3.480 2.901 2.386 3.222 . 0 0 "[ . 1 . 2]" 1
783 1 85 VAL MG1 1 92 GLU HA 3.640 . 3.640 2.260 2.018 2.912 . 0 0 "[ . 1 . 2]" 1
784 1 88 LEU HA 1 88 LEU MD2 3.150 . 3.150 2.177 2.118 2.245 . 0 0 "[ . 1 . 2]" 1
785 1 44 LEU MD2 1 60 CYS HB3 4.010 . 4.010 4.029 3.860 4.198 0.188 18 0 "[ . 1 . 2]" 1
786 1 44 LEU MD2 1 48 CYS HB2 3.350 . 3.350 3.322 2.916 3.478 0.128 19 0 "[ . 1 . 2]" 1
787 1 63 ALA MB 1 76 ILE MG 3.280 . 3.280 2.345 2.101 2.883 . 0 0 "[ . 1 . 2]" 1
788 1 44 LEU HB3 1 44 LEU MD2 3.250 . 3.250 2.213 2.176 2.263 . 0 0 "[ . 1 . 2]" 1
789 1 80 LEU HB2 1 80 LEU MD2 3.660 . 3.660 3.210 3.189 3.224 . 0 0 "[ . 1 . 2]" 1
790 1 66 VAL QG 1 94 GLU QB 2.900 . 2.900 2.337 2.167 2.477 . 0 0 "[ . 1 . 2]" 1
791 1 66 VAL QG 1 96 GLN HB3 3.500 . 3.500 3.624 3.553 3.691 0.191 3 0 "[ . 1 . 2]" 1
792 1 35 ALA MB 1 88 LEU MD2 3.280 . 3.280 2.372 2.074 2.898 . 0 0 "[ . 1 . 2]" 1
793 1 88 LEU HB3 1 88 LEU MD2 3.270 . 3.270 2.420 2.365 2.492 . 0 0 "[ . 1 . 2]" 1
794 1 31 VAL MG1 1 70 ALA MB 3.540 . 3.540 2.815 2.173 3.432 . 0 0 "[ . 1 . 2]" 1
795 1 62 VAL MG2 1 70 ALA MB 3.700 . 3.700 3.389 3.172 3.576 . 0 0 "[ . 1 . 2]" 1
796 1 41 ILE MD 1 62 VAL MG1 4.600 . 4.600 4.203 3.890 4.504 . 0 0 "[ . 1 . 2]" 1
797 1 41 ILE MD 1 70 ALA MB 3.590 . 3.590 1.952 1.807 2.323 . 0 0 "[ . 1 . 2]" 1
798 1 76 ILE MD 1 76 ILE MG 3.620 . 3.620 3.231 3.217 3.242 . 0 0 "[ . 1 . 2]" 1
799 1 37 CYS HB2 1 46 ILE MG 3.080 . 3.080 1.967 1.808 2.219 . 0 0 "[ . 1 . 2]" 1
800 1 32 ASP QB 1 41 ILE MG 4.040 . 4.040 2.829 2.223 3.806 . 0 0 "[ . 1 . 2]" 1
801 1 47 GLU QB 1 50 ALA MB 3.690 . 3.690 3.703 3.362 3.871 0.181 7 0 "[ . 1 . 2]" 1
802 1 46 ILE HG12 1 46 ILE MG 3.470 . 3.470 2.518 2.399 2.630 . 0 0 "[ . 1 . 2]" 1
803 1 46 ILE HG13 1 46 ILE MG 3.100 . 3.100 3.188 3.120 3.215 0.115 1 0 "[ . 1 . 2]" 1
804 1 83 ARG HB2 1 85 VAL MG2 4.010 . 4.010 4.098 4.030 4.166 0.156 4 0 "[ . 1 . 2]" 1
805 1 41 ILE HG12 1 41 ILE MG 3.620 . 3.620 2.293 2.241 2.338 . 0 0 "[ . 1 . 2]" 1
806 1 35 ALA MB 1 88 LEU MD1 4.150 . 4.150 3.210 2.630 3.873 . 0 0 "[ . 1 . 2]" 1
807 1 41 ILE HG13 1 41 ILE MG 3.250 . 3.250 2.456 2.386 2.534 . 0 0 "[ . 1 . 2]" 1
808 1 46 ILE HA 1 46 ILE MD 4.130 . 4.130 4.159 4.137 4.179 0.049 13 0 "[ . 1 . 2]" 1
809 1 37 CYS HB2 1 46 ILE MD 3.950 . 3.950 3.093 2.387 3.741 . 0 0 "[ . 1 . 2]" 1
810 1 37 CYS HB3 1 46 ILE MD 4.140 . 4.140 3.254 2.758 3.755 . 0 0 "[ . 1 . 2]" 1
811 1 76 ILE HA 1 76 ILE MD 3.390 . 3.390 2.038 2.000 2.072 . 0 0 "[ . 1 . 2]" 1
812 1 46 ILE HB 1 46 ILE MD 3.260 . 3.260 2.461 2.413 2.498 . 0 0 "[ . 1 . 2]" 1
813 1 41 ILE HB 1 41 ILE MD 3.580 . 3.580 2.325 2.277 2.424 . 0 0 "[ . 1 . 2]" 1
814 1 76 ILE HB 1 76 ILE MD 3.350 . 3.350 2.384 2.349 2.414 . 0 0 "[ . 1 . 2]" 1
815 1 41 ILE MD 1 41 ILE MG 3.330 . 3.330 3.216 3.200 3.242 . 0 0 "[ . 1 . 2]" 1
816 1 36 ILE MD 1 36 ILE MG 3.400 . 3.400 1.976 1.911 2.046 . 0 0 "[ . 1 . 2]" 1
817 1 36 ILE MD 1 76 ILE MD 3.530 . 3.530 2.114 1.983 2.216 . 0 0 "[ . 1 . 2]" 1
818 1 66 VAL HA 1 96 GLN HB3 4.590 . 4.590 4.018 3.762 4.260 . 0 0 "[ . 1 . 2]" 1
819 1 41 ILE MD 1 62 VAL HA 5.190 . 5.190 4.398 4.057 4.834 . 0 0 "[ . 1 . 2]" 1
820 1 36 ILE MD 1 75 CYS HA 4.960 . 4.960 3.978 3.861 4.242 . 0 0 "[ . 1 . 2]" 1
821 1 75 CYS HA 1 78 ARG HG3 5.500 . 5.500 3.691 2.850 5.270 . 0 0 "[ . 1 . 2]" 1
822 1 75 CYS HA 1 78 ARG HG2 4.930 . 4.930 3.909 3.057 5.089 0.159 17 0 "[ . 1 . 2]" 1
823 1 77 SER HA 1 80 LEU QB 4.040 . 4.040 2.626 2.406 2.892 . 0 0 "[ . 1 . 2]" 1
824 1 77 SER HA 1 80 LEU MD1 3.850 . 3.850 2.700 2.387 3.026 . 0 0 "[ . 1 . 2]" 1
825 1 65 GLY HA2 1 66 VAL HA 4.920 . 4.920 4.350 4.320 4.394 . 0 0 "[ . 1 . 2]" 1
826 1 65 GLY HA3 1 66 VAL HA 5.070 . 5.070 4.784 4.746 4.823 . 0 0 "[ . 1 . 2]" 1
827 1 36 ILE HA 1 36 ILE HG13 4.050 . 4.050 3.006 2.961 3.042 . 0 0 "[ . 1 . 2]" 1
828 1 48 CYS HA 1 50 ALA MB 5.500 . 5.500 4.967 4.776 5.155 . 0 0 "[ . 1 . 2]" 1
829 1 48 CYS HA 1 53 ALA MB 5.500 . 5.500 3.968 2.669 5.679 0.179 9 0 "[ . 1 . 2]" 1
830 1 47 GLU HB3 1 48 CYS HA 4.830 . 4.830 4.429 4.205 4.585 . 0 0 "[ . 1 . 2]" 1
831 1 48 CYS HA 1 51 ASN HB3 3.990 . 3.990 2.436 1.861 4.038 0.048 12 0 "[ . 1 . 2]" 1
832 1 46 ILE HA 1 47 GLU HG2 5.430 . 5.430 5.384 4.646 5.640 0.210 16 0 "[ . 1 . 2]" 1
833 1 46 ILE HA 1 49 GLN HG3 5.500 . 5.500 4.334 3.503 5.211 . 0 0 "[ . 1 . 2]" 1
834 1 46 ILE HA 1 49 GLN HG2 5.340 . 5.340 4.140 3.275 4.941 . 0 0 "[ . 1 . 2]" 1
835 1 37 CYS HB2 1 46 ILE HA 4.650 . 4.650 4.024 3.175 4.788 0.138 11 0 "[ . 1 . 2]" 1
836 1 77 SER HB2 1 78 ARG HG2 5.500 . 5.500 4.644 3.379 5.969 0.469 6 0 "[ . 1 . 2]" 1
837 1 34 CYS HB3 1 41 ILE HA 5.060 . 5.060 4.690 4.346 5.060 . 19 0 "[ . 1 . 2]" 1
838 1 33 ASN HA 1 41 ILE HA 4.930 . 4.930 3.374 2.527 4.161 . 0 0 "[ . 1 . 2]" 1
839 1 40 HIS HD2 1 41 ILE HA 5.500 . 5.500 5.188 4.000 5.813 0.313 18 0 "[ . 1 . 2]" 1
840 1 41 ILE HA 1 41 ILE HG13 4.250 . 4.250 3.016 2.837 3.182 . 0 0 "[ . 1 . 2]" 1
841 1 79 TRP HA 1 83 ARG HG2 4.170 . 4.170 4.263 3.987 4.399 0.229 15 0 "[ . 1 . 2]" 1
842 1 57 SER HA 1 60 CYS HB2 5.460 . 5.460 4.681 4.185 5.012 . 0 0 "[ . 1 . 2]" 1
843 1 76 ILE HA 1 79 TRP HB2 4.040 . 4.040 2.917 2.760 3.068 . 0 0 "[ . 1 . 2]" 1
844 1 61 THR MG 1 74 HIS HA 4.850 . 4.850 4.412 3.264 4.926 0.076 16 0 "[ . 1 . 2]" 1
845 1 95 PHE HA 1 95 PHE HE1 5.190 . 5.190 4.833 4.729 4.898 . 0 0 "[ . 1 . 2]" 1
846 1 78 ARG HA 1 78 ARG HD2 5.170 . 5.170 3.129 2.046 4.834 . 0 0 "[ . 1 . 2]" 1
847 1 78 ARG HA 1 78 ARG HD3 5.390 . 5.390 3.445 1.959 4.825 . 0 0 "[ . 1 . 2]" 1
848 1 34 CYS HA 1 41 ILE MD 4.490 . 4.490 3.866 3.625 4.205 . 0 0 "[ . 1 . 2]" 1
849 1 34 CYS HA 1 71 PHE HA 4.180 . 4.180 2.784 2.540 3.181 . 0 0 "[ . 1 . 2]" 1
850 1 34 CYS HA 1 71 PHE HD1 4.220 . 4.220 2.773 2.511 3.222 . 0 0 "[ . 1 . 2]" 1
851 1 44 LEU HB3 1 49 GLN HA 4.550 . 4.550 2.667 2.219 3.215 . 0 0 "[ . 1 . 2]" 1
852 1 85 VAL HA 1 93 TRP HB3 4.870 . 4.870 3.716 3.477 3.985 . 0 0 "[ . 1 . 2]" 1
853 1 80 LEU MD2 1 93 TRP HA 4.520 . 4.520 4.508 4.424 4.584 0.064 10 0 "[ . 1 . 2]" 1
854 1 93 TRP HA 1 94 GLU QB 5.150 . 5.150 4.326 4.220 4.489 . 0 0 "[ . 1 . 2]" 1
855 1 92 GLU QB 1 93 TRP HA 5.390 . 5.390 4.790 4.298 4.946 . 0 0 "[ . 1 . 2]" 1
856 1 53 ALA MB 1 54 SER HA 4.870 . 4.870 4.241 3.863 4.551 . 0 0 "[ . 1 . 2]" 1
857 1 39 ASN HB3 1 45 CYS HA 4.900 . 4.900 3.108 2.640 3.467 . 0 0 "[ . 1 . 2]" 1
858 1 66 VAL QG 1 67 CYS HA 4.400 . 4.400 3.717 3.579 3.822 . 0 0 "[ . 1 . 2]" 1
859 1 92 GLU HA 1 92 GLU HG2 4.180 . 4.180 3.106 2.416 3.828 . 0 0 "[ . 1 . 2]" 1
860 1 86 CYS HA 1 93 TRP HE3 3.980 . 3.980 3.269 2.945 3.658 . 0 0 "[ . 1 . 2]" 1
861 1 64 TRP HA 1 70 ALA HA 3.720 . 3.720 2.429 2.322 2.574 . 0 0 "[ . 1 . 2]" 1
862 1 88 LEU HA 1 88 LEU HG 4.120 . 4.120 3.303 3.225 3.371 . 0 0 "[ . 1 . 2]" 1
863 1 52 GLN HA 1 52 GLN HG2 3.980 . 3.980 3.029 2.515 3.802 . 0 0 "[ . 1 . 2]" 1
864 1 52 GLN HA 1 53 ALA MB 4.580 . 4.580 4.198 3.920 4.864 0.284 18 0 "[ . 1 . 2]" 1
865 1 41 ILE MD 1 71 PHE HA 4.010 . 4.010 3.022 2.778 3.413 . 0 0 "[ . 1 . 2]" 1
866 1 83 ARG HA 1 83 ARG HD3 4.030 . 4.030 2.122 1.954 3.303 . 0 0 "[ . 1 . 2]" 1
867 1 35 ALA HA 1 38 ARG QD 4.510 . 4.510 4.194 2.187 4.846 0.336 2 0 "[ . 1 . 2]" 1
868 1 50 ALA MB 1 51 ASN HA 4.420 . 4.420 3.787 3.661 3.953 . 0 0 "[ . 1 . 2]" 1
869 1 63 ALA HA 1 98 TYR HA 4.010 . 4.010 2.736 1.903 4.173 0.163 7 0 "[ . 1 . 2]" 1
870 1 62 VAL HA 1 63 ALA HA 4.700 . 4.700 4.401 4.352 4.445 . 0 0 "[ . 1 . 2]" 1
871 1 63 ALA HA 1 64 TRP HD1 5.500 . 5.500 4.970 4.749 5.188 . 0 0 "[ . 1 . 2]" 1
872 1 63 ALA HA 1 73 PHE HD1 5.500 . 5.500 4.438 4.196 4.751 . 0 0 "[ . 1 . 2]" 1
873 1 62 VAL MG2 1 63 ALA HA 4.650 . 4.650 3.642 3.479 3.786 . 0 0 "[ . 1 . 2]" 1
874 1 63 ALA HA 1 64 TRP HB2 5.500 . 5.500 4.702 4.607 4.784 . 0 0 "[ . 1 . 2]" 1
875 1 63 ALA HA 1 98 TYR HB2 5.500 . 5.500 4.046 2.148 5.542 0.042 14 0 "[ . 1 . 2]" 1
876 1 76 ILE MD 1 87 PRO HD2 4.380 . 4.380 3.555 3.357 3.858 . 0 0 "[ . 1 . 2]" 1
877 1 62 VAL MG2 1 70 ALA HA 4.940 . 4.940 4.320 4.128 4.508 . 0 0 "[ . 1 . 2]" 1
878 1 71 PHE HB2 1 76 ILE HB 4.290 . 4.290 2.234 2.159 2.309 . 0 0 "[ . 1 . 2]" 1
879 1 71 PHE HB3 1 76 ILE HB 4.040 . 4.040 2.707 2.619 2.784 . 0 0 "[ . 1 . 2]" 1
880 1 9 ALA HA 1 10 GLY HA3 5.410 . 5.410 4.519 4.276 5.202 . 0 0 "[ . 1 . 2]" 1
881 1 99 GLY QA 1 100 HIS HA . . 5.020 3.927 3.868 4.079 . 0 0 "[ . 1 . 2]" 1
882 1 44 LEU HB3 1 49 GLN HG3 4.990 . 4.990 4.203 3.540 4.975 . 0 0 "[ . 1 . 2]" 1
883 1 83 ARG HA 1 83 ARG HD2 4.540 . 4.540 3.168 2.994 3.926 . 0 0 "[ . 1 . 2]" 1
884 1 83 ARG HB3 1 83 ARG HD2 4.200 . 4.200 2.512 2.380 3.596 . 0 0 "[ . 1 . 2]" 1
885 1 83 ARG HB3 1 83 ARG HD3 4.220 . 4.220 2.880 2.337 3.014 . 0 0 "[ . 1 . 2]" 1
886 1 83 ARG HD3 1 85 VAL MG2 4.540 . 4.540 4.241 2.987 4.541 0.001 12 0 "[ . 1 . 2]" 1
887 1 77 SER HA 1 80 LEU HB2 4.990 . 4.990 2.650 2.424 2.925 . 0 0 "[ . 1 . 2]" 1
888 1 78 ARG HA 1 81 LYS HE2 5.500 . 5.500 4.169 1.974 5.657 0.157 2 0 "[ . 1 . 2]" 1
889 1 78 ARG HA 1 81 LYS HE3 5.500 . 5.500 4.471 2.523 5.614 0.114 1 0 "[ . 1 . 2]" 1
890 1 81 LYS QB 1 81 LYS HE2 4.730 . 4.730 3.611 2.046 4.216 . 0 0 "[ . 1 . 2]" 1
891 1 81 LYS QB 1 81 LYS HE3 5.080 . 5.080 3.548 2.010 4.278 . 0 0 "[ . 1 . 2]" 1
892 1 81 LYS HE2 1 81 LYS HG3 4.220 . 4.220 3.125 2.399 4.245 0.025 16 0 "[ . 1 . 2]" 1
893 1 28 ASP QB 1 29 ILE HA 4.880 . 4.880 4.516 4.125 4.835 . 0 0 "[ . 1 . 2]" 1
894 1 33 ASN HB2 1 40 HIS HA 5.160 . 5.160 4.220 2.270 5.161 0.001 14 0 "[ . 1 . 2]" 1
895 1 61 THR MG 1 73 PHE HB2 4.850 . 4.850 4.385 3.693 4.710 . 0 0 "[ . 1 . 2]" 1
896 1 73 PHE HB3 1 76 ILE MG 5.030 . 5.030 4.327 4.227 4.466 . 0 0 "[ . 1 . 2]" 1
897 1 63 ALA MB 1 73 PHE HB3 4.250 . 4.250 3.691 3.528 3.889 . 0 0 "[ . 1 . 2]" 1
898 1 85 VAL HB 1 90 ASN HB3 4.780 . 4.780 4.327 3.763 4.906 0.126 10 0 "[ . 1 . 2]" 1
899 1 85 VAL MG2 1 90 ASN HB3 4.840 . 4.840 3.947 3.148 4.908 0.068 9 0 "[ . 1 . 2]" 1
900 1 85 VAL MG1 1 90 ASN HB3 5.420 . 5.420 4.424 3.756 5.195 . 0 0 "[ . 1 . 2]" 1
901 1 85 VAL MG1 1 90 ASN HB2 5.270 . 5.270 5.267 4.957 5.432 0.162 1 0 "[ . 1 . 2]" 1
902 1 62 VAL MG1 1 73 PHE HB2 5.150 . 5.150 4.698 4.544 4.941 . 0 0 "[ . 1 . 2]" 1
903 1 85 VAL MG2 1 90 ASN HB2 5.500 . 5.500 4.594 4.054 5.221 . 0 0 "[ . 1 . 2]" 1
904 1 86 CYS HB2 1 90 ASN HB2 5.280 . 5.280 5.348 5.146 5.495 0.215 13 0 "[ . 1 . 2]" 1
905 1 36 ILE HB 1 75 CYS HA 5.060 . 5.060 4.288 4.167 4.379 . 0 0 "[ . 1 . 2]" 1
906 1 36 ILE HB 1 37 CYS HB3 5.110 . 5.110 4.099 3.917 4.237 . 0 0 "[ . 1 . 2]" 1
907 1 36 ILE HB 1 75 CYS HB2 4.250 . 4.250 2.650 2.521 2.728 . 0 0 "[ . 1 . 2]" 1
908 1 32 ASP HA 1 41 ILE HB 5.360 . 5.360 2.336 1.985 2.873 . 0 0 "[ . 1 . 2]" 1
909 1 71 PHE H 1 76 ILE HB 4.660 . 4.660 4.771 4.719 4.814 0.154 17 0 "[ . 1 . 2]" 1
910 1 71 PHE HD2 1 76 ILE HB 4.780 . 4.780 3.823 3.644 3.957 . 0 0 "[ . 1 . 2]" 1
911 1 71 PHE HD1 1 76 ILE HB 5.370 . 5.370 4.914 4.700 5.086 . 0 0 "[ . 1 . 2]" 1
912 1 73 PHE HA 1 76 ILE HB 5.120 . 5.120 3.944 3.842 4.170 . 0 0 "[ . 1 . 2]" 1
913 1 36 ILE MD 1 76 ILE HB 4.690 . 4.690 2.760 2.634 2.903 . 0 0 "[ . 1 . 2]" 1
914 1 47 GLU HA 1 47 GLU HG2 4.030 . 4.030 2.623 2.438 3.031 . 0 0 "[ . 1 . 2]" 1
915 1 47 GLU HA 1 47 GLU HG3 4.160 . 4.160 3.300 2.976 3.813 . 0 0 "[ . 1 . 2]" 1
916 1 46 ILE MG 1 47 GLU HG3 4.910 . 4.910 4.429 3.891 5.402 0.492 13 0 "[ . 1 . 2]" 1
917 1 46 ILE MD 1 47 GLU HG2 5.390 . 5.390 3.635 2.507 4.335 . 0 0 "[ . 1 . 2]" 1
918 1 85 VAL HB 1 90 ASN HB2 5.060 . 5.060 4.862 4.659 5.114 0.054 1 0 "[ . 1 . 2]" 1
919 1 85 VAL HB 1 92 GLU HA 5.050 . 5.050 3.897 3.603 4.619 . 0 0 "[ . 1 . 2]" 1
920 1 66 VAL HA 1 96 GLN QG 4.280 . 4.280 3.393 2.541 3.961 . 0 0 "[ . 1 . 2]" 1
921 1 64 TRP HB2 1 96 GLN QG 4.620 . 4.620 3.295 2.806 3.508 . 0 0 "[ . 1 . 2]" 1
922 1 66 VAL QG 1 96 GLN QG 4.100 . 4.100 3.100 2.156 3.507 . 0 0 "[ . 1 . 2]" 1
923 1 44 LEU MD1 1 49 GLN HG3 4.510 . 4.510 4.433 4.006 4.638 0.128 17 0 "[ . 1 . 2]" 1
924 1 49 GLN HG3 1 50 ALA MB 5.500 . 5.500 3.682 2.893 4.379 . 0 0 "[ . 1 . 2]" 1
925 1 44 LEU HB2 1 49 GLN HG3 5.500 . 5.500 4.747 4.090 5.492 . 0 0 "[ . 1 . 2]" 1
926 1 49 GLN HG3 1 50 ALA HA 5.390 . 5.390 4.584 3.668 5.424 0.034 18 0 "[ . 1 . 2]" 1
927 1 44 LEU HB2 1 49 GLN HG2 4.470 . 4.470 4.104 3.716 4.454 . 0 0 "[ . 1 . 2]" 1
928 1 44 LEU HB3 1 49 GLN HG2 4.620 . 4.620 3.954 3.467 4.448 . 0 0 "[ . 1 . 2]" 1
929 1 72 HIS QB 1 74 HIS QB 4.340 . 4.340 2.656 2.435 2.844 . 0 0 "[ . 1 . 2]" 1
930 1 37 CYS HB2 1 46 ILE HG12 4.150 . 4.150 2.584 2.139 3.269 . 0 0 "[ . 1 . 2]" 1
931 1 69 HIS HB2 1 93 TRP HH2 4.780 . 4.780 4.265 3.999 4.483 . 0 0 "[ . 1 . 2]" 1
932 1 64 TRP HB3 1 96 GLN HB2 4.590 . 4.590 4.166 4.047 4.266 . 0 0 "[ . 1 . 2]" 1
933 1 69 HIS HB2 1 88 LEU MD1 4.860 . 4.860 4.845 4.533 5.013 0.153 18 0 "[ . 1 . 2]" 1
934 1 69 HIS HB3 1 93 TRP HH2 4.810 . 4.810 3.960 3.636 4.176 . 0 0 "[ . 1 . 2]" 1
935 1 69 HIS HB3 1 88 LEU MD1 4.220 . 4.220 3.922 3.550 4.121 . 0 0 "[ . 1 . 2]" 1
936 1 85 VAL HB 1 86 CYS HB2 5.360 . 5.360 3.960 3.781 4.169 . 0 0 "[ . 1 . 2]" 1
937 1 86 CYS HB3 1 89 ASP H 3.710 . 3.710 2.053 1.851 2.695 . 0 0 "[ . 1 . 2]" 1
938 1 86 CYS HB3 1 87 PRO HG2 5.420 . 5.420 4.613 4.103 5.170 . 0 0 "[ . 1 . 2]" 1
939 1 34 CYS HB2 1 41 ILE MD 5.450 . 5.450 3.657 3.148 3.880 . 0 0 "[ . 1 . 2]" 1
940 1 33 ASN HA 1 40 HIS HB2 5.010 . 5.010 4.944 4.729 5.067 0.057 8 0 "[ . 1 . 2]" 1
941 1 41 ILE HG12 1 42 MET HB3 4.620 . 4.620 4.653 4.255 4.813 0.193 16 0 "[ . 1 . 2]" 1
942 1 41 ILE MG 1 42 MET HB3 4.810 . 4.810 3.022 2.501 4.187 . 0 0 "[ . 1 . 2]" 1
943 1 34 CYS HB3 1 41 ILE MD 5.340 . 5.340 5.064 4.605 5.287 . 0 0 "[ . 1 . 2]" 1
944 1 41 ILE MD 1 42 MET HB3 4.660 . 4.660 4.688 3.908 5.011 0.351 4 0 "[ . 1 . 2]" 1
945 1 41 ILE HG13 1 42 MET HB3 5.010 . 5.010 3.393 2.875 3.666 . 0 0 "[ . 1 . 2]" 1
946 1 91 ARG HB3 1 91 ARG HD2 4.080 . 4.080 3.104 2.290 3.920 . 0 0 "[ . 1 . 2]" 1
947 1 65 GLY HA2 1 96 GLN HB2 4.780 . 4.780 3.493 3.043 3.639 . 0 0 "[ . 1 . 2]" 1
948 1 66 VAL QG 1 96 GLN HB2 4.650 . 4.650 2.426 2.254 2.540 . 0 0 "[ . 1 . 2]" 1
949 1 64 TRP HB2 1 96 GLN HB3 4.730 . 4.730 2.037 1.858 2.259 . 0 0 "[ . 1 . 2]" 1
950 1 91 ARG HB3 1 91 ARG HD3 4.020 . 4.020 3.143 2.354 4.145 0.125 17 0 "[ . 1 . 2]" 1
951 1 79 TRP HD1 1 93 TRP HB3 4.450 . 4.450 4.516 4.454 4.576 0.126 6 0 "[ . 1 . 2]" 1
952 1 80 LEU MD2 1 93 TRP HB3 3.990 . 3.990 2.005 1.950 2.066 . 0 0 "[ . 1 . 2]" 1
953 1 80 LEU MD2 1 93 TRP HB2 3.950 . 3.950 2.901 2.813 3.011 . 0 0 "[ . 1 . 2]" 1
954 1 85 VAL HA 1 93 TRP HB2 4.860 . 4.860 3.753 3.437 3.954 . 0 0 "[ . 1 . 2]" 1
955 1 79 TRP HD1 1 93 TRP HB2 4.300 . 4.300 4.452 4.391 4.543 0.243 18 0 "[ . 1 . 2]" 1
956 1 44 LEU HB3 1 48 CYS HB2 4.350 . 4.350 3.045 2.731 3.346 . 0 0 "[ . 1 . 2]" 1
957 1 36 ILE MG 1 75 CYS HB3 3.630 . 3.630 2.038 1.978 2.136 . 0 0 "[ . 1 . 2]" 1
958 1 66 VAL HB 1 67 CYS HB2 5.480 . 5.480 5.034 4.022 5.688 0.208 7 0 "[ . 1 . 2]" 1
959 1 36 ILE MG 1 79 TRP HB2 4.120 . 4.120 2.617 2.235 3.052 . 0 0 "[ . 1 . 2]" 1
960 1 72 HIS HB3 1 75 CYS HB2 4.620 . 4.620 3.560 3.439 3.636 . 0 0 "[ . 1 . 2]" 1
961 1 71 PHE HB3 1 72 HIS HB3 5.130 . 5.130 5.320 5.261 5.384 0.254 16 0 "[ . 1 . 2]" 1
962 1 72 HIS HB2 1 75 CYS HB2 4.370 . 4.370 2.244 2.185 2.293 . 0 0 "[ . 1 . 2]" 1
963 1 72 HIS HB2 1 75 CYS HB3 4.860 . 4.860 3.706 3.637 3.768 . 0 0 "[ . 1 . 2]" 1
964 1 71 PHE HD1 1 75 CYS HB2 5.500 . 5.500 4.882 4.750 5.023 . 0 0 "[ . 1 . 2]" 1
965 1 78 ARG H 1 79 TRP HB3 5.500 . 5.500 4.574 4.419 4.699 . 0 0 "[ . 1 . 2]" 1
966 1 76 ILE HA 1 79 TRP HB3 4.190 . 4.190 2.124 2.001 2.237 . 0 0 "[ . 1 . 2]" 1
967 1 84 GLN HB3 1 85 VAL MG1 4.370 . 4.370 3.452 3.126 3.953 . 0 0 "[ . 1 . 2]" 1
968 1 78 ARG HA 1 81 LYS HD2 5.210 . 5.210 3.829 2.212 5.313 0.103 8 0 "[ . 1 . 2]" 1
969 1 81 LYS HA 1 81 LYS HD3 5.500 . 5.500 4.024 2.006 4.886 . 0 0 "[ . 1 . 2]" 1
970 1 97 LYS HA 1 97 LYS QD 5.140 . 5.140 3.500 1.985 4.258 . 0 0 "[ . 1 . 2]" 1
971 1 76 ILE QG 1 80 LEU HG . . 4.820 2.198 2.104 2.281 . 0 0 "[ . 1 . 2]" 1
972 1 76 ILE QG 1 93 TRP HH2 5.040 . 5.040 3.732 3.590 3.892 . 0 0 "[ . 1 . 2]" 1
973 1 76 ILE QG 1 80 LEU MD1 4.000 . 4.000 1.993 1.935 2.103 . 0 0 "[ . 1 . 2]" 1
974 1 76 ILE QG 1 80 LEU MD2 4.660 . 4.660 3.114 2.998 3.230 . 0 0 "[ . 1 . 2]" 1
975 1 41 ILE HG13 1 70 ALA MB 4.940 . 4.940 3.832 3.683 4.110 . 0 0 "[ . 1 . 2]" 1
976 1 41 ILE HG13 1 62 VAL MG2 4.470 . 4.470 2.460 2.140 2.874 . 0 0 "[ . 1 . 2]" 1
977 1 41 ILE HG12 1 64 TRP HZ2 5.500 . 5.500 5.586 5.488 5.690 0.190 15 0 "[ . 1 . 2]" 1
978 1 41 ILE HG12 1 64 TRP HH2 5.060 . 5.060 3.206 3.084 3.324 . 0 0 "[ . 1 . 2]" 1
979 1 36 ILE HA 1 36 ILE HG12 4.070 . 4.070 2.474 2.443 2.506 . 0 0 "[ . 1 . 2]" 1
980 1 32 ASP QB 1 41 ILE QG 5.500 . 5.500 4.533 3.893 5.073 . 0 0 "[ . 1 . 2]" 1
981 1 45 CYS HB2 1 46 ILE HG13 4.460 . 4.460 3.719 3.391 4.510 0.050 11 0 "[ . 1 . 2]" 1
982 1 38 ARG HA 1 38 ARG HG2 4.200 . 4.200 3.045 2.377 3.758 . 0 0 "[ . 1 . 2]" 1
983 1 60 CYS HB3 1 72 HIS HE1 5.430 . 5.430 4.738 4.617 4.930 . 0 0 "[ . 1 . 2]" 1
984 1 69 HIS HD2 1 88 LEU HG 5.290 . 5.290 5.279 4.734 5.467 0.177 7 0 "[ . 1 . 2]" 1
985 1 80 LEU MD1 1 93 TRP HH2 5.430 . 5.430 5.611 5.461 5.696 0.266 17 0 "[ . 1 . 2]" 1
986 1 80 LEU HA 1 80 LEU MD1 4.520 . 4.520 3.792 3.767 3.817 . 0 0 "[ . 1 . 2]" 1
987 1 80 LEU MD1 1 93 TRP HB3 5.200 . 5.200 3.609 3.463 3.761 . 0 0 "[ . 1 . 2]" 1
988 1 71 PHE HE1 1 87 PRO HG2 4.810 . 4.810 2.986 2.733 3.310 . 0 0 "[ . 1 . 2]" 1
989 1 87 PRO HG2 1 88 LEU HG 4.850 . 4.850 2.907 2.124 3.822 . 0 0 "[ . 1 . 2]" 1
990 1 36 ILE MD 1 87 PRO HG2 4.320 . 4.320 3.538 2.607 4.374 0.054 13 0 "[ . 1 . 2]" 1
991 1 88 LEU MD1 1 89 ASP HB2 5.360 . 5.360 5.371 4.449 5.564 0.204 17 0 "[ . 1 . 2]" 1
992 1 36 ILE HG13 1 87 PRO QG 4.870 . 4.870 3.341 3.037 3.614 . 0 0 "[ . 1 . 2]" 1
993 1 36 ILE MD 1 87 PRO QG 4.400 . 4.400 2.728 2.455 3.212 . 0 0 "[ . 1 . 2]" 1
994 1 76 ILE MD 1 87 PRO QG 4.960 . 4.960 3.219 2.824 3.718 . 0 0 "[ . 1 . 2]" 1
995 1 44 LEU MD1 1 49 GLN HG2 4.250 . 4.250 4.282 3.838 4.531 0.281 17 0 "[ . 1 . 2]" 1
996 1 63 ALA MB 1 93 TRP HH2 4.240 . 4.240 3.824 3.468 4.348 0.108 5 0 "[ . 1 . 2]" 1
997 1 63 ALA MB 1 98 TYR HA 4.760 . 4.760 3.048 2.205 4.611 . 0 0 "[ . 1 . 2]" 1
998 1 63 ALA MB 1 76 ILE H 5.500 . 5.500 5.011 4.701 5.533 0.033 5 0 "[ . 1 . 2]" 1
999 1 63 ALA MB 1 97 LYS H 5.500 . 5.500 4.422 3.989 5.590 0.090 7 0 "[ . 1 . 2]" 1
1000 1 63 ALA MB 1 98 TYR HB2 4.630 . 4.630 3.275 2.528 4.870 0.240 5 0 "[ . 1 . 2]" 1
1001 1 62 VAL MG1 1 64 TRP HE3 5.030 . 5.030 4.939 4.600 5.078 0.048 6 0 "[ . 1 . 2]" 1
1002 1 62 VAL MG1 1 70 ALA MB 5.360 . 5.360 5.154 4.791 5.341 . 0 0 "[ . 1 . 2]" 1
1003 1 69 HIS HD2 1 88 LEU MD2 5.500 . 5.500 5.511 5.297 5.617 0.117 7 0 "[ . 1 . 2]" 1
1004 1 71 PHE HE1 1 88 LEU MD2 5.200 . 5.200 3.034 2.439 3.280 . 0 0 "[ . 1 . 2]" 1
1005 1 84 GLN HB2 1 85 VAL MG1 4.570 . 4.570 2.922 2.422 3.798 . 0 0 "[ . 1 . 2]" 1
1006 1 62 VAL MG2 1 72 HIS HD2 4.920 . 4.920 3.134 2.445 3.552 . 0 0 "[ . 1 . 2]" 1
1007 1 62 VAL MG2 1 64 TRP HH2 4.560 . 4.560 2.711 2.475 3.043 . 0 0 "[ . 1 . 2]" 1
1008 1 41 ILE HG12 1 62 VAL MG2 4.180 . 4.180 3.441 3.149 3.822 . 0 0 "[ . 1 . 2]" 1
1009 1 70 ALA MB 1 93 TRP HH2 5.120 . 5.120 4.939 4.688 5.135 0.015 17 0 "[ . 1 . 2]" 1
1010 1 64 TRP HH2 1 70 ALA MB 4.480 . 4.480 4.143 4.004 4.247 . 0 0 "[ . 1 . 2]" 1
1011 1 64 TRP HA 1 70 ALA MB 4.300 . 4.300 3.317 3.168 3.632 . 0 0 "[ . 1 . 2]" 1
1012 1 41 ILE HG12 1 70 ALA MB 4.910 . 4.910 2.950 2.646 3.300 . 0 0 "[ . 1 . 2]" 1
1013 1 76 ILE MG 1 95 PHE HE1 3.790 . 3.790 2.377 2.075 2.779 . 0 0 "[ . 1 . 2]" 1
1014 1 76 ILE MG 1 93 TRP HH2 4.310 . 4.310 4.118 3.939 4.343 0.033 12 0 "[ . 1 . 2]" 1
1015 1 73 PHE HD1 1 76 ILE MG 3.800 . 3.800 3.142 2.937 3.398 . 0 0 "[ . 1 . 2]" 1
1016 1 71 PHE HB2 1 76 ILE MG 4.360 . 4.360 3.236 3.104 3.330 . 0 0 "[ . 1 . 2]" 1
1017 1 76 ILE MG 1 77 SER HB3 4.930 . 4.930 4.556 4.142 4.850 . 0 0 "[ . 1 . 2]" 1
1018 1 73 PHE HB2 1 76 ILE MG 4.490 . 4.490 3.825 3.658 3.967 . 0 0 "[ . 1 . 2]" 1
1019 1 40 HIS HE1 1 41 ILE MG 4.720 . 4.720 3.603 2.687 4.795 0.075 15 0 "[ . 1 . 2]" 1
1020 1 33 ASN HA 1 41 ILE MG 4.660 . 4.660 3.996 3.573 4.253 . 0 0 "[ . 1 . 2]" 1
1021 1 32 ASP HA 1 41 ILE MG 4.240 . 4.240 2.720 2.313 3.160 . 0 0 "[ . 1 . 2]" 1
1022 1 33 ASN H 1 35 ALA MB 5.490 . 5.490 5.460 5.185 5.652 0.162 5 0 "[ . 1 . 2]" 1
1023 1 46 ILE MG 1 47 GLU HG2 4.700 . 4.700 4.727 3.880 5.082 0.382 7 0 "[ . 1 . 2]" 1
1024 1 36 ILE MG 1 37 CYS HB3 4.410 . 4.410 3.881 3.691 4.117 . 0 0 "[ . 1 . 2]" 1
1025 1 37 CYS HA 1 46 ILE MD 4.180 . 4.180 3.030 2.358 3.895 . 0 0 "[ . 1 . 2]" 1
1026 1 29 ILE HA 1 29 ILE MD 4.310 . 4.310 4.040 1.885 4.203 . 0 0 "[ . 1 . 2]" 1
1027 1 29 ILE MD 1 30 VAL HA 4.910 . 4.910 5.000 4.825 5.322 0.412 14 0 "[ . 1 . 2]" 1
1028 1 41 ILE MD 1 71 PHE H 4.900 . 4.900 3.325 2.999 3.709 . 0 0 "[ . 1 . 2]" 1
1029 1 41 ILE MD 1 64 TRP HH2 4.760 . 4.760 3.683 3.368 3.895 . 0 0 "[ . 1 . 2]" 1
1030 1 41 ILE MD 1 42 MET HA 3.950 . 3.950 4.146 4.020 4.365 0.415 15 0 "[ . 1 . 2]" 1
1031 1 32 ASP QB 1 41 ILE MD 4.550 . 4.550 4.841 4.600 4.993 0.443 3 0 "[ . 1 . 2]" 1
1032 1 41 ILE MD 1 72 HIS HD2 5.190 . 5.190 3.988 3.587 4.246 . 0 0 "[ . 1 . 2]" 1
1033 1 36 ILE MD 1 76 ILE HA 3.780 . 3.780 2.051 1.916 2.168 . 0 0 "[ . 1 . 2]" 1
1034 1 36 ILE MD 1 75 CYS HB2 4.200 . 4.200 2.504 2.357 2.718 . 0 0 "[ . 1 . 2]" 1
1035 1 36 ILE MD 1 79 TRP HB3 4.440 . 4.440 2.766 2.513 2.979 . 0 0 "[ . 1 . 2]" 1
1036 1 36 ILE MD 1 75 CYS HB3 4.080 . 4.080 2.780 2.605 3.111 . 0 0 "[ . 1 . 2]" 1
1037 1 41 ILE MD 1 62 VAL HB 4.620 . 4.620 4.122 3.934 4.652 0.032 12 0 "[ . 1 . 2]" 1
1038 1 76 ILE MD 1 93 TRP HE3 4.700 . 4.700 3.384 3.261 3.575 . 0 0 "[ . 1 . 2]" 1
1039 1 76 ILE MD 1 93 TRP HH2 4.260 . 4.260 4.140 3.981 4.259 . 0 0 "[ . 1 . 2]" 1
1040 1 76 ILE MD 1 86 CYS HA 4.570 . 4.570 3.634 3.398 3.819 . 0 0 "[ . 1 . 2]" 1
1041 1 76 ILE MD 1 79 TRP HB2 3.920 . 3.920 3.305 3.114 3.473 . 0 0 "[ . 1 . 2]" 1
1042 1 76 ILE MD 1 87 PRO HD3 4.090 . 4.090 2.896 2.605 3.305 . 0 0 "[ . 1 . 2]" 1
1043 1 76 ILE MD 1 80 LEU HG 4.810 . 4.810 2.852 2.732 2.972 . 0 0 "[ . 1 . 2]" 1
1044 1 76 ILE MD 1 80 LEU MD2 3.950 . 3.950 2.935 2.790 3.110 . 0 0 "[ . 1 . 2]" 1
1045 1 76 ILE MD 1 80 LEU MD1 4.250 . 4.250 3.098 2.967 3.241 . 0 0 "[ . 1 . 2]" 1
1046 1 76 ILE MD 1 87 PRO HG2 4.560 . 4.560 3.978 3.214 4.630 0.070 13 0 "[ . 1 . 2]" 1
1047 1 56 THR HB 1 59 GLU HG2 5.500 . 5.500 3.388 2.942 3.812 . 0 0 "[ . 1 . 2]" 1
1048 1 56 THR HB 1 59 GLU HG3 5.500 . 5.500 2.727 2.086 3.097 . 0 0 "[ . 1 . 2]" 1
1049 1 56 THR HB 1 58 GLU HB2 5.500 . 5.500 5.331 3.439 5.746 0.246 8 0 "[ . 1 . 2]" 1
1050 1 56 THR HB 1 59 GLU HB3 5.500 . 5.500 5.146 4.632 5.616 0.116 18 0 "[ . 1 . 2]" 1
1051 1 66 VAL HA 1 96 GLN HB2 4.080 . 4.080 2.370 2.071 2.694 . 0 0 "[ . 1 . 2]" 1
1052 1 46 ILE HA 1 46 ILE HG13 4.240 . 4.240 3.790 3.635 3.841 . 0 0 "[ . 1 . 2]" 1
1053 1 62 VAL MG1 1 72 HIS HA 4.700 . 4.700 4.624 4.400 4.713 0.013 9 0 "[ . 1 . 2]" 1
1054 1 62 VAL MG2 1 72 HIS HA 4.660 . 4.660 2.751 2.396 3.061 . 0 0 "[ . 1 . 2]" 1
1055 1 86 CYS HB3 1 93 TRP HA 5.450 . 5.450 5.502 5.246 5.684 0.234 18 0 "[ . 1 . 2]" 1
1056 1 49 GLN HA 1 49 GLN HG3 3.940 . 3.940 3.663 3.554 3.801 . 0 0 "[ . 1 . 2]" 1
1057 1 49 GLN HA 1 49 GLN HG2 4.210 . 4.210 3.980 3.580 4.222 0.012 3 0 "[ . 1 . 2]" 1
1058 1 88 LEU HA 1 88 LEU MD1 4.620 . 4.620 3.877 3.852 3.904 . 0 0 "[ . 1 . 2]" 1
1059 1 44 LEU HA 1 44 LEU HG 4.000 . 4.000 2.883 2.829 2.955 . 0 0 "[ . 1 . 2]" 1
1060 1 66 VAL QG 1 94 GLU QG 4.110 . 4.110 3.869 3.273 4.061 . 0 0 "[ . 1 . 2]" 1
1061 1 78 ARG H 1 79 TRP HB2 5.070 . 5.070 4.982 4.826 5.081 0.011 12 0 "[ . 1 . 2]" 1
1062 1 62 VAL MG2 1 63 ALA MB 4.900 . 4.900 4.007 3.950 4.136 . 0 0 "[ . 1 . 2]" 1
1063 1 36 ILE MD 1 79 TRP HA 5.500 . 5.500 4.402 4.204 4.639 . 0 0 "[ . 1 . 2]" 1
1064 1 87 PRO HD2 1 89 ASP H 4.720 . 4.720 4.077 3.908 4.341 . 0 0 "[ . 1 . 2]" 1
1065 1 87 PRO HD3 1 89 ASP H 5.050 . 5.050 5.248 5.154 5.377 0.327 13 0 "[ . 1 . 2]" 1
1066 1 71 PHE HE2 1 87 PRO HD3 5.260 . 5.260 4.464 3.945 5.112 . 0 0 "[ . 1 . 2]" 1
1067 1 79 TRP HD1 1 87 PRO HD3 5.060 . 5.060 3.329 3.067 3.555 . 0 0 "[ . 1 . 2]" 1
1068 1 80 LEU MD2 1 87 PRO HD3 5.390 . 5.390 4.623 4.468 4.879 . 0 0 "[ . 1 . 2]" 1
1069 1 79 TRP HZ2 1 83 ARG HG3 5.500 . 5.500 3.105 2.801 3.392 . 0 0 "[ . 1 . 2]" 1
1070 1 35 ALA MB 1 71 PHE HE1 4.730 . 4.730 2.320 1.922 3.011 . 0 0 "[ . 1 . 2]" 1
1071 1 35 ALA MB 1 71 PHE HD1 4.000 . 4.000 3.463 3.033 3.971 . 0 0 "[ . 1 . 2]" 1
1072 1 79 TRP HZ2 1 87 PRO HB3 5.080 . 5.080 3.344 2.822 3.722 . 0 0 "[ . 1 . 2]" 1
1073 1 71 PHE HE1 1 87 PRO HB2 5.350 . 5.350 4.109 3.298 4.991 . 0 0 "[ . 1 . 2]" 1
1074 1 71 PHE HD2 1 76 ILE QG 5.310 . 5.310 3.649 3.491 3.787 . 0 0 "[ . 1 . 2]" 1
1075 1 76 ILE QG 1 93 TRP HZ2 5.500 . 5.500 2.936 2.789 3.036 . 0 0 "[ . 1 . 2]" 1
1076 1 76 ILE QG 1 79 TRP HD1 . . 4.980 3.351 3.232 3.522 . 0 0 "[ . 1 . 2]" 1
1077 1 42 MET HB3 1 64 TRP HH2 4.120 . 4.120 3.960 2.677 4.253 0.133 14 0 "[ . 1 . 2]" 1
1078 1 41 ILE HA 1 41 ILE MD 3.200 . 3.200 1.994 1.929 2.093 . 0 0 "[ . 1 . 2]" 1
1079 1 85 VAL HB 1 86 CYS HB3 5.500 . 5.500 5.412 5.257 5.529 0.029 8 0 "[ . 1 . 2]" 1
1080 1 64 TRP HB2 1 96 GLN HB2 4.160 . 4.160 3.571 3.325 3.796 . 0 0 "[ . 1 . 2]" 1
1081 1 79 TRP HZ2 1 83 ARG HB2 5.140 . 5.140 3.915 3.634 4.217 . 0 0 "[ . 1 . 2]" 1
1082 1 86 CYS HB3 1 91 ARG HB2 5.500 . 5.500 5.098 4.427 5.632 0.132 3 0 "[ . 1 . 2]" 1
1083 1 86 CYS HB2 1 91 ARG HB2 5.070 . 5.070 3.725 3.340 4.293 . 0 0 "[ . 1 . 2]" 1
1084 1 65 GLY HA2 1 66 VAL QG 5.020 . 5.020 3.529 3.425 3.622 . 0 0 "[ . 1 . 2]" 1
1085 1 65 GLY HA3 1 66 VAL QG 5.140 . 5.140 4.509 4.426 4.596 . 0 0 "[ . 1 . 2]" 1
1086 1 65 GLY HA3 1 93 TRP HZ2 4.970 . 4.970 4.155 3.870 4.361 . 0 0 "[ . 1 . 2]" 1
1087 1 65 GLY HA2 1 93 TRP HE3 5.100 . 5.100 5.016 4.810 5.160 0.060 14 0 "[ . 1 . 2]" 1
1088 1 65 GLY HA3 1 93 TRP HH2 4.440 . 4.440 2.894 2.685 3.080 . 0 0 "[ . 1 . 2]" 1
1089 1 65 GLY HA3 1 93 TRP HE3 4.730 . 4.730 4.135 3.931 4.247 . 0 0 "[ . 1 . 2]" 1
1090 1 76 ILE HA 1 80 LEU HG 5.500 . 5.500 3.802 3.731 3.949 . 0 0 "[ . 1 . 2]" 1
1091 1 76 ILE HA 1 80 LEU MD1 5.270 . 5.270 4.241 4.178 4.348 . 0 0 "[ . 1 . 2]" 1
1092 1 94 GLU HA 1 94 GLU QG 3.750 . 3.750 2.431 2.368 2.829 . 0 0 "[ . 1 . 2]" 1
1093 1 42 MET HA 1 42 MET QG 3.530 . 3.530 2.841 2.467 3.537 0.007 5 0 "[ . 1 . 2]" 1
1094 1 62 VAL HA 1 72 HIS HA 3.250 . 3.250 1.994 1.882 2.071 . 0 0 "[ . 1 . 2]" 1
1095 1 44 LEU HB2 1 57 SER HB3 5.500 . 5.500 5.267 4.882 5.503 0.003 11 0 "[ . 1 . 2]" 1
1096 1 44 LEU HB2 1 49 GLN HA 4.800 . 4.800 3.535 2.572 4.322 . 0 0 "[ . 1 . 2]" 1
1097 1 79 TRP HD1 1 80 LEU HB3 5.220 . 5.220 4.993 4.794 5.085 . 0 0 "[ . 1 . 2]" 1
1098 1 36 ILE MD 1 71 PHE HB3 5.030 . 5.030 2.341 2.157 2.595 . 0 0 "[ . 1 . 2]" 1
1099 1 71 PHE HB3 1 76 ILE MD 4.920 . 4.920 3.434 3.306 3.563 . 0 0 "[ . 1 . 2]" 1
1100 1 71 PHE HB3 1 76 ILE MG 3.880 . 3.880 3.968 3.903 4.022 0.142 14 0 "[ . 1 . 2]" 1
1101 1 76 ILE MG 1 80 LEU MD1 4.070 . 4.070 2.688 2.602 2.835 . 0 0 "[ . 1 . 2]" 1
1102 1 76 ILE MG 1 80 LEU HB3 5.490 . 5.490 5.594 5.543 5.702 0.212 17 0 "[ . 1 . 2]" 1
1103 1 76 ILE MG 1 80 LEU HG 5.500 . 5.500 3.946 3.845 4.051 . 0 0 "[ . 1 . 2]" 1
1104 1 71 PHE HB2 1 76 ILE MD 4.020 . 4.020 2.964 2.841 3.086 . 0 0 "[ . 1 . 2]" 1
1105 1 76 ILE MD 1 79 TRP HB3 3.990 . 3.990 2.347 2.180 2.519 . 0 0 "[ . 1 . 2]" 1
1106 1 86 CYS HA 1 87 PRO QG 4.950 . 4.950 3.874 3.786 3.951 . 0 0 "[ . 1 . 2]" 1
1107 1 65 GLY HA3 1 70 ALA H 5.440 . 5.440 5.363 5.052 5.501 0.061 14 0 "[ . 1 . 2]" 1
1108 1 40 HIS HD2 1 41 ILE MG 5.500 . 5.500 3.120 1.807 4.129 . 0 0 "[ . 1 . 2]" 1
1109 1 41 ILE MG 1 64 TRP HH2 5.500 . 5.500 3.975 3.721 4.283 . 0 0 "[ . 1 . 2]" 1
1110 1 50 ALA MB 1 51 ASN HB2 4.390 . 4.390 3.925 3.726 4.345 . 0 0 "[ . 1 . 2]" 1
1111 1 51 ASN HB3 1 53 ALA MB 4.240 . 4.240 3.660 2.278 4.274 0.034 15 0 "[ . 1 . 2]" 1
1112 1 98 TYR HA 1 99 GLY QA 5.500 . 5.500 4.001 3.805 4.242 . 0 0 "[ . 1 . 2]" 1
1113 1 98 TYR QD 1 99 GLY QA 5.330 . 5.330 3.696 3.196 4.660 . 0 0 "[ . 1 . 2]" 1
1114 1 79 TRP HZ2 1 83 ARG HD2 4.930 . 4.930 4.133 3.588 4.421 . 0 0 "[ . 1 . 2]" 1
1115 1 78 ARG HB3 1 78 ARG HD2 3.930 . 3.930 3.068 2.354 3.767 . 0 0 "[ . 1 . 2]" 1
1116 1 78 ARG HB3 1 78 ARG HD3 3.960 . 3.960 3.275 2.305 3.758 . 0 0 "[ . 1 . 2]" 1
1117 1 38 ARG HA 1 38 ARG QD 4.610 . 4.610 3.560 1.967 4.146 . 0 0 "[ . 1 . 2]" 1
1118 1 86 CYS HB2 1 89 ASP HB2 4.790 . 4.790 1.965 1.786 2.618 . 0 0 "[ . 1 . 2]" 1
1119 1 51 ASN HB2 1 53 ALA MB 5.500 . 5.500 4.719 2.999 5.583 0.083 15 0 "[ . 1 . 2]" 1
1120 1 48 CYS HA 1 51 ASN HB2 3.260 . 3.260 2.461 2.062 2.896 . 0 0 "[ . 1 . 2]" 1
1121 1 35 ALA MB 1 38 ARG HA 4.380 . 4.380 4.346 4.081 4.501 0.121 5 0 "[ . 1 . 2]" 1
1122 1 97 LYS HA 1 97 LYS QE 5.410 . 5.410 4.296 1.868 5.584 0.174 8 0 "[ . 1 . 2]" 1
1123 1 66 VAL HA 1 96 GLN HA 4.650 . 4.650 4.019 3.665 4.776 0.126 8 0 "[ . 1 . 2]" 1
1124 1 64 TRP HB2 1 65 GLY HA2 5.500 . 5.500 4.607 4.541 4.674 . 0 0 "[ . 1 . 2]" 1
1125 1 64 TRP HB3 1 65 GLY HA2 5.500 . 5.500 4.833 4.782 4.928 . 0 0 "[ . 1 . 2]" 1
1126 1 64 TRP HB2 1 66 VAL HA 5.500 . 5.500 5.578 5.361 5.708 0.208 14 0 "[ . 1 . 2]" 1
1127 1 64 TRP HB3 1 96 GLN HB3 5.040 . 5.040 3.152 2.942 3.451 . 0 0 "[ . 1 . 2]" 1
1128 1 64 TRP HB3 1 96 GLN QG 5.010 . 5.010 3.952 3.637 4.293 . 0 0 "[ . 1 . 2]" 1
1129 1 44 LEU MD2 1 57 SER HA 3.840 . 3.840 1.928 1.858 2.064 . 0 0 "[ . 1 . 2]" 1
1130 1 44 LEU MD2 1 57 SER HB2 3.860 . 3.860 3.864 3.433 4.154 0.294 12 0 "[ . 1 . 2]" 1
1131 1 70 ALA MB 1 71 PHE HA 5.500 . 5.500 4.019 3.999 4.077 . 0 0 "[ . 1 . 2]" 1
1132 1 32 ASP QB 1 40 HIS HD2 4.960 . 4.960 4.056 3.221 5.064 0.104 11 0 "[ . 1 . 2]" 1
1133 1 32 ASP QB 1 40 HIS HE1 5.230 . 5.230 4.787 3.760 5.432 0.202 12 0 "[ . 1 . 2]" 1
1134 1 32 ASP QB 1 41 ILE HB 5.000 . 5.000 3.588 3.306 4.099 . 0 0 "[ . 1 . 2]" 1
1135 1 31 VAL MG1 1 69 HIS HA 5.340 . 5.340 2.086 1.857 2.536 . 0 0 "[ . 1 . 2]" 1
1136 1 69 HIS HA 1 88 LEU MD1 5.080 . 5.080 4.402 4.206 4.677 . 0 0 "[ . 1 . 2]" 1
1137 1 69 HIS HA 1 70 ALA MB 5.010 . 5.010 3.789 3.704 3.844 . 0 0 "[ . 1 . 2]" 1
1138 1 95 PHE QB 1 96 GLN HA 4.680 . 4.680 4.340 3.997 4.525 . 0 0 "[ . 1 . 2]" 1
1139 1 86 CYS HB2 1 87 PRO HD3 5.500 . 5.500 4.750 4.523 5.022 . 0 0 "[ . 1 . 2]" 1
1140 1 36 ILE MD 1 87 PRO HD2 5.290 . 5.290 4.342 4.143 4.556 . 0 0 "[ . 1 . 2]" 1
1141 1 36 ILE MD 1 87 PRO HD3 5.500 . 5.500 3.874 3.607 4.148 . 0 0 "[ . 1 . 2]" 1
1142 1 36 ILE HG13 1 71 PHE HB3 5.500 . 5.500 3.535 3.316 3.815 . 0 0 "[ . 1 . 2]" 1
1143 1 36 ILE MD 1 71 PHE HB2 4.950 . 4.950 3.322 3.145 3.566 . 0 0 "[ . 1 . 2]" 1
1144 1 71 PHE HE1 1 87 PRO QG 5.500 . 5.500 2.907 2.627 3.269 . 0 0 "[ . 1 . 2]" 1
1145 1 79 TRP HD1 1 83 ARG HB3 5.460 . 5.460 4.920 4.598 5.224 . 0 0 "[ . 1 . 2]" 1
1146 1 80 LEU HA 1 83 ARG HB3 5.350 . 5.350 4.623 4.413 4.881 . 0 0 "[ . 1 . 2]" 1
1147 1 37 CYS HA 1 46 ILE MG 3.920 . 3.920 3.012 2.183 3.625 . 0 0 "[ . 1 . 2]" 1
1148 1 36 ILE HB 1 75 CYS HB3 3.900 . 3.900 1.965 1.863 2.055 . 0 0 "[ . 1 . 2]" 1
1149 1 44 LEU HB3 1 48 CYS HB3 4.270 . 4.270 3.600 3.095 4.084 . 0 0 "[ . 1 . 2]" 1
1150 1 44 LEU MD2 1 60 CYS HB2 4.140 . 4.140 2.538 2.391 2.710 . 0 0 "[ . 1 . 2]" 1
1151 1 57 SER HA 1 60 CYS QB 4.690 . 4.690 4.524 4.079 4.794 0.104 8 0 "[ . 1 . 2]" 1
1152 1 66 VAL HA 1 66 VAL QG 2.910 . 2.910 2.158 2.143 2.178 . 0 0 "[ . 1 . 2]" 1
1153 1 48 CYS HB2 1 60 CYS HB2 5.080 . 5.080 3.688 3.166 4.253 . 0 0 "[ . 1 . 2]" 1
1154 1 36 ILE MG 1 75 CYS HB2 4.310 . 4.310 3.254 3.188 3.341 . 0 0 "[ . 1 . 2]" 1
1155 1 36 ILE MG 1 79 TRP HB3 4.620 . 4.620 3.823 3.411 4.208 . 0 0 "[ . 1 . 2]" 1
1156 1 84 GLN HB3 1 85 VAL MG2 4.480 . 4.480 4.699 4.624 4.798 0.318 19 0 "[ . 1 . 2]" 1
1157 1 36 ILE MD 1 79 TRP HE3 5.200 . 5.200 4.099 3.687 4.364 . 0 0 "[ . 1 . 2]" 1
1158 1 32 ASP QB 1 41 ILE HA 5.500 . 5.500 5.576 5.244 6.110 0.610 11 2 "[- . 1+ . 2]" 1
1159 1 33 ASN HA 1 41 ILE HB 4.520 . 4.520 3.286 2.603 3.739 . 0 0 "[ . 1 . 2]" 1
1160 1 33 ASN HB2 1 35 ALA MB 5.500 . 5.500 4.976 4.306 5.704 0.204 18 0 "[ . 1 . 2]" 1
1161 1 33 ASN HB3 1 40 HIS HA 4.860 . 4.860 3.604 2.530 4.956 0.096 18 0 "[ . 1 . 2]" 1
1162 1 81 LYS QB 1 82 THR MG 4.030 . 4.030 3.157 2.474 3.955 . 0 0 "[ . 1 . 2]" 1
1163 1 56 THR HA 1 59 GLU HG2 5.500 . 5.500 5.552 5.345 5.684 0.184 20 0 "[ . 1 . 2]" 1
1164 1 56 THR HA 1 59 GLU HG3 5.500 . 5.500 5.481 5.002 5.701 0.201 20 0 "[ . 1 . 2]" 1
1165 1 56 THR HA 1 58 GLU HB2 5.500 . 5.500 5.155 3.934 5.619 0.119 9 0 "[ . 1 . 2]" 1
1166 1 56 THR HA 1 58 GLU HB3 5.500 . 5.500 4.970 4.252 5.672 0.172 12 0 "[ . 1 . 2]" 1
1167 1 56 THR MG 1 58 GLU HB2 4.810 . 4.810 3.218 2.708 4.842 0.032 4 0 "[ . 1 . 2]" 1
1168 1 56 THR MG 1 58 GLU HB3 5.320 . 5.320 2.548 1.848 5.157 . 0 0 "[ . 1 . 2]" 1
1169 1 56 THR MG 1 59 GLU HG2 4.940 . 4.940 2.571 2.058 4.049 . 0 0 "[ . 1 . 2]" 1
1170 1 56 THR MG 1 59 GLU HG3 5.290 . 5.290 2.918 2.527 3.834 . 0 0 "[ . 1 . 2]" 1
1171 1 36 ILE MD 1 79 TRP HB2 4.240 . 4.240 2.224 2.003 2.460 . 0 0 "[ . 1 . 2]" 1
1172 1 89 ASP HB3 1 91 ARG QG 5.030 . 5.030 2.397 1.761 3.894 . 0 0 "[ . 1 . 2]" 1
1173 1 81 LYS HA 1 82 THR MG 5.330 . 5.330 4.893 4.536 5.167 . 0 0 "[ . 1 . 2]" 1
1174 1 86 CYS HA 1 87 PRO HG2 5.230 . 5.230 4.396 4.292 4.550 . 0 0 "[ . 1 . 2]" 1
1175 1 86 CYS HA 1 87 PRO HB2 5.500 . 5.500 5.348 5.027 5.561 0.061 1 0 "[ . 1 . 2]" 1
1176 1 86 CYS HA 1 93 TRP HB3 4.380 . 4.380 4.383 4.171 4.524 0.144 13 0 "[ . 1 . 2]" 1
1177 1 85 VAL MG1 1 86 CYS HA 5.500 . 5.500 5.609 5.569 5.641 0.141 7 0 "[ . 1 . 2]" 1
1178 1 86 CYS HA 1 87 PRO HB3 5.500 . 5.500 5.235 4.926 5.552 0.052 5 0 "[ . 1 . 2]" 1
1179 1 57 SER HA 1 60 CYS HA 4.200 . 4.200 3.888 3.530 4.264 0.064 6 0 "[ . 1 . 2]" 1
1180 1 58 GLU HA 1 58 GLU HG2 3.720 . 3.720 3.443 2.459 3.797 0.077 1 0 "[ . 1 . 2]" 1
1181 1 58 GLU HA 1 58 GLU HG3 3.850 . 3.850 2.850 2.436 3.677 . 0 0 "[ . 1 . 2]" 1
1182 1 96 GLN HA 1 96 GLN QG 3.120 . 3.120 2.728 2.454 3.005 . 0 0 "[ . 1 . 2]" 1
1183 1 63 ALA MB 1 93 TRP HZ2 3.560 . 3.560 2.805 2.489 3.391 . 0 0 "[ . 1 . 2]" 1
1184 1 76 ILE MG 1 93 TRP HZ2 4.000 . 4.000 3.034 2.918 3.237 . 0 0 "[ . 1 . 2]" 1
1185 1 93 TRP HZ2 1 95 PHE HE1 4.040 . 4.040 3.312 2.995 3.935 . 0 0 "[ . 1 . 2]" 1
1186 1 93 TRP HZ2 1 95 PHE HD1 3.930 . 3.930 2.927 2.633 3.229 . 0 0 "[ . 1 . 2]" 1
1187 1 60 CYS QB 1 72 HIS HE1 4.320 . 4.320 4.446 4.380 4.527 0.207 10 0 "[ . 1 . 2]" 1
1188 1 69 HIS HE1 1 89 ASP HA 4.280 . 4.280 3.666 3.022 4.479 0.199 8 0 "[ . 1 . 2]" 1
1189 1 69 HIS HE1 1 89 ASP HB2 3.440 . 3.440 2.739 1.866 3.379 . 0 0 "[ . 1 . 2]" 1
1190 1 69 HIS HE1 1 89 ASP HB3 3.820 . 3.820 3.907 3.441 4.220 0.400 16 0 "[ . 1 . 2]" 1
1191 1 69 HIS HE1 1 88 LEU HB2 3.460 . 3.460 2.428 2.145 2.950 . 0 0 "[ . 1 . 2]" 1
1192 1 69 HIS HE1 1 88 LEU HG 4.420 . 4.420 4.483 4.191 4.676 0.256 6 0 "[ . 1 . 2]" 1
1193 1 69 HIS HE1 1 88 LEU MD1 4.170 . 4.170 3.417 3.158 3.879 . 0 0 "[ . 1 . 2]" 1
1194 1 95 PHE HA 1 95 PHE HD1 3.710 . 3.710 2.819 2.666 2.917 . 0 0 "[ . 1 . 2]" 1
1195 1 95 PHE HB2 1 95 PHE HD1 3.560 . 3.560 3.644 3.625 3.670 0.110 14 0 "[ . 1 . 2]" 1
1196 1 95 PHE HB3 1 95 PHE HD2 3.430 . 3.430 3.551 3.518 3.577 0.147 4 0 "[ . 1 . 2]" 1
1197 1 63 ALA MB 1 95 PHE HD1 3.570 . 3.570 2.229 1.940 2.771 . 0 0 "[ . 1 . 2]" 1
1198 1 97 LYS HA 1 98 TYR QD 4.390 . 4.390 3.738 3.212 4.576 0.186 7 0 "[ . 1 . 2]" 1
1199 1 98 TYR HB2 1 98 TYR QD 3.300 . 3.300 2.378 2.252 2.463 . 0 0 "[ . 1 . 2]" 1
1200 1 98 TYR HB3 1 98 TYR QD 3.300 . 3.300 2.416 2.242 2.508 . 0 0 "[ . 1 . 2]" 1
1201 1 71 PHE HA 1 71 PHE HD1 3.850 . 3.850 2.924 2.807 3.012 . 0 0 "[ . 1 . 2]" 1
1202 1 71 PHE HB2 1 71 PHE HD2 3.570 . 3.570 2.327 2.297 2.360 . 0 0 "[ . 1 . 2]" 1
1203 1 71 PHE HB3 1 71 PHE HD1 3.600 . 3.600 2.569 2.501 2.621 . 0 0 "[ . 1 . 2]" 1
1204 1 36 ILE HG13 1 71 PHE HD1 4.170 . 4.170 2.399 2.159 2.594 . 0 0 "[ . 1 . 2]" 1
1205 1 36 ILE MD 1 71 PHE HD1 4.190 . 4.190 2.996 2.793 3.170 . 0 0 "[ . 1 . 2]" 1
1206 1 71 PHE HD2 1 76 ILE MD 4.170 . 4.170 2.844 2.722 2.974 . 0 0 "[ . 1 . 2]" 1
1207 1 80 LEU MD1 1 95 PHE HE2 4.340 . 4.340 2.615 2.432 3.180 . 0 0 "[ . 1 . 2]" 1
1208 1 80 LEU MD1 1 95 PHE HE1 4.940 . 4.940 3.552 3.211 3.736 . 0 0 "[ . 1 . 2]" 1
1209 1 73 PHE HD1 1 95 PHE HE1 4.130 . 4.130 2.372 2.168 2.792 . 0 0 "[ . 1 . 2]" 1
1210 1 73 PHE HA 1 73 PHE HD1 3.820 . 3.820 2.692 2.616 2.753 . 0 0 "[ . 1 . 2]" 1
1211 1 71 PHE HE2 1 87 PRO HD2 4.330 . 4.330 3.276 2.973 3.681 . 0 0 "[ . 1 . 2]" 1
1212 1 71 PHE HE2 1 88 LEU HG 4.210 . 4.210 4.284 4.050 4.366 0.156 12 0 "[ . 1 . 2]" 1
1213 1 71 PHE HE1 1 88 LEU HG 4.600 . 4.600 2.992 2.842 3.182 . 0 0 "[ . 1 . 2]" 1
1214 1 71 PHE HE1 1 88 LEU HB3 5.500 . 5.500 5.692 5.594 5.796 0.296 20 0 "[ . 1 . 2]" 1
1215 1 71 PHE HE2 1 88 LEU MD1 4.470 . 4.470 3.779 3.590 3.997 . 0 0 "[ . 1 . 2]" 1
1216 1 71 PHE HE1 1 88 LEU MD1 4.720 . 4.720 2.750 2.458 2.977 . 0 0 "[ . 1 . 2]" 1
1217 1 79 TRP HD1 1 80 LEU HA 3.580 . 3.580 3.520 3.290 3.643 0.063 10 0 "[ . 1 . 2]" 1
1218 1 76 ILE HA 1 79 TRP HD1 4.370 . 4.370 3.852 3.693 4.015 . 0 0 "[ . 1 . 2]" 1
1219 1 79 TRP HB2 1 79 TRP HD1 3.640 . 3.640 3.709 3.681 3.764 0.124 5 0 "[ . 1 . 2]" 1
1220 1 79 TRP HB3 1 79 TRP HD1 3.900 . 3.900 2.574 2.546 2.614 . 0 0 "[ . 1 . 2]" 1
1221 1 79 TRP HD1 1 80 LEU HG 3.800 . 3.800 2.539 2.437 2.605 . 0 0 "[ . 1 . 2]" 1
1222 1 79 TRP HD1 1 80 LEU MD2 2.960 . 2.960 2.526 2.361 2.663 . 0 0 "[ . 1 . 2]" 1
1223 1 79 TRP HD1 1 80 LEU MD1 3.660 . 3.660 3.874 3.802 3.920 0.260 17 0 "[ . 1 . 2]" 1
1224 1 76 ILE MD 1 79 TRP HD1 3.310 . 3.310 2.158 1.991 2.267 . 0 0 "[ . 1 . 2]" 1
1225 1 79 TRP HD1 1 93 TRP HD1 5.440 . 5.440 5.579 5.494 5.712 0.272 18 0 "[ . 1 . 2]" 1
1226 1 93 TRP HA 1 93 TRP HD1 4.680 . 4.680 4.376 4.297 4.432 . 0 0 "[ . 1 . 2]" 1
1227 1 64 TRP HB3 1 64 TRP HD1 3.800 . 3.800 3.528 3.468 3.571 . 0 0 "[ . 1 . 2]" 1
1228 1 64 TRP HB2 1 64 TRP HD1 3.650 . 3.650 2.599 2.559 2.626 . 0 0 "[ . 1 . 2]" 1
1229 1 62 VAL HB 1 64 TRP HZ3 5.290 . 5.290 5.343 5.187 5.413 0.123 20 0 "[ . 1 . 2]" 1
1230 1 62 VAL MG1 1 64 TRP HZ3 4.430 . 4.430 4.266 3.853 4.462 0.032 19 0 "[ . 1 . 2]" 1
1231 1 64 TRP HZ3 1 70 ALA MB 4.470 . 4.470 1.996 1.904 2.117 . 0 0 "[ . 1 . 2]" 1
1232 1 27 TRP HA 1 27 TRP HE3 4.420 . 4.420 3.357 2.264 4.650 0.230 2 0 "[ . 1 . 2]" 1
1233 1 64 TRP HA 1 64 TRP HE3 4.370 . 4.370 2.140 2.060 2.209 . 0 0 "[ . 1 . 2]" 1
1234 1 63 ALA HA 1 64 TRP HE3 4.940 . 4.940 5.028 4.948 5.133 0.193 20 0 "[ . 1 . 2]" 1
1235 1 64 TRP HB3 1 64 TRP HE3 4.080 . 4.080 3.111 2.998 3.232 . 0 0 "[ . 1 . 2]" 1
1236 1 93 TRP HA 1 93 TRP HE3 3.730 . 3.730 3.125 2.943 3.270 . 0 0 "[ . 1 . 2]" 1
1237 1 86 CYS HB3 1 93 TRP HE3 4.400 . 4.400 4.113 3.806 4.384 . 0 0 "[ . 1 . 2]" 1
1238 1 93 TRP HB3 1 93 TRP HE3 3.930 . 3.930 4.038 4.001 4.060 0.130 5 0 "[ . 1 . 2]" 1
1239 1 36 ILE MG 1 79 TRP HE3 4.760 . 4.760 3.143 2.484 3.759 . 0 0 "[ . 1 . 2]" 1
1240 1 79 TRP HE3 1 83 ARG HG3 4.980 . 4.980 4.170 3.719 4.434 . 0 0 "[ . 1 . 2]" 1
1241 1 79 TRP HB3 1 79 TRP HE3 4.010 . 4.010 4.122 4.106 4.137 0.127 12 0 "[ . 1 . 2]" 1
1242 1 79 TRP HA 1 79 TRP HE3 4.050 . 4.050 2.578 2.442 2.874 . 0 0 "[ . 1 . 2]" 1
1243 1 72 HIS HA 1 72 HIS HD2 3.690 . 3.690 2.415 2.275 2.528 . 0 0 "[ . 1 . 2]" 1
1244 1 42 MET HA 1 72 HIS HD2 4.170 . 4.170 3.195 2.554 3.849 . 0 0 "[ . 1 . 2]" 1
1245 1 62 VAL HA 1 72 HIS HD2 4.640 . 4.640 3.212 3.071 3.426 . 0 0 "[ . 1 . 2]" 1
1246 1 72 HIS HB3 1 72 HIS HD2 3.980 . 3.980 3.368 3.246 3.502 . 0 0 "[ . 1 . 2]" 1
1247 1 41 ILE HA 1 72 HIS HD2 4.480 . 4.480 4.501 4.107 4.717 0.237 14 0 "[ . 1 . 2]" 1
1248 1 62 VAL MG1 1 72 HIS HD2 4.510 . 4.510 4.441 4.051 4.643 0.133 13 0 "[ . 1 . 2]" 1
1249 1 69 HIS HA 1 69 HIS HD2 3.230 . 3.230 2.220 2.142 2.420 . 0 0 "[ . 1 . 2]" 1
1250 1 69 HIS HD2 1 88 LEU MD1 3.640 . 3.640 2.835 2.485 2.984 . 0 0 "[ . 1 . 2]" 1
1251 1 69 HIS HD2 1 88 LEU HB2 5.500 . 5.500 4.702 4.102 4.987 . 0 0 "[ . 1 . 2]" 1
1252 1 74 HIS HA 1 74 HIS HD2 3.070 . 3.070 2.649 2.346 3.193 0.123 7 0 "[ . 1 . 2]" 1
1253 1 74 HIS HD2 1 77 SER HB2 5.300 . 5.300 4.313 3.624 5.366 0.066 7 0 "[ . 1 . 2]" 1
1254 1 74 HIS HD2 1 78 ARG H 4.170 . 4.170 4.240 4.002 4.502 0.332 8 0 "[ . 1 . 2]" 1
1255 1 79 TRP HZ2 1 87 PRO HA 3.700 . 3.700 2.095 1.901 2.290 . 0 0 "[ . 1 . 2]" 1
1256 1 79 TRP HZ2 1 85 VAL MG2 3.340 . 3.340 3.220 3.087 3.364 0.024 9 0 "[ . 1 . 2]" 1
1257 1 79 TRP HZ2 1 87 PRO HB2 4.500 . 4.500 4.542 4.213 4.769 0.269 9 0 "[ . 1 . 2]" 1
1258 1 79 TRP HZ2 1 83 ARG QD 4.210 . 4.210 3.978 3.420 4.298 0.088 5 0 "[ . 1 . 2]" 1
1259 1 79 TRP HZ2 1 87 PRO HD3 5.170 . 5.170 3.988 3.288 4.523 . 0 0 "[ . 1 . 2]" 1
1260 1 65 GLY HA2 1 93 TRP HZ2 4.500 . 4.500 3.536 3.273 3.667 . 0 0 "[ . 1 . 2]" 1
1261 1 93 TRP HZ2 1 95 PHE HA 4.770 . 4.770 3.284 3.161 3.416 . 0 0 "[ . 1 . 2]" 1
1262 1 36 ILE HG12 1 71 PHE HD1 4.010 . 4.010 3.940 3.684 4.080 0.070 2 0 "[ . 1 . 2]" 1
1263 1 62 VAL MG1 1 64 TRP HD1 5.500 . 5.500 5.538 5.330 5.673 0.173 5 0 "[ . 1 . 2]" 1
1264 1 98 TYR HB2 1 98 TYR QE 5.040 . 5.040 4.401 4.346 4.451 . 0 0 "[ . 1 . 2]" 1
1265 1 98 TYR HB3 1 98 TYR QE 5.040 . 5.040 4.421 4.361 4.449 . 0 0 "[ . 1 . 2]" 1
1266 1 65 GLY HA2 1 93 TRP HH2 4.480 . 4.480 3.355 3.256 3.446 . 0 0 "[ . 1 . 2]" 1
1267 1 62 VAL MG1 1 64 TRP HH2 4.430 . 4.430 3.251 2.872 3.524 . 0 0 "[ . 1 . 2]" 1
1268 1 79 TRP HD1 1 80 LEU HB2 4.980 . 4.980 4.783 4.602 4.853 . 0 0 "[ . 1 . 2]" 1
1269 1 71 PHE HE2 1 86 CYS HA 5.010 . 5.010 4.406 4.072 4.686 . 0 0 "[ . 1 . 2]" 1
1270 1 36 ILE HB 1 71 PHE HD1 5.030 . 5.030 4.128 3.957 4.306 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 15
_Distance_constraint_stats_list.Viol_count 176
_Distance_constraint_stats_list.Viol_total 332.382
_Distance_constraint_stats_list.Viol_max 0.412
_Distance_constraint_stats_list.Viol_rms 0.0731
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0554
_Distance_constraint_stats_list.Viol_average_violations_only 0.0944
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 34 CYS 1.781 0.169 14 0 "[ . 1 . 2]"
1 37 CYS 3.675 0.238 19 0 "[ . 1 . 2]"
1 45 CYS 3.112 0.236 20 0 "[ . 1 . 2]"
1 48 CYS 4.247 0.319 6 0 "[ . 1 . 2]"
1 60 CYS 3.463 0.297 1 0 "[ . 1 . 2]"
1 67 CYS 3.443 0.412 6 0 "[ . 1 . 2]"
1 69 HIS 2.918 0.412 6 0 "[ . 1 . 2]"
1 72 HIS 3.316 0.238 19 0 "[ . 1 . 2]"
1 74 HIS 4.887 0.319 6 0 "[ . 1 . 2]"
1 75 CYS 0.933 0.105 6 0 "[ . 1 . 2]"
1 86 CYS 1.462 0.164 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 34 CYS SG 1 37 CYS SG 3.750 3.550 3.950 3.509 3.381 3.597 0.169 14 0 "[ . 1 . 2]" 2
2 1 34 CYS SG 1 75 CYS SG 3.750 3.550 3.950 3.600 3.524 3.669 0.026 18 0 "[ . 1 . 2]" 2
3 1 37 CYS SG 1 75 CYS SG 3.750 3.550 3.950 3.569 3.445 3.823 0.105 6 0 "[ . 1 . 2]" 2
4 1 34 CYS SG 1 72 HIS ND1 3.750 3.550 3.950 3.524 3.447 3.694 0.103 5 0 "[ . 1 . 2]" 2
5 1 37 CYS SG 1 72 HIS ND1 3.750 3.550 3.950 3.441 3.312 3.528 0.238 19 0 "[ . 1 . 2]" 2
6 1 72 HIS ND1 1 75 CYS SG 3.750 3.550 3.950 3.552 3.475 3.636 0.075 14 0 "[ . 1 . 2]" 2
7 1 45 CYS SG 1 48 CYS SG 3.750 3.550 3.950 3.663 3.504 3.877 0.046 18 0 "[ . 1 . 2]" 2
8 1 45 CYS SG 1 60 CYS SG 3.750 3.550 3.950 3.423 3.314 3.531 0.236 20 0 "[ . 1 . 2]" 2
9 1 48 CYS SG 1 60 CYS SG 3.750 3.550 3.950 3.699 3.474 4.038 0.088 20 0 "[ . 1 . 2]" 2
10 1 45 CYS SG 1 74 HIS ND1 3.750 3.550 3.950 3.619 3.384 3.991 0.166 1 0 "[ . 1 . 2]" 2
11 1 48 CYS SG 1 74 HIS ND1 3.750 3.550 3.950 3.359 3.231 3.465 0.319 6 0 "[ . 1 . 2]" 2
12 1 60 CYS SG 1 74 HIS ND1 3.750 3.550 3.950 3.773 3.522 4.247 0.297 1 0 "[ . 1 . 2]" 2
13 1 67 CYS SG 1 86 CYS SG 3.750 3.550 3.950 3.538 3.386 3.930 0.164 11 0 "[ . 1 . 2]" 2
14 1 67 CYS SG 1 69 HIS ND1 3.750 3.550 3.950 3.777 3.409 4.362 0.412 6 0 "[ . 1 . 2]" 2
15 1 69 HIS ND1 1 86 CYS SG 3.750 3.550 3.950 3.656 3.430 3.989 0.120 8 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 20
_Distance_constraint_stats_list.Viol_count 83
_Distance_constraint_stats_list.Viol_total 168.253
_Distance_constraint_stats_list.Viol_max 0.327
_Distance_constraint_stats_list.Viol_rms 0.0552
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0210
_Distance_constraint_stats_list.Viol_average_violations_only 0.1014
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 63 ALA 0.018 0.018 8 0 "[ . 1 . 2]"
1 65 GLY 1.952 0.126 11 0 "[ . 1 . 2]"
1 69 HIS 1.952 0.126 11 0 "[ . 1 . 2]"
1 71 PHE 0.018 0.018 8 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 HIS 0.279 0.068 18 0 "[ . 1 . 2]"
1 75 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ARG 6.442 0.327 10 0 "[ . 1 . 2]"
1 79 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 6.164 0.327 10 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 63 ALA H 1 71 PHE O 2.300 . 2.300 1.928 1.817 2.125 . 0 0 "[ . 1 . 2]" 3
2 1 63 ALA N 1 71 PHE O 3.300 . 3.300 2.909 2.794 3.098 . 0 0 "[ . 1 . 2]" 3
3 1 63 ALA O 1 71 PHE H 2.300 . 2.300 2.165 2.027 2.318 0.018 8 0 "[ . 1 . 2]" 3
4 1 63 ALA O 1 71 PHE N 3.300 . 3.300 3.143 3.001 3.298 . 0 0 "[ . 1 . 2]" 3
5 1 65 GLY O 1 69 HIS H 2.300 . 2.300 2.377 2.332 2.426 0.126 11 0 "[ . 1 . 2]" 3
6 1 65 GLY O 1 69 HIS N 3.300 . 3.300 3.318 3.268 3.357 0.057 8 0 "[ . 1 . 2]" 3
7 1 72 HIS O 1 76 ILE H 2.300 . 2.300 1.715 1.684 1.751 . 0 0 "[ . 1 . 2]" 3
8 1 72 HIS O 1 76 ILE N 3.300 . 3.300 2.691 2.657 2.727 . 0 0 "[ . 1 . 2]" 3
9 1 73 PHE O 1 77 SER H 2.300 . 2.300 1.924 1.840 2.001 . 0 0 "[ . 1 . 2]" 3
10 1 73 PHE O 1 77 SER N 3.300 . 3.300 2.820 2.740 2.886 . 0 0 "[ . 1 . 2]" 3
11 1 74 HIS O 1 78 ARG H 2.300 . 2.300 2.255 2.090 2.368 0.068 18 0 "[ . 1 . 2]" 3
12 1 74 HIS O 1 78 ARG N 3.300 . 3.300 3.195 3.025 3.314 0.014 18 0 "[ . 1 . 2]" 3
13 1 75 CYS O 1 79 TRP H 2.300 . 2.300 1.964 1.806 2.132 . 0 0 "[ . 1 . 2]" 3
14 1 75 CYS O 1 79 TRP N 3.300 . 3.300 2.876 2.715 3.049 . 0 0 "[ . 1 . 2]" 3
15 1 76 ILE O 1 80 LEU H 2.300 . 2.300 1.747 1.703 1.796 . 0 0 "[ . 1 . 2]" 3
16 1 76 ILE O 1 80 LEU N 3.300 . 3.300 2.685 2.630 2.728 . 0 0 "[ . 1 . 2]" 3
17 1 77 SER O 1 81 LYS H 2.300 . 2.300 2.129 1.948 2.295 . 0 0 "[ . 1 . 2]" 3
18 1 77 SER O 1 81 LYS N 3.300 . 3.300 2.931 2.780 3.169 . 0 0 "[ . 1 . 2]" 3
19 1 78 ARG O 1 82 THR H 2.300 . 2.300 2.518 2.435 2.627 0.327 10 0 "[ . 1 . 2]" 3
20 1 78 ARG O 1 82 THR N 3.300 . 3.300 3.387 3.262 3.501 0.201 10 0 "[ . 1 . 2]" 3
stop_
save_
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