NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
609413 |
5j17   |
30047 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5j17
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 1409
_Distance_constraint_stats_list.Viol_count 984
_Distance_constraint_stats_list.Viol_total 1239.423
_Distance_constraint_stats_list.Viol_max 0.946
_Distance_constraint_stats_list.Viol_rms 0.0482
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0088
_Distance_constraint_stats_list.Viol_average_violations_only 0.1260
_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 11 SER 3.124 0.405 9 0 "[ . 1]"
1 12 PRO 8.048 0.405 9 0 "[ . 1]"
1 13 GLN 0.924 0.212 2 0 "[ . 1]"
1 14 LYS 4.214 0.723 4 3 "[ *+. - 1]"
1 15 PRO 1.454 0.375 1 0 "[ . 1]"
1 16 ILE 4.452 0.343 4 0 "[ . 1]"
1 17 VAL 1.053 0.215 3 0 "[ . 1]"
1 18 ARG 3.144 0.197 10 0 "[ . 1]"
1 19 VAL 3.181 0.500 4 1 "[ +. 1]"
1 20 PHE 3.730 0.405 7 0 "[ . 1]"
1 21 LEU 2.458 0.145 7 0 "[ . 1]"
1 22 PRO 1.334 0.127 5 0 "[ . 1]"
1 23 ASN 0.033 0.033 2 0 "[ . 1]"
1 24 LYS 4.763 0.413 1 0 "[ . 1]"
1 25 GLN 2.176 0.135 2 0 "[ . 1]"
1 26 ARG 8.404 0.482 4 0 "[ . 1]"
1 27 THR 2.708 0.478 8 0 "[ . 1]"
1 28 VAL 1.422 0.175 10 0 "[ . 1]"
1 29 VAL 0.151 0.051 8 0 "[ . 1]"
1 30 PRO 0.711 0.157 4 0 "[ . 1]"
1 31 ALA 0.016 0.016 2 0 "[ . 1]"
1 32 ARG 2.578 0.935 10 1 "[ . +]"
1 33 CYS 1.438 0.510 7 1 "[ . + 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 VAL 2.005 0.946 8 1 "[ . + 1]"
1 36 THR 2.029 0.259 10 0 "[ . 1]"
1 37 VAL 1.978 0.265 10 0 "[ . 1]"
1 38 ARG 5.939 0.795 4 3 "[ +. * -]"
1 39 ASP 4.776 0.946 8 1 "[ . + 1]"
1 40 SER 1.146 0.157 3 0 "[ . 1]"
1 41 LEU 0.510 0.146 1 0 "[ . 1]"
1 42 LYS 1.544 0.133 3 0 "[ . 1]"
1 43 LYS 2.962 0.934 1 2 "[+ . -]"
1 44 ALA 0.378 0.046 8 0 "[ . 1]"
1 45 LEU 5.631 0.401 4 0 "[ . 1]"
1 46 MET 3.187 0.351 3 0 "[ . 1]"
1 47 MET 1.717 0.156 10 0 "[ . 1]"
1 48 ARG 2.528 0.226 5 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 2.111 0.137 4 0 "[ . 1]"
1 51 ILE 2.514 0.588 2 1 "[ + . 1]"
1 52 PRO 0.451 0.101 2 0 "[ . 1]"
1 53 GLU 2.640 0.588 2 1 "[ + . 1]"
1 54 CYS 0.510 0.196 10 0 "[ . 1]"
1 55 CYS 0.358 0.196 10 0 "[ . 1]"
1 56 ALA 0.726 0.130 1 0 "[ . 1]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 TYR 4.168 0.336 8 0 "[ . 1]"
1 59 ARG 3.009 0.708 3 1 "[ + . 1]"
1 60 ILE 0.007 0.007 2 0 "[ . 1]"
1 61 GLN 4.029 0.236 3 0 "[ . 1]"
1 62 ASP 1.127 0.482 6 0 "[ . 1]"
1 63 GLY 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 3.490 0.444 7 0 "[ . 1]"
1 65 LYS 9.247 0.444 7 0 "[ . 1]"
1 66 LYS 3.226 0.528 3 1 "[ + . 1]"
1 67 PRO 7.742 0.528 3 1 "[ + . 1]"
1 68 ILE 3.096 0.374 2 0 "[ . 1]"
1 69 GLY 0.164 0.049 6 0 "[ . 1]"
1 70 TRP 1.478 0.224 2 0 "[ . 1]"
1 71 ASP 4.560 0.795 4 3 "[ +. * -]"
1 72 THR 1.088 0.265 10 0 "[ . 1]"
1 73 ASP 0.750 0.153 5 0 "[ . 1]"
1 74 ILE 2.304 0.935 10 1 "[ . +]"
1 75 SER 1.454 0.510 7 1 "[ . + 1]"
1 76 TRP 1.954 0.240 10 0 "[ . 1]"
1 77 LEU 0.956 0.240 10 0 "[ . 1]"
1 78 THR 1.457 0.215 3 0 "[ . 1]"
1 79 GLY 0.449 0.057 7 0 "[ . 1]"
1 80 GLU 0.000 0.000 . 0 "[ . 1]"
1 81 GLU 5.713 0.667 9 4 "[- **. +1]"
1 82 LEU 6.857 0.708 3 4 "[* +-. *1]"
1 83 HIS 2.598 0.405 7 0 "[ . 1]"
1 84 VAL 0.537 0.112 7 0 "[ . 1]"
1 85 GLU 2.584 0.336 8 0 "[ . 1]"
1 86 VAL 0.242 0.077 5 0 "[ . 1]"
1 87 LEU 0.180 0.038 4 0 "[ . 1]"
1 88 GLU 3.123 0.497 1 0 "[ . 1]"
1 89 ASN 1.803 0.312 3 0 "[ . 1]"
1 90 VAL 0.005 0.005 1 0 "[ . 1]"
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 21 LEU QD 1 27 THR HB 2.549 . 3.150 1.991 1.879 2.071 . 0 0 "[ . 1]" 1
2 1 68 ILE MG 1 72 THR HB 2.730 . 6.000 2.495 2.125 2.823 . 0 0 "[ . 1]" 1
3 1 27 THR HB 1 44 ALA MB 2.994 . 4.114 3.895 3.242 4.038 . 0 0 "[ . 1]" 1
4 1 37 VAL HA 1 74 ILE HB 2.706 . 3.622 2.483 2.358 2.752 . 0 0 "[ . 1]" 1
5 1 76 TRP HA 1 76 TRP HD1 2.069 . 2.604 2.629 2.496 2.732 0.128 5 0 "[ . 1]" 1
6 1 52 PRO HA 1 70 TRP HZ2 3.077 . 4.261 3.655 3.436 3.850 . 0 0 "[ . 1]" 1
7 1 52 PRO HA 1 52 PRO HB3 2.658 . 3.541 2.274 2.262 2.282 . 0 0 "[ . 1]" 1
8 1 52 PRO HA 1 52 PRO HG3 2.917 . 3.981 3.182 3.092 3.350 . 0 0 "[ . 1]" 1
9 1 52 PRO HA 1 52 PRO HG2 3.162 . 4.412 4.012 3.976 4.069 . 0 0 "[ . 1]" 1
10 1 74 ILE HG12 1 78 THR HA 3.200 . 4.480 4.267 4.070 4.556 0.076 10 0 "[ . 1]" 1
11 1 78 THR HA 1 79 GLY HA3 3.059 . 4.229 4.268 4.254 4.286 0.057 7 0 "[ . 1]" 1
12 1 78 THR HA 1 78 THR HB 2.576 . 3.405 3.021 3.016 3.025 . 0 0 "[ . 1]" 1
13 1 22 PRO HA 1 25 GLN HB2 2.476 . 6.000 5.171 4.910 5.451 . 0 0 "[ . 1]" 1
14 1 22 PRO HA 1 22 PRO HB3 2.386 . 3.098 2.308 2.296 2.325 . 0 0 "[ . 1]" 1
15 1 22 PRO HA 1 22 PRO HG2 2.789 . 3.761 3.858 3.825 3.888 0.127 5 0 "[ . 1]" 1
16 1 90 VAL HA 1 90 VAL HB 2.198 . 2.802 2.555 2.509 2.579 . 0 0 "[ . 1]" 1
17 1 67 PRO HA 1 67 PRO HD3 3.085 . 4.275 3.766 3.618 3.881 . 0 0 "[ . 1]" 1
18 1 12 PRO HA 1 12 PRO HB2 2.342 . 3.028 2.869 2.715 2.972 . 0 0 "[ . 1]" 1
19 1 58 TYR HB3 1 67 PRO HA 2.894 . 6.000 3.851 3.604 3.993 . 0 0 "[ . 1]" 1
20 1 67 PRO HA 1 68 ILE QG 2.925 . 3.995 3.516 3.404 3.581 . 0 0 "[ . 1]" 1
21 1 58 TYR QD 1 67 PRO HA 2.690 . 3.595 3.105 2.950 3.239 . 0 0 "[ . 1]" 1
22 1 58 TYR HE1 1 67 PRO HA 2.951 . 4.039 4.021 3.912 4.085 0.046 2 0 "[ . 1]" 1
23 1 58 TYR HA 1 67 PRO HA 2.489 . 3.263 2.375 2.247 2.462 . 0 0 "[ . 1]" 1
24 1 58 TYR HB2 1 67 PRO HA 2.986 . 5.000 4.643 4.528 4.772 . 0 0 "[ . 1]" 1
25 1 12 PRO HA 1 12 PRO HD3 2.936 . 4.014 3.663 3.372 3.865 . 0 0 "[ . 1]" 1
26 1 40 SER QB 1 74 ILE HB 3.063 . 4.236 3.383 3.133 3.700 . 0 0 "[ . 1]" 1
27 1 30 PRO HD2 1 40 SER QB 3.060 . 5.500 5.120 4.817 5.325 . 0 0 "[ . 1]" 1
28 1 37 VAL HA 1 40 SER QB 2.762 . 3.716 3.139 2.333 3.490 . 0 0 "[ . 1]" 1
29 1 40 SER QB 1 74 ILE MD 2.400 . 3.120 2.059 1.869 2.214 . 0 0 "[ . 1]" 1
30 1 75 SER QB 1 76 TRP HA 2.498 . 6.000 4.213 4.022 4.573 . 0 0 "[ . 1]" 1
31 1 72 THR HA 1 73 ASP HA 2.949 . 6.000 4.363 4.344 4.392 . 0 0 "[ . 1]" 1
32 1 69 GLY HA3 1 72 THR HA 2.755 . 6.000 4.992 4.836 5.142 . 0 0 "[ . 1]" 1
33 1 36 THR HA 1 72 THR HA 2.482 . 6.000 4.887 4.745 5.093 . 0 0 "[ . 1]" 1
34 1 40 SER QB 1 74 ILE MG 2.948 . 3.842 1.978 1.758 2.759 0.104 10 0 "[ . 1]" 1
35 1 15 PRO HA 1 15 PRO HD3 3.021 . 4.162 3.777 3.518 3.937 . 0 0 "[ . 1]" 1
36 1 15 PRO HA 1 15 PRO HB3 2.136 . 2.706 2.277 2.259 2.301 . 0 0 "[ . 1]" 1
37 1 15 PRO HA 1 78 THR MG 2.430 . 6.000 4.295 4.102 4.468 . 0 0 "[ . 1]" 1
38 1 55 CYS HA 1 86 VAL HA 2.237 . 2.862 2.492 2.166 2.866 0.004 3 0 "[ . 1]" 1
39 1 55 CYS HB3 1 86 VAL HA 3.033 . 5.502 3.949 3.467 4.453 . 0 0 "[ . 1]" 1
40 1 86 VAL HA 1 87 LEU QD 2.797 . 6.000 3.651 3.004 4.242 . 0 0 "[ . 1]" 1
41 1 30 PRO HA 1 30 PRO HB2 2.431 . 3.170 2.916 2.739 2.983 . 0 0 "[ . 1]" 1
42 1 17 VAL HA 1 78 THR HA 3.184 . 4.451 4.549 4.439 4.666 0.215 3 0 "[ . 1]" 1
43 1 17 VAL HA 1 17 VAL HB 2.622 . 3.481 2.540 2.213 3.024 . 0 0 "[ . 1]" 1
44 1 72 THR HB 1 74 ILE HA 3.061 . 6.000 5.171 5.018 5.385 . 0 0 "[ . 1]" 1
45 1 74 ILE HA 1 77 LEU HB2 3.148 . 4.387 3.271 2.982 3.570 . 0 0 "[ . 1]" 1
46 1 74 ILE HA 1 74 ILE HB 2.218 . 2.833 2.267 2.214 2.395 . 0 0 "[ . 1]" 1
47 1 74 ILE HA 1 77 LEU QD 2.106 . 5.000 2.250 1.976 2.516 . 0 0 "[ . 1]" 1
48 1 40 SER HA 1 40 SER QB 2.320 . 2.878 2.369 2.176 2.546 . 0 0 "[ . 1]" 1
49 1 42 LYS HA 1 42 LYS HG2 2.728 . 3.658 2.443 2.379 2.522 . 0 0 "[ . 1]" 1
50 1 36 THR HA 1 36 THR MG 2.134 . 2.703 2.266 2.215 2.303 . 0 0 "[ . 1]" 1
51 1 31 ALA HA 1 75 SER HA 3.016 . 4.153 3.943 3.774 4.169 0.016 2 0 "[ . 1]" 1
52 1 36 THR HA 1 72 THR MG 2.846 . 6.000 5.053 4.886 5.217 . 0 0 "[ . 1]" 1
53 1 75 SER HA 1 78 THR HB 3.171 . 4.428 4.218 4.014 4.394 . 0 0 "[ . 1]" 1
54 1 75 SER HA 1 75 SER QB 2.375 . 3.080 2.333 2.187 2.406 . 0 0 "[ . 1]" 1
55 1 31 ALA MB 1 75 SER HA 2.341 . 6.000 2.220 1.982 2.459 . 0 0 "[ . 1]" 1
56 1 57 VAL HB 1 84 VAL HA 3.196 . 6.000 5.488 5.363 5.618 . 0 0 "[ . 1]" 1
57 1 57 VAL MG2 1 84 VAL HA 2.928 . 4.000 3.579 3.272 3.784 . 0 0 "[ . 1]" 1
58 1 35 VAL HA 1 35 VAL HB 2.730 . 3.662 2.843 2.718 2.929 . 0 0 "[ . 1]" 1
59 1 35 VAL HA 1 35 VAL MG1 2.242 . 6.000 2.968 2.806 3.124 . 0 0 "[ . 1]" 1
60 1 84 VAL HA 1 84 VAL HB 2.837 . 3.843 3.003 2.989 3.016 . 0 0 "[ . 1]" 1
61 1 38 ARG HA 1 70 TRP HE3 2.576 . 3.406 1.842 1.744 1.986 0.002 2 0 "[ . 1]" 1
62 1 38 ARG HA 1 70 TRP HZ3 2.798 . 3.777 3.242 2.501 3.657 . 0 0 "[ . 1]" 1
63 1 38 ARG HA 1 70 TRP HB2 3.116 . 6.000 4.902 4.240 5.522 . 0 0 "[ . 1]" 1
64 1 38 ARG HA 1 38 ARG HG3 3.081 . 4.268 3.189 2.242 3.860 . 0 0 "[ . 1]" 1
65 1 38 ARG HA 1 38 ARG HG2 2.865 . 3.891 3.021 2.419 3.690 . 0 0 "[ . 1]" 1
66 1 37 VAL MG1 1 38 ARG HA 2.684 . 6.000 4.152 3.380 5.540 . 0 0 "[ . 1]" 1
67 1 16 ILE HB 1 28 VAL HA 3.045 . 4.204 4.038 3.839 4.293 0.089 7 0 "[ . 1]" 1
68 1 70 TRP HA 1 70 TRP HE3 2.610 . 3.461 3.049 2.877 3.343 . 0 0 "[ . 1]" 1
69 1 38 ARG HA 1 70 TRP HA 3.126 . 4.347 4.225 3.939 4.410 0.063 6 0 "[ . 1]" 1
70 1 37 VAL HB 1 70 TRP HA 2.640 . 6.000 2.767 1.992 4.376 . 0 0 "[ . 1]" 1
71 1 37 VAL MG1 1 70 TRP HA 2.385 . 4.300 3.168 2.638 4.087 . 0 0 "[ . 1]" 1
72 1 70 TRP HA 1 70 TRP HB3 2.779 . 3.744 2.551 2.495 2.587 . 0 0 "[ . 1]" 1
73 1 27 THR HA 1 27 THR MG 2.182 . 6.000 3.192 3.169 3.209 . 0 0 "[ . 1]" 1
74 1 27 THR HA 1 27 THR HB 2.092 . 2.639 2.612 2.503 2.676 0.037 2 0 "[ . 1]" 1
75 1 42 LYS HB3 1 43 LYS HA 2.823 . 3.819 3.850 3.818 3.881 0.062 4 0 "[ . 1]" 1
76 1 43 LYS HA 1 46 MET QB 2.368 . 3.069 2.561 2.443 2.725 . 0 0 "[ . 1]" 1
77 1 33 CYS HA 1 75 SER QB 2.551 . 3.289 2.715 2.040 3.038 . 0 0 "[ . 1]" 1
78 1 60 ILE HA 1 60 ILE HB 2.718 . 3.642 3.003 2.977 3.020 . 0 0 "[ . 1]" 1
79 1 60 ILE HA 1 60 ILE QG 2.763 . 3.561 2.841 2.422 3.267 . 0 0 "[ . 1]" 1
80 1 53 GLU HA 1 53 GLU HG2 2.478 . 3.246 3.052 2.559 3.671 0.425 7 0 "[ . 1]" 1
81 1 16 ILE HA 1 30 PRO HA 2.320 . 2.993 2.135 2.055 2.246 . 0 0 "[ . 1]" 1
82 1 16 ILE HA 1 30 PRO HB3 3.073 . 4.254 4.325 4.279 4.411 0.157 4 0 "[ . 1]" 1
83 1 16 ILE HA 1 28 VAL HB 2.984 . 6.000 4.984 4.636 5.256 . 0 0 "[ . 1]" 1
84 1 16 ILE HA 1 16 ILE HB 2.272 . 2.917 2.610 2.577 2.651 . 0 0 "[ . 1]" 1
85 1 16 ILE HA 1 16 ILE MG 2.041 . 2.562 2.228 2.167 2.259 . 0 0 "[ . 1]" 1
86 1 16 ILE HA 1 16 ILE HG13 2.869 . 6.000 3.564 3.504 3.604 . 0 0 "[ . 1]" 1
87 1 16 ILE HA 1 31 ALA MB 2.627 . 3.490 3.382 3.282 3.449 . 0 0 "[ . 1]" 1
88 1 57 VAL HA 1 57 VAL HB 2.540 . 3.346 3.021 3.015 3.025 . 0 0 "[ . 1]" 1
89 1 46 MET HA 1 46 MET QB 2.595 . 3.436 2.463 2.244 2.533 . 0 0 "[ . 1]" 1
90 1 55 CYS HA 1 87 LEU QD 2.778 . 3.743 2.646 2.104 3.264 . 0 0 "[ . 1]" 1
91 1 55 CYS HA 1 84 VAL MG2 3.121 . 6.000 5.509 5.283 5.596 . 0 0 "[ . 1]" 1
92 1 54 CYS HA 1 87 LEU QD 2.493 . 3.270 2.859 2.439 3.103 . 0 0 "[ . 1]" 1
93 1 45 LEU HA 1 45 LEU HB3 2.616 . 3.472 2.527 2.494 2.565 . 0 0 "[ . 1]" 1
94 1 45 LEU HA 1 50 LEU HB3 2.912 . 3.972 3.818 3.277 4.061 0.089 6 0 "[ . 1]" 1
95 1 45 LEU HA 1 45 LEU HB2 2.542 . 3.350 3.005 2.991 3.012 . 0 0 "[ . 1]" 1
96 1 45 LEU HA 1 45 LEU HG 2.671 . 3.563 2.561 2.277 3.772 0.209 4 0 "[ . 1]" 1
97 1 45 LEU HA 1 48 ARG HB2 2.676 . 3.571 2.421 2.230 2.705 . 0 0 "[ . 1]" 1
98 1 51 ILE HA 1 52 PRO HD2 2.463 . 3.221 2.673 2.534 2.840 . 0 0 "[ . 1]" 1
99 1 51 ILE HA 1 52 PRO HD3 2.350 . 3.040 1.800 1.769 1.830 . 0 0 "[ . 1]" 1
100 1 68 ILE HA 1 68 ILE HB 2.572 . 3.399 3.019 3.013 3.024 . 0 0 "[ . 1]" 1
101 1 68 ILE HA 1 68 ILE MG 2.045 . 6.000 2.433 2.351 2.477 . 0 0 "[ . 1]" 1
102 1 20 PHE HA 1 20 PHE HB3 2.551 . 3.365 2.551 2.520 2.569 . 0 0 "[ . 1]" 1
103 1 35 VAL MG2 1 39 ASP HA 3.149 . 6.000 4.740 4.253 5.099 . 0 0 "[ . 1]" 1
104 1 35 VAL MG1 1 39 ASP HA 2.843 . 6.000 4.768 4.285 5.231 . 0 0 "[ . 1]" 1
105 1 20 PHE HB3 1 24 LYS HA 3.125 . 4.346 3.815 2.902 4.338 . 0 0 "[ . 1]" 1
106 1 24 LYS HA 1 24 LYS HG2 2.254 . 2.889 2.844 2.633 2.976 0.087 4 0 "[ . 1]" 1
107 1 29 VAL HA 1 30 PRO HD3 2.067 . 2.601 2.056 1.924 2.498 . 0 0 "[ . 1]" 1
108 1 29 VAL HA 1 29 VAL HB 2.375 . 3.080 2.505 2.405 3.020 . 0 0 "[ . 1]" 1
109 1 29 VAL HA 1 29 VAL MG1 2.178 . 6.000 2.936 2.263 3.216 . 0 0 "[ . 1]" 1
110 1 39 ASP HA 1 39 ASP HB2 2.372 . 3.075 2.530 2.387 3.015 . 0 0 "[ . 1]" 1
111 1 39 ASP HA 1 39 ASP HB3 2.322 . 2.996 2.968 2.491 3.025 0.029 9 0 "[ . 1]" 1
112 1 39 ASP HA 1 42 LYS HB3 2.900 . 3.951 3.569 3.306 3.936 . 0 0 "[ . 1]" 1
113 1 39 ASP HA 1 42 LYS HB2 2.887 . 3.929 2.254 2.107 2.420 . 0 0 "[ . 1]" 1
114 1 39 ASP HA 1 42 LYS HG3 2.827 . 3.826 3.874 3.400 3.959 0.133 3 0 "[ . 1]" 1
115 1 29 VAL HA 1 74 ILE MD 2.828 . 6.000 4.653 4.311 4.822 . 0 0 "[ . 1]" 1
116 1 39 ASP HA 1 42 LYS HG2 3.127 . 6.000 4.803 4.649 4.955 . 0 0 "[ . 1]" 1
117 1 65 LYS HA 1 65 LYS HB2 2.495 . 3.273 3.015 3.007 3.022 . 0 0 "[ . 1]" 1
118 1 65 LYS HA 1 65 LYS HG3 2.617 . 3.473 3.247 3.091 3.409 . 0 0 "[ . 1]" 1
119 1 11 SER HA 1 11 SER HB3 1.885 . 2.329 2.376 2.357 2.415 0.086 10 0 "[ . 1]" 1
120 1 11 SER HA 1 11 SER HB2 1.984 . 2.476 2.531 2.489 2.554 0.078 3 0 "[ . 1]" 1
121 1 60 ILE HA 1 65 LYS HA 2.348 . 3.037 2.319 2.082 2.672 . 0 0 "[ . 1]" 1
122 1 65 LYS HA 1 65 LYS HB3 2.406 . 3.130 2.406 2.353 2.433 . 0 0 "[ . 1]" 1
123 1 65 LYS HA 1 65 LYS HG2 2.549 . 3.361 2.644 2.556 2.771 . 0 0 "[ . 1]" 1
124 1 88 GLU HA 1 88 GLU HB3 2.022 . 2.533 2.677 2.421 3.030 0.497 1 0 "[ . 1]" 1
125 1 58 TYR HA 1 58 TYR QD 2.707 . 3.623 3.181 3.155 3.228 . 0 0 "[ . 1]" 1
126 1 58 TYR HA 1 58 TYR HB3 2.555 . 3.371 2.482 2.457 2.536 . 0 0 "[ . 1]" 1
127 1 58 TYR HA 1 58 TYR HB2 2.581 . 3.413 3.026 3.017 3.032 . 0 0 "[ . 1]" 1
128 1 58 TYR HA 1 67 PRO HB3 3.164 . 4.415 4.496 4.461 4.551 0.136 3 0 "[ . 1]" 1
129 1 58 TYR HA 1 68 ILE QG 2.596 . 3.438 2.816 2.212 3.415 . 0 0 "[ . 1]" 1
130 1 18 ARG HA 1 28 VAL HA 2.291 . 2.947 2.408 2.227 2.554 . 0 0 "[ . 1]" 1
131 1 17 VAL HA 1 18 ARG HA 2.936 . 6.000 4.305 4.217 4.398 . 0 0 "[ . 1]" 1
132 1 18 ARG HA 1 18 ARG HG3 2.594 . 3.435 3.004 2.862 3.174 . 0 0 "[ . 1]" 1
133 1 88 GLU HA 1 89 ASN HA 3.066 . 6.000 4.362 4.285 4.421 . 0 0 "[ . 1]" 1
134 1 64 GLU HA 1 65 LYS HA 2.842 . 6.000 4.327 4.271 4.363 . 0 0 "[ . 1]" 1
135 1 88 GLU HA 1 88 GLU HG2 2.357 . 3.051 2.791 2.468 3.175 0.124 1 0 "[ . 1]" 1
136 1 58 TYR HA 1 68 ILE MD 2.786 . 3.756 3.065 2.524 3.296 . 0 0 "[ . 1]" 1
137 1 18 ARG HA 1 18 ARG HG2 2.547 . 3.358 2.478 2.408 2.511 . 0 0 "[ . 1]" 1
138 1 16 ILE MD 1 18 ARG HA 2.574 . 6.000 4.421 4.154 4.617 . 0 0 "[ . 1]" 1
139 1 13 GLN HA 1 13 GLN HB3 2.205 . 2.813 2.690 2.441 3.025 0.212 2 0 "[ . 1]" 1
140 1 13 GLN HA 1 13 GLN HB2 2.324 . 2.999 2.818 2.414 3.024 0.025 4 0 "[ . 1]" 1
141 1 62 ASP HA 1 63 GLY HA3 2.561 . 6.000 4.319 4.292 4.350 . 0 0 "[ . 1]" 1
142 1 62 ASP HA 1 62 ASP HB3 2.021 . 2.532 2.562 2.455 3.014 0.482 6 0 "[ . 1]" 1
143 1 62 ASP HA 1 62 ASP HB2 2.204 . 6.000 2.967 2.513 3.025 . 0 0 "[ . 1]" 1
144 1 83 HIS HA 1 83 HIS HB3 2.596 . 3.439 2.493 2.408 2.577 . 0 0 "[ . 1]" 1
145 1 41 LEU HA 1 41 LEU HB3 2.579 . 3.410 2.571 2.470 2.615 . 0 0 "[ . 1]" 1
146 1 41 LEU HA 1 44 ALA MB 2.635 . 3.503 2.055 1.999 2.134 . 0 0 "[ . 1]" 1
147 1 41 LEU HA 1 41 LEU QD 2.147 . 2.723 2.131 1.942 2.618 . 0 0 "[ . 1]" 1
148 1 20 PHE HB2 1 83 HIS HA 2.452 . 3.203 2.191 2.012 2.385 . 0 0 "[ . 1]" 1
149 1 83 HIS HA 1 83 HIS HB2 2.821 . 3.816 3.026 3.011 3.034 . 0 0 "[ . 1]" 1
150 1 29 VAL MG2 1 41 LEU HA 2.866 . 6.000 3.670 2.548 4.095 . 0 0 "[ . 1]" 1
151 1 87 LEU HA 1 87 LEU HB3 2.463 . 3.221 2.578 2.430 2.695 . 0 0 "[ . 1]" 1
152 1 87 LEU HA 1 87 LEU QD 1.931 . 5.000 2.217 2.010 2.423 . 0 0 "[ . 1]" 1
153 1 32 ARG HA 1 32 ARG QB 2.376 . 3.082 2.370 2.214 2.417 . 0 0 "[ . 1]" 1
154 1 25 GLN HA 1 25 GLN HG2 2.320 . 2.993 2.874 2.473 3.015 0.022 2 0 "[ . 1]" 1
155 1 32 ARG HA 1 32 ARG HG2 2.257 . 2.894 2.550 2.406 3.535 0.641 10 1 "[ . +]" 1
156 1 32 ARG HA 1 74 ILE MD 3.137 . 6.000 4.894 4.483 5.041 . 0 0 "[ . 1]" 1
157 1 21 LEU HB2 1 26 ARG HA 2.997 . 6.000 4.521 4.207 4.671 . 0 0 "[ . 1]" 1
158 1 48 ARG HA 1 48 ARG QD 2.843 . 4.572 3.846 3.416 4.029 . 0 0 "[ . 1]" 1
159 1 48 ARG HA 1 48 ARG HG2 2.173 . 2.763 2.320 2.169 2.449 . 0 0 "[ . 1]" 1
160 1 26 ARG HA 1 26 ARG HB3 2.366 . 3.066 2.969 2.724 3.012 . 0 0 "[ . 1]" 1
161 1 20 PHE HA 1 26 ARG HA 2.335 . 3.017 2.074 1.955 2.212 . 0 0 "[ . 1]" 1
162 1 26 ARG HA 1 26 ARG HB2 2.323 . 2.998 2.487 2.342 2.904 . 0 0 "[ . 1]" 1
163 1 26 ARG HA 1 26 ARG HG3 2.492 . 3.268 2.523 2.429 2.647 . 0 0 "[ . 1]" 1
164 1 48 ARG HA 1 48 ARG HB3 2.321 . 2.994 2.589 2.547 2.629 . 0 0 "[ . 1]" 1
165 1 48 ARG HA 1 48 ARG HB2 2.411 . 3.138 3.011 3.000 3.019 . 0 0 "[ . 1]" 1
166 1 26 ARG HA 1 27 THR MG 2.937 . 6.000 4.145 3.874 4.306 . 0 0 "[ . 1]" 1
167 1 60 ILE HA 1 61 GLN HA 2.787 . 6.000 4.408 4.359 4.431 . 0 0 "[ . 1]" 1
168 1 61 GLN HA 1 62 ASP HA 2.970 . 6.000 4.403 4.360 4.422 . 0 0 "[ . 1]" 1
169 1 44 ALA HA 1 47 MET HB2 2.668 . 3.558 3.569 3.448 3.604 0.046 8 0 "[ . 1]" 1
170 1 81 GLU HA 1 81 GLU HG2 2.533 . 3.335 2.951 2.395 3.699 0.364 9 0 "[ . 1]" 1
171 1 81 GLU HA 1 81 GLU HB2 2.534 . 3.337 3.027 3.020 3.032 . 0 0 "[ . 1]" 1
172 1 81 GLU HA 1 81 GLU HB3 2.468 . 3.229 2.509 2.456 2.569 . 0 0 "[ . 1]" 1
173 1 18 ARG HB2 1 81 GLU HA 2.545 . 3.355 2.535 2.327 2.676 . 0 0 "[ . 1]" 1
174 1 18 ARG HG3 1 81 GLU HA 3.148 . 4.386 4.500 4.445 4.565 0.179 3 0 "[ . 1]" 1
175 1 61 GLN HA 1 64 GLU QG 2.331 . 6.000 4.722 4.019 5.798 . 0 0 "[ . 1]" 1
176 1 61 GLN HA 1 61 GLN HB3 2.287 . 2.941 2.472 2.446 2.495 . 0 0 "[ . 1]" 1
177 1 61 GLN HA 1 61 GLN HB2 2.187 . 2.785 3.009 2.991 3.021 0.236 3 0 "[ . 1]" 1
178 1 36 THR HB 1 73 ASP HA 2.843 . 6.000 4.499 4.323 4.696 . 0 0 "[ . 1]" 1
179 1 81 GLU HA 1 81 GLU HG3 2.756 . 3.705 2.881 2.437 3.347 . 0 0 "[ . 1]" 1
180 1 64 GLU HA 1 64 GLU HB3 2.168 . 2.755 2.390 2.293 2.454 . 0 0 "[ . 1]" 1
181 1 64 GLU HA 1 64 GLU HB2 2.251 . 6.000 2.654 2.432 3.016 . 0 0 "[ . 1]" 1
182 1 36 THR HA 1 73 ASP HA 2.316 . 2.986 2.141 1.979 2.332 . 0 0 "[ . 1]" 1
183 1 73 ASP HA 1 73 ASP HB3 2.589 . 3.427 3.026 3.020 3.032 . 0 0 "[ . 1]" 1
184 1 73 ASP HA 1 74 ILE MG 3.201 . 4.482 3.260 3.168 3.403 . 0 0 "[ . 1]" 1
185 1 14 LYS HA 1 14 LYS HB3 2.314 . 2.983 2.707 2.466 3.026 0.043 10 0 "[ . 1]" 1
186 1 14 LYS HA 1 14 LYS HB2 2.377 . 3.083 2.828 2.497 3.030 . 0 0 "[ . 1]" 1
187 1 14 LYS HA 1 14 LYS HG3 2.812 . 3.801 2.826 2.376 3.750 . 0 0 "[ . 1]" 1
188 1 73 ASP HA 1 73 ASP HB2 2.694 . 3.601 2.555 2.486 2.582 . 0 0 "[ . 1]" 1
189 1 14 LYS HA 1 15 PRO HD3 2.093 . 2.641 2.097 1.892 2.473 . 0 0 "[ . 1]" 1
190 1 14 LYS HA 1 15 PRO HD2 2.084 . 2.627 2.392 1.985 2.607 . 0 0 "[ . 1]" 1
191 1 14 LYS HA 1 14 LYS HG2 2.583 . 3.417 2.917 2.533 3.666 0.249 4 0 "[ . 1]" 1
192 1 36 THR MG 1 71 ASP HA 2.178 . 2.771 2.320 2.078 2.508 . 0 0 "[ . 1]" 1
193 1 23 ASN HA 1 24 LYS HG2 2.951 . 4.039 3.801 3.450 4.072 0.033 2 0 "[ . 1]" 1
194 1 59 ARG HA 1 83 HIS HD2 2.629 . 3.493 3.286 2.554 3.589 0.096 9 0 "[ . 1]" 1
195 1 59 ARG HA 1 59 ARG QB 2.375 . 2.947 2.206 2.177 2.399 . 0 0 "[ . 1]" 1
196 1 59 ARG HA 1 59 ARG HG2 2.679 . 6.000 3.609 2.575 3.791 . 0 0 "[ . 1]" 1
197 1 85 GLU HA 1 85 GLU HB3 2.310 . 2.977 2.420 2.335 2.513 . 0 0 "[ . 1]" 1
198 1 85 GLU HA 1 85 GLU HG3 2.552 . 6.000 3.707 3.349 3.971 . 0 0 "[ . 1]" 1
199 1 85 GLU HA 1 85 GLU HB2 2.289 . 2.944 3.011 2.989 3.023 0.079 3 0 "[ . 1]" 1
200 1 85 GLU HA 1 86 VAL QG 2.815 . 3.806 3.455 3.240 3.612 . 0 0 "[ . 1]" 1
201 1 84 VAL MG1 1 85 GLU HA 2.855 . 6.000 3.633 3.522 3.756 . 0 0 "[ . 1]" 1
202 1 21 LEU HA 1 84 VAL HB 2.524 . 5.320 1.994 1.862 2.206 . 0 0 "[ . 1]" 1
203 1 21 LEU HA 1 21 LEU HB2 2.358 . 3.053 3.027 3.019 3.033 . 0 0 "[ . 1]" 1
204 1 77 LEU HA 1 77 LEU HB3 2.326 . 3.002 2.388 2.345 2.450 . 0 0 "[ . 1]" 1
205 1 77 LEU HA 1 77 LEU HG 2.647 . 6.000 3.428 3.168 3.826 . 0 0 "[ . 1]" 1
206 1 77 LEU HA 1 77 LEU QD 2.097 . 2.647 2.210 1.965 2.360 . 0 0 "[ . 1]" 1
207 1 50 LEU HA 1 50 LEU QD 2.089 . 4.800 2.392 2.009 2.622 . 0 0 "[ . 1]" 1
208 1 50 LEU HA 1 50 LEU HB3 2.479 . 3.247 2.591 2.509 2.665 . 0 0 "[ . 1]" 1
209 1 82 LEU HA 1 82 LEU HB2 2.531 . 3.331 2.989 2.928 3.015 . 0 0 "[ . 1]" 1
210 1 17 VAL QG 1 82 LEU HA 2.826 . 6.000 4.564 4.413 4.717 . 0 0 "[ . 1]" 1
211 1 66 LYS HA 1 67 PRO HD3 2.249 . 2.881 2.176 1.963 2.495 . 0 0 "[ . 1]" 1
212 1 66 LYS HA 1 66 LYS HD3 2.601 . 3.447 2.267 1.863 3.295 . 0 0 "[ . 1]" 1
213 1 66 LYS HA 1 66 LYS HG2 2.573 . 3.401 3.340 3.151 3.612 0.211 4 0 "[ . 1]" 1
214 1 66 LYS HA 1 67 PRO HD2 2.263 . 2.903 2.388 2.073 2.640 . 0 0 "[ . 1]" 1
215 1 67 PRO HD3 1 67 PRO HG3 2.615 . 3.470 2.295 2.249 2.323 . 0 0 "[ . 1]" 1
216 1 67 PRO HD3 1 67 PRO HG2 2.526 . 3.324 2.779 2.672 2.952 . 0 0 "[ . 1]" 1
217 1 67 PRO HB2 1 67 PRO HD3 2.686 . 6.000 3.956 3.881 4.067 . 0 0 "[ . 1]" 1
218 1 67 PRO HB2 1 67 PRO HD2 2.570 . 6.000 3.355 2.927 3.962 . 0 0 "[ . 1]" 1
219 1 66 LYS HG2 1 67 PRO HD2 3.079 . 6.000 5.353 4.821 5.806 . 0 0 "[ . 1]" 1
220 1 66 LYS HG2 1 67 PRO HD3 3.192 . 6.000 5.350 4.993 5.995 . 0 0 "[ . 1]" 1
221 1 12 PRO HB2 1 12 PRO HD3 2.637 . 3.506 3.852 3.835 3.883 0.377 9 0 "[ . 1]" 1
222 1 11 SER HA 1 12 PRO HD3 2.003 . 2.505 2.130 1.833 2.541 0.036 9 0 "[ . 1]" 1
223 1 11 SER HA 1 12 PRO HD2 2.037 . 2.556 2.269 1.882 2.566 0.010 8 0 "[ . 1]" 1
224 1 12 PRO HA 1 12 PRO HD2 3.034 . 4.185 3.982 3.909 4.100 . 0 0 "[ . 1]" 1
225 1 12 PRO HB2 1 12 PRO HD2 2.805 . 3.788 3.354 2.858 4.064 0.276 5 0 "[ . 1]" 1
226 1 15 PRO HD3 1 15 PRO HG3 2.380 . 3.088 2.307 2.264 2.320 . 0 0 "[ . 1]" 1
227 1 45 LEU HB2 1 52 PRO HD3 2.909 . 3.967 2.874 2.300 3.236 . 0 0 "[ . 1]" 1
228 1 15 PRO HD3 1 15 PRO HG2 2.454 . 3.207 2.786 2.681 2.989 . 0 0 "[ . 1]" 1
229 1 13 GLN HA 1 15 PRO HD3 3.060 . 6.000 5.157 4.340 5.540 . 0 0 "[ . 1]" 1
230 1 15 PRO HD2 1 15 PRO HG3 2.322 . 2.996 2.896 2.681 2.995 . 0 0 "[ . 1]" 1
231 1 14 LYS HB2 1 15 PRO HD2 2.822 . 5.000 4.722 4.191 5.223 0.223 9 0 "[ . 1]" 1
232 1 52 PRO HD3 1 52 PRO HG2 2.706 . 3.622 2.672 2.660 2.682 . 0 0 "[ . 1]" 1
233 1 52 PRO HB3 1 52 PRO HD3 3.088 . 4.280 4.032 4.008 4.054 . 0 0 "[ . 1]" 1
234 1 45 LEU QD 1 52 PRO HD3 2.945 . 4.029 3.100 2.980 3.365 . 0 0 "[ . 1]" 1
235 1 52 PRO HD2 1 52 PRO HG2 2.585 . 3.420 2.317 2.311 2.326 . 0 0 "[ . 1]" 1
236 1 52 PRO HB3 1 52 PRO HD2 2.900 . 3.951 3.884 3.869 3.896 . 0 0 "[ . 1]" 1
237 1 52 PRO HD3 1 52 PRO HG3 2.859 . 3.881 2.309 2.301 2.319 . 0 0 "[ . 1]" 1
238 1 51 ILE HB 1 52 PRO HD2 2.703 . 3.616 3.047 2.841 3.230 . 0 0 "[ . 1]" 1
239 1 21 LEU HA 1 22 PRO QD 2.524 . 3.320 2.211 2.122 2.313 . 0 0 "[ . 1]" 1
240 1 22 PRO HB2 1 22 PRO QD 2.766 . 6.000 2.772 2.741 2.802 . 0 0 "[ . 1]" 1
241 1 21 LEU HB2 1 22 PRO QD 2.760 . 3.483 3.056 2.904 3.134 . 0 0 "[ . 1]" 1
242 1 22 PRO QD 1 84 VAL MG1 2.943 . 4.026 1.935 1.751 2.269 0.109 5 0 "[ . 1]" 1
243 1 22 PRO QD 1 50 LEU QD 2.669 . 3.638 1.983 1.824 2.166 . 0 0 "[ . 1]" 1
244 1 22 PRO QD 1 22 PRO HG3 2.628 . 2.709 2.248 2.235 2.259 . 0 0 "[ . 1]" 1
245 1 22 PRO QD 1 25 GLN HB2 3.001 . 4.127 4.065 3.974 4.133 0.006 6 0 "[ . 1]" 1
246 1 31 ALA HA 1 74 ILE HG12 2.563 . 3.384 2.179 2.000 2.508 . 0 0 "[ . 1]" 1
247 1 31 ALA HA 1 31 ALA MB 2.062 . 2.593 2.127 2.122 2.132 . 0 0 "[ . 1]" 1
248 1 31 ALA HA 1 74 ILE MD 2.497 . 3.276 2.129 1.963 2.411 . 0 0 "[ . 1]" 1
249 1 78 THR MG 1 79 GLY HA2 3.049 . 4.211 3.761 3.698 3.829 . 0 0 "[ . 1]" 1
250 1 60 ILE MG 1 63 GLY HA3 2.735 . 6.000 4.403 4.323 4.456 . 0 0 "[ . 1]" 1
251 1 60 ILE MG 1 63 GLY HA2 2.564 . 3.386 3.129 3.034 3.189 . 0 0 "[ . 1]" 1
252 1 69 GLY HA3 1 72 THR HB 2.884 . 3.923 3.903 3.699 3.972 0.049 6 0 "[ . 1]" 1
253 1 69 GLY HA3 1 72 THR MG 3.133 . 6.000 4.590 4.427 4.660 . 0 0 "[ . 1]" 1
254 1 45 LEU HB3 1 50 LEU HB3 3.072 . 4.252 2.627 2.412 2.693 . 0 0 "[ . 1]" 1
255 1 50 LEU HA 1 50 LEU HB2 2.914 . 3.976 3.002 2.982 3.018 . 0 0 "[ . 1]" 1
256 1 45 LEU HA 1 50 LEU HB2 3.104 . 4.308 2.520 2.168 2.860 . 0 0 "[ . 1]" 1
257 1 45 LEU HB2 1 50 LEU HB2 2.895 . 3.943 3.930 3.722 4.080 0.137 4 0 "[ . 1]" 1
258 1 19 VAL HA 1 82 LEU HB3 2.824 . 3.821 3.872 3.331 4.321 0.500 4 1 "[ +. 1]" 1
259 1 45 LEU HB2 1 50 LEU HB3 3.094 . 4.290 4.314 4.071 4.385 0.095 8 0 "[ . 1]" 1
260 1 50 LEU HB2 1 50 LEU QD 2.286 . 2.939 2.152 2.104 2.201 . 0 0 "[ . 1]" 1
261 1 82 LEU HA 1 82 LEU HG 2.874 . 3.907 3.031 2.570 3.327 . 0 0 "[ . 1]" 1
262 1 17 VAL QG 1 82 LEU HB2 2.640 . 6.000 3.017 2.625 3.426 . 0 0 "[ . 1]" 1
263 1 19 VAL QG 1 82 LEU HB2 2.398 . 3.117 1.817 1.658 1.990 0.021 4 0 "[ . 1]" 1
264 1 57 VAL MG2 1 82 LEU HB2 2.948 . 6.000 5.135 4.918 5.349 . 0 0 "[ . 1]" 1
265 1 19 VAL HA 1 82 LEU HB2 3.097 . 4.296 2.708 2.453 2.976 . 0 0 "[ . 1]" 1
266 1 16 ILE HB 1 28 VAL HB 3.024 . 4.167 2.592 2.307 2.832 . 0 0 "[ . 1]" 1
267 1 59 ARG QB 1 59 ARG HD3 2.625 . 3.486 2.993 2.335 3.266 . 0 0 "[ . 1]" 1
268 1 59 ARG QB 1 59 ARG HD2 2.713 . 3.633 2.352 2.198 3.299 . 0 0 "[ . 1]" 1
269 1 59 ARG HD2 1 77 LEU QD 2.590 . 3.429 2.113 1.733 2.944 0.018 10 0 "[ . 1]" 1
270 1 59 ARG HD2 1 68 ILE MD 2.417 . 3.147 2.487 2.100 3.240 0.093 4 0 "[ . 1]" 1
271 1 59 ARG HD2 1 59 ARG HG2 2.408 . 3.133 2.605 2.438 3.008 . 0 0 "[ . 1]" 1
272 1 20 PHE HZ 1 26 ARG HD3 2.924 . 3.993 3.316 2.609 3.999 0.006 7 0 "[ . 1]" 1
273 1 26 ARG HA 1 26 ARG HD3 3.036 . 4.188 4.319 4.100 4.496 0.308 6 0 "[ . 1]" 1
274 1 26 ARG HB3 1 26 ARG HD3 2.534 . 3.337 2.739 2.367 3.550 0.213 6 0 "[ . 1]" 1
275 1 26 ARG HB2 1 26 ARG HD3 2.467 . 3.228 2.506 2.183 3.665 0.437 6 0 "[ . 1]" 1
276 1 20 PHE HZ 1 26 ARG HD2 2.807 . 3.792 3.214 2.509 4.154 0.362 6 0 "[ . 1]" 1
277 1 26 ARG HB2 1 26 ARG HD2 2.451 . 3.202 3.205 2.601 3.684 0.482 4 0 "[ . 1]" 1
278 1 48 ARG HB3 1 48 ARG QD 2.616 . 3.472 2.367 2.160 2.572 . 0 0 "[ . 1]" 1
279 1 21 LEU QD 1 48 ARG QD 2.422 . 3.295 2.246 1.722 2.713 0.145 7 0 "[ . 1]" 1
280 1 38 ARG HB3 1 38 ARG QD 2.562 . 3.382 2.499 2.310 3.006 . 0 0 "[ . 1]" 1
281 1 48 ARG HB2 1 48 ARG QD 2.518 . 3.310 2.650 2.393 3.158 . 0 0 "[ . 1]" 1
282 1 41 LEU HB3 1 41 LEU HG 2.419 . 3.151 2.687 2.469 2.943 . 0 0 "[ . 1]" 1
283 1 41 LEU HB3 1 70 TRP HZ3 2.916 . 3.979 2.274 1.904 3.008 . 0 0 "[ . 1]" 1
284 1 41 LEU HA 1 41 LEU HB2 2.754 . 3.702 2.998 2.977 3.009 . 0 0 "[ . 1]" 1
285 1 41 LEU HB2 1 41 LEU QD 2.395 . 3.112 2.436 2.111 2.574 . 0 0 "[ . 1]" 1
286 1 38 ARG HB2 1 38 ARG QD 2.689 . 3.593 2.452 2.240 3.066 . 0 0 "[ . 1]" 1
287 1 38 ARG QD 1 38 ARG HG3 2.410 . 3.136 2.311 2.165 2.385 . 0 0 "[ . 1]" 1
288 1 38 ARG QD 1 38 ARG HG2 2.493 . 3.270 2.320 2.168 2.383 . 0 0 "[ . 1]" 1
289 1 87 LEU HA 1 87 LEU HB2 2.601 . 3.447 2.994 2.964 3.022 . 0 0 "[ . 1]" 1
290 1 87 LEU HB2 1 87 LEU QD 2.129 . 2.695 2.184 2.077 2.356 . 0 0 "[ . 1]" 1
291 1 24 LYS HA 1 24 LYS HE3 2.862 . 3.886 2.686 1.774 3.877 0.064 10 0 "[ . 1]" 1
292 1 58 TYR HB3 1 58 TYR QD 2.604 . 3.452 2.265 2.258 2.274 . 0 0 "[ . 1]" 1
293 1 58 TYR HB2 1 60 ILE QG 3.173 . 6.000 4.169 3.568 5.006 . 0 0 "[ . 1]" 1
294 1 43 LYS HE2 1 43 LYS HG3 2.202 . 2.808 2.814 2.529 3.742 0.934 1 2 "[+ . -]" 1
295 1 43 LYS HA 1 43 LYS HE2 2.908 . 3.965 2.282 2.088 2.380 . 0 0 "[ . 1]" 1
296 1 61 GLN QG 1 66 LYS QE 2.586 . 3.422 2.988 2.477 3.393 . 0 0 "[ . 1]" 1
297 1 77 LEU HB3 1 80 GLU HB2 2.794 . 3.770 2.772 2.402 3.102 . 0 0 "[ . 1]" 1
298 1 21 LEU HB2 1 21 LEU QD 2.549 . 3.361 2.118 2.034 2.208 . 0 0 "[ . 1]" 1
299 1 65 LYS HB3 1 65 LYS QE 2.623 . 3.483 2.184 2.016 2.980 . 0 0 "[ . 1]" 1
300 1 71 ASP HA 1 71 ASP HB3 2.352 . 3.043 2.486 2.417 2.610 . 0 0 "[ . 1]" 1
301 1 71 ASP HA 1 71 ASP HB2 2.431 . 3.169 2.779 2.407 3.025 . 0 0 "[ . 1]" 1
302 1 36 THR MG 1 71 ASP HB3 2.725 . 3.653 3.418 2.857 3.912 0.259 10 0 "[ . 1]" 1
303 1 42 LYS HA 1 45 LEU HB2 3.076 . 5.500 3.218 2.960 3.452 . 0 0 "[ . 1]" 1
304 1 45 LEU HB2 1 48 ARG HB2 3.014 . 6.000 5.213 4.961 5.378 . 0 0 "[ . 1]" 1
305 1 38 ARG QD 1 71 ASP HB2 2.616 . 6.000 4.744 3.942 5.390 . 0 0 "[ . 1]" 1
306 1 45 LEU HB3 1 50 LEU HB2 2.976 . 4.083 2.336 2.173 2.639 . 0 0 "[ . 1]" 1
307 1 62 ASP HB3 1 64 GLU QG 3.157 . 6.000 4.209 3.040 4.569 . 0 0 "[ . 1]" 1
308 1 35 VAL MG2 1 39 ASP HB2 3.229 . 4.532 3.172 1.869 3.709 0.057 8 0 "[ . 1]" 1
309 1 62 ASP HB2 1 64 GLU QG 2.801 . 6.000 3.414 3.092 4.158 . 0 0 "[ . 1]" 1
310 1 74 ILE HB 1 74 ILE MG 2.357 . 3.051 2.103 2.088 2.111 . 0 0 "[ . 1]" 1
311 1 74 ILE HB 1 74 ILE MD 2.352 . 6.000 2.530 2.423 2.575 . 0 0 "[ . 1]" 1
312 1 20 PHE HA 1 20 PHE HB2 2.665 . 3.553 3.021 3.010 3.037 . 0 0 "[ . 1]" 1
313 1 51 ILE HA 1 51 ILE HB 2.661 . 3.546 2.495 2.465 2.534 . 0 0 "[ . 1]" 1
314 1 51 ILE HB 1 52 PRO HD3 2.901 . 6.000 3.601 3.425 3.754 . 0 0 "[ . 1]" 1
315 1 89 ASN HA 1 89 ASN HB3 2.142 . 2.716 2.639 2.406 3.028 0.312 3 0 "[ . 1]" 1
316 1 89 ASN HA 1 89 ASN HB2 2.214 . 6.000 2.653 2.444 3.031 . 0 0 "[ . 1]" 1
317 1 53 GLU HA 1 53 GLU HG3 2.676 . 3.571 3.043 2.460 3.686 0.115 6 0 "[ . 1]" 1
318 1 51 ILE MD 1 53 GLU HG3 3.138 . 4.369 4.253 3.620 4.957 0.588 2 1 "[ + . 1]" 1
319 1 60 ILE HB 1 60 ILE QG 2.615 . 2.949 2.219 2.179 2.323 . 0 0 "[ . 1]" 1
320 1 81 GLU HB3 1 81 GLU HG2 2.553 . 3.368 2.436 2.260 2.579 . 0 0 "[ . 1]" 1
321 1 18 ARG HB2 1 81 GLU HG3 2.813 . 3.802 2.948 1.979 3.809 0.007 10 0 "[ . 1]" 1
322 1 20 PHE HE1 1 81 GLU HG3 3.120 . 4.337 3.840 2.746 4.398 0.061 10 0 "[ . 1]" 1
323 1 20 PHE HE1 1 81 GLU HG2 3.072 . 4.251 3.117 2.822 3.594 . 0 0 "[ . 1]" 1
324 1 18 ARG HB2 1 81 GLU HG2 2.729 . 3.660 2.720 1.912 3.809 0.149 9 0 "[ . 1]" 1
325 1 77 LEU QD 1 80 GLU HG3 2.570 . 6.000 3.957 2.848 4.912 . 0 0 "[ . 1]" 1
326 1 88 GLU HA 1 88 GLU HG3 2.524 . 3.320 2.925 2.509 3.228 . 0 0 "[ . 1]" 1
327 1 88 GLU HB3 1 88 GLU HG2 2.002 . 2.503 2.444 2.404 2.508 0.005 2 0 "[ . 1]" 1
328 1 64 GLU QG 1 66 LYS QE 2.987 . 6.000 2.864 1.974 4.073 . 0 0 "[ . 1]" 1
329 1 58 TYR HE2 1 85 GLU HG3 3.144 . 4.380 2.847 2.247 3.333 . 0 0 "[ . 1]" 1
330 1 64 GLU HA 1 64 GLU QG 2.436 . 3.178 3.012 2.440 3.256 0.078 4 0 "[ . 1]" 1
331 1 64 GLU HB2 1 64 GLU QG 2.157 . 2.739 2.296 2.248 2.361 . 0 0 "[ . 1]" 1
332 1 58 TYR HE2 1 85 GLU HG2 3.000 . 4.125 3.783 2.958 4.461 0.336 8 0 "[ . 1]" 1
333 1 64 GLU HB3 1 64 GLU QG 1.940 . 2.410 2.340 2.275 2.385 . 0 0 "[ . 1]" 1
334 1 28 VAL HA 1 28 VAL HB 2.379 . 3.086 2.790 2.239 2.969 . 0 0 "[ . 1]" 1
335 1 17 VAL HB 1 31 ALA MB 3.233 . 4.540 4.280 4.126 4.387 . 0 0 "[ . 1]" 1
336 1 18 ARG HA 1 28 VAL HB 3.204 . 4.487 3.956 1.899 4.525 0.038 1 0 "[ . 1]" 1
337 1 21 LEU QD 1 25 GLN HG2 3.035 . 6.000 4.746 4.549 4.851 . 0 0 "[ . 1]" 1
338 1 25 GLN HA 1 25 GLN HG3 2.372 . 6.000 3.641 2.978 3.778 . 0 0 "[ . 1]" 1
339 1 25 GLN HB3 1 25 GLN HG3 2.419 . 3.150 2.519 2.430 3.009 . 0 0 "[ . 1]" 1
340 1 21 LEU QD 1 25 GLN HG3 3.115 . 6.000 4.219 3.857 4.656 . 0 0 "[ . 1]" 1
341 1 21 LEU HB2 1 25 GLN HG2 3.009 . 6.000 4.204 4.010 4.723 . 0 0 "[ . 1]" 1
342 1 58 TYR HE2 1 85 GLU HB2 2.775 . 3.738 2.599 2.329 2.994 . 0 0 "[ . 1]" 1
343 1 25 GLN HG3 1 48 ARG HB3 2.633 . 6.000 4.925 4.172 6.095 0.095 3 0 "[ . 1]" 1
344 1 25 GLN HB2 1 25 GLN HG3 2.410 . 3.136 2.394 2.299 2.439 . 0 0 "[ . 1]" 1
345 1 58 TYR HE2 1 85 GLU HB3 3.012 . 4.146 4.077 3.915 4.189 0.043 5 0 "[ . 1]" 1
346 1 85 GLU HB3 1 85 GLU HG3 2.486 . 3.258 2.684 2.433 3.000 . 0 0 "[ . 1]" 1
347 1 22 PRO QD 1 84 VAL HB 3.128 . 4.351 2.865 2.051 3.268 . 0 0 "[ . 1]" 1
348 1 61 GLN HA 1 61 GLN QG 2.397 . 3.115 2.569 2.379 2.940 . 0 0 "[ . 1]" 1
349 1 61 GLN HB2 1 61 GLN QG 2.331 . 3.010 2.265 2.149 2.373 . 0 0 "[ . 1]" 1
350 1 59 ARG QB 1 68 ILE MD 2.373 . 3.077 2.107 1.891 2.995 . 0 0 "[ . 1]" 1
351 1 19 VAL HA 1 19 VAL HB 2.916 . 3.979 2.997 2.986 3.013 . 0 0 "[ . 1]" 1
352 1 61 GLN HB3 1 61 GLN QG 2.341 . 3.018 2.334 2.257 2.422 . 0 0 "[ . 1]" 1
353 1 59 ARG QB 1 59 ARG HG2 2.499 . 3.280 2.374 2.273 2.414 . 0 0 "[ . 1]" 1
354 1 57 VAL HB 1 84 VAL MG2 2.545 . 6.000 4.511 4.272 4.725 . 0 0 "[ . 1]" 1
355 1 29 VAL HB 1 41 LEU QD 2.601 . 6.000 3.532 3.084 4.181 . 0 0 "[ . 1]" 1
356 1 26 ARG HB2 1 26 ARG HG3 2.250 . 2.883 2.437 2.284 2.493 . 0 0 "[ . 1]" 1
357 1 20 PHE HA 1 26 ARG HB2 2.963 . 4.061 3.253 2.997 4.114 0.053 6 0 "[ . 1]" 1
358 1 66 LYS HA 1 66 LYS QB 2.590 . 3.099 2.395 2.319 2.522 . 0 0 "[ . 1]" 1
359 1 66 LYS QB 1 66 LYS HG2 2.391 . 3.025 2.262 2.134 2.360 . 0 0 "[ . 1]" 1
360 1 35 VAL HB 1 35 VAL MG2 2.161 . 6.000 2.089 2.079 2.105 . 0 0 "[ . 1]" 1
361 1 55 CYS HA 1 55 CYS HB2 2.744 . 3.685 3.023 3.020 3.028 . 0 0 "[ . 1]" 1
362 1 55 CYS HB2 1 84 VAL MG2 2.842 . 6.000 4.260 4.122 4.460 . 0 0 "[ . 1]" 1
363 1 55 CYS HB2 1 70 TRP HH2 3.214 . 4.505 3.271 2.881 3.512 . 0 0 "[ . 1]" 1
364 1 52 PRO HA 1 55 CYS HB2 2.993 . 4.113 2.275 2.076 2.437 . 0 0 "[ . 1]" 1
365 1 55 CYS HB2 1 70 TRP HZ2 2.606 . 3.455 2.649 2.230 3.012 . 0 0 "[ . 1]" 1
366 1 55 CYS HB3 1 70 TRP HZ2 2.727 . 3.657 3.004 2.518 3.319 . 0 0 "[ . 1]" 1
367 1 55 CYS HB3 1 70 TRP HH2 3.223 . 4.522 3.787 3.486 4.168 . 0 0 "[ . 1]" 1
368 1 55 CYS HA 1 55 CYS HB3 2.612 . 3.465 2.477 2.461 2.503 . 0 0 "[ . 1]" 1
369 1 55 CYS HB3 1 84 VAL MG2 2.824 . 3.821 3.582 3.398 3.647 . 0 0 "[ . 1]" 1
370 1 58 TYR HE1 1 67 PRO HB3 3.084 . 4.273 3.159 2.680 3.713 . 0 0 "[ . 1]" 1
371 1 67 PRO HB3 1 67 PRO HD3 2.922 . 3.989 3.734 3.165 4.056 0.067 10 0 "[ . 1]" 1
372 1 67 PRO HB3 1 67 PRO HG2 2.374 . 3.078 2.792 2.663 2.969 . 0 0 "[ . 1]" 1
373 1 67 PRO HA 1 67 PRO HB2 2.550 . 3.363 2.856 2.721 2.957 . 0 0 "[ . 1]" 1
374 1 67 PRO HB2 1 67 PRO HG3 2.260 . 2.899 2.879 2.693 2.990 0.091 10 0 "[ . 1]" 1
375 1 52 PRO HA 1 55 CYS HB3 3.015 . 4.152 3.857 3.654 4.004 . 0 0 "[ . 1]" 1
376 1 42 LYS HB3 1 46 MET QB 2.874 . 3.907 3.924 3.778 3.994 0.087 9 0 "[ . 1]" 1
377 1 86 VAL HA 1 86 VAL HB 2.599 . 3.444 2.882 2.365 3.026 . 0 0 "[ . 1]" 1
378 1 58 TYR HB3 1 65 LYS HB3 3.195 . 4.471 2.722 2.312 3.078 . 0 0 "[ . 1]" 1
379 1 65 LYS HB3 1 65 LYS HG3 2.380 . 3.088 2.993 2.987 2.999 . 0 0 "[ . 1]" 1
380 1 65 LYS HB3 1 65 LYS HG2 2.592 . 3.432 2.435 2.364 2.488 . 0 0 "[ . 1]" 1
381 1 46 MET QB 1 52 PRO HG2 2.814 . 6.000 5.598 5.051 5.789 . 0 0 "[ . 1]" 1
382 1 14 LYS HB2 1 15 PRO HD3 3.165 . 6.000 4.746 4.416 5.159 . 0 0 "[ . 1]" 1
383 1 14 LYS HB2 1 14 LYS HG2 2.521 . 3.315 2.899 2.454 3.011 . 0 0 "[ . 1]" 1
384 1 65 LYS HB2 1 65 LYS HD2 2.719 . 3.643 3.552 2.860 3.678 0.035 2 0 "[ . 1]" 1
385 1 30 PRO HA 1 30 PRO HB3 2.333 . 3.013 2.276 2.243 2.294 . 0 0 "[ . 1]" 1
386 1 46 MET ME 1 46 MET HG2 3.081 . 4.267 2.541 2.419 3.380 . 0 0 "[ . 1]" 1
387 1 12 PRO HA 1 12 PRO HB3 2.131 . 2.699 2.290 2.275 2.302 . 0 0 "[ . 1]" 1
388 1 12 PRO HB3 1 12 PRO HD2 3.152 . 4.394 3.849 3.838 3.862 . 0 0 "[ . 1]" 1
389 1 42 LYS HA 1 42 LYS HB3 2.433 . 3.173 2.807 2.670 2.873 . 0 0 "[ . 1]" 1
390 1 42 LYS HB3 1 42 LYS HG3 2.477 . 3.244 3.006 3.000 3.017 . 0 0 "[ . 1]" 1
391 1 42 LYS HA 1 42 LYS HB2 2.473 . 3.237 2.890 2.837 2.975 . 0 0 "[ . 1]" 1
392 1 43 LYS HA 1 47 MET HG3 2.511 . 4.299 3.183 3.069 3.308 . 0 0 "[ . 1]" 1
393 1 43 LYS HG3 1 47 MET HG2 2.802 . 3.784 3.571 3.492 3.645 . 0 0 "[ . 1]" 1
394 1 43 LYS HG2 1 47 MET HG3 2.565 . 4.388 3.907 3.834 4.011 . 0 0 "[ . 1]" 1
395 1 22 PRO HB3 1 22 PRO HG2 2.565 . 3.387 2.625 2.618 2.629 . 0 0 "[ . 1]" 1
396 1 81 GLU HB3 1 81 GLU HG3 2.560 . 3.379 2.808 2.453 3.009 . 0 0 "[ . 1]" 1
397 1 43 LYS HD3 1 47 MET HG2 2.682 . 3.581 3.484 2.815 3.681 0.100 4 0 "[ . 1]" 1
398 1 20 PHE HE1 1 81 GLU HB2 3.115 . 4.328 3.786 3.377 4.192 . 0 0 "[ . 1]" 1
399 1 81 GLU HB2 1 81 GLU HG3 2.557 . 3.374 2.631 2.319 3.009 . 0 0 "[ . 1]" 1
400 1 32 ARG QB 1 35 VAL MG1 3.189 . 4.460 2.068 1.774 3.299 0.144 7 0 "[ . 1]" 1
401 1 37 VAL HB 1 70 TRP HE3 3.209 . 4.496 3.809 3.252 4.332 . 0 0 "[ . 1]" 1
402 1 32 ARG QB 1 35 VAL MG2 2.509 . 6.000 3.060 2.503 4.026 . 0 0 "[ . 1]" 1
403 1 32 ARG QB 1 35 VAL HB 3.034 . 4.185 2.152 1.797 3.242 0.086 1 0 "[ . 1]" 1
404 1 37 VAL HA 1 37 VAL HB 2.970 . 4.072 2.841 2.354 3.040 . 0 0 "[ . 1]" 1
405 1 15 PRO HB3 1 15 PRO HD3 3.099 . 4.299 3.667 2.912 4.046 . 0 0 "[ . 1]" 1
406 1 18 ARG HA 1 18 ARG HB3 2.689 . 3.593 2.472 2.441 2.495 . 0 0 "[ . 1]" 1
407 1 18 ARG HB3 1 28 VAL QG 2.965 . 4.064 2.939 2.293 3.193 . 0 0 "[ . 1]" 1
408 1 18 ARG HA 1 18 ARG HB2 2.770 . 3.729 3.019 3.011 3.025 . 0 0 "[ . 1]" 1
409 1 15 PRO HA 1 15 PRO HB2 2.462 . 3.220 2.843 2.690 2.954 . 0 0 "[ . 1]" 1
410 1 15 PRO HB2 1 15 PRO HD2 3.183 . 4.450 3.381 2.959 4.061 . 0 0 "[ . 1]" 1
411 1 38 ARG HA 1 38 ARG HB3 2.936 . 4.014 2.543 2.325 2.962 . 0 0 "[ . 1]" 1
412 1 88 GLU HB3 1 90 VAL MG2 3.012 . 6.000 4.379 3.118 5.814 . 0 0 "[ . 1]" 1
413 1 88 GLU HB2 1 88 GLU HG2 2.362 . 3.059 3.007 3.003 3.010 . 0 0 "[ . 1]" 1
414 1 38 ARG HB2 1 70 TRP HE3 3.184 . 4.451 4.077 3.413 4.494 0.043 8 0 "[ . 1]" 1
415 1 38 ARG HB2 1 38 ARG HG2 2.898 . 3.948 2.990 2.972 2.997 . 0 0 "[ . 1]" 1
416 1 70 TRP HB3 1 70 TRP HE3 3.085 . 4.274 2.614 2.508 2.693 . 0 0 "[ . 1]" 1
417 1 38 ARG HB2 1 70 TRP HB3 2.984 . 4.097 3.632 2.541 4.173 0.076 8 0 "[ . 1]" 1
418 1 70 TRP HB2 1 70 TRP HE3 2.969 . 4.071 4.121 4.062 4.150 0.079 10 0 "[ . 1]" 1
419 1 38 ARG HB3 1 70 TRP HB2 3.044 . 6.000 4.726 3.323 5.754 . 0 0 "[ . 1]" 1
420 1 38 ARG HB3 1 70 TRP HE3 3.145 . 4.381 3.785 2.257 4.605 0.224 2 0 "[ . 1]" 1
421 1 38 ARG HB3 1 70 TRP HB3 2.979 . 4.089 3.250 1.979 4.180 0.091 6 0 "[ . 1]" 1
422 1 21 LEU QD 1 25 GLN HB3 2.941 . 4.022 2.554 2.288 2.798 . 0 0 "[ . 1]" 1
423 1 25 GLN HB2 1 25 GLN HG2 2.696 . 3.604 2.519 2.420 3.013 . 0 0 "[ . 1]" 1
424 1 21 LEU HB2 1 25 GLN HB2 2.796 . 3.773 1.837 1.760 1.922 0.059 2 0 "[ . 1]" 1
425 1 52 PRO HB2 1 52 PRO HG3 2.814 . 3.804 2.979 2.964 2.990 . 0 0 "[ . 1]" 1
426 1 45 LEU QD 1 52 PRO HB2 3.087 . 4.278 3.664 3.496 4.194 . 0 0 "[ . 1]" 1
427 1 48 ARG HB3 1 50 LEU QD 2.780 . 3.746 2.112 2.006 2.224 . 0 0 "[ . 1]" 1
428 1 21 LEU HB2 1 25 GLN HB3 2.835 . 5.000 2.786 2.382 3.091 . 0 0 "[ . 1]" 1
429 1 48 ARG HB2 1 50 LEU QD 2.908 . 3.965 2.553 2.151 2.994 . 0 0 "[ . 1]" 1
430 1 74 ILE HG12 1 74 ILE MG 2.211 . 2.822 2.492 2.259 2.582 . 0 0 "[ . 1]" 1
431 1 24 LYS HA 1 24 LYS HB2 2.434 . 3.175 3.014 3.008 3.019 . 0 0 "[ . 1]" 1
432 1 24 LYS HB2 1 24 LYS HD2 2.887 . 3.929 3.939 3.704 4.178 0.249 1 0 "[ . 1]" 1
433 1 65 LYS HB2 1 65 LYS HD3 2.702 . 3.614 2.544 2.359 3.662 0.048 9 0 "[ . 1]" 1
434 1 65 LYS HB3 1 65 LYS HD3 2.607 . 6.000 2.931 2.636 3.679 . 0 0 "[ . 1]" 1
435 1 65 LYS HD3 1 65 LYS HG2 2.546 . 3.356 2.921 2.372 2.993 . 0 0 "[ . 1]" 1
436 1 65 LYS HB3 1 65 LYS HD2 2.565 . 3.387 3.586 2.482 3.774 0.387 6 0 "[ . 1]" 1
437 1 24 LYS HA 1 24 LYS HB3 2.419 . 3.150 2.503 2.469 2.548 . 0 0 "[ . 1]" 1
438 1 24 LYS HA 1 24 LYS HD2 2.772 . 3.732 3.001 1.957 4.034 0.302 9 0 "[ . 1]" 1
439 1 24 LYS HB3 1 24 LYS HD2 2.424 . 3.158 3.243 2.873 3.571 0.413 1 0 "[ . 1]" 1
440 1 60 ILE MD 1 65 LYS HD3 3.081 . 4.267 3.967 3.547 4.112 . 0 0 "[ . 1]" 1
441 1 65 LYS HD2 1 65 LYS HG2 2.433 . 3.173 2.514 2.452 2.583 . 0 0 "[ . 1]" 1
442 1 60 ILE MD 1 65 LYS HD2 3.008 . 4.139 3.679 3.209 3.912 . 0 0 "[ . 1]" 1
443 1 54 CYS HA 1 54 CYS HB3 2.433 . 3.173 2.919 2.491 3.030 . 0 0 "[ . 1]" 1
444 1 54 CYS HB3 1 86 VAL QG 3.160 . 4.408 3.489 2.977 4.116 . 0 0 "[ . 1]" 1
445 1 54 CYS HA 1 54 CYS HB2 2.533 . 3.335 2.566 2.402 3.023 . 0 0 "[ . 1]" 1
446 1 51 ILE MD 1 54 CYS HB2 3.115 . 4.328 2.806 2.301 3.815 . 0 0 "[ . 1]" 1
447 1 51 ILE MD 1 54 CYS HB3 2.965 . 4.064 3.041 2.331 3.975 . 0 0 "[ . 1]" 1
448 1 53 GLU HB3 1 53 GLU HG3 2.543 . 3.351 2.708 2.395 3.010 . 0 0 "[ . 1]" 1
449 1 53 GLU HA 1 53 GLU HB3 2.552 . 3.366 2.601 2.429 3.023 . 0 0 "[ . 1]" 1
450 1 66 LYS HA 1 66 LYS HD2 2.775 . 3.738 2.919 2.013 3.480 . 0 0 "[ . 1]" 1
451 1 66 LYS HD2 1 67 PRO HD2 3.108 . 4.315 4.213 2.931 4.843 0.528 3 1 "[ + . 1]" 1
452 1 51 ILE MD 1 53 GLU HB3 2.919 . 3.984 3.351 1.969 3.837 . 0 0 "[ . 1]" 1
453 1 53 GLU HB2 1 53 GLU HG3 2.475 . 3.240 2.557 2.414 3.008 . 0 0 "[ . 1]" 1
454 1 53 GLU HB2 1 53 GLU HG2 2.482 . 3.252 2.711 2.409 3.009 . 0 0 "[ . 1]" 1
455 1 53 GLU HA 1 53 GLU HB2 2.567 . 3.391 2.901 2.449 3.021 . 0 0 "[ . 1]" 1
456 1 76 TRP HB3 1 76 TRP HE3 3.079 . 4.264 2.729 2.604 2.868 . 0 0 "[ . 1]" 1
457 1 76 TRP HB2 1 77 LEU QD 3.034 . 4.184 2.628 1.775 3.325 0.109 10 0 "[ . 1]" 1
458 1 51 ILE MD 1 53 GLU HB2 2.874 . 3.906 2.541 2.007 3.703 . 0 0 "[ . 1]" 1
459 1 76 TRP HA 1 76 TRP HB3 2.624 . 3.485 2.494 2.453 2.529 . 0 0 "[ . 1]" 1
460 1 76 TRP HB3 1 77 LEU QD 3.112 . 4.322 3.106 2.410 3.546 . 0 0 "[ . 1]" 1
461 1 72 THR MG 1 76 TRP HB3 3.124 . 6.000 3.749 3.412 4.163 . 0 0 "[ . 1]" 1
462 1 76 TRP HA 1 76 TRP HB2 2.828 . 3.828 3.031 3.025 3.036 . 0 0 "[ . 1]" 1
463 1 76 TRP HB2 1 77 LEU HG 3.174 . 4.433 3.451 2.502 4.673 0.240 10 0 "[ . 1]" 1
464 1 22 PRO HG3 1 86 VAL QG 2.933 . 4.008 2.321 1.981 2.705 . 0 0 "[ . 1]" 1
465 1 22 PRO HG3 1 84 VAL MG1 2.995 . 4.116 2.688 2.406 3.159 . 0 0 "[ . 1]" 1
466 1 22 PRO HG3 1 50 LEU QD 2.773 . 6.000 3.594 3.419 4.133 . 0 0 "[ . 1]" 1
467 1 22 PRO HG2 1 86 VAL QG 2.776 . 3.739 2.854 2.525 3.187 . 0 0 "[ . 1]" 1
468 1 22 PRO HG2 1 84 VAL MG1 3.040 . 6.000 3.425 3.057 3.862 . 0 0 "[ . 1]" 1
469 1 22 PRO HG2 1 50 LEU QD 2.680 . 3.578 2.210 1.919 3.056 . 0 0 "[ . 1]" 1
470 1 18 ARG HB2 1 18 ARG HG2 2.366 . 3.066 3.003 2.997 3.012 . 0 0 "[ . 1]" 1
471 1 16 ILE HG13 1 18 ARG HG3 2.979 . 6.000 5.815 5.105 6.197 0.197 10 0 "[ . 1]" 1
472 1 15 PRO HA 1 15 PRO HG3 2.732 . 3.665 3.514 3.066 4.040 0.375 1 0 "[ . 1]" 1
473 1 15 PRO HD2 1 15 PRO HG2 2.625 . 3.486 2.306 2.269 2.319 . 0 0 "[ . 1]" 1
474 1 11 SER HA 1 12 PRO HG3 2.909 . 3.967 4.171 4.006 4.372 0.405 9 0 "[ . 1]" 1
475 1 45 LEU HB3 1 45 LEU HG 2.673 . 3.566 2.761 2.443 2.915 . 0 0 "[ . 1]" 1
476 1 45 LEU HB2 1 45 LEU HG 2.481 . 3.251 2.791 2.317 2.947 . 0 0 "[ . 1]" 1
477 1 18 ARG HB2 1 18 ARG HG3 2.186 . 2.784 2.438 2.399 2.471 . 0 0 "[ . 1]" 1
478 1 66 LYS HA 1 67 PRO HG3 2.653 . 6.000 4.302 4.137 4.482 . 0 0 "[ . 1]" 1
479 1 67 PRO HD2 1 67 PRO HG3 2.139 . 2.711 2.910 2.757 3.000 0.289 4 0 "[ . 1]" 1
480 1 66 LYS HA 1 67 PRO HG2 2.692 . 6.000 4.402 4.264 4.495 . 0 0 "[ . 1]" 1
481 1 58 TYR HE1 1 67 PRO HG2 3.218 . 4.512 4.027 3.664 4.559 0.047 7 0 "[ . 1]" 1
482 1 52 PRO HB3 1 52 PRO HG2 2.707 . 3.623 2.692 2.672 2.730 . 0 0 "[ . 1]" 1
483 1 51 ILE HA 1 52 PRO HG2 3.154 . 4.398 4.364 4.336 4.391 . 0 0 "[ . 1]" 1
484 1 32 ARG HA 1 32 ARG HG3 2.749 . 3.694 3.021 2.751 3.195 . 0 0 "[ . 1]" 1
485 1 21 LEU HA 1 21 LEU HG 2.768 . 3.726 3.354 2.594 3.810 0.084 2 0 "[ . 1]" 1
486 1 52 PRO HD2 1 52 PRO HG3 2.872 . 3.903 2.992 2.987 2.997 . 0 0 "[ . 1]" 1
487 1 55 CYS HA 1 87 LEU HG 3.000 . 6.000 4.083 2.392 5.292 . 0 0 "[ . 1]" 1
488 1 87 LEU HA 1 87 LEU HG 2.794 . 3.770 2.831 2.503 3.344 . 0 0 "[ . 1]" 1
489 1 33 CYS HA 1 33 CYS HB3 2.437 . 3.179 2.708 2.347 3.030 . 0 0 "[ . 1]" 1
490 1 33 CYS HA 1 33 CYS HB2 2.417 . 3.147 2.609 2.453 3.027 . 0 0 "[ . 1]" 1
491 1 82 LEU HB2 1 82 LEU HG 2.510 . 3.298 2.613 2.418 3.015 . 0 0 "[ . 1]" 1
492 1 33 CYS HB3 1 75 SER QB 3.151 . 4.392 4.035 3.396 4.902 0.510 7 1 "[ . + 1]" 1
493 1 38 ARG HB2 1 38 ARG HG3 2.822 . 3.817 2.419 2.341 2.496 . 0 0 "[ . 1]" 1
494 1 59 ARG HD3 1 59 ARG HG3 2.643 . 3.516 2.615 2.449 3.007 . 0 0 "[ . 1]" 1
495 1 59 ARG HD2 1 59 ARG HG3 2.777 . 3.741 2.847 2.429 3.008 . 0 0 "[ . 1]" 1
496 1 59 ARG HG3 1 66 LYS QB 2.978 . 4.087 2.358 1.949 3.581 . 0 0 "[ . 1]" 1
497 1 26 ARG HB3 1 26 ARG HG2 2.196 . 2.799 2.407 2.359 2.524 . 0 0 "[ . 1]" 1
498 1 59 ARG HA 1 59 ARG HG3 3.056 . 4.223 3.736 2.790 3.885 . 0 0 "[ . 1]" 1
499 1 59 ARG HG3 1 68 ILE MD 2.693 . 3.600 3.226 1.601 3.492 0.185 3 0 "[ . 1]" 1
500 1 20 PHE HE1 1 26 ARG HG3 3.126 . 4.348 4.175 3.612 4.436 0.088 6 0 "[ . 1]" 1
501 1 20 PHE HD1 1 26 ARG HG3 2.984 . 4.097 3.897 2.947 4.168 0.071 3 0 "[ . 1]" 1
502 1 50 LEU HA 1 51 ILE HG12 3.033 . 5.033 3.938 3.709 5.039 0.006 5 0 "[ . 1]" 1
503 1 51 ILE HB 1 51 ILE HG13 2.603 . 3.450 2.572 2.502 2.978 . 0 0 "[ . 1]" 1
504 1 51 ILE HB 1 51 ILE HG12 2.824 . 3.821 2.989 2.674 3.027 . 0 0 "[ . 1]" 1
505 1 45 LEU QD 1 70 TRP HZ2 2.910 . 6.000 3.879 3.653 4.243 . 0 0 "[ . 1]" 1
506 1 50 LEU HB3 1 50 LEU QD 2.265 . 2.906 2.196 2.090 2.510 . 0 0 "[ . 1]" 1
507 1 45 LEU QD 1 70 TRP HZ3 2.783 . 3.751 2.995 2.692 3.408 . 0 0 "[ . 1]" 1
508 1 45 LEU QD 1 70 TRP HH2 2.488 . 3.262 2.279 2.008 2.733 . 0 0 "[ . 1]" 1
509 1 41 LEU HA 1 45 LEU QD 3.061 . 6.000 3.575 3.123 3.923 . 0 0 "[ . 1]" 1
510 1 42 LYS HA 1 45 LEU QD 2.552 . 3.366 3.105 2.958 3.225 . 0 0 "[ . 1]" 1
511 1 45 LEU HB2 1 45 LEU QD 2.225 . 2.844 2.128 2.067 2.446 . 0 0 "[ . 1]" 1
512 1 16 ILE MD 1 16 ILE HG13 2.078 . 2.618 2.113 2.106 2.119 . 0 0 "[ . 1]" 1
513 1 16 ILE HA 1 16 ILE HG12 3.111 . 4.321 4.221 4.191 4.241 . 0 0 "[ . 1]" 1
514 1 16 ILE MD 1 16 ILE HG12 2.106 . 6.000 2.106 2.098 2.116 . 0 0 "[ . 1]" 1
515 1 45 LEU HA 1 45 LEU QD 2.691 . 6.000 2.756 2.072 3.012 . 0 0 "[ . 1]" 1
516 1 45 LEU HB3 1 45 LEU QD 2.373 . 2.961 2.065 2.011 2.272 . 0 0 "[ . 1]" 1
517 1 45 LEU QD 1 52 PRO HA 2.703 . 3.363 2.111 1.946 2.812 . 0 0 "[ . 1]" 1
518 1 45 LEU QD 1 45 LEU HG 2.199 . 2.709 1.876 1.844 1.886 . 0 0 "[ . 1]" 1
519 1 16 ILE HB 1 16 ILE HG13 2.458 . 3.213 3.016 3.008 3.023 . 0 0 "[ . 1]" 1
520 1 16 ILE HB 1 16 ILE HG12 2.610 . 3.462 2.538 2.521 2.567 . 0 0 "[ . 1]" 1
521 1 87 LEU HB3 1 87 LEU QD 2.183 . 2.765 2.232 2.091 2.346 . 0 0 "[ . 1]" 1
522 1 45 LEU QD 1 55 CYS HB2 3.101 . 5.993 2.913 2.613 3.528 . 0 0 "[ . 1]" 1
523 1 21 LEU QD 1 22 PRO QD 2.938 . 5.500 2.929 2.722 3.061 . 0 0 "[ . 1]" 1
524 1 21 LEU QD 1 25 GLN HB2 2.512 . 6.000 2.888 2.749 3.025 . 0 0 "[ . 1]" 1
525 1 43 LYS HA 1 43 LYS HG3 2.515 . 3.306 2.820 2.706 2.966 . 0 0 "[ . 1]" 1
526 1 43 LYS HA 1 43 LYS HG2 2.495 . 6.000 3.772 3.605 3.836 . 0 0 "[ . 1]" 1
527 1 65 LYS HD2 1 65 LYS HG3 2.307 . 2.972 2.426 2.317 2.996 0.024 9 0 "[ . 1]" 1
528 1 41 LEU QD 1 57 VAL MG2 2.388 . 3.101 2.394 1.967 2.659 . 0 0 "[ . 1]" 1
529 1 41 LEU QD 1 57 VAL MG1 2.550 . 6.000 2.748 2.382 3.093 . 0 0 "[ . 1]" 1
530 1 21 LEU QD 1 26 ARG HA 2.517 . 5.000 2.448 2.202 3.340 . 0 0 "[ . 1]" 1
531 1 21 LEU HA 1 21 LEU QD 2.443 . 4.500 2.400 2.037 3.137 . 0 0 "[ . 1]" 1
532 1 64 GLU HA 1 65 LYS HG2 2.826 . 5.500 4.656 4.170 4.996 . 0 0 "[ . 1]" 1
533 1 65 LYS HB2 1 65 LYS HG2 2.160 . 2.743 2.973 2.960 2.980 0.237 6 0 "[ . 1]" 1
534 1 41 LEU QD 1 70 TRP HZ3 2.497 . 3.276 2.969 2.543 3.109 . 0 0 "[ . 1]" 1
535 1 41 LEU QD 1 70 TRP HH2 2.665 . 3.553 3.068 2.802 3.277 . 0 0 "[ . 1]" 1
536 1 40 SER QB 1 41 LEU QD 2.899 . 6.000 2.502 2.356 2.727 . 0 0 "[ . 1]" 1
537 1 41 LEU QD 1 44 ALA MB 2.813 . 6.000 2.718 2.395 3.457 . 0 0 "[ . 1]" 1
538 1 37 VAL HA 1 41 LEU QD 2.875 . 3.908 2.989 2.278 3.521 . 0 0 "[ . 1]" 1
539 1 41 LEU HB3 1 41 LEU QD 2.337 . 3.020 2.138 2.083 2.259 . 0 0 "[ . 1]" 1
540 1 82 LEU HB2 1 82 LEU QD 2.207 . 2.816 2.220 2.140 2.334 . 0 0 "[ . 1]" 1
541 1 57 VAL MG2 1 82 LEU QD 2.357 . 6.000 3.616 3.242 3.996 . 0 0 "[ . 1]" 1
542 1 14 LYS HE2 1 14 LYS HG2 2.324 . 2.999 3.056 2.529 3.722 0.723 4 3 "[ *+. - 1]" 1
543 1 61 GLN QG 1 66 LYS HG2 2.944 . 4.027 2.717 2.159 3.123 . 0 0 "[ . 1]" 1
544 1 41 LEU HB3 1 45 LEU QD 2.517 . 6.000 2.324 2.176 2.517 . 0 0 "[ . 1]" 1
545 1 45 LEU QD 1 51 ILE HA 2.839 . 3.847 3.470 3.386 3.603 . 0 0 "[ . 1]" 1
546 1 45 LEU QD 1 50 LEU HB3 2.193 . 2.794 1.988 1.812 2.128 . 0 0 "[ . 1]" 1
547 1 82 LEU HA 1 82 LEU QD 2.184 . 2.780 1.991 1.859 2.149 . 0 0 "[ . 1]" 1
548 1 80 GLU HB3 1 82 LEU QD 2.561 . 3.381 2.793 2.605 2.948 . 0 0 "[ . 1]" 1
549 1 82 LEU QD 1 82 LEU HG 1.963 . 6.000 1.886 1.880 1.890 . 0 0 "[ . 1]" 1
550 1 57 VAL MG1 1 82 LEU QD 2.374 . 6.000 2.033 1.789 2.339 . 0 0 "[ . 1]" 1
551 1 21 LEU QD 1 45 LEU HA 2.750 . 6.000 3.154 2.319 3.819 . 0 0 "[ . 1]" 1
552 1 59 ARG QB 1 82 LEU QD 2.246 . 2.876 2.190 1.799 3.584 0.708 3 1 "[ + . 1]" 1
553 1 37 VAL MG2 1 70 TRP HA 2.863 . 6.000 2.978 1.776 3.633 0.062 6 0 "[ . 1]" 1
554 1 37 VAL MG2 1 72 THR HB 2.351 . 3.042 2.724 2.399 3.231 0.189 10 0 "[ . 1]" 1
555 1 37 VAL HA 1 37 VAL MG2 2.363 . 3.061 2.625 2.348 3.218 0.157 10 0 "[ . 1]" 1
556 1 37 VAL HB 1 37 VAL MG2 2.295 . 2.954 2.122 2.112 2.127 . 0 0 "[ . 1]" 1
557 1 37 VAL MG2 1 74 ILE HA 2.272 . 6.000 3.120 2.169 4.970 . 0 0 "[ . 1]" 1
558 1 37 VAL MG2 1 74 ILE HB 2.274 . 6.000 3.040 2.033 4.601 . 0 0 "[ . 1]" 1
559 1 59 ARG HD3 1 77 LEU QD 2.663 . 3.550 2.689 1.884 3.005 . 0 0 "[ . 1]" 1
560 1 77 LEU HB3 1 77 LEU QD 2.294 . 2.952 2.245 2.111 2.471 . 0 0 "[ . 1]" 1
561 1 37 VAL MG2 1 72 THR MG 2.231 . 4.000 3.431 2.895 4.265 0.265 10 0 "[ . 1]" 1
562 1 56 ALA MB 1 85 GLU HB3 2.892 . 6.000 4.758 4.340 5.072 . 0 0 "[ . 1]" 1
563 1 56 ALA MB 1 58 TYR HE2 2.450 . 3.201 2.376 1.965 2.635 . 0 0 "[ . 1]" 1
564 1 56 ALA MB 1 87 LEU HA 3.019 . 6.000 4.978 4.435 5.318 . 0 0 "[ . 1]" 1
565 1 56 ALA MB 1 85 GLU HG3 2.763 . 6.000 4.432 4.087 5.168 . 0 0 "[ . 1]" 1
566 1 56 ALA MB 1 85 GLU HG2 2.658 . 5.500 4.880 4.006 5.630 0.130 1 0 "[ . 1]" 1
567 1 56 ALA MB 1 85 GLU HB2 2.719 . 3.643 3.248 2.818 3.529 . 0 0 "[ . 1]" 1
568 1 56 ALA MB 1 87 LEU QD 1.855 . 6.000 1.911 1.788 2.141 . 0 0 "[ . 1]" 1
569 1 56 ALA HA 1 87 LEU QD 2.931 . 6.000 3.589 3.464 3.756 . 0 0 "[ . 1]" 1
570 1 87 LEU QD 1 87 LEU HG 1.919 . 2.379 1.890 1.887 1.892 . 0 0 "[ . 1]" 1
571 1 56 ALA HA 1 56 ALA MB 1.909 . 6.000 2.130 2.127 2.133 . 0 0 "[ . 1]" 1
572 1 56 ALA MB 1 57 VAL HA 3.138 . 6.000 4.158 4.122 4.208 . 0 0 "[ . 1]" 1
573 1 37 VAL MG1 1 70 TRP HE3 2.556 . 6.000 3.313 2.395 5.077 . 0 0 "[ . 1]" 1
574 1 37 VAL MG1 1 70 TRP HZ3 2.571 . 5.997 3.872 2.752 5.763 . 0 0 "[ . 1]" 1
575 1 37 VAL HA 1 37 VAL MG1 2.461 . 6.000 2.439 2.386 2.522 . 0 0 "[ . 1]" 1
576 1 37 VAL HB 1 37 VAL MG1 2.338 . 3.021 2.120 2.107 2.128 . 0 0 "[ . 1]" 1
577 1 37 VAL MG1 1 57 VAL MG1 2.523 . 6.000 2.913 2.635 3.567 . 0 0 "[ . 1]" 1
578 1 35 VAL HA 1 36 THR MG 2.782 . 6.000 3.895 3.664 4.098 . 0 0 "[ . 1]" 1
579 1 36 THR MG 1 73 ASP HA 2.598 . 3.442 3.323 3.263 3.377 . 0 0 "[ . 1]" 1
580 1 36 THR MG 1 71 ASP HB2 2.832 . 6.000 3.755 3.028 4.337 . 0 0 "[ . 1]" 1
581 1 22 PRO HB2 1 86 VAL QG 2.735 . 3.670 3.197 3.069 3.291 . 0 0 "[ . 1]" 1
582 1 17 VAL QG 1 79 GLY HA2 2.860 . 3.883 3.597 3.434 3.760 . 0 0 "[ . 1]" 1
583 1 17 VAL QG 1 78 THR HA 2.280 . 2.930 2.100 2.045 2.215 . 0 0 "[ . 1]" 1
584 1 78 THR MG 1 79 GLY HA3 2.943 . 4.026 3.130 3.041 3.171 . 0 0 "[ . 1]" 1
585 1 72 THR MG 1 73 ASP HA 2.966 . 4.065 3.939 3.917 3.964 . 0 0 "[ . 1]" 1
586 1 22 PRO HA 1 86 VAL QG 2.869 . 3.898 3.067 2.731 3.308 . 0 0 "[ . 1]" 1
587 1 22 PRO QD 1 86 VAL QG 3.126 . 6.000 3.842 3.643 4.080 . 0 0 "[ . 1]" 1
588 1 22 PRO HB3 1 86 VAL QG 2.823 . 3.819 1.929 1.860 2.092 . 0 0 "[ . 1]" 1
589 1 18 ARG HA 1 28 VAL QG 2.302 . 2.884 1.823 1.747 1.937 . 0 0 "[ . 1]" 1
590 1 28 VAL HB 1 28 VAL QG 1.968 . 2.274 1.875 1.866 1.883 . 0 0 "[ . 1]" 1
591 1 16 ILE HB 1 28 VAL QG 2.101 . 2.653 1.775 1.683 2.060 . 0 0 "[ . 1]" 1
592 1 18 ARG HG2 1 28 VAL QG 2.560 . 3.241 1.730 1.669 1.811 0.088 10 0 "[ . 1]" 1
593 1 17 VAL HA 1 17 VAL QG 2.145 . 6.000 2.452 2.157 2.649 . 0 0 "[ . 1]" 1
594 1 78 THR HB 1 78 THR MG 2.066 . 6.000 2.126 2.122 2.129 . 0 0 "[ . 1]" 1
595 1 78 THR HA 1 78 THR MG 2.235 . 2.860 2.386 2.350 2.428 . 0 0 "[ . 1]" 1
596 1 15 PRO HB2 1 78 THR MG 2.266 . 2.908 1.992 1.939 2.099 . 0 0 "[ . 1]" 1
597 1 31 ALA MB 1 78 THR MG 2.234 . 2.858 2.274 2.173 2.399 . 0 0 "[ . 1]" 1
598 1 15 PRO HG2 1 78 THR MG 2.526 . 3.324 2.580 2.448 2.808 . 0 0 "[ . 1]" 1
599 1 17 VAL QG 1 78 THR MG 2.496 . 6.000 3.405 3.333 3.503 . 0 0 "[ . 1]" 1
600 1 90 VAL HB 1 90 VAL MG2 2.264 . 2.905 2.130 2.124 2.134 . 0 0 "[ . 1]" 1
601 1 29 VAL MG1 1 30 PRO HD2 2.273 . 5.273 3.853 2.219 4.301 . 0 0 "[ . 1]" 1
602 1 35 VAL HA 1 35 VAL MG2 2.050 . 6.000 1.995 1.940 2.062 . 0 0 "[ . 1]" 1
603 1 19 VAL QG 1 82 LEU HA 2.972 . 4.076 3.846 3.770 4.008 . 0 0 "[ . 1]" 1
604 1 72 THR MG 1 77 LEU QD 2.131 . 6.000 2.627 2.257 3.323 . 0 0 "[ . 1]" 1
605 1 35 VAL MG1 1 40 SER HA 2.382 . 6.000 3.347 2.876 3.811 . 0 0 "[ . 1]" 1
606 1 35 VAL MG1 1 40 SER QB 3.002 . 4.129 2.237 1.878 3.134 . 0 0 "[ . 1]" 1
607 1 35 VAL MG1 1 39 ASP HB3 2.329 . 3.007 2.459 1.912 3.953 0.946 8 1 "[ . + 1]" 1
608 1 35 VAL MG1 1 35 VAL MG2 1.751 . 2.134 1.987 1.976 2.000 . 0 0 "[ . 1]" 1
609 1 55 CYS HA 1 84 VAL MG1 3.021 . 4.162 3.704 3.231 3.950 . 0 0 "[ . 1]" 1
610 1 29 VAL MG1 1 40 SER HA 2.760 . 5.300 4.280 2.763 4.925 . 0 0 "[ . 1]" 1
611 1 29 VAL HB 1 29 VAL MG1 2.064 . 6.000 2.121 2.117 2.125 . 0 0 "[ . 1]" 1
612 1 17 VAL QG 1 80 GLU HB2 2.640 . 3.511 3.191 2.595 3.362 . 0 0 "[ . 1]" 1
613 1 56 ALA HA 1 84 VAL MG2 2.602 . 6.000 4.546 4.340 4.665 . 0 0 "[ . 1]" 1
614 1 19 VAL HA 1 19 VAL QG 2.203 . 2.810 2.040 2.015 2.077 . 0 0 "[ . 1]" 1
615 1 19 VAL HB 1 19 VAL QG 2.116 . 2.578 1.890 1.880 1.904 . 0 0 "[ . 1]" 1
616 1 19 VAL QG 1 82 LEU HB3 2.312 . 2.980 2.539 2.016 2.929 . 0 0 "[ . 1]" 1
617 1 72 THR MG 1 76 TRP HE3 2.888 . 3.931 2.569 2.300 2.851 . 0 0 "[ . 1]" 1
618 1 72 THR HB 1 72 THR MG 2.070 . 2.605 2.132 2.128 2.134 . 0 0 "[ . 1]" 1
619 1 72 THR MG 1 76 TRP HB2 2.872 . 3.903 2.819 2.559 3.181 . 0 0 "[ . 1]" 1
620 1 35 VAL MG1 1 39 ASP HB2 2.262 . 5.000 3.666 2.869 4.234 . 0 0 "[ . 1]" 1
621 1 70 TRP HZ2 1 84 VAL MG1 2.823 . 3.819 3.331 2.447 3.719 . 0 0 "[ . 1]" 1
622 1 70 TRP HH2 1 84 VAL MG1 2.877 . 3.912 3.124 2.270 3.583 . 0 0 "[ . 1]" 1
623 1 84 VAL HA 1 84 VAL MG1 2.288 . 6.000 2.607 2.439 2.702 . 0 0 "[ . 1]" 1
624 1 55 CYS HB2 1 84 VAL MG1 2.617 . 3.473 2.887 2.633 3.038 . 0 0 "[ . 1]" 1
625 1 55 CYS HB3 1 84 VAL MG1 2.455 . 3.208 1.797 1.710 1.899 . 0 0 "[ . 1]" 1
626 1 84 VAL HB 1 84 VAL MG1 2.206 . 6.000 2.121 2.089 2.131 . 0 0 "[ . 1]" 1
627 1 84 VAL MG1 1 84 VAL MG2 1.817 . 6.000 2.045 1.991 2.077 . 0 0 "[ . 1]" 1
628 1 17 VAL QG 1 82 LEU HG 2.152 . 6.000 2.703 1.943 4.165 . 0 0 "[ . 1]" 1
629 1 19 VAL QG 1 84 VAL HB 2.949 . 6.000 2.805 2.570 3.227 . 0 0 "[ . 1]" 1
630 1 57 VAL MG2 1 70 TRP HZ2 3.111 . 4.321 3.049 2.820 3.223 . 0 0 "[ . 1]" 1
631 1 57 VAL HA 1 57 VAL MG2 2.321 . 2.994 2.465 2.390 2.514 . 0 0 "[ . 1]" 1
632 1 56 ALA HA 1 57 VAL MG2 3.020 . 4.160 3.188 3.083 3.275 . 0 0 "[ . 1]" 1
633 1 57 VAL MG2 1 68 ILE HB 2.616 . 6.000 3.589 3.427 3.706 . 0 0 "[ . 1]" 1
634 1 57 VAL HB 1 57 VAL MG2 2.107 . 6.000 2.123 2.112 2.131 . 0 0 "[ . 1]" 1
635 1 57 VAL MG2 1 84 VAL MG1 2.652 . 6.000 3.722 3.366 4.100 . 0 0 "[ . 1]" 1
636 1 57 VAL MG2 1 84 VAL MG2 1.924 . 6.000 2.117 1.919 2.414 . 0 0 "[ . 1]" 1
637 1 57 VAL MG2 1 70 TRP HH2 2.882 . 3.921 3.100 2.877 3.338 . 0 0 "[ . 1]" 1
638 1 56 ALA MB 1 57 VAL MG2 2.824 . 6.000 4.021 3.892 4.105 . 0 0 "[ . 1]" 1
639 1 57 VAL MG1 1 68 ILE HB 2.347 . 3.036 2.758 2.536 2.857 . 0 0 "[ . 1]" 1
640 1 28 VAL HA 1 28 VAL QG 2.247 . 6.000 2.134 2.016 2.522 . 0 0 "[ . 1]" 1
641 1 57 VAL HA 1 57 VAL MG1 2.468 . 3.229 2.300 2.265 2.353 . 0 0 "[ . 1]" 1
642 1 57 VAL HB 1 57 VAL MG1 2.074 . 2.612 2.122 2.119 2.125 . 0 0 "[ . 1]" 1
643 1 57 VAL MG1 1 84 VAL MG2 2.023 . 6.000 2.783 2.446 3.019 . 0 0 "[ . 1]" 1
644 1 90 VAL HB 1 90 VAL MG1 2.295 . 2.953 2.125 2.122 2.129 . 0 0 "[ . 1]" 1
645 1 27 THR HA 1 28 VAL QG 2.820 . 6.000 3.115 3.047 3.217 . 0 0 "[ . 1]" 1
646 1 18 ARG HG3 1 28 VAL QG 2.800 . 3.505 2.393 2.121 3.049 . 0 0 "[ . 1]" 1
647 1 16 ILE HG13 1 28 VAL QG 2.929 . 6.000 3.700 3.489 3.783 . 0 0 "[ . 1]" 1
648 1 90 VAL HA 1 90 VAL MG1 2.695 . 3.603 2.247 2.236 2.290 . 0 0 "[ . 1]" 1
649 1 35 VAL HA 1 74 ILE MG 2.937 . 6.000 4.621 4.464 4.770 . 0 0 "[ . 1]" 1
650 1 31 ALA HA 1 74 ILE MG 2.231 . 6.000 3.323 2.695 3.949 . 0 0 "[ . 1]" 1
651 1 74 ILE HA 1 74 ILE MG 2.493 . 6.000 3.106 3.011 3.164 . 0 0 "[ . 1]" 1
652 1 37 VAL HA 1 74 ILE MG 2.799 . 6.000 2.771 2.164 3.992 . 0 0 "[ . 1]" 1
653 1 35 VAL HB 1 74 ILE MG 2.394 . 6.000 3.724 3.387 4.176 . 0 0 "[ . 1]" 1
654 1 32 ARG QB 1 74 ILE MG 2.955 . 3.316 2.861 2.531 3.130 . 0 0 "[ . 1]" 1
655 1 74 ILE MD 1 74 ILE MG 2.039 . 2.559 1.920 1.765 2.036 . 0 0 "[ . 1]" 1
656 1 16 ILE MG 1 29 VAL HA 2.870 . 3.900 3.446 3.150 3.724 . 0 0 "[ . 1]" 1
657 1 16 ILE MG 1 30 PRO HA 2.265 . 2.906 2.075 1.905 2.255 . 0 0 "[ . 1]" 1
658 1 16 ILE HB 1 16 ILE MG 2.068 . 2.602 2.097 2.073 2.110 . 0 0 "[ . 1]" 1
659 1 16 ILE HG13 1 16 ILE MG 2.354 . 6.000 2.552 2.505 2.618 . 0 0 "[ . 1]" 1
660 1 16 ILE HG12 1 16 ILE MG 2.191 . 6.000 2.182 2.123 2.237 . 0 0 "[ . 1]" 1
661 1 16 ILE MG 1 28 VAL HB 2.792 . 3.766 3.110 2.754 3.668 . 0 0 "[ . 1]" 1
662 1 16 ILE MG 1 28 VAL QG 1.962 . 6.000 2.807 1.938 3.090 . 0 0 "[ . 1]" 1
663 1 29 VAL HA 1 29 VAL MG2 2.440 . 6.000 2.588 2.349 3.205 . 0 0 "[ . 1]" 1
664 1 29 VAL MG2 1 40 SER HA 2.692 . 6.000 3.458 2.622 5.276 . 0 0 "[ . 1]" 1
665 1 29 VAL MG2 1 40 SER QB 2.776 . 3.740 2.487 2.039 3.486 . 0 0 "[ . 1]" 1
666 1 29 VAL HB 1 29 VAL MG2 2.199 . 6.000 2.125 2.115 2.131 . 0 0 "[ . 1]" 1
667 1 29 VAL MG1 1 29 VAL MG2 1.808 . 6.000 2.077 2.062 2.088 . 0 0 "[ . 1]" 1
668 1 31 ALA MB 1 78 THR HA 2.403 . 3.125 2.312 2.202 2.386 . 0 0 "[ . 1]" 1
669 1 15 PRO HB2 1 31 ALA MB 2.234 . 6.000 2.697 2.315 3.035 . 0 0 "[ . 1]" 1
670 1 31 ALA MB 1 74 ILE MD 1.957 . 6.000 3.287 3.065 3.559 . 0 0 "[ . 1]" 1
671 1 31 ALA MB 1 78 THR HB 2.901 . 6.000 3.844 3.715 3.963 . 0 0 "[ . 1]" 1
672 1 31 ALA MB 1 77 LEU HB2 2.790 . 6.000 5.145 4.943 5.353 . 0 0 "[ . 1]" 1
673 1 30 PRO HA 1 31 ALA MB 2.712 . 6.000 3.950 3.920 3.987 . 0 0 "[ . 1]" 1
674 1 31 ALA MB 1 74 ILE HG12 2.468 . 6.000 2.885 2.630 3.186 . 0 0 "[ . 1]" 1
675 1 27 THR MG 1 28 VAL HA 2.893 . 6.000 3.377 3.065 3.494 . 0 0 "[ . 1]" 1
676 1 27 THR HB 1 27 THR MG 2.020 . 2.530 2.131 2.107 2.141 . 0 0 "[ . 1]" 1
677 1 19 VAL HB 1 27 THR MG 2.115 . 2.674 2.555 2.159 2.720 0.046 8 0 "[ . 1]" 1
678 1 21 LEU HG 1 27 THR MG 2.572 . 3.399 3.259 2.945 3.426 0.027 10 0 "[ . 1]" 1
679 1 51 ILE HG13 1 51 ILE MG 2.462 . 6.000 3.146 2.685 3.203 . 0 0 "[ . 1]" 1
680 1 51 ILE HG12 1 51 ILE MG 2.316 . 6.000 2.286 2.159 2.335 . 0 0 "[ . 1]" 1
681 1 21 LEU QD 1 27 THR MG 1.879 . 6.000 1.755 1.676 1.887 . 0 0 "[ . 1]" 1
682 1 51 ILE HA 1 51 ILE MG 2.257 . 2.894 2.235 2.194 2.289 . 0 0 "[ . 1]" 1
683 1 51 ILE MG 1 52 PRO HD3 2.707 . 3.623 3.481 3.429 3.553 . 0 0 "[ . 1]" 1
684 1 51 ILE MG 1 52 PRO HD2 2.644 . 6.000 3.636 3.545 3.842 . 0 0 "[ . 1]" 1
685 1 51 ILE HB 1 51 ILE MG 2.090 . 6.000 2.122 2.118 2.125 . 0 0 "[ . 1]" 1
686 1 44 ALA HA 1 44 ALA MB 1.926 . 6.000 2.131 2.125 2.137 . 0 0 "[ . 1]" 1
687 1 68 ILE HB 1 68 ILE MG 2.115 . 2.674 2.115 2.113 2.118 . 0 0 "[ . 1]" 1
688 1 68 ILE QG 1 68 ILE MG 2.137 . 2.708 2.181 2.040 2.291 . 0 0 "[ . 1]" 1
689 1 57 VAL MG1 1 68 ILE MG 2.489 . 6.000 3.141 2.810 3.301 . 0 0 "[ . 1]" 1
690 1 27 THR MG 1 44 ALA MB 2.117 . 2.677 1.829 1.761 2.002 . 0 0 "[ . 1]" 1
691 1 21 LEU QD 1 44 ALA MB 2.261 . 6.000 2.396 2.001 2.563 . 0 0 "[ . 1]" 1
692 1 60 ILE HA 1 60 ILE MG 2.184 . 2.780 2.429 2.237 2.626 . 0 0 "[ . 1]" 1
693 1 60 ILE MG 1 61 GLN HA 2.828 . 6.000 4.000 3.713 4.401 . 0 0 "[ . 1]" 1
694 1 60 ILE HB 1 60 ILE MG 2.027 . 6.000 2.130 2.128 2.134 . 0 0 "[ . 1]" 1
695 1 60 ILE MD 1 60 ILE MG 1.956 . 6.000 2.384 1.828 3.259 . 0 0 "[ . 1]" 1
696 1 60 ILE MG 1 64 GLU HA 3.126 . 4.347 3.953 3.584 4.202 . 0 0 "[ . 1]" 1
697 1 60 ILE MG 1 65 LYS HA 2.826 . 3.824 3.238 2.392 3.713 . 0 0 "[ . 1]" 1
698 1 46 MET HA 1 46 MET ME 2.955 . 4.047 3.385 1.812 3.707 0.051 7 0 "[ . 1]" 1
699 1 60 ILE QG 1 60 ILE MG 2.326 . 6.000 2.236 2.041 2.395 . 0 0 "[ . 1]" 1
700 1 44 ALA HA 1 47 MET ME 2.528 . 3.327 2.489 2.293 2.726 . 0 0 "[ . 1]" 1
701 1 43 LYS HE2 1 47 MET ME 2.472 . 6.000 4.269 3.863 5.273 . 0 0 "[ . 1]" 1
702 1 47 MET ME 1 47 MET HG2 2.169 . 4.000 3.408 3.404 3.410 . 0 0 "[ . 1]" 1
703 1 43 LYS HG3 1 47 MET ME 2.599 . 3.443 2.053 1.979 2.118 . 0 0 "[ . 1]" 1
704 1 47 MET ME 1 48 ARG H 3.127 . 6.000 4.699 4.385 4.905 . 0 0 "[ . 1]" 1
705 1 46 MET ME 1 51 ILE MG 2.525 . 3.322 2.455 1.951 3.170 . 0 0 "[ . 1]" 1
706 1 47 MET HA 1 47 MET ME 2.702 . 6.000 4.430 4.408 4.463 . 0 0 "[ . 1]" 1
707 1 43 LYS HG2 1 47 MET ME 2.411 . 3.137 3.007 2.854 3.293 0.156 10 0 "[ . 1]" 1
708 1 32 ARG HG3 1 74 ILE MD 3.110 . 4.319 3.848 3.551 5.254 0.935 10 1 "[ . +]" 1
709 1 32 ARG QB 1 74 ILE MD 2.698 . 3.608 3.423 2.613 3.549 . 0 0 "[ . 1]" 1
710 1 37 VAL HA 1 74 ILE MD 2.210 . 6.000 3.712 3.526 3.919 . 0 0 "[ . 1]" 1
711 1 16 ILE MD 1 28 VAL HB 2.529 . 3.329 3.357 3.108 3.504 0.175 10 0 "[ . 1]" 1
712 1 16 ILE HB 1 16 ILE MD 2.209 . 2.819 2.291 2.262 2.337 . 0 0 "[ . 1]" 1
713 1 16 ILE MD 1 18 ARG HG2 2.601 . 3.447 3.160 2.539 3.402 . 0 0 "[ . 1]" 1
714 1 16 ILE MD 1 17 VAL HA 2.854 . 3.872 3.499 3.313 3.596 . 0 0 "[ . 1]" 1
715 1 16 ILE HA 1 16 ILE MD 2.677 . 6.000 3.656 3.636 3.670 . 0 0 "[ . 1]" 1
716 1 16 ILE MD 1 28 VAL HA 2.841 . 6.000 4.660 4.373 5.103 . 0 0 "[ . 1]" 1
717 1 68 ILE HA 1 68 ILE MD 2.292 . 6.000 3.337 2.139 3.876 . 0 0 "[ . 1]" 1
718 1 59 ARG HG2 1 68 ILE MD 2.252 . 2.886 2.116 1.817 3.088 0.202 3 0 "[ . 1]" 1
719 1 57 VAL MG1 1 68 ILE MD 2.456 . 6.000 2.384 1.827 3.609 . 0 0 "[ . 1]" 1
720 1 59 ARG HA 1 68 ILE MD 2.889 . 3.932 3.611 3.391 3.850 . 0 0 "[ . 1]" 1
721 1 66 LYS QB 1 68 ILE MD 3.041 . 4.197 3.566 3.107 3.930 . 0 0 "[ . 1]" 1
722 1 51 ILE HA 1 51 ILE MD 2.952 . 6.000 4.142 3.789 4.186 . 0 0 "[ . 1]" 1
723 1 51 ILE HB 1 51 ILE MD 2.188 . 2.786 2.376 2.275 2.401 . 0 0 "[ . 1]" 1
724 1 51 ILE MD 1 51 ILE HG13 2.137 . 2.708 2.118 2.109 2.121 . 0 0 "[ . 1]" 1
725 1 51 ILE MD 1 51 ILE HG12 2.137 . 6.000 2.114 2.105 2.120 . 0 0 "[ . 1]" 1
726 1 60 ILE MD 1 83 HIS HD2 3.075 . 4.257 3.019 2.331 3.876 . 0 0 "[ . 1]" 1
727 1 58 TYR QD 1 60 ILE MD 2.782 . 6.000 3.604 3.313 4.024 . 0 0 "[ . 1]" 1
728 1 58 TYR HE1 1 60 ILE MD 2.546 . 6.000 5.402 5.153 5.660 . 0 0 "[ . 1]" 1
729 1 60 ILE HA 1 60 ILE MD 2.296 . 2.955 2.262 2.097 2.535 . 0 0 "[ . 1]" 1
730 1 60 ILE MD 1 65 LYS HA 2.505 . 3.289 2.031 1.802 2.414 . 0 0 "[ . 1]" 1
731 1 60 ILE HB 1 60 ILE MD 2.286 . 6.000 3.031 2.491 3.243 . 0 0 "[ . 1]" 1
732 1 60 ILE MD 1 65 LYS HB2 2.867 . 3.894 3.589 3.467 3.755 . 0 0 "[ . 1]" 1
733 1 60 ILE MD 1 60 ILE QG 2.191 . 2.791 1.859 1.839 1.877 . 0 0 "[ . 1]" 1
734 1 60 ILE MD 1 65 LYS HG3 2.536 . 3.340 3.175 2.871 3.312 . 0 0 "[ . 1]" 1
735 1 60 ILE MD 1 65 LYS HG2 1.903 . 2.356 1.753 1.667 1.865 . 0 0 "[ . 1]" 1
736 1 45 LEU HB3 1 52 PRO HA 3.236 . 4.545 4.583 4.503 4.646 0.101 2 0 "[ . 1]" 1
737 1 22 PRO HA 1 85 GLU HA 3.147 . 4.385 3.979 3.711 4.448 0.063 3 0 "[ . 1]" 1
738 1 67 PRO HA 1 67 PRO HB3 2.469 . 3.231 2.256 2.238 2.275 . 0 0 "[ . 1]" 1
739 1 29 VAL HB 1 40 SER QB 3.262 . 4.592 3.959 3.105 4.495 . 0 0 "[ . 1]" 1
740 1 29 VAL MG1 1 40 SER QB 2.749 . 3.694 2.775 2.060 3.493 . 0 0 "[ . 1]" 1
741 1 42 LYS HA 1 42 LYS HG3 2.845 . 3.857 2.584 2.466 2.805 . 0 0 "[ . 1]" 1
742 1 74 ILE MD 1 75 SER HA 3.084 . 6.000 4.774 4.618 4.905 . 0 0 "[ . 1]" 1
743 1 84 VAL HA 1 84 VAL MG2 2.249 . 2.881 2.247 2.187 2.339 . 0 0 "[ . 1]" 1
744 1 38 ARG HA 1 38 ARG HB2 2.841 . 3.850 2.749 2.501 3.009 . 0 0 "[ . 1]" 1
745 1 70 TRP HA 1 70 TRP HB2 2.842 . 3.852 3.010 2.998 3.024 . 0 0 "[ . 1]" 1
746 1 45 LEU HA 1 50 LEU HG 2.924 . 6.000 5.083 4.311 5.789 . 0 0 "[ . 1]" 1
747 1 24 LYS HA 1 24 LYS HD3 2.914 . 3.975 3.451 2.911 3.642 . 0 0 "[ . 1]" 1
748 1 60 ILE QG 1 65 LYS HA 2.677 . 6.000 3.335 2.470 4.007 . 0 0 "[ . 1]" 1
749 1 41 LEU HA 1 41 LEU HG 2.486 . 6.000 3.426 2.356 3.729 . 0 0 "[ . 1]" 1
750 1 17 VAL QG 1 80 GLU HA 2.988 . 6.000 4.472 4.204 4.705 . 0 0 "[ . 1]" 1
751 1 25 GLN HA 1 25 GLN HB3 2.378 . 3.085 2.542 2.507 2.574 . 0 0 "[ . 1]" 1
752 1 25 GLN HA 1 25 GLN HB2 2.487 . 3.260 3.017 3.004 3.030 . 0 0 "[ . 1]" 1
753 1 85 GLU HA 1 85 GLU HG2 2.527 . 3.325 2.864 2.532 3.238 . 0 0 "[ . 1]" 1
754 1 59 ARG HD2 1 77 LEU HA 2.627 . 6.000 4.285 3.621 4.713 . 0 0 "[ . 1]" 1
755 1 25 GLN HB3 1 48 ARG QD 2.742 . 3.682 3.201 2.686 3.482 . 0 0 "[ . 1]" 1
756 1 59 ARG HD3 1 59 ARG HG2 2.501 . 3.283 2.429 2.322 3.007 . 0 0 "[ . 1]" 1
757 1 59 ARG HD3 1 68 ILE MD 2.485 . 3.257 2.760 1.944 3.133 . 0 0 "[ . 1]" 1
758 1 77 LEU HA 1 80 GLU HG3 2.815 . 3.805 3.000 2.479 3.625 . 0 0 "[ . 1]" 1
759 1 85 GLU HB2 1 85 GLU HG3 2.533 . 3.335 2.328 2.271 2.416 . 0 0 "[ . 1]" 1
760 1 88 GLU HB2 1 88 GLU HG3 2.378 . 3.085 2.435 2.375 2.477 . 0 0 "[ . 1]" 1
761 1 85 GLU HB2 1 85 GLU HG2 2.313 . 2.982 2.688 2.442 2.997 0.015 4 0 "[ . 1]" 1
762 1 84 VAL HB 1 84 VAL MG2 2.290 . 2.945 2.121 2.118 2.123 . 0 0 "[ . 1]" 1
763 1 57 VAL HB 1 68 ILE MG 2.641 . 3.513 3.196 3.097 3.285 . 0 0 "[ . 1]" 1
764 1 14 LYS HB2 1 14 LYS HG3 2.308 . 2.974 2.514 2.403 3.008 0.034 4 0 "[ . 1]" 1
765 1 46 MET QB 1 46 MET HG3 2.097 . 2.646 2.206 2.137 2.480 . 0 0 "[ . 1]" 1
766 1 46 MET HA 1 46 MET HG3 2.753 . 3.701 3.427 2.050 3.679 . 0 0 "[ . 1]" 1
767 1 15 PRO HB2 1 15 PRO HD3 3.113 . 4.324 3.932 3.883 4.078 . 0 0 "[ . 1]" 1
768 1 38 ARG HB3 1 38 ARG HG3 2.860 . 3.882 2.996 2.971 3.008 . 0 0 "[ . 1]" 1
769 1 38 ARG HB3 1 38 ARG HG2 2.790 . 3.763 2.438 2.342 2.521 . 0 0 "[ . 1]" 1
770 1 13 GLN HB3 1 13 GLN HG2 2.588 . 3.425 2.601 2.401 3.010 . 0 0 "[ . 1]" 1
771 1 29 VAL MG2 1 74 ILE HG13 2.673 . 6.000 4.593 3.090 5.372 . 0 0 "[ . 1]" 1
772 1 16 ILE MD 1 18 ARG HG3 2.558 . 3.376 2.770 2.072 3.145 . 0 0 "[ . 1]" 1
773 1 45 LEU QD 1 52 PRO HG3 2.664 . 3.551 2.047 1.947 2.315 . 0 0 "[ . 1]" 1
774 1 65 LYS HB2 1 65 LYS HG3 2.506 . 3.291 2.409 2.355 2.472 . 0 0 "[ . 1]" 1
775 1 14 LYS HA 1 14 LYS HD3 3.201 . 4.482 4.258 2.083 4.821 0.339 3 0 "[ . 1]" 1
776 1 42 LYS HB3 1 42 LYS HG2 2.667 . 3.556 2.458 2.440 2.471 . 0 0 "[ . 1]" 1
777 1 37 VAL MG1 1 57 VAL MG2 2.351 . 6.000 2.479 1.900 3.926 . 0 0 "[ . 1]" 1
778 1 72 THR HA 1 72 THR MG 2.100 . 6.000 2.435 2.399 2.459 . 0 0 "[ . 1]" 1
779 1 57 VAL HA 1 84 VAL MG2 2.486 . 3.259 2.879 2.606 3.037 . 0 0 "[ . 1]" 1
780 1 26 ARG HA 1 26 ARG HD2 3.142 . 4.376 4.441 4.223 4.608 0.232 4 0 "[ . 1]" 1
781 1 12 PRO HB3 1 12 PRO HD3 2.824 . 3.821 3.586 2.858 4.067 0.246 7 0 "[ . 1]" 1
782 1 73 ASP H 1 76 TRP HZ2 2.553 . 6.000 4.764 4.068 5.428 . 0 0 "[ . 1]" 1
783 1 70 TRP HZ2 1 84 VAL MG2 2.861 . 3.884 3.519 3.167 3.728 . 0 0 "[ . 1]" 1
784 1 20 PHE HE1 1 81 GLU HB3 2.879 . 3.915 2.166 1.846 2.549 . 0 0 "[ . 1]" 1
785 1 20 PHE HB3 1 20 PHE HD1 2.677 . 6.000 3.718 3.695 3.742 . 0 0 "[ . 1]" 1
786 1 20 PHE H 1 20 PHE HD1 2.849 . 3.864 2.478 2.002 2.917 . 0 0 "[ . 1]" 1
787 1 20 PHE HB2 1 20 PHE HD1 2.825 . 3.822 2.592 2.503 2.797 . 0 0 "[ . 1]" 1
788 1 82 LEU HA 1 83 HIS HD2 2.674 . 6.000 3.407 2.821 3.777 . 0 0 "[ . 1]" 1
789 1 70 TRP HH2 1 84 VAL MG2 2.430 . 3.168 2.811 2.293 3.016 . 0 0 "[ . 1]" 1
790 1 58 TYR QD 1 66 LYS HA 2.767 . 6.000 4.023 3.798 4.265 . 0 0 "[ . 1]" 1
791 1 58 TYR QD 1 59 ARG H 2.659 . 6.000 4.143 3.996 4.358 . 0 0 "[ . 1]" 1
792 1 58 TYR HB2 1 58 TYR QD 2.581 . 3.414 2.541 2.512 2.581 . 0 0 "[ . 1]" 1
793 1 58 TYR QD 1 67 PRO HB3 2.765 . 6.000 3.740 3.347 4.065 . 0 0 "[ . 1]" 1
794 1 58 TYR QD 1 65 LYS QE 2.730 . 3.662 3.133 2.797 3.599 . 0 0 "[ . 1]" 1
795 1 58 TYR QD 1 65 LYS HB3 2.698 . 3.608 2.107 1.936 2.245 . 0 0 "[ . 1]" 1
796 1 58 TYR QD 1 65 LYS HD2 2.859 . 6.000 5.201 3.355 5.579 . 0 0 "[ . 1]" 1
797 1 58 TYR HE1 1 67 PRO HG3 2.716 . 3.638 2.425 1.986 3.064 . 0 0 "[ . 1]" 1
798 1 58 TYR HE1 1 65 LYS HB3 2.882 . 3.920 3.625 3.291 3.921 0.001 3 0 "[ . 1]" 1
799 1 58 TYR HE1 1 65 LYS QE 2.618 . 5.000 3.768 3.313 4.059 . 0 0 "[ . 1]" 1
800 1 58 TYR HE1 1 65 LYS HB2 2.675 . 3.569 3.589 3.440 3.667 0.098 9 0 "[ . 1]" 1
801 1 70 TRP HB2 1 70 TRP HD1 2.801 . 3.782 2.629 2.593 2.691 . 0 0 "[ . 1]" 1
802 1 70 TRP HB3 1 70 TRP HD1 2.854 . 3.872 3.783 3.747 3.827 . 0 0 "[ . 1]" 1
803 1 73 ASP HB2 1 76 TRP HD1 3.225 . 4.525 4.496 4.359 4.571 0.046 4 0 "[ . 1]" 1
804 1 73 ASP HB3 1 76 TRP HD1 3.108 . 4.315 2.872 2.676 3.059 . 0 0 "[ . 1]" 1
805 1 76 TRP HB3 1 76 TRP HD1 3.278 . 4.621 3.734 3.669 3.791 . 0 0 "[ . 1]" 1
806 1 76 TRP HB2 1 76 TRP HD1 3.344 . 4.741 3.487 3.375 3.603 . 0 0 "[ . 1]" 1
807 1 18 ARG HB2 1 20 PHE HE1 3.121 . 4.339 3.937 3.374 4.347 0.008 6 0 "[ . 1]" 1
808 1 20 PHE HD1 1 83 HIS HA 3.075 . 4.257 3.550 3.249 3.876 . 0 0 "[ . 1]" 1
809 1 20 PHE HA 1 20 PHE HD1 2.862 . 3.886 3.585 3.303 3.729 . 0 0 "[ . 1]" 1
810 1 20 PHE HD1 1 83 HIS HB2 3.021 . 5.500 5.680 5.430 5.905 0.405 7 0 "[ . 1]" 1
811 1 20 PHE HD1 1 81 GLU HB3 3.135 . 6.000 3.286 3.058 3.651 . 0 0 "[ . 1]" 1
812 1 20 PHE HD1 1 26 ARG HB2 3.134 . 6.000 5.198 4.833 6.238 0.238 6 0 "[ . 1]" 1
813 1 19 VAL QG 1 20 PHE HD1 3.025 . 6.000 4.042 3.849 4.276 . 0 0 "[ . 1]" 1
814 1 60 ILE QG 1 83 HIS HD2 3.043 . 4.201 2.635 1.878 4.090 0.007 2 0 "[ . 1]" 1
815 1 83 HIS HB2 1 83 HIS HD2 3.038 . 4.191 2.845 2.769 2.993 . 0 0 "[ . 1]" 1
816 1 58 TYR QD 1 66 LYS H 3.069 . 4.246 3.470 3.031 3.719 . 0 0 "[ . 1]" 1
817 1 58 TYR QD 1 67 PRO HB2 3.029 . 6.000 4.883 4.710 5.009 . 0 0 "[ . 1]" 1
818 1 58 TYR QD 1 65 LYS HB2 2.938 . 4.017 2.969 2.613 3.161 . 0 0 "[ . 1]" 1
819 1 58 TYR QD 1 65 LYS HG2 3.009 . 6.000 4.428 4.150 4.586 . 0 0 "[ . 1]" 1
820 1 58 TYR QD 1 65 LYS HG3 2.868 . 5.000 4.904 4.722 5.021 0.021 4 0 "[ . 1]" 1
821 1 56 ALA HA 1 70 TRP HE1 2.885 . 3.925 1.965 1.835 2.212 0.010 4 0 "[ . 1]" 1
822 1 37 VAL H 1 74 ILE H 3.117 . 4.332 3.491 3.375 3.654 . 0 0 "[ . 1]" 1
823 1 36 THR HA 1 74 ILE H 3.068 . 4.245 3.142 3.024 3.241 . 0 0 "[ . 1]" 1
824 1 73 ASP HA 1 74 ILE H 2.385 . 3.096 2.164 2.018 2.206 . 0 0 "[ . 1]" 1
825 1 74 ILE H 1 74 ILE HA 2.924 . 3.993 2.842 2.757 2.878 . 0 0 "[ . 1]" 1
826 1 74 ILE H 1 74 ILE HB 2.477 . 3.244 3.047 2.494 3.287 0.043 10 0 "[ . 1]" 1
827 1 74 ILE H 1 74 ILE MG 2.455 . 3.209 1.605 1.532 1.695 0.169 10 0 "[ . 1]" 1
828 1 74 ILE H 1 74 ILE MD 3.056 . 6.000 4.262 4.170 4.325 . 0 0 "[ . 1]" 1
829 1 76 TRP HA 1 76 TRP HE1 2.600 . 6.000 4.877 4.816 4.951 . 0 0 "[ . 1]" 1
830 1 20 PHE H 1 20 PHE HB3 3.049 . 4.211 3.635 3.581 3.719 . 0 0 "[ . 1]" 1
831 1 19 VAL QG 1 20 PHE H 3.169 . 3.498 2.275 1.745 2.601 0.169 1 0 "[ . 1]" 1
832 1 20 PHE H 1 83 HIS HA 2.852 . 3.869 2.350 2.207 2.521 . 0 0 "[ . 1]" 1
833 1 19 VAL HA 1 20 PHE H 2.309 . 2.975 2.156 2.069 2.308 . 0 0 "[ . 1]" 1
834 1 20 PHE H 1 20 PHE HB2 2.700 . 3.611 2.420 2.324 2.565 . 0 0 "[ . 1]" 1
835 1 61 GLN H 1 66 LYS H 3.157 . 4.403 3.657 3.156 4.195 . 0 0 "[ . 1]" 1
836 1 61 GLN H 1 61 GLN HB3 2.629 . 3.493 3.614 3.564 3.654 0.161 1 0 "[ . 1]" 1
837 1 61 GLN H 1 61 GLN HB2 2.758 . 3.709 2.441 2.353 2.521 . 0 0 "[ . 1]" 1
838 1 61 GLN H 1 66 LYS HG2 3.306 . 4.673 3.751 2.872 4.825 0.152 4 0 "[ . 1]" 1
839 1 60 ILE MG 1 61 GLN H 2.580 . 3.412 3.131 3.080 3.205 . 0 0 "[ . 1]" 1
840 1 60 ILE HA 1 61 GLN H 2.275 . 2.922 2.126 2.058 2.156 . 0 0 "[ . 1]" 1
841 1 61 GLN H 1 61 GLN HA 2.692 . 3.598 2.889 2.858 2.909 . 0 0 "[ . 1]" 1
842 1 87 LEU H 1 88 GLU H 3.098 . 4.298 3.974 3.918 4.100 . 0 0 "[ . 1]" 1
843 1 55 CYS HA 1 87 LEU H 2.554 . 3.369 2.605 2.465 2.793 . 0 0 "[ . 1]" 1
844 1 86 VAL HA 1 87 LEU H 2.226 . 2.845 2.133 2.082 2.173 . 0 0 "[ . 1]" 1
845 1 86 VAL HB 1 87 LEU H 3.196 . 4.473 4.075 3.967 4.257 . 0 0 "[ . 1]" 1
846 1 87 LEU H 1 87 LEU HB3 2.558 . 6.000 3.531 3.456 3.625 . 0 0 "[ . 1]" 1
847 1 87 LEU H 1 87 LEU QD 2.725 . 3.653 2.656 2.197 3.195 . 0 0 "[ . 1]" 1
848 1 87 LEU H 1 87 LEU HA 2.670 . 3.561 2.873 2.849 2.903 . 0 0 "[ . 1]" 1
849 1 87 LEU H 1 87 LEU HB2 2.462 . 3.219 2.314 2.160 2.567 . 0 0 "[ . 1]" 1
850 1 86 VAL QG 1 87 LEU H 2.533 . 3.335 2.596 2.477 2.919 . 0 0 "[ . 1]" 1
851 1 62 ASP HA 1 63 GLY H 2.630 . 3.495 2.329 2.318 2.341 . 0 0 "[ . 1]" 1
852 1 63 GLY H 1 63 GLY HA3 2.608 . 3.458 2.815 2.801 2.838 . 0 0 "[ . 1]" 1
853 1 63 GLY H 1 63 GLY HA2 2.413 . 3.141 2.279 2.274 2.290 . 0 0 "[ . 1]" 1
854 1 60 ILE MG 1 63 GLY H 2.710 . 3.628 3.189 2.950 3.478 . 0 0 "[ . 1]" 1
855 1 30 PRO HB3 1 31 ALA H 3.066 . 4.241 3.644 3.473 3.992 . 0 0 "[ . 1]" 1
856 1 15 PRO HB2 1 31 ALA H 3.096 . 4.294 3.794 3.388 4.189 . 0 0 "[ . 1]" 1
857 1 16 ILE HB 1 31 ALA H 3.054 . 6.000 4.964 4.632 5.073 . 0 0 "[ . 1]" 1
858 1 16 ILE MG 1 31 ALA H 2.897 . 6.000 3.510 3.278 3.619 . 0 0 "[ . 1]" 1
859 1 31 ALA H 1 31 ALA HA 2.897 . 3.946 2.838 2.802 2.857 . 0 0 "[ . 1]" 1
860 1 16 ILE HA 1 31 ALA H 2.544 . 3.353 2.383 2.058 2.515 . 0 0 "[ . 1]" 1
861 1 30 PRO HA 1 31 ALA H 2.261 . 2.900 2.121 2.097 2.132 . 0 0 "[ . 1]" 1
862 1 31 ALA H 1 31 ALA MB 2.414 . 3.143 2.227 2.221 2.238 . 0 0 "[ . 1]" 1
863 1 59 ARG H 1 66 LYS H 2.861 . 3.884 2.849 2.272 3.426 . 0 0 "[ . 1]" 1
864 1 66 LYS H 1 66 LYS HA 2.967 . 4.067 2.933 2.918 2.946 . 0 0 "[ . 1]" 1
865 1 60 ILE HA 1 66 LYS H 3.203 . 4.486 2.908 2.426 3.291 . 0 0 "[ . 1]" 1
866 1 65 LYS HA 1 66 LYS H 2.210 . 2.820 2.166 2.132 2.241 . 0 0 "[ . 1]" 1
867 1 58 TYR HB3 1 66 LYS H 3.279 . 4.623 3.034 2.955 3.094 . 0 0 "[ . 1]" 1
868 1 58 TYR HB2 1 66 LYS H 3.296 . 4.654 4.694 4.637 4.728 0.074 8 0 "[ . 1]" 1
869 1 66 LYS H 1 66 LYS QB 2.631 . 3.496 2.418 2.237 2.532 . 0 0 "[ . 1]" 1
870 1 59 ARG HG3 1 66 LYS H 3.224 . 4.523 4.092 3.729 4.867 0.344 3 0 "[ . 1]" 1
871 1 65 LYS HB2 1 66 LYS H 2.926 . 6.000 4.196 4.043 4.377 . 0 0 "[ . 1]" 1
872 1 65 LYS HB3 1 66 LYS H 3.211 . 4.499 3.486 3.228 3.846 . 0 0 "[ . 1]" 1
873 1 17 VAL HA 1 18 ARG H 2.178 . 2.771 2.228 2.170 2.272 . 0 0 "[ . 1]" 1
874 1 18 ARG H 1 18 ARG HB2 2.491 . 3.266 2.465 2.410 2.542 . 0 0 "[ . 1]" 1
875 1 18 ARG H 1 18 ARG HG3 2.815 . 3.806 2.515 2.455 2.581 . 0 0 "[ . 1]" 1
876 1 18 ARG H 1 18 ARG HG2 3.188 . 4.459 3.682 3.513 3.808 . 0 0 "[ . 1]" 1
877 1 17 VAL QG 1 18 ARG H 2.486 . 3.259 2.708 2.591 2.796 . 0 0 "[ . 1]" 1
878 1 18 ARG H 1 81 GLU HA 2.971 . 4.074 2.892 2.665 3.040 . 0 0 "[ . 1]" 1
879 1 73 ASP H 1 73 ASP HA 2.911 . 3.970 2.861 2.837 2.900 . 0 0 "[ . 1]" 1
880 1 72 THR HA 1 73 ASP H 2.217 . 2.831 2.279 2.200 2.355 . 0 0 "[ . 1]" 1
881 1 73 ASP H 1 73 ASP HB3 2.482 . 3.252 2.646 2.503 2.706 . 0 0 "[ . 1]" 1
882 1 73 ASP H 1 73 ASP HB2 2.550 . 6.000 2.455 2.393 2.508 . 0 0 "[ . 1]" 1
883 1 72 THR MG 1 73 ASP H 2.634 . 3.501 2.263 2.042 2.385 . 0 0 "[ . 1]" 1
884 1 84 VAL HA 1 85 GLU H 2.200 . 2.805 2.110 2.076 2.203 . 0 0 "[ . 1]" 1
885 1 85 GLU H 1 85 GLU HG3 3.068 . 4.244 3.421 2.532 4.124 . 0 0 "[ . 1]" 1
886 1 85 GLU H 1 85 GLU HG2 3.187 . 4.456 2.841 2.150 3.483 . 0 0 "[ . 1]" 1
887 1 85 GLU H 1 85 GLU HB3 3.095 . 4.292 3.711 3.662 3.765 . 0 0 "[ . 1]" 1
888 1 85 GLU H 1 85 GLU HB2 2.861 . 3.884 2.613 2.450 2.789 . 0 0 "[ . 1]" 1
889 1 84 VAL MG1 1 85 GLU H 2.603 . 3.450 2.868 1.938 3.121 . 0 0 "[ . 1]" 1
890 1 84 VAL MG2 1 85 GLU H 3.006 . 4.135 3.774 3.612 3.859 . 0 0 "[ . 1]" 1
891 1 36 THR HB 1 37 VAL H 2.516 . 3.307 2.681 2.521 2.830 . 0 0 "[ . 1]" 1
892 1 36 THR HA 1 37 VAL H 2.474 . 3.239 2.306 2.256 2.397 . 0 0 "[ . 1]" 1
893 1 37 VAL H 1 73 ASP HA 3.250 . 4.570 3.321 3.182 3.721 . 0 0 "[ . 1]" 1
894 1 37 VAL H 1 37 VAL HB 2.593 . 3.434 2.882 2.512 3.616 0.182 10 0 "[ . 1]" 1
895 1 36 THR MG 1 37 VAL H 3.084 . 4.273 3.471 3.292 3.657 . 0 0 "[ . 1]" 1
896 1 37 VAL H 1 37 VAL MG2 2.310 . 2.977 2.090 1.890 2.493 . 0 0 "[ . 1]" 1
897 1 75 SER H 1 76 TRP H 2.607 . 3.456 2.568 2.477 2.714 . 0 0 "[ . 1]" 1
898 1 76 TRP H 1 77 LEU H 2.450 . 3.200 2.389 2.306 2.495 . 0 0 "[ . 1]" 1
899 1 76 TRP H 1 76 TRP HD1 2.976 . 4.083 2.485 2.316 2.632 . 0 0 "[ . 1]" 1
900 1 76 TRP H 1 76 TRP HA 2.739 . 3.677 2.870 2.838 2.894 . 0 0 "[ . 1]" 1
901 1 75 SER HA 1 76 TRP H 2.966 . 4.066 3.412 3.358 3.447 . 0 0 "[ . 1]" 1
902 1 76 TRP H 1 76 TRP HB3 2.765 . 3.720 3.613 3.600 3.625 . 0 0 "[ . 1]" 1
903 1 76 TRP H 1 76 TRP HB2 2.530 . 3.330 2.462 2.402 2.535 . 0 0 "[ . 1]" 1
904 1 76 TRP H 1 77 LEU QD 3.301 . 6.000 3.581 2.695 4.168 . 0 0 "[ . 1]" 1
905 1 21 LEU H 1 26 ARG HA 2.771 . 3.731 2.576 2.446 2.682 . 0 0 "[ . 1]" 1
906 1 20 PHE HA 1 21 LEU H 2.257 . 2.894 2.173 2.124 2.223 . 0 0 "[ . 1]" 1
907 1 20 PHE HB3 1 21 LEU H 3.138 . 4.369 3.732 3.685 3.783 . 0 0 "[ . 1]" 1
908 1 21 LEU H 1 21 LEU QD 2.822 . 3.818 1.948 1.702 2.985 0.124 8 0 "[ . 1]" 1
909 1 56 ALA H 1 87 LEU H 3.248 . 4.567 4.567 4.464 4.605 0.038 4 0 "[ . 1]" 1
910 1 55 CYS HA 1 56 ALA H 2.392 . 3.107 2.383 2.312 2.424 . 0 0 "[ . 1]" 1
911 1 56 ALA H 1 84 VAL MG1 3.026 . 4.171 3.016 2.158 3.389 . 0 0 "[ . 1]" 1
912 1 56 ALA H 1 85 GLU H 2.712 . 3.632 2.504 2.242 2.695 . 0 0 "[ . 1]" 1
913 1 56 ALA H 1 86 VAL HA 3.219 . 4.514 4.131 3.764 4.476 . 0 0 "[ . 1]" 1
914 1 55 CYS HB2 1 56 ALA H 2.990 . 4.108 3.649 3.555 3.758 . 0 0 "[ . 1]" 1
915 1 55 CYS HB3 1 56 ALA H 2.621 . 3.480 2.472 2.370 2.600 . 0 0 "[ . 1]" 1
916 1 56 ALA H 1 56 ALA MB 2.535 . 3.338 2.616 2.538 2.702 . 0 0 "[ . 1]" 1
917 1 56 ALA H 1 84 VAL HA 3.239 . 4.550 3.720 3.637 3.815 . 0 0 "[ . 1]" 1
918 1 56 ALA H 1 87 LEU HG 3.170 . 6.000 4.951 3.475 6.020 0.020 1 0 "[ . 1]" 1
919 1 64 GLU HA 1 65 LYS H 2.031 . 2.547 2.191 2.126 2.427 . 0 0 "[ . 1]" 1
920 1 65 LYS H 1 65 LYS HA 2.765 . 3.721 2.904 2.872 2.930 . 0 0 "[ . 1]" 1
921 1 64 GLU QG 1 65 LYS H 3.136 . 4.365 4.026 3.353 4.139 . 0 0 "[ . 1]" 1
922 1 64 GLU HB3 1 65 LYS H 2.695 . 3.603 3.684 3.127 4.047 0.444 7 0 "[ . 1]" 1
923 1 64 GLU HB2 1 65 LYS H 3.004 . 4.132 3.261 2.299 4.110 . 0 0 "[ . 1]" 1
924 1 65 LYS H 1 65 LYS HB2 2.431 . 3.169 2.595 2.544 2.706 . 0 0 "[ . 1]" 1
925 1 65 LYS H 1 65 LYS HB3 2.643 . 3.516 3.643 3.604 3.687 0.171 9 0 "[ . 1]" 1
926 1 65 LYS H 1 65 LYS HG3 2.722 . 3.648 2.319 2.139 2.593 . 0 0 "[ . 1]" 1
927 1 89 ASN HA 1 90 VAL H 2.339 . 3.023 2.706 2.314 2.997 . 0 0 "[ . 1]" 1
928 1 90 VAL H 1 90 VAL HA 2.861 . 3.884 2.919 2.792 2.941 . 0 0 "[ . 1]" 1
929 1 90 VAL H 1 90 VAL HB 2.876 . 3.910 3.711 3.604 3.798 . 0 0 "[ . 1]" 1
930 1 90 VAL H 1 90 VAL MG1 2.605 . 3.453 3.000 2.305 3.250 . 0 0 "[ . 1]" 1
931 1 60 ILE H 1 61 GLN H 3.156 . 4.401 4.266 4.193 4.327 . 0 0 "[ . 1]" 1
932 1 59 ARG HA 1 60 ILE H 2.388 . 3.101 2.158 2.131 2.191 . 0 0 "[ . 1]" 1
933 1 56 ALA H 1 85 GLU HB2 2.713 . 3.633 3.615 3.468 3.698 0.065 1 0 "[ . 1]" 1
934 1 60 ILE H 1 60 ILE HB 2.491 . 3.267 2.555 2.324 2.931 . 0 0 "[ . 1]" 1
935 1 60 ILE H 1 60 ILE QG 2.933 . 4.008 2.706 2.127 3.615 . 0 0 "[ . 1]" 1
936 1 60 ILE H 1 60 ILE MG 3.072 . 6.000 3.767 3.675 3.860 . 0 0 "[ . 1]" 1
937 1 19 VAL HA 1 82 LEU H 2.997 . 4.120 2.463 2.332 2.666 . 0 0 "[ . 1]" 1
938 1 81 GLU HA 1 82 LEU H 2.271 . 2.916 2.139 2.112 2.176 . 0 0 "[ . 1]" 1
939 1 82 LEU H 1 82 LEU HA 2.912 . 3.972 2.926 2.919 2.935 . 0 0 "[ . 1]" 1
940 1 81 GLU HB3 1 82 LEU H 3.217 . 4.511 3.612 3.558 3.658 . 0 0 "[ . 1]" 1
941 1 18 ARG HB2 1 82 LEU H 3.195 . 4.471 4.087 3.964 4.165 . 0 0 "[ . 1]" 1
942 1 82 LEU H 1 82 LEU HB3 2.645 . 3.520 3.626 3.440 3.722 0.202 4 0 "[ . 1]" 1
943 1 82 LEU H 1 82 LEU HB2 3.224 . 4.524 2.478 2.231 2.666 . 0 0 "[ . 1]" 1
944 1 17 VAL QG 1 82 LEU H 3.062 . 4.234 3.107 2.946 3.257 . 0 0 "[ . 1]" 1
945 1 82 LEU H 1 82 LEU QD 2.967 . 4.068 3.084 2.689 3.367 . 0 0 "[ . 1]" 1
946 1 19 VAL QG 1 82 LEU H 3.160 . 4.408 3.045 3.009 3.096 . 0 0 "[ . 1]" 1
947 1 32 ARG H 1 33 CYS HA 3.248 . 6.000 5.251 4.885 5.479 . 0 0 "[ . 1]" 1
948 1 31 ALA HA 1 32 ARG H 2.264 . 2.905 2.215 2.100 2.317 . 0 0 "[ . 1]" 1
949 1 32 ARG H 1 32 ARG QB 2.709 . 3.053 2.296 2.192 2.383 . 0 0 "[ . 1]" 1
950 1 32 ARG H 1 74 ILE HG12 3.120 . 4.337 3.293 2.388 3.755 . 0 0 "[ . 1]" 1
951 1 32 ARG H 1 74 ILE MG 2.298 . 2.958 2.675 2.047 2.878 . 0 0 "[ . 1]" 1
952 1 32 ARG H 1 74 ILE MD 3.033 . 4.183 2.406 2.127 2.563 . 0 0 "[ . 1]" 1
953 1 18 ARG H 1 19 VAL H 3.172 . 4.430 4.190 4.042 4.284 . 0 0 "[ . 1]" 1
954 1 19 VAL H 1 28 VAL HA 2.812 . 3.801 2.760 2.333 2.993 . 0 0 "[ . 1]" 1
955 1 18 ARG HA 1 19 VAL H 2.174 . 2.765 2.145 2.075 2.195 . 0 0 "[ . 1]" 1
956 1 19 VAL H 1 19 VAL HB 2.459 . 3.215 2.617 2.320 2.815 . 0 0 "[ . 1]" 1
957 1 18 ARG HG3 1 19 VAL H 3.292 . 6.000 5.067 4.920 5.214 . 0 0 "[ . 1]" 1
958 1 18 ARG HG2 1 19 VAL H 3.200 . 4.480 4.556 4.493 4.636 0.156 1 0 "[ . 1]" 1
959 1 19 VAL H 1 27 THR MG 2.697 . 6.000 3.373 2.761 3.754 . 0 0 "[ . 1]" 1
960 1 19 VAL H 1 19 VAL QG 2.558 . 4.176 2.278 1.964 2.807 . 0 0 "[ . 1]" 1
961 1 43 LYS H 1 44 ALA H 2.784 . 3.753 2.705 2.660 2.768 . 0 0 "[ . 1]" 1
962 1 44 ALA H 1 45 LEU H 2.403 . 3.125 3.037 2.930 3.115 . 0 0 "[ . 1]" 1
963 1 41 LEU HA 1 44 ALA H 3.052 . 4.216 2.879 2.475 3.209 . 0 0 "[ . 1]" 1
964 1 44 ALA H 1 44 ALA HA 2.438 . 3.181 2.757 2.712 2.779 . 0 0 "[ . 1]" 1
965 1 43 LYS HG3 1 44 ALA H 3.120 . 4.337 3.839 3.695 3.999 . 0 0 "[ . 1]" 1
966 1 44 ALA H 1 44 ALA MB 2.085 . 6.000 2.219 2.202 2.235 . 0 0 "[ . 1]" 1
967 1 41 LEU HB2 1 44 ALA H 3.152 . 6.000 5.333 5.106 5.594 . 0 0 "[ . 1]" 1
968 1 58 TYR H 1 58 TYR HA 2.937 . 4.015 2.954 2.950 2.959 . 0 0 "[ . 1]" 1
969 1 58 TYR H 1 58 TYR QD 2.843 . 6.000 2.673 2.554 2.794 . 0 0 "[ . 1]" 1
970 1 57 VAL HA 1 58 TYR H 2.226 . 2.845 2.175 2.152 2.203 . 0 0 "[ . 1]" 1
971 1 58 TYR H 1 58 TYR HB2 3.137 . 4.367 2.667 2.601 2.737 . 0 0 "[ . 1]" 1
972 1 57 VAL HB 1 58 TYR H 3.149 . 4.388 4.012 3.908 4.155 . 0 0 "[ . 1]" 1
973 1 57 VAL MG1 1 58 TYR H 2.920 . 3.986 2.583 2.390 2.864 . 0 0 "[ . 1]" 1
974 1 57 VAL MG2 1 58 TYR H 2.831 . 6.000 4.138 4.002 4.235 . 0 0 "[ . 1]" 1
975 1 85 GLU H 1 86 VAL H 3.254 . 4.578 4.473 4.384 4.516 . 0 0 "[ . 1]" 1
976 1 85 GLU HA 1 86 VAL H 2.155 . 2.735 2.253 2.154 2.357 . 0 0 "[ . 1]" 1
977 1 86 VAL H 1 86 VAL HA 2.908 . 3.965 2.889 2.859 2.915 . 0 0 "[ . 1]" 1
978 1 85 GLU HB3 1 86 VAL H 2.772 . 3.732 2.908 2.607 3.352 . 0 0 "[ . 1]" 1
979 1 86 VAL H 1 86 VAL QG 2.368 . 3.069 2.088 1.927 2.408 . 0 0 "[ . 1]" 1
980 1 67 PRO HB2 1 68 ILE H 3.044 . 4.202 3.728 3.550 3.867 . 0 0 "[ . 1]" 1
981 1 34 GLY H 1 35 VAL H 2.407 . 3.131 2.170 1.911 2.469 . 0 0 "[ . 1]" 1
982 1 35 VAL H 1 35 VAL HA 2.612 . 3.465 2.936 2.919 2.948 . 0 0 "[ . 1]" 1
983 1 34 GLY HA3 1 35 VAL H 2.864 . 3.889 3.270 3.045 3.401 . 0 0 "[ . 1]" 1
984 1 34 GLY HA2 1 35 VAL H 2.964 . 4.062 3.239 3.040 3.420 . 0 0 "[ . 1]" 1
985 1 35 VAL H 1 35 VAL HB 2.382 . 3.091 2.541 2.284 2.704 . 0 0 "[ . 1]" 1
986 1 35 VAL H 1 35 VAL MG1 2.783 . 6.000 3.142 2.733 3.449 . 0 0 "[ . 1]" 1
987 1 35 VAL H 1 35 VAL MG2 2.357 . 6.000 3.680 3.316 3.865 . 0 0 "[ . 1]" 1
988 1 20 PHE HA 1 84 VAL H 3.275 . 4.616 4.580 4.407 4.728 0.112 7 0 "[ . 1]" 1
989 1 83 HIS HB2 1 84 VAL H 3.275 . 4.615 4.245 4.124 4.343 . 0 0 "[ . 1]" 1
990 1 83 HIS HA 1 84 VAL H 2.259 . 2.897 2.123 2.085 2.176 . 0 0 "[ . 1]" 1
991 1 20 PHE HB2 1 84 VAL H 3.197 . 4.475 3.333 2.944 3.819 . 0 0 "[ . 1]" 1
992 1 84 VAL H 1 84 VAL HB 2.548 . 3.360 2.391 2.318 2.468 . 0 0 "[ . 1]" 1
993 1 84 VAL H 1 84 VAL MG2 2.573 . 6.000 2.927 2.812 3.059 . 0 0 "[ . 1]" 1
994 1 19 VAL QG 1 84 VAL H 3.107 . 4.914 2.830 2.644 2.997 . 0 0 "[ . 1]" 1
995 1 58 TYR HA 1 68 ILE H 2.773 . 3.734 2.722 2.467 3.074 . 0 0 "[ . 1]" 1
996 1 67 PRO HA 1 68 ILE H 2.228 . 2.849 2.067 2.031 2.117 . 0 0 "[ . 1]" 1
997 1 68 ILE H 1 68 ILE HA 2.688 . 3.591 2.920 2.905 2.937 . 0 0 "[ . 1]" 1
998 1 68 ILE H 1 68 ILE HB 2.524 . 3.320 2.458 2.350 2.631 . 0 0 "[ . 1]" 1
999 1 67 PRO HB3 1 68 ILE H 3.068 . 4.245 3.699 3.406 3.968 . 0 0 "[ . 1]" 1
1000 1 68 ILE H 1 68 ILE QG 2.613 . 3.467 2.406 2.154 2.722 . 0 0 "[ . 1]" 1
1001 1 58 TYR H 1 83 HIS H 2.704 . 3.618 2.547 2.306 2.712 . 0 0 "[ . 1]" 1
1002 1 83 HIS H 1 83 HIS HB3 3.015 . 4.151 3.758 3.593 3.826 . 0 0 "[ . 1]" 1
1003 1 82 LEU HB2 1 83 HIS H 2.916 . 3.979 3.822 3.368 4.355 0.376 10 0 "[ . 1]" 1
1004 1 82 LEU QD 1 83 HIS H 3.083 . 4.271 3.529 3.368 3.716 . 0 0 "[ . 1]" 1
1005 1 46 MET H 1 47 MET H 2.342 . 3.028 2.739 2.626 2.860 . 0 0 "[ . 1]" 1
1006 1 46 MET H 1 46 MET HA 2.584 . 3.419 2.805 2.764 2.826 . 0 0 "[ . 1]" 1
1007 1 43 LYS HA 1 46 MET H 2.878 . 3.913 3.681 3.541 3.906 . 0 0 "[ . 1]" 1
1008 1 45 LEU HA 1 46 MET H 3.130 . 4.354 3.534 3.509 3.547 . 0 0 "[ . 1]" 1
1009 1 46 MET H 1 46 MET HG3 2.788 . 3.760 3.940 3.583 4.111 0.351 3 0 "[ . 1]" 1
1010 1 46 MET H 1 46 MET QB . . 2.818 2.202 2.113 2.289 . 0 0 "[ . 1]" 1
1011 1 45 LEU HG 1 46 MET H 3.264 . 4.595 4.679 4.594 4.801 0.206 5 0 "[ . 1]" 1
1012 1 45 LEU HB2 1 46 MET H 2.683 . 3.583 2.550 2.301 2.666 . 0 0 "[ . 1]" 1
1013 1 45 LEU HB3 1 46 MET H 2.882 . 3.920 3.457 3.232 3.597 . 0 0 "[ . 1]" 1
1014 1 82 LEU HA 1 83 HIS H 2.257 . 2.894 2.299 2.077 2.434 . 0 0 "[ . 1]" 1
1015 1 83 HIS H 1 83 HIS HB2 2.810 . 3.797 2.623 2.365 2.754 . 0 0 "[ . 1]" 1
1016 1 82 LEU HB3 1 83 HIS H 3.185 . 4.453 2.744 2.435 3.582 . 0 0 "[ . 1]" 1
1017 1 28 VAL H 1 28 VAL QG 2.820 . 3.814 2.002 1.815 2.308 0.011 6 0 "[ . 1]" 1
1018 1 88 GLU H 1 89 ASN H 2.859 . 3.881 3.960 3.821 4.070 0.189 8 0 "[ . 1]" 1
1019 1 32 ARG HA 1 33 CYS H 2.386 . 3.098 2.159 2.134 2.183 . 0 0 "[ . 1]" 1
1020 1 26 ARG H 1 26 ARG HB2 2.810 . 3.797 3.239 2.785 3.424 . 0 0 "[ . 1]" 1
1021 1 87 LEU HA 1 88 GLU H 2.107 . 2.662 2.297 2.235 2.345 . 0 0 "[ . 1]" 1
1022 1 88 GLU H 1 88 GLU HB3 2.844 . 3.855 3.275 2.554 3.747 . 0 0 "[ . 1]" 1
1023 1 88 GLU H 1 88 GLU HB2 2.527 . 3.325 2.749 2.494 3.138 . 0 0 "[ . 1]" 1
1024 1 87 LEU HB2 1 88 GLU H 2.962 . 6.000 4.518 4.420 4.576 . 0 0 "[ . 1]" 1
1025 1 87 LEU QD 1 88 GLU H 2.870 . 6.000 4.017 3.821 4.187 . 0 0 "[ . 1]" 1
1026 1 21 LEU H 1 26 ARG H 3.058 . 4.227 3.945 3.868 4.032 . 0 0 "[ . 1]" 1
1027 1 25 GLN HA 1 26 ARG H 2.278 . 2.926 2.496 2.383 2.633 . 0 0 "[ . 1]" 1
1028 1 25 GLN HB3 1 26 ARG H 2.792 . 3.766 2.422 2.194 2.634 . 0 0 "[ . 1]" 1
1029 1 25 GLN HB2 1 26 ARG H 3.260 . 4.589 3.686 3.483 3.876 . 0 0 "[ . 1]" 1
1030 1 26 ARG H 1 26 ARG HB3 3.036 . 4.188 2.974 2.785 3.638 . 0 0 "[ . 1]" 1
1031 1 64 GLU H 1 65 LYS H 3.269 . 4.605 4.394 4.341 4.444 . 0 0 "[ . 1]" 1
1032 1 61 GLN HA 1 64 GLU H 3.272 . 4.610 4.548 4.442 4.643 0.033 9 0 "[ . 1]" 1
1033 1 64 GLU H 1 64 GLU QG 2.812 . 3.770 2.204 1.930 2.656 . 0 0 "[ . 1]" 1
1034 1 61 GLN H 1 64 GLU H 2.578 . 3.409 3.357 3.240 3.504 0.095 4 0 "[ . 1]" 1
1035 1 63 GLY H 1 64 GLU H 2.587 . 3.424 2.667 2.573 2.717 . 0 0 "[ . 1]" 1
1036 1 60 ILE HA 1 64 GLU H 3.149 . 4.389 4.177 4.045 4.267 . 0 0 "[ . 1]" 1
1037 1 64 GLU H 1 64 GLU HA 2.438 . 3.181 2.937 2.929 2.955 . 0 0 "[ . 1]" 1
1038 1 63 GLY HA3 1 64 GLU H 2.837 . 3.843 3.443 3.413 3.464 . 0 0 "[ . 1]" 1
1039 1 63 GLY HA2 1 64 GLU H 2.844 . 3.855 3.091 3.063 3.121 . 0 0 "[ . 1]" 1
1040 1 64 GLU H 1 64 GLU HB3 2.486 . 6.000 3.428 3.232 3.755 . 0 0 "[ . 1]" 1
1041 1 64 GLU H 1 64 GLU HB2 2.262 . 4.000 3.440 2.549 3.858 . 0 0 "[ . 1]" 1
1042 1 60 ILE MG 1 64 GLU H 2.650 . 3.528 2.756 2.694 2.905 . 0 0 "[ . 1]" 1
1043 1 17 VAL H 1 79 GLY H 3.251 . 4.572 4.271 3.984 4.600 0.028 1 0 "[ . 1]" 1
1044 1 16 ILE HA 1 17 VAL H 2.324 . 2.999 2.372 2.293 2.446 . 0 0 "[ . 1]" 1
1045 1 16 ILE HB 1 17 VAL H 2.384 . 3.094 2.488 2.226 2.737 . 0 0 "[ . 1]" 1
1046 1 17 VAL H 1 28 VAL QG 2.950 . 4.038 2.608 2.280 3.519 . 0 0 "[ . 1]" 1
1047 1 43 LYS H 1 43 LYS HB2 2.848 . 3.862 2.492 2.393 2.556 . 0 0 "[ . 1]" 1
1048 1 50 LEU H 1 51 ILE H 3.135 . 4.363 4.444 4.421 4.463 0.100 4 0 "[ . 1]" 1
1049 1 49 GLY HA3 1 50 LEU H 3.036 . 4.188 3.471 3.430 3.519 . 0 0 "[ . 1]" 1
1050 1 49 GLY HA2 1 50 LEU H 2.910 . 3.969 2.929 2.810 3.034 . 0 0 "[ . 1]" 1
1051 1 50 LEU H 1 50 LEU QD 2.705 . 6.000 3.079 2.724 3.577 . 0 0 "[ . 1]" 1
1052 1 48 ARG H 1 50 LEU H 2.942 . 4.024 3.334 3.151 3.594 . 0 0 "[ . 1]" 1
1053 1 50 LEU H 1 50 LEU HA 2.856 . 3.876 2.940 2.935 2.942 . 0 0 "[ . 1]" 1
1054 1 46 MET HA 1 50 LEU H 2.703 . 6.000 3.065 2.819 3.306 . 0 0 "[ . 1]" 1
1055 1 48 ARG HB3 1 50 LEU H 3.251 . 4.572 4.257 3.907 4.616 0.044 10 0 "[ . 1]" 1
1056 1 50 LEU H 1 50 LEU HB2 2.455 . 3.208 2.461 2.336 2.602 . 0 0 "[ . 1]" 1
1057 1 50 LEU H 1 50 LEU HB3 2.876 . 3.910 3.635 3.546 3.747 . 0 0 "[ . 1]" 1
1058 1 16 ILE H 1 16 ILE HA 2.867 . 3.894 2.945 2.941 2.952 . 0 0 "[ . 1]" 1
1059 1 15 PRO HA 1 16 ILE H 2.096 . 2.645 2.332 2.258 2.468 . 0 0 "[ . 1]" 1
1060 1 16 ILE H 1 16 ILE HB 3.262 . 4.592 3.690 3.601 3.761 . 0 0 "[ . 1]" 1
1061 1 16 ILE H 1 16 ILE HG13 2.595 . 6.000 2.104 1.981 2.207 . 0 0 "[ . 1]" 1
1062 1 16 ILE H 1 16 ILE HG12 2.603 . 3.450 3.694 3.579 3.793 0.343 4 0 "[ . 1]" 1
1063 1 16 ILE H 1 31 ALA MB 3.102 . 6.000 4.216 4.036 4.405 . 0 0 "[ . 1]" 1
1064 1 42 LYS H 1 43 LYS H 3.170 . 4.426 2.762 2.683 2.863 . 0 0 "[ . 1]" 1
1065 1 41 LEU H 1 42 LYS H 2.225 . 2.844 2.475 2.392 2.549 . 0 0 "[ . 1]" 1
1066 1 39 ASP HA 1 42 LYS H 2.705 . 3.619 3.524 3.411 3.597 . 0 0 "[ . 1]" 1
1067 1 42 LYS H 1 42 LYS HA 2.371 . 3.074 2.797 2.761 2.817 . 0 0 "[ . 1]" 1
1068 1 42 LYS H 1 42 LYS HB3 2.363 . 6.000 3.405 3.297 3.571 . 0 0 "[ . 1]" 1
1069 1 42 LYS H 1 42 LYS HB2 2.345 . 3.032 2.185 2.143 2.300 . 0 0 "[ . 1]" 1
1070 1 41 LEU HB2 1 42 LYS H 2.818 . 3.810 3.060 2.756 3.354 . 0 0 "[ . 1]" 1
1071 1 42 LYS H 1 42 LYS HG3 2.782 . 3.750 3.412 2.914 3.703 . 0 0 "[ . 1]" 1
1072 1 41 LEU QD 1 42 LYS H 3.090 . 4.283 3.918 3.862 3.977 . 0 0 "[ . 1]" 1
1073 1 89 ASN H 1 89 ASN HA 2.767 . 3.724 2.849 2.266 2.947 . 0 0 "[ . 1]" 1
1074 1 88 GLU HA 1 89 ASN H 3.152 . 4.394 2.169 2.142 2.212 . 0 0 "[ . 1]" 1
1075 1 79 GLY H 1 80 GLU H 2.622 . 3.481 2.556 2.476 2.652 . 0 0 "[ . 1]" 1
1076 1 80 GLU H 1 80 GLU HA 2.751 . 3.697 2.893 2.862 2.912 . 0 0 "[ . 1]" 1
1077 1 79 GLY HA3 1 80 GLU H 2.738 . 3.675 3.299 3.194 3.352 . 0 0 "[ . 1]" 1
1078 1 79 GLY HA2 1 80 GLU H 2.859 . 3.881 3.234 3.172 3.350 . 0 0 "[ . 1]" 1
1079 1 78 THR HA 1 80 GLU H 3.014 . 4.150 3.684 3.594 3.749 . 0 0 "[ . 1]" 1
1080 1 17 VAL QG 1 80 GLU H 2.813 . 6.000 2.924 2.509 3.193 . 0 0 "[ . 1]" 1
1081 1 77 LEU H 1 78 THR H 2.334 . 3.015 2.433 2.264 2.821 . 0 0 "[ . 1]" 1
1082 1 74 ILE HA 1 77 LEU H 3.058 . 4.227 3.253 3.118 3.516 . 0 0 "[ . 1]" 1
1083 1 76 TRP HB3 1 77 LEU H 3.250 . 4.570 3.962 3.652 4.148 . 0 0 "[ . 1]" 1
1084 1 77 LEU H 1 77 LEU HB2 2.406 . 3.130 2.694 2.568 2.829 . 0 0 "[ . 1]" 1
1085 1 77 LEU H 1 77 LEU HG 2.681 . 6.000 3.061 2.293 4.223 . 0 0 "[ . 1]" 1
1086 1 76 TRP HA 1 77 LEU H 3.141 . 4.374 3.396 3.327 3.497 . 0 0 "[ . 1]" 1
1087 1 76 TRP HB2 1 77 LEU H 3.204 . 4.487 3.052 2.607 3.275 . 0 0 "[ . 1]" 1
1088 1 38 ARG H 1 70 TRP HE3 2.922 . 3.990 3.304 3.046 3.687 . 0 0 "[ . 1]" 1
1089 1 36 THR HB 1 38 ARG H 2.722 . 3.648 2.412 2.179 2.642 . 0 0 "[ . 1]" 1
1090 1 38 ARG H 1 70 TRP HA 3.283 . 4.630 3.424 3.264 3.612 . 0 0 "[ . 1]" 1
1091 1 38 ARG H 1 38 ARG HA 2.876 . 3.910 2.751 2.715 2.779 . 0 0 "[ . 1]" 1
1092 1 38 ARG H 1 70 TRP HB3 3.183 . 4.449 3.468 3.218 3.787 . 0 0 "[ . 1]" 1
1093 1 37 VAL HB 1 38 ARG H 2.679 . 6.000 3.076 2.533 4.130 . 0 0 "[ . 1]" 1
1094 1 38 ARG H 1 38 ARG HB3 2.542 . 6.000 3.135 2.654 3.613 . 0 0 "[ . 1]" 1
1095 1 38 ARG H 1 38 ARG HB2 2.664 . 3.551 2.857 2.072 3.609 0.058 7 0 "[ . 1]" 1
1096 1 38 ARG H 1 38 ARG HG2 3.276 . 4.618 3.091 1.884 4.557 0.050 9 0 "[ . 1]" 1
1097 1 77 LEU H 1 77 LEU HA 2.778 . 3.743 2.942 2.918 2.956 . 0 0 "[ . 1]" 1
1098 1 38 ARG H 1 38 ARG HG3 3.160 . 4.408 2.994 2.187 4.054 . 0 0 "[ . 1]" 1
1099 1 17 VAL H 1 29 VAL H 2.611 . 3.463 2.656 2.302 2.918 . 0 0 "[ . 1]" 1
1100 1 28 VAL HA 1 29 VAL H 2.107 . 2.662 2.091 2.070 2.117 . 0 0 "[ . 1]" 1
1101 1 18 ARG HA 1 29 VAL H 3.236 . 4.545 3.911 3.653 4.152 . 0 0 "[ . 1]" 1
1102 1 29 VAL H 1 29 VAL HB 3.292 . 4.647 3.139 2.637 3.676 . 0 0 "[ . 1]" 1
1103 1 28 VAL HB 1 29 VAL H 2.902 . 3.954 3.579 3.177 3.754 . 0 0 "[ . 1]" 1
1104 1 16 ILE HB 1 29 VAL H 3.154 . 4.397 3.711 3.435 3.921 . 0 0 "[ . 1]" 1
1105 1 29 VAL H 1 29 VAL MG1 2.417 . 6.000 2.372 1.934 3.844 . 0 0 "[ . 1]" 1
1106 1 16 ILE MG 1 29 VAL H 2.750 . 6.000 3.880 3.550 4.079 . 0 0 "[ . 1]" 1
1107 1 29 VAL H 1 29 VAL MG2 2.417 . 6.000 3.295 1.874 3.856 . 0 0 "[ . 1]" 1
1108 1 41 LEU H 1 41 LEU QD 2.777 . 3.741 2.151 1.976 2.429 . 0 0 "[ . 1]" 1
1109 1 47 MET H 1 47 MET HA 2.552 . 3.366 2.879 2.862 2.892 . 0 0 "[ . 1]" 1
1110 1 44 ALA HA 1 47 MET H 2.984 . 4.097 4.095 3.964 4.140 0.043 10 0 "[ . 1]" 1
1111 1 47 MET H 1 47 MET HG2 2.416 . 4.000 3.543 3.367 3.656 . 0 0 "[ . 1]" 1
1112 1 47 MET H 1 47 MET HB2 2.237 . 2.863 2.466 2.420 2.506 . 0 0 "[ . 1]" 1
1113 1 41 LEU H 1 41 LEU HA 2.643 . 3.516 2.865 2.840 2.880 . 0 0 "[ . 1]" 1
1114 1 40 SER QB 1 41 LEU H 2.911 . 3.744 2.790 2.475 3.103 . 0 0 "[ . 1]" 1
1115 1 41 LEU H 1 41 LEU HB3 2.386 . 6.000 3.556 3.497 3.633 . 0 0 "[ . 1]" 1
1116 1 41 LEU H 1 41 LEU HB2 2.768 . 3.726 2.306 2.201 2.493 . 0 0 "[ . 1]" 1
1117 1 40 SER H 1 41 LEU H 2.478 . 3.245 2.737 2.532 2.892 . 0 0 "[ . 1]" 1
1118 1 40 SER HA 1 41 LEU H 2.982 . 4.093 3.557 3.522 3.583 . 0 0 "[ . 1]" 1
1119 1 39 ASP H 1 41 LEU H 3.167 . 4.421 4.227 4.006 4.467 0.046 1 0 "[ . 1]" 1
1120 1 39 ASP H 1 40 SER H 2.519 . 3.312 2.576 2.440 2.684 . 0 0 "[ . 1]" 1
1121 1 36 THR HB 1 39 ASP H 3.120 . 4.337 3.651 3.436 4.081 . 0 0 "[ . 1]" 1
1122 1 39 ASP H 1 39 ASP HA 2.589 . 3.427 2.862 2.826 2.892 . 0 0 "[ . 1]" 1
1123 1 39 ASP H 1 39 ASP HB2 2.413 . 3.141 2.576 2.403 2.710 . 0 0 "[ . 1]" 1
1124 1 39 ASP H 1 39 ASP HB3 2.621 . 3.480 2.648 2.366 3.570 0.090 8 0 "[ . 1]" 1
1125 1 38 ARG HB3 1 39 ASP H 2.992 . 4.111 3.373 2.165 4.124 0.013 10 0 "[ . 1]" 1
1126 1 38 ARG HB2 1 39 ASP H 2.574 . 3.402 3.013 2.334 3.557 0.155 10 0 "[ . 1]" 1
1127 1 38 ARG HG3 1 39 ASP H 3.147 . 4.385 3.585 2.059 4.858 0.473 2 0 "[ . 1]" 1
1128 1 35 VAL MG1 1 39 ASP H 3.070 . 4.248 3.604 3.024 4.055 . 0 0 "[ . 1]" 1
1129 1 38 ARG H 1 39 ASP H 2.681 . 3.580 2.949 2.856 3.061 . 0 0 "[ . 1]" 1
1130 1 36 THR HA 1 39 ASP H 3.240 . 4.552 4.661 4.604 4.745 0.193 7 0 "[ . 1]" 1
1131 1 81 GLU H 1 81 GLU HA 2.873 . 3.905 2.910 2.896 2.926 . 0 0 "[ . 1]" 1
1132 1 80 GLU HA 1 81 GLU H 2.324 . 2.999 2.324 2.255 2.387 . 0 0 "[ . 1]" 1
1133 1 81 GLU H 1 81 GLU HG3 2.944 . 4.027 3.065 2.413 3.897 . 0 0 "[ . 1]" 1
1134 1 81 GLU H 1 81 GLU HG2 2.317 . 4.000 3.820 3.443 4.082 0.082 9 0 "[ . 1]" 1
1135 1 81 GLU H 1 81 GLU HB3 2.845 . 3.857 3.634 3.592 3.688 . 0 0 "[ . 1]" 1
1136 1 74 ILE H 1 75 SER H 2.624 . 3.485 2.574 2.475 2.742 . 0 0 "[ . 1]" 1
1137 1 75 SER H 1 76 TRP HA 3.114 . 6.000 5.168 5.093 5.301 . 0 0 "[ . 1]" 1
1138 1 33 CYS HA 1 75 SER H 3.286 . 4.636 3.922 3.548 4.222 . 0 0 "[ . 1]" 1
1139 1 73 ASP HA 1 75 SER H 3.270 . 4.607 3.773 3.704 3.907 . 0 0 "[ . 1]" 1
1140 1 75 SER H 1 75 SER HA 2.573 . 3.401 2.842 2.809 2.871 . 0 0 "[ . 1]" 1
1141 1 75 SER H 1 75 SER QB 2.677 . 3.573 2.479 2.271 2.584 . 0 0 "[ . 1]" 1
1142 1 74 ILE MG 1 75 SER H 2.654 . 3.534 2.911 2.122 3.190 . 0 0 "[ . 1]" 1
1143 1 58 TYR HA 1 59 ARG H 2.433 . 3.173 2.254 2.192 2.356 . 0 0 "[ . 1]" 1
1144 1 58 TYR HB3 1 59 ARG H 2.921 . 3.987 2.885 2.666 3.063 . 0 0 "[ . 1]" 1
1145 1 58 TYR HB2 1 59 ARG H 2.831 . 3.833 3.947 3.788 4.076 0.243 7 0 "[ . 1]" 1
1146 1 59 ARG H 1 59 ARG QB 3.261 . 4.590 2.947 2.478 3.049 . 0 0 "[ . 1]" 1
1147 1 59 ARG H 1 59 ARG HG3 2.695 . 3.603 3.213 2.884 3.401 . 0 0 "[ . 1]" 1
1148 1 59 ARG H 1 59 ARG HG2 3.145 . 4.382 2.367 2.057 4.095 . 0 0 "[ . 1]" 1
1149 1 59 ARG H 1 68 ILE QG 3.076 . 4.259 3.017 2.782 3.697 . 0 0 "[ . 1]" 1
1150 1 59 ARG H 1 68 ILE MD 3.111 . 4.321 2.627 2.304 2.829 . 0 0 "[ . 1]" 1
1151 1 57 VAL H 1 58 TYR H 3.303 . 4.666 4.423 4.353 4.469 . 0 0 "[ . 1]" 1
1152 1 57 VAL H 1 57 VAL HA 2.797 . 3.775 2.947 2.943 2.956 . 0 0 "[ . 1]" 1
1153 1 56 ALA HA 1 57 VAL H 2.233 . 6.000 2.360 2.293 2.428 . 0 0 "[ . 1]" 1
1154 1 56 ALA MB 1 57 VAL H 2.318 . 6.000 2.459 2.283 2.632 . 0 0 "[ . 1]" 1
1155 1 57 VAL H 1 57 VAL HB 2.626 . 3.488 2.713 2.664 2.772 . 0 0 "[ . 1]" 1
1156 1 57 VAL H 1 57 VAL MG1 2.517 . 6.000 3.863 3.849 3.888 . 0 0 "[ . 1]" 1
1157 1 57 VAL H 1 57 VAL MG2 2.535 . 6.000 2.394 2.293 2.497 . 0 0 "[ . 1]" 1
1158 1 24 LYS H 1 25 GLN H 2.496 . 3.275 2.758 2.683 2.867 . 0 0 "[ . 1]" 1
1159 1 21 LEU H 1 25 GLN H 3.257 . 4.583 3.571 3.408 3.902 . 0 0 "[ . 1]" 1
1160 1 25 GLN H 1 25 GLN HA 2.584 . 3.418 2.904 2.868 2.927 . 0 0 "[ . 1]" 1
1161 1 24 LYS HA 1 25 GLN H 2.562 . 3.382 2.736 2.639 2.919 . 0 0 "[ . 1]" 1
1162 1 25 GLN H 1 25 GLN HG3 2.762 . 6.000 3.791 2.790 4.090 . 0 0 "[ . 1]" 1
1163 1 25 GLN H 1 25 GLN HG2 2.789 . 3.761 2.850 2.597 3.891 0.130 3 0 "[ . 1]" 1
1164 1 25 GLN H 1 25 GLN HB3 2.634 . 3.501 3.579 3.549 3.613 0.112 5 0 "[ . 1]" 1
1165 1 25 GLN H 1 25 GLN HB2 2.444 . 3.191 2.339 2.279 2.394 . 0 0 "[ . 1]" 1
1166 1 21 LEU HB2 1 25 GLN H 3.012 . 5.000 3.651 3.485 3.823 . 0 0 "[ . 1]" 1
1167 1 54 CYS HB3 1 55 CYS H 3.075 . 4.257 4.196 4.048 4.453 0.196 10 0 "[ . 1]" 1
1168 1 55 CYS H 1 55 CYS HA 2.978 . 4.086 2.921 2.910 2.941 . 0 0 "[ . 1]" 1
1169 1 55 CYS H 1 55 CYS HB2 2.661 . 3.546 2.781 2.674 2.831 . 0 0 "[ . 1]" 1
1170 1 55 CYS H 1 87 LEU QD 3.105 . 4.310 3.076 2.921 3.414 . 0 0 "[ . 1]" 1
1171 1 54 CYS HA 1 55 CYS H 3.086 . 4.276 2.879 2.803 3.058 . 0 0 "[ . 1]" 1
1172 1 55 CYS H 1 55 CYS HB3 2.983 . 4.095 3.853 3.793 3.885 . 0 0 "[ . 1]" 1
1173 1 47 MET H 1 48 ARG H 2.526 . 3.323 2.432 2.373 2.556 . 0 0 "[ . 1]" 1
1174 1 48 ARG H 1 49 GLY H 2.328 . 3.006 2.317 2.115 2.476 . 0 0 "[ . 1]" 1
1175 1 48 ARG H 1 48 ARG HA 2.713 . 3.633 2.921 2.878 2.936 . 0 0 "[ . 1]" 1
1176 1 47 MET HA 1 48 ARG H 3.041 . 4.197 3.360 3.289 3.460 . 0 0 "[ . 1]" 1
1177 1 45 LEU HA 1 48 ARG H 3.232 . 4.538 3.452 3.258 3.771 . 0 0 "[ . 1]" 1
1178 1 48 ARG H 1 48 ARG HB3 2.673 . 3.566 3.592 3.550 3.643 0.077 4 0 "[ . 1]" 1
1179 1 48 ARG H 1 48 ARG HB2 2.526 . 3.324 2.349 2.263 2.423 . 0 0 "[ . 1]" 1
1180 1 40 SER H 1 42 LYS H 3.230 . 4.534 3.749 3.627 3.931 . 0 0 "[ . 1]" 1
1181 1 37 VAL HA 1 40 SER H 3.082 . 4.270 3.602 3.428 3.759 . 0 0 "[ . 1]" 1
1182 1 39 ASP HB3 1 40 SER H 3.116 . 4.330 2.587 2.382 3.573 . 0 0 "[ . 1]" 1
1183 1 39 ASP HA 1 40 SER H 2.284 . 6.000 3.517 3.491 3.547 . 0 0 "[ . 1]" 1
1184 1 40 SER H 1 40 SER HA 2.548 . 3.360 2.810 2.777 2.850 . 0 0 "[ . 1]" 1
1185 1 40 SER H 1 40 SER QB 2.530 . 3.330 2.293 1.982 2.668 . 0 0 "[ . 1]" 1
1186 1 39 ASP HB2 1 40 SER H 2.928 . 4.000 3.658 2.585 3.856 . 0 0 "[ . 1]" 1
1187 1 35 VAL MG1 1 40 SER H 2.675 . 3.569 2.590 2.201 3.006 . 0 0 "[ . 1]" 1
1188 1 35 VAL MG2 1 40 SER H 2.987 . 4.102 3.812 3.421 4.027 . 0 0 "[ . 1]" 1
1189 1 19 VAL H 1 27 THR H 2.765 . 3.721 3.220 3.063 3.416 . 0 0 "[ . 1]" 1
1190 1 26 ARG HA 1 27 THR H 2.216 . 2.830 2.170 2.065 2.265 . 0 0 "[ . 1]" 1
1191 1 27 THR H 1 27 THR HA 2.751 . 3.697 2.911 2.867 2.934 . 0 0 "[ . 1]" 1
1192 1 27 THR H 1 27 THR HB 3.022 . 4.164 3.167 3.022 3.296 . 0 0 "[ . 1]" 1
1193 1 19 VAL HB 1 27 THR H 2.634 . 3.501 3.454 3.187 3.600 0.099 4 0 "[ . 1]" 1
1194 1 26 ARG HB2 1 27 THR H 2.847 . 3.860 4.091 3.972 4.338 0.478 8 0 "[ . 1]" 1
1195 1 27 THR H 1 27 THR MG 2.500 . 3.281 2.686 2.514 2.807 . 0 0 "[ . 1]" 1
1196 1 19 VAL QG 1 27 THR H 3.223 . 5.522 3.759 3.434 3.938 . 0 0 "[ . 1]" 1
1197 1 21 LEU QD 1 27 THR H 3.047 . 4.208 2.548 2.268 3.072 . 0 0 "[ . 1]" 1
1198 1 36 THR H 1 36 THR HB 3.002 . 4.128 3.578 3.539 3.656 . 0 0 "[ . 1]" 1
1199 1 35 VAL HA 1 36 THR H 2.136 . 2.706 2.232 2.156 2.327 . 0 0 "[ . 1]" 1
1200 1 36 THR H 1 39 ASP HB2 2.844 . 3.855 3.687 3.011 3.885 0.030 6 0 "[ . 1]" 1
1201 1 36 THR H 1 36 THR MG 2.362 . 6.000 2.708 2.496 2.909 . 0 0 "[ . 1]" 1
1202 1 35 VAL MG1 1 36 THR H 2.524 . 6.000 2.726 2.400 2.877 . 0 0 "[ . 1]" 1
1203 1 35 VAL MG2 1 36 THR H 3.057 . 4.225 2.871 2.250 3.385 . 0 0 "[ . 1]" 1
1204 1 51 ILE H 1 51 ILE HB 2.974 . 4.079 3.799 3.706 3.856 . 0 0 "[ . 1]" 1
1205 1 36 THR H 1 39 ASP HB3 3.214 . 4.505 3.401 3.053 4.525 0.020 8 0 "[ . 1]" 1
1206 1 50 LEU HG 1 51 ILE H 3.305 . 4.670 4.015 3.497 4.718 0.048 10 0 "[ . 1]" 1
1207 1 51 ILE H 1 51 ILE HG13 2.927 . 3.998 2.682 1.800 2.937 0.056 5 0 "[ . 1]" 1
1208 1 51 ILE H 1 51 ILE HG12 2.724 . 3.652 2.472 2.254 3.377 . 0 0 "[ . 1]" 1
1209 1 50 LEU HB3 1 51 ILE H 2.756 . 3.705 2.412 2.207 2.800 . 0 0 "[ . 1]" 1
1210 1 51 ILE H 1 51 ILE MG 2.939 . 4.019 3.026 2.893 3.102 . 0 0 "[ . 1]" 1
1211 1 50 LEU QD 1 51 ILE H 2.848 . 6.000 3.502 3.144 3.851 . 0 0 "[ . 1]" 1
1212 1 33 CYS HA 1 34 GLY H 2.303 . 2.966 2.152 2.134 2.170 . 0 0 "[ . 1]" 1
1213 1 32 ARG HA 1 34 GLY H 3.298 . 6.000 5.664 5.559 5.929 . 0 0 "[ . 1]" 1
1214 1 34 GLY H 1 34 GLY HA3 2.828 . 3.828 2.952 2.940 2.962 . 0 0 "[ . 1]" 1
1215 1 34 GLY H 1 34 GLY HA2 2.612 . 3.465 2.424 2.383 2.445 . 0 0 "[ . 1]" 1
1216 1 45 LEU H 1 48 ARG HB2 3.298 . 4.657 4.839 4.760 4.883 0.226 5 0 "[ . 1]" 1
1217 1 45 LEU H 1 46 MET QB 3.252 . 4.574 4.411 4.223 4.517 . 0 0 "[ . 1]" 1
1218 1 45 LEU H 1 46 MET H 2.468 . 3.230 2.611 2.471 2.725 . 0 0 "[ . 1]" 1
1219 1 44 ALA HA 1 45 LEU H 3.039 . 4.193 3.574 3.559 3.601 . 0 0 "[ . 1]" 1
1220 1 45 LEU H 1 45 LEU HA 2.650 . 3.528 2.831 2.775 2.863 . 0 0 "[ . 1]" 1
1221 1 42 LYS HA 1 45 LEU H 3.253 . 4.576 3.677 3.575 3.853 . 0 0 "[ . 1]" 1
1222 1 45 LEU H 1 45 LEU HG 2.451 . 3.202 3.011 2.692 3.603 0.401 4 0 "[ . 1]" 1
1223 1 45 LEU H 1 45 LEU HB2 2.394 . 3.110 2.368 2.317 2.424 . 0 0 "[ . 1]" 1
1224 1 45 LEU H 1 45 LEU QD 2.564 . 3.386 2.336 1.721 2.742 0.021 4 0 "[ . 1]" 1
1225 1 53 GLU H 1 54 CYS H 2.803 . 3.785 2.679 2.486 2.777 . 0 0 "[ . 1]" 1
1226 1 54 CYS H 1 55 CYS H 2.394 . 3.111 2.752 2.508 2.968 . 0 0 "[ . 1]" 1
1227 1 53 GLU HA 1 54 CYS H 3.259 . 4.587 3.500 3.362 3.548 . 0 0 "[ . 1]" 1
1228 1 54 CYS H 1 54 CYS HB3 2.820 . 3.814 2.747 2.581 3.634 . 0 0 "[ . 1]" 1
1229 1 54 CYS H 1 54 CYS HB2 2.651 . 3.530 2.849 2.443 3.623 0.093 2 0 "[ . 1]" 1
1230 1 53 GLU HB2 1 54 CYS H 3.183 . 4.450 3.029 2.547 3.887 . 0 0 "[ . 1]" 1
1231 1 51 ILE HG13 1 54 CYS H 2.770 . 5.000 2.713 2.321 4.387 . 0 0 "[ . 1]" 1
1232 1 54 CYS H 1 54 CYS HA 2.929 . 4.001 2.935 2.919 2.946 . 0 0 "[ . 1]" 1
1233 1 51 ILE MD 1 54 CYS H 2.977 . 4.085 2.915 1.999 3.267 . 0 0 "[ . 1]" 1
1234 1 72 THR H 1 73 ASP H 2.925 . 6.000 4.588 4.544 4.620 . 0 0 "[ . 1]" 1
1235 1 71 ASP HA 1 72 THR H 2.805 . 3.789 3.179 3.058 3.296 . 0 0 "[ . 1]" 1
1236 1 72 THR H 1 72 THR HB 2.420 . 3.152 2.467 2.421 2.529 . 0 0 "[ . 1]" 1
1237 1 72 THR H 1 72 THR HA 2.596 . 3.438 2.884 2.844 2.906 . 0 0 "[ . 1]" 1
1238 1 72 THR H 1 72 THR MG 2.722 . 6.000 3.759 3.741 3.784 . 0 0 "[ . 1]" 1
1239 1 37 VAL MG2 1 72 THR H 2.883 . 3.922 3.260 2.800 3.624 . 0 0 "[ . 1]" 1
1240 1 79 GLY H 1 79 GLY HA3 2.675 . 3.570 2.870 2.842 2.887 . 0 0 "[ . 1]" 1
1241 1 79 GLY H 1 79 GLY HA2 2.608 . 3.458 2.278 2.252 2.296 . 0 0 "[ . 1]" 1
1242 1 78 THR HB 1 79 GLY H 2.328 . 6.000 4.344 4.276 4.400 . 0 0 "[ . 1]" 1
1243 1 78 THR MG 1 79 GLY H 2.879 . 3.915 2.945 2.852 3.023 . 0 0 "[ . 1]" 1
1244 1 17 VAL QG 1 79 GLY H 3.041 . 6.000 2.025 1.866 2.129 0.019 4 0 "[ . 1]" 1
1245 1 70 TRP H 1 71 ASP H 3.127 . 4.350 2.571 2.403 2.678 . 0 0 "[ . 1]" 1
1246 1 71 ASP H 1 72 THR H 2.380 . 3.088 2.530 2.357 2.726 . 0 0 "[ . 1]" 1
1247 1 71 ASP H 1 71 ASP HA 2.691 . 3.596 2.907 2.854 2.923 . 0 0 "[ . 1]" 1
1248 1 69 GLY HA2 1 71 ASP H 3.203 . 4.485 3.874 3.689 4.070 . 0 0 "[ . 1]" 1
1249 1 70 TRP HB2 1 71 ASP H 2.995 . 4.116 3.020 2.637 3.164 . 0 0 "[ . 1]" 1
1250 1 71 ASP H 1 71 ASP HB3 2.793 . 3.768 3.288 2.598 3.669 . 0 0 "[ . 1]" 1
1251 1 71 ASP H 1 71 ASP HB2 2.571 . 3.397 2.940 2.309 3.685 0.288 10 0 "[ . 1]" 1
1252 1 70 TRP HA 1 71 ASP H 3.139 . 4.371 3.476 3.419 3.533 . 0 0 "[ . 1]" 1
1253 1 76 TRP HA 1 78 THR H 2.917 . 3.981 3.773 3.695 3.872 . 0 0 "[ . 1]" 1
1254 1 77 LEU HA 1 78 THR H 2.829 . 3.829 3.014 2.900 3.069 . 0 0 "[ . 1]" 1
1255 1 78 THR H 1 78 THR HB 2.357 . 3.052 2.545 2.488 2.582 . 0 0 "[ . 1]" 1
1256 1 75 SER HA 1 78 THR H 2.939 . 4.019 3.431 3.237 3.620 . 0 0 "[ . 1]" 1
1257 1 78 THR H 1 78 THR HA 2.601 . 3.447 2.745 2.725 2.763 . 0 0 "[ . 1]" 1
1258 1 78 THR H 1 78 THR MG 2.692 . 6.000 3.757 3.751 3.763 . 0 0 "[ . 1]" 1
1259 1 17 VAL QG 1 78 THR H 3.162 . 4.412 3.899 3.714 4.013 . 0 0 "[ . 1]" 1
1260 1 61 GLN HE21 1 61 GLN QG 3.220 . 4.516 2.492 2.181 2.808 . 0 0 "[ . 1]" 1
1261 1 53 GLU H 1 53 GLU HG2 3.269 . 4.604 3.341 2.214 4.461 . 0 0 "[ . 1]" 1
1262 1 51 ILE HB 1 53 GLU H 2.605 . 3.453 2.529 2.438 2.658 . 0 0 "[ . 1]" 1
1263 1 51 ILE HG13 1 53 GLU H 3.222 . 4.520 3.588 3.311 4.391 . 0 0 "[ . 1]" 1
1264 1 52 PRO HB3 1 53 GLU H 2.759 . 4.500 4.328 4.259 4.460 . 0 0 "[ . 1]" 1
1265 1 51 ILE MD 1 53 GLU H 2.826 . 3.824 3.494 2.512 3.667 . 0 0 "[ . 1]" 1
1266 1 52 PRO HB2 1 53 GLU H 3.285 . 4.634 3.245 3.106 3.494 . 0 0 "[ . 1]" 1
1267 1 52 PRO HD2 1 53 GLU H 3.137 . 4.367 2.570 2.382 2.810 . 0 0 "[ . 1]" 1
1268 1 24 LYS H 1 24 LYS HG2 2.904 . 3.958 2.768 2.681 2.850 . 0 0 "[ . 1]" 1
1269 1 22 PRO HA 1 24 LYS H 3.259 . 4.587 3.268 2.948 3.551 . 0 0 "[ . 1]" 1
1270 1 23 ASN HA 1 24 LYS H 2.780 . 3.746 2.903 2.774 3.043 . 0 0 "[ . 1]" 1
1271 1 24 LYS H 1 24 LYS HA 2.230 . 2.851 2.258 2.251 2.270 . 0 0 "[ . 1]" 1
1272 1 68 ILE HA 1 69 GLY H 2.278 . 2.926 2.302 2.265 2.394 . 0 0 "[ . 1]" 1
1273 1 69 GLY H 1 69 GLY HA3 2.614 . 3.468 2.341 2.310 2.376 . 0 0 "[ . 1]" 1
1274 1 69 GLY H 1 69 GLY HA2 2.432 . 3.171 2.914 2.892 2.931 . 0 0 "[ . 1]" 1
1275 1 68 ILE HB 1 69 GLY H 3.085 . 4.275 3.750 3.565 3.860 . 0 0 "[ . 1]" 1
1276 1 68 ILE MG 1 69 GLY H 2.700 . 3.612 2.026 1.903 2.112 . 0 0 "[ . 1]" 1
1277 1 47 MET H 1 49 GLY H 3.275 . 4.616 4.053 3.822 4.262 . 0 0 "[ . 1]" 1
1278 1 48 ARG HA 1 49 GLY H 2.959 . 4.053 3.218 3.073 3.415 . 0 0 "[ . 1]" 1
1279 1 46 MET HA 1 49 GLY H 2.998 . 4.121 3.411 3.097 3.779 . 0 0 "[ . 1]" 1
1280 1 49 GLY H 1 49 GLY HA3 2.512 . 3.301 2.864 2.816 2.924 . 0 0 "[ . 1]" 1
1281 1 49 GLY H 1 49 GLY HA2 2.348 . 3.037 2.315 2.298 2.357 . 0 0 "[ . 1]" 1
1282 1 45 LEU HA 1 49 GLY H 3.119 . 6.000 4.898 4.395 5.185 . 0 0 "[ . 1]" 1
1283 1 73 ASP H 1 74 ILE H 3.517 . 5.063 4.539 4.396 4.582 . 0 0 "[ . 1]" 1
1284 1 73 ASP HB2 1 76 TRP HE1 3.496 . 5.024 3.721 3.260 4.205 . 0 0 "[ . 1]" 1
1285 1 20 PHE H 1 21 LEU H 3.305 . 4.670 4.205 4.078 4.276 . 0 0 "[ . 1]" 1
1286 1 20 PHE H 1 82 LEU HB3 3.526 . 5.080 4.694 4.117 5.147 0.067 4 0 "[ . 1]" 1
1287 1 61 GLN H 1 65 LYS HA 3.348 . 4.749 3.673 3.221 3.981 . 0 0 "[ . 1]" 1
1288 1 60 ILE MD 1 61 GLN H 3.586 . 5.193 3.964 3.549 4.246 . 0 0 "[ . 1]" 1
1289 1 55 CYS HB3 1 87 LEU H 3.623 . 5.264 4.938 4.772 5.135 . 0 0 "[ . 1]" 1
1290 1 65 LYS H 1 66 LYS H 3.550 . 5.125 4.391 4.164 4.491 . 0 0 "[ . 1]" 1
1291 1 65 LYS HG2 1 66 LYS H 3.446 . 4.930 4.662 4.507 4.851 . 0 0 "[ . 1]" 1
1292 1 18 ARG H 1 82 LEU H 3.498 . 5.028 3.754 3.483 3.831 . 0 0 "[ . 1]" 1
1293 1 69 GLY HA3 1 70 TRP H 3.337 . 4.729 3.074 2.985 3.164 . 0 0 "[ . 1]" 1
1294 1 69 GLY HA2 1 70 TRP H 3.387 . 4.821 2.212 2.165 2.253 . 0 0 "[ . 1]" 1
1295 1 84 VAL H 1 85 GLU H 3.502 . 5.035 4.303 4.161 4.485 . 0 0 "[ . 1]" 1
1296 1 56 ALA MB 1 85 GLU H 3.357 . 4.765 3.516 3.319 3.701 . 0 0 "[ . 1]" 1
1297 1 72 THR MG 1 76 TRP H 3.490 . 5.012 4.077 3.896 4.338 . 0 0 "[ . 1]" 1
1298 1 73 ASP HB2 1 76 TRP H 3.393 . 4.832 4.888 4.820 4.985 0.153 5 0 "[ . 1]" 1
1299 1 20 PHE HB2 1 21 LEU H 3.539 . 5.104 4.462 4.432 4.486 . 0 0 "[ . 1]" 1
1300 1 21 LEU H 1 25 GLN HB3 3.531 . 5.090 3.712 3.414 4.114 . 0 0 "[ . 1]" 1
1301 1 21 LEU H 1 25 GLN HB2 3.495 . 5.022 3.097 2.996 3.304 . 0 0 "[ . 1]" 1
1302 1 60 ILE H 1 60 ILE MD 3.326 . 4.709 2.837 2.041 3.855 . 0 0 "[ . 1]" 1
1303 1 60 ILE H 1 68 ILE MD 3.396 . 6.000 5.325 5.186 5.497 . 0 0 "[ . 1]" 1
1304 1 65 LYS H 1 65 LYS HD2 3.396 . 4.838 4.632 4.440 4.926 0.088 9 0 "[ . 1]" 1
1305 1 65 LYS H 1 65 LYS HG2 3.308 . 4.676 3.408 3.216 3.777 . 0 0 "[ . 1]" 1
1306 1 88 GLU HA 1 90 VAL H 3.345 . 4.744 3.845 3.154 4.749 0.005 1 0 "[ . 1]" 1
1307 1 89 ASN HB3 1 90 VAL H 3.413 . 4.869 4.396 4.088 4.598 . 0 0 "[ . 1]" 1
1308 1 60 ILE H 1 83 HIS HD2 3.356 . 4.764 2.858 2.001 3.134 . 0 0 "[ . 1]" 1
1309 1 81 GLU HG2 1 82 LEU H 3.403 . 4.851 4.870 4.343 5.518 0.667 9 4 "[- **. +1]" 1
1310 1 81 GLU HB2 1 82 LEU H 3.397 . 4.840 4.372 4.307 4.425 . 0 0 "[ . 1]" 1
1311 1 31 ALA H 1 32 ARG H 3.417 . 4.876 4.079 3.857 4.449 . 0 0 "[ . 1]" 1
1312 1 32 ARG H 1 33 CYS H 3.579 . 5.180 4.359 4.244 4.423 . 0 0 "[ . 1]" 1
1313 1 32 ARG H 1 35 VAL HB 3.326 . 4.709 4.600 4.272 4.799 0.090 7 0 "[ . 1]" 1
1314 1 58 TYR H 1 58 TYR HB3 3.457 . 4.951 3.786 3.745 3.827 . 0 0 "[ . 1]" 1
1315 1 85 GLU HB2 1 86 VAL H 2.837 . 3.843 3.833 3.603 3.920 0.077 5 0 "[ . 1]" 1
1316 1 58 TYR H 1 68 ILE H 3.502 . 5.035 4.498 4.305 4.725 . 0 0 "[ . 1]" 1
1317 1 35 VAL H 1 36 THR H 3.422 . 4.886 4.426 4.218 4.506 . 0 0 "[ . 1]" 1
1318 1 83 HIS HB3 1 84 VAL H 3.205 . 4.489 3.366 3.118 3.443 . 0 0 "[ . 1]" 1
1319 1 84 VAL H 1 84 VAL MG1 3.350 . 4.753 3.675 3.601 3.746 . 0 0 "[ . 1]" 1
1320 1 57 VAL MG1 1 68 ILE H 3.342 . 4.738 3.930 3.632 4.070 . 0 0 "[ . 1]" 1
1321 1 67 PRO HG3 1 68 ILE H 3.733 . 5.475 5.305 4.997 5.628 0.153 6 0 "[ . 1]" 1
1322 1 67 PRO HG2 1 68 ILE H 3.611 . 5.241 5.410 5.042 5.615 0.374 2 0 "[ . 1]" 1
1323 1 57 VAL MG2 1 68 ILE H 3.574 . 6.000 4.695 4.533 4.802 . 0 0 "[ . 1]" 1
1324 1 57 VAL MG1 1 83 HIS H 3.506 . 5.042 3.203 2.911 3.525 . 0 0 "[ . 1]" 1
1325 1 27 THR HA 1 28 VAL H 2.930 . 4.003 2.355 2.265 2.558 . 0 0 "[ . 1]" 1
1326 1 28 VAL H 1 29 VAL HA 3.424 . 4.890 4.877 4.704 4.941 0.051 8 0 "[ . 1]" 1
1327 1 28 VAL H 1 28 VAL HB 3.348 . 4.749 3.347 3.184 3.828 . 0 0 "[ . 1]" 1
1328 1 31 ALA HA 1 33 CYS H 2.946 . 6.000 5.620 5.572 5.668 . 0 0 "[ . 1]" 1
1329 1 32 ARG QB 1 33 CYS H 3.474 . 4.983 3.520 3.452 3.857 . 0 0 "[ . 1]" 1
1330 1 87 LEU HB3 1 88 GLU H 3.360 . 4.771 4.109 3.992 4.139 . 0 0 "[ . 1]" 1
1331 1 86 VAL QG 1 88 GLU H 3.490 . 5.013 3.432 3.154 4.124 . 0 0 "[ . 1]" 1
1332 1 25 GLN HG2 1 26 ARG H 3.447 . 4.932 4.690 3.923 4.866 . 0 0 "[ . 1]" 1
1333 1 62 ASP HA 1 64 GLU H 3.349 . 4.751 3.983 3.881 4.041 . 0 0 "[ . 1]" 1
1334 1 62 ASP HB3 1 64 GLU H 3.472 . 4.979 4.944 4.300 5.061 0.082 5 0 "[ . 1]" 1
1335 1 62 ASP HB2 1 64 GLU H 3.402 . 4.849 4.564 4.407 5.135 0.286 6 0 "[ . 1]" 1
1336 1 61 GLN HB2 1 64 GLU H 3.316 . 4.691 3.654 3.468 3.870 . 0 0 "[ . 1]" 1
1337 1 17 VAL H 1 18 ARG H 3.344 . 4.742 4.353 4.172 4.436 . 0 0 "[ . 1]" 1
1338 1 17 VAL H 1 30 PRO HA 3.447 . 4.933 3.921 3.763 4.013 . 0 0 "[ . 1]" 1
1339 1 45 LEU HA 1 50 LEU H 3.405 . 4.854 3.777 3.599 3.942 . 0 0 "[ . 1]" 1
1340 1 50 LEU H 1 50 LEU HG 2.517 . 6.000 3.889 3.143 4.550 . 0 0 "[ . 1]" 1
1341 1 45 LEU HB3 1 50 LEU H 3.478 . 4.990 3.479 3.296 3.647 . 0 0 "[ . 1]" 1
1342 1 16 ILE H 1 17 VAL H 3.414 . 6.000 4.447 4.422 4.480 . 0 0 "[ . 1]" 1
1343 1 40 SER HA 1 42 LYS H 3.437 . 4.914 4.201 4.077 4.389 . 0 0 "[ . 1]" 1
1344 1 40 SER QB 1 42 LYS H 3.522 . 5.072 4.562 4.299 4.736 . 0 0 "[ . 1]" 1
1345 1 42 LYS H 1 43 LYS HA 3.524 . 6.000 5.331 5.275 5.390 . 0 0 "[ . 1]" 1
1346 1 42 LYS H 1 42 LYS HG2 3.029 . 6.000 4.293 3.951 4.456 . 0 0 "[ . 1]" 1
1347 1 77 LEU H 1 77 LEU QD 2.806 . 3.791 2.672 1.752 3.240 0.069 6 0 "[ . 1]" 1
1348 1 38 ARG H 1 39 ASP HA 3.481 . 6.000 5.479 5.416 5.533 . 0 0 "[ . 1]" 1
1349 1 37 VAL HA 1 38 ARG H 3.441 . 4.921 3.514 3.438 3.557 . 0 0 "[ . 1]" 1
1350 1 38 ARG H 1 40 SER H 3.449 . 4.936 4.406 4.246 4.548 . 0 0 "[ . 1]" 1
1351 1 45 LEU HB2 1 47 MET H 3.459 . 4.955 5.007 4.979 5.043 0.088 6 0 "[ . 1]" 1
1352 1 38 ARG HA 1 41 LEU H 3.325 . 4.707 4.149 3.754 4.542 . 0 0 "[ . 1]" 1
1353 1 38 ARG HA 1 39 ASP H 3.393 . 4.832 3.565 3.526 3.579 . 0 0 "[ . 1]" 1
1354 1 39 ASP H 1 40 SER QB 3.588 . 6.000 4.482 4.158 4.882 . 0 0 "[ . 1]" 1
1355 1 35 VAL MG2 1 39 ASP H 3.585 . 5.192 4.330 3.736 4.813 . 0 0 "[ . 1]" 1
1356 1 81 GLU H 1 82 LEU H 3.420 . 4.882 4.313 4.277 4.351 . 0 0 "[ . 1]" 1
1357 1 18 ARG HB2 1 81 GLU H 3.414 . 4.871 4.712 4.370 4.897 0.026 10 0 "[ . 1]" 1
1358 1 81 GLU H 1 82 LEU QD 3.519 . 6.000 4.021 3.687 4.409 . 0 0 "[ . 1]" 1
1359 1 74 ILE HB 1 75 SER H 3.407 . 4.858 4.419 4.022 4.514 . 0 0 "[ . 1]" 1
1360 1 59 ARG H 1 67 PRO HA 3.410 . 4.864 4.013 3.863 4.122 . 0 0 "[ . 1]" 1
1361 1 56 ALA H 1 57 VAL H 3.349 . 4.751 4.408 4.387 4.425 . 0 0 "[ . 1]" 1
1362 1 57 VAL H 1 70 TRP HE1 3.482 . 4.997 3.570 3.349 3.794 . 0 0 "[ . 1]" 1
1363 1 25 GLN H 1 26 ARG H 3.308 . 4.676 4.555 4.516 4.609 . 0 0 "[ . 1]" 1
1364 1 21 LEU QD 1 25 GLN H 3.448 . 4.935 4.281 4.083 4.523 . 0 0 "[ . 1]" 1
1365 1 53 GLU HA 1 55 CYS H 3.435 . 4.910 3.828 3.682 3.956 . 0 0 "[ . 1]" 1
1366 1 55 CYS H 1 70 TRP HZ2 3.455 . 4.948 3.934 3.709 4.092 . 0 0 "[ . 1]" 1
1367 1 48 ARG H 1 49 GLY HA3 3.409 . 6.000 4.947 4.796 5.106 . 0 0 "[ . 1]" 1
1368 1 48 ARG H 1 49 GLY HA2 3.382 . 4.812 4.557 4.374 4.769 . 0 0 "[ . 1]" 1
1369 1 48 ARG H 1 48 ARG QD 3.488 . 5.008 4.387 4.142 4.622 . 0 0 "[ . 1]" 1
1370 1 38 ARG HB2 1 40 SER H 3.431 . 6.000 5.300 4.737 5.713 . 0 0 "[ . 1]" 1
1371 1 26 ARG HG3 1 27 THR H 3.145 . 4.381 2.986 2.499 4.369 . 0 0 "[ . 1]" 1
1372 1 35 VAL HB 1 36 THR H 3.574 . 5.171 4.271 4.174 4.408 . 0 0 "[ . 1]" 1
1373 1 41 LEU HA 1 45 LEU H 3.435 . 4.910 3.835 3.648 3.953 . 0 0 "[ . 1]" 1
1374 1 51 ILE HG12 1 54 CYS H 3.449 . 4.936 4.333 4.064 4.999 0.063 5 0 "[ . 1]" 1
1375 1 37 VAL H 1 72 THR H 3.344 . 4.742 3.773 3.559 3.991 . 0 0 "[ . 1]" 1
1376 1 70 TRP HA 1 72 THR H 3.392 . 4.830 3.524 3.411 3.618 . 0 0 "[ . 1]" 1
1377 1 69 GLY HA2 1 72 THR H 3.344 . 4.742 4.457 4.277 4.553 . 0 0 "[ . 1]" 1
1378 1 16 ILE H 1 79 GLY H 3.520 . 5.069 4.588 4.391 4.782 . 0 0 "[ . 1]" 1
1379 1 31 ALA MB 1 79 GLY H 3.396 . 4.837 3.243 3.071 3.431 . 0 0 "[ . 1]" 1
1380 1 69 GLY HA3 1 71 ASP H 3.372 . 4.793 3.435 3.118 3.821 . 0 0 "[ . 1]" 1
1381 1 70 TRP HB3 1 71 ASP H 3.386 . 4.819 3.802 3.595 3.997 . 0 0 "[ . 1]" 1
1382 1 38 ARG HG3 1 71 ASP H 3.504 . 6.000 5.221 3.711 6.795 0.795 4 3 "[ +. * -]" 1
1383 1 78 THR H 1 79 GLY H 3.485 . 5.003 4.371 4.339 4.400 . 0 0 "[ . 1]" 1
1384 1 76 TRP H 1 78 THR H 3.442 . 4.923 4.068 3.984 4.216 . 0 0 "[ . 1]" 1
1385 1 31 ALA MB 1 78 THR H 3.352 . 4.756 3.884 3.797 3.973 . 0 0 "[ . 1]" 1
1386 1 77 LEU HG 1 78 THR H 3.561 . 6.000 5.026 4.366 5.932 . 0 0 "[ . 1]" 1
1387 1 53 GLU H 1 53 GLU HG3 3.345 . 4.744 3.367 2.039 4.427 . 0 0 "[ . 1]" 1
1388 1 52 PRO HA 1 53 GLU H 3.514 . 5.058 3.428 3.355 3.475 . 0 0 "[ . 1]" 1
1389 1 53 GLU H 1 53 GLU HA 2.855 . 3.874 2.807 2.776 2.865 . 0 0 "[ . 1]" 1
1390 1 52 PRO HD3 1 53 GLU H 3.475 . 4.985 3.739 3.585 3.829 . 0 0 "[ . 1]" 1
1391 1 61 GLN HE22 1 61 GLN QG 3.479 . 4.992 3.370 3.216 3.487 . 0 0 "[ . 1]" 1
1392 1 24 LYS H 1 24 LYS HB3 3.309 . 4.678 4.056 4.031 4.085 . 0 0 "[ . 1]" 1
1393 1 24 LYS H 1 24 LYS HB2 3.448 . 4.934 3.495 3.400 3.569 . 0 0 "[ . 1]" 1
1394 1 48 ARG HB3 1 49 GLY H 3.521 . 5.070 4.195 3.895 4.355 . 0 0 "[ . 1]" 1
1395 1 48 ARG HB2 1 49 GLY H 3.329 . 4.714 3.670 3.186 3.930 . 0 0 "[ . 1]" 1
1396 1 56 ALA MB 1 70 TRP HE1 3.512 . 5.053 3.092 2.782 3.376 . 0 0 "[ . 1]" 1
1397 1 57 VAL MG2 1 70 TRP HE1 3.593 . 5.207 3.689 3.290 3.875 . 0 0 "[ . 1]" 1
1398 1 72 THR HB 1 73 ASP H 2.714 . 6.000 3.946 3.764 4.056 . 0 0 "[ . 1]" 1
1399 1 21 LEU H 1 25 GLN HA 3.119 . 4.335 4.435 4.395 4.470 0.135 2 0 "[ . 1]" 1
1400 1 32 ARG H 1 32 ARG HA 2.597 . 3.440 2.860 2.804 2.929 . 0 0 "[ . 1]" 1
1401 1 84 VAL H 1 84 VAL HA 2.783 . 3.751 2.928 2.920 2.940 . 0 0 "[ . 1]" 1
1402 1 17 VAL H 1 29 VAL MG2 2.944 . 6.000 4.251 2.748 4.768 . 0 0 "[ . 1]" 1
1403 1 41 LEU H 1 41 LEU HG 2.716 . 3.638 3.465 2.727 3.784 0.146 1 0 "[ . 1]" 1
1404 1 81 GLU H 1 81 GLU HB2 2.502 . 3.284 2.444 2.350 2.550 . 0 0 "[ . 1]" 1
1405 1 59 ARG H 1 66 LYS QB 3.415 . 4.873 2.689 2.378 2.913 . 0 0 "[ . 1]" 1
1406 1 38 ARG HA 1 40 SER H 3.338 . 4.730 4.819 4.759 4.887 0.157 3 0 "[ . 1]" 1
1407 1 53 GLU H 1 53 GLU HB3 2.901 . 3.953 3.366 2.488 3.591 . 0 0 "[ . 1]" 1
1408 1 83 HIS H 1 84 VAL H 3.354 . 4.760 4.273 4.196 4.401 . 0 0 "[ . 1]" 1
1409 1 20 PHE H 1 84 VAL H 3.451 . 4.940 3.177 2.748 3.596 . 0 0 "[ . 1]" 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 221
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 176.392
_Distance_constraint_stats_list.Viol_max 0.704
_Distance_constraint_stats_list.Viol_rms 0.0418
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.1251
_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 12 PRO 0.000 0.000 . 0 "[ . 1]"
1 13 GLN 0.000 0.000 . 0 "[ . 1]"
1 14 LYS 0.000 0.000 . 0 "[ . 1]"
1 15 PRO 0.000 0.000 . 0 "[ . 1]"
1 16 ILE 1.036 0.485 8 0 "[ . 1]"
1 17 VAL 0.000 0.000 . 0 "[ . 1]"
1 18 ARG 2.428 0.485 8 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 PHE 0.967 0.138 2 0 "[ . 1]"
1 21 LEU 0.065 0.065 7 0 "[ . 1]"
1 22 PRO 0.452 0.127 5 0 "[ . 1]"
1 23 ASN 0.000 0.000 . 0 "[ . 1]"
1 24 LYS 0.168 0.117 6 0 "[ . 1]"
1 25 GLN 0.068 0.044 3 0 "[ . 1]"
1 26 ARG 1.810 0.168 6 0 "[ . 1]"
1 27 THR 0.000 0.000 . 0 "[ . 1]"
1 28 VAL 0.658 0.175 4 0 "[ . 1]"
1 29 VAL 0.031 0.029 3 0 "[ . 1]"
1 30 PRO 1.233 0.164 8 0 "[ . 1]"
1 32 ARG 3.076 0.485 8 0 "[ . 1]"
1 33 CYS 0.000 0.000 . 0 "[ . 1]"
1 34 GLY 0.000 0.000 . 0 "[ . 1]"
1 35 VAL 1.880 0.485 8 0 "[ . 1]"
1 36 THR 0.000 0.000 . 0 "[ . 1]"
1 37 VAL 0.997 0.158 10 0 "[ . 1]"
1 38 ARG 2.687 0.704 1 2 "[+- . 1]"
1 39 ASP 1.278 0.320 8 0 "[ . 1]"
1 40 SER 1.076 0.247 5 0 "[ . 1]"
1 41 LEU 0.000 0.000 . 0 "[ . 1]"
1 42 LYS 5.231 0.704 1 2 "[+- . 1]"
1 43 LYS 0.932 0.450 10 0 "[ . 1]"
1 44 ALA 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 0.140 0.140 5 0 "[ . 1]"
1 46 MET 0.197 0.140 5 0 "[ . 1]"
1 47 MET 0.140 0.140 5 0 "[ . 1]"
1 48 ARG 0.205 0.140 5 0 "[ . 1]"
1 49 GLY 0.000 0.000 . 0 "[ . 1]"
1 50 LEU 0.000 0.000 . 0 "[ . 1]"
1 51 ILE 0.000 0.000 . 0 "[ . 1]"
1 52 PRO 0.384 0.127 5 0 "[ . 1]"
1 53 GLU 0.000 0.000 . 0 "[ . 1]"
1 55 CYS 0.000 0.000 . 0 "[ . 1]"
1 56 ALA 0.000 0.000 . 0 "[ . 1]"
1 57 VAL 0.000 0.000 . 0 "[ . 1]"
1 58 TYR 0.000 0.000 . 0 "[ . 1]"
1 59 ARG 0.085 0.085 3 0 "[ . 1]"
1 60 ILE 0.000 0.000 . 0 "[ . 1]"
1 61 GLN 0.000 0.000 . 0 "[ . 1]"
1 62 ASP 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 0.000 0.000 . 0 "[ . 1]"
1 65 LYS 0.356 0.356 9 0 "[ . 1]"
1 66 LYS 0.000 0.000 . 0 "[ . 1]"
1 67 PRO 0.000 0.000 . 0 "[ . 1]"
1 68 ILE 0.391 0.118 10 0 "[ . 1]"
1 69 GLY 0.306 0.118 10 0 "[ . 1]"
1 71 ASP 0.000 0.000 . 0 "[ . 1]"
1 72 THR 0.000 0.000 . 0 "[ . 1]"
1 73 ASP 0.000 0.000 . 0 "[ . 1]"
1 74 ILE 2.073 0.247 5 0 "[ . 1]"
1 76 TRP 0.000 0.000 . 0 "[ . 1]"
1 77 LEU 0.222 0.090 4 0 "[ . 1]"
1 78 THR 0.000 0.000 . 0 "[ . 1]"
1 80 GLU 0.222 0.090 4 0 "[ . 1]"
1 81 GLU 0.627 0.391 9 0 "[ . 1]"
1 82 LEU 0.000 0.000 . 0 "[ . 1]"
1 83 HIS 0.870 0.138 2 0 "[ . 1]"
1 84 VAL 0.384 0.127 5 0 "[ . 1]"
1 85 GLU 0.000 0.000 . 0 "[ . 1]"
1 86 VAL 0.000 0.000 . 0 "[ . 1]"
1 87 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 VAL 0.000 0.000 . 0 "[ . 1]"
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 90 VAL HA 1 90 VAL QG 2.231 . 2.853 2.205 2.195 2.243 . 0 0 "[ . 1]" 2
2 1 12 PRO HA 1 12 PRO HB3 2.025 . 2.538 2.024 2.014 2.038 . 0 0 "[ . 1]" 2
3 1 59 ARG HG2 1 67 PRO HA 3.182 . 4.448 4.255 4.147 4.410 . 0 0 "[ . 1]" 2
4 1 12 PRO HA 1 12 PRO HG3 2.349 . 3.039 2.692 2.284 2.940 . 0 0 "[ . 1]" 2
5 1 35 VAL MG1 1 40 SER QB 3.060 . 4.230 1.800 1.643 2.056 0.247 5 0 "[ . 1]" 2
6 1 67 PRO HA 1 68 ILE HB 3.110 . 4.319 3.941 3.830 4.102 . 0 0 "[ . 1]" 2
7 1 41 LEU HB2 1 42 LYS HA 2.585 . 6.000 4.074 3.984 4.160 . 0 0 "[ . 1]" 2
8 1 21 LEU HA 1 84 VAL HA 3.110 . 4.319 4.049 3.974 4.139 . 0 0 "[ . 1]" 2
9 1 16 ILE HB 1 28 VAL HA 2.912 . 3.972 3.720 3.392 3.907 . 0 0 "[ . 1]" 2
10 1 43 LYS HA 1 43 LYS QD 2.683 . 3.583 3.116 1.986 3.430 . 0 0 "[ . 1]" 2
11 1 33 CYS HA 1 33 CYS QB 2.308 . 2.974 2.305 2.173 2.381 . 0 0 "[ . 1]" 2
12 1 53 GLU HA 1 53 GLU QB 2.337 . 3.019 2.376 2.334 2.443 . 0 0 "[ . 1]" 2
13 1 16 ILE HA 1 28 VAL QG 2.592 . 6.000 3.532 3.427 3.747 . 0 0 "[ . 1]" 2
14 1 55 CYS HA 1 87 LEU HB2 2.646 . 6.000 3.188 2.380 3.923 . 0 0 "[ . 1]" 2
15 1 55 CYS HA 1 86 VAL QG 2.703 . 6.000 3.747 3.614 3.987 . 0 0 "[ . 1]" 2
16 1 43 LYS HA 1 47 MET HA 2.862 . 6.000 5.204 5.157 5.238 . 0 0 "[ . 1]" 2
17 1 47 MET HA 1 47 MET QG 2.180 . 2.774 2.407 2.364 2.438 . 0 0 "[ . 1]" 2
18 1 47 MET HA 1 47 MET QB 1.995 . 2.493 2.390 2.365 2.414 . 0 0 "[ . 1]" 2
19 1 68 ILE HA 1 68 ILE QG 2.523 . 3.319 2.610 2.371 3.097 . 0 0 "[ . 1]" 2
20 1 24 LYS HA 1 24 LYS QB 2.254 . 2.889 2.388 2.363 2.418 . 0 0 "[ . 1]" 2
21 1 29 VAL HA 1 30 PRO QG 2.842 . 3.851 3.817 3.778 3.880 0.029 3 0 "[ . 1]" 2
22 1 39 ASP HA 1 42 LYS QD 2.497 . 3.276 3.392 3.300 3.596 0.320 8 0 "[ . 1]" 2
23 1 18 ARG HA 1 18 ARG QB 2.454 . 3.207 2.365 2.343 2.383 . 0 0 "[ . 1]" 2
24 1 58 TYR HA 1 59 ARG HG2 3.142 . 4.376 3.656 3.428 4.092 . 0 0 "[ . 1]" 2
25 1 18 ARG HA 1 18 ARG QD 2.958 . 4.051 4.035 3.928 4.154 0.103 8 0 "[ . 1]" 2
26 1 13 GLN HA 1 13 GLN QG 2.374 . 3.079 2.639 2.430 3.062 . 0 0 "[ . 1]" 2
27 1 80 GLU HA 1 80 GLU HB2 2.088 . 6.000 2.451 2.233 2.672 . 0 0 "[ . 1]" 2
28 1 87 LEU HA 1 87 LEU HB2 2.222 . 2.839 2.561 2.380 2.809 . 0 0 "[ . 1]" 2
29 1 20 PHE HB3 1 26 ARG HA 2.616 . 3.471 3.558 3.495 3.609 0.138 2 0 "[ . 1]" 2
30 1 25 GLN HA 1 26 ARG QG 2.999 . 6.000 5.608 4.532 5.803 . 0 0 "[ . 1]" 2
31 1 44 ALA HA 1 47 MET QG 2.679 . 6.000 4.171 4.053 4.313 . 0 0 "[ . 1]" 2
32 1 59 ARG HA 1 60 ILE QG 3.085 . 6.000 3.801 3.419 4.558 . 0 0 "[ . 1]" 2
33 1 59 ARG HA 1 68 ILE MD 2.469 . 3.231 2.735 2.464 3.101 . 0 0 "[ . 1]" 2
34 1 23 ASN HA 1 23 ASN QB 1.995 . 2.493 2.394 2.369 2.458 . 0 0 "[ . 1]" 2
35 1 77 LEU HA 1 80 GLU HB2 2.502 . 3.284 3.109 2.739 3.374 0.090 4 0 "[ . 1]" 2
36 1 82 LEU HA 1 82 LEU HB3 2.517 . 3.309 2.354 2.325 2.386 . 0 0 "[ . 1]" 2
37 1 29 VAL HA 1 30 PRO HD3 2.046 . 2.569 1.918 1.789 2.270 . 0 0 "[ . 1]" 2
38 1 12 PRO HA 1 12 PRO HD3 2.863 . 3.888 3.375 3.183 3.508 . 0 0 "[ . 1]" 2
39 1 30 PRO HB3 1 30 PRO QD 2.580 . 3.412 3.396 2.851 3.528 0.116 1 0 "[ . 1]" 2
40 1 29 VAL HB 1 30 PRO QD 2.251 . 6.000 3.525 2.764 3.988 . 0 0 "[ . 1]" 2
41 1 12 PRO HD3 1 12 PRO HG2 1.974 . 2.461 1.951 1.935 1.963 . 0 0 "[ . 1]" 2
42 1 30 PRO HB2 1 30 PRO QD 2.548 . 3.360 3.029 2.866 3.524 0.164 8 0 "[ . 1]" 2
43 1 16 ILE MG 1 30 PRO HD3 2.589 . 3.427 2.669 2.496 3.023 . 0 0 "[ . 1]" 2
44 1 12 PRO HD2 1 12 PRO QG 2.144 . 2.719 2.219 2.172 2.253 . 0 0 "[ . 1]" 2
45 1 14 LYS HA 1 15 PRO HD2 2.113 . 2.671 2.216 1.933 2.389 . 0 0 "[ . 1]" 2
46 1 15 PRO HD2 1 15 PRO QG 2.424 . 3.158 2.218 2.178 2.245 . 0 0 "[ . 1]" 2
47 1 45 LEU QD 1 52 PRO HD2 3.045 . 6.000 3.917 3.781 4.299 . 0 0 "[ . 1]" 2
48 1 57 VAL HB 1 69 GLY HA2 2.885 . 6.000 4.968 4.767 5.090 . 0 0 "[ . 1]" 2
49 1 16 ILE HB 1 16 ILE MD 2.087 . 2.631 1.941 1.927 1.958 . 0 0 "[ . 1]" 2
50 1 59 ARG QB 1 59 ARG HD2 2.313 . 2.982 2.184 2.127 2.370 . 0 0 "[ . 1]" 2
51 1 20 PHE HA 1 26 ARG QD 3.130 . 4.355 4.233 4.022 4.386 0.031 3 0 "[ . 1]" 2
52 1 26 ARG HD2 1 26 ARG QG 2.035 . 2.552 2.173 2.123 2.325 . 0 0 "[ . 1]" 2
53 1 32 ARG HA 1 32 ARG QD 2.746 . 3.688 3.915 3.820 4.070 0.382 8 0 "[ . 1]" 2
54 1 18 ARG HD2 1 18 ARG HG3 1.865 . 2.300 2.139 2.035 2.196 . 0 0 "[ . 1]" 2
55 1 16 ILE MD 1 18 ARG HD2 2.149 . 2.726 2.567 2.008 3.211 0.485 8 0 "[ . 1]" 2
56 1 48 ARG QD 1 48 ARG QG 1.987 . 2.480 2.065 2.004 2.091 . 0 0 "[ . 1]" 2
57 1 18 ARG QD 1 18 ARG HG2 2.129 . 2.696 2.174 2.145 2.349 . 0 0 "[ . 1]" 2
58 1 18 ARG HD2 1 28 VAL MG1 2.430 . 3.168 3.019 2.467 3.343 0.175 4 0 "[ . 1]" 2
59 1 21 LEU HB2 1 48 ARG QD 2.452 . 3.204 2.503 1.941 3.269 0.065 7 0 "[ . 1]" 2
60 1 18 ARG HA 1 18 ARG HD3 2.528 . 6.000 3.680 3.343 3.788 . 0 0 "[ . 1]" 2
61 1 77 LEU QB 1 77 LEU HG 2.595 . 3.437 2.316 2.148 2.442 . 0 0 "[ . 1]" 2
62 1 24 LYS HB3 1 24 LYS QE 2.397 . 3.115 2.431 1.950 3.232 0.117 6 0 "[ . 1]" 2
63 1 24 LYS QE 1 24 LYS QG 1.944 . 4.316 2.570 2.275 2.732 . 0 0 "[ . 1]" 2
64 1 38 ARG HB3 1 42 LYS QE 2.802 . 3.783 3.128 2.471 3.903 0.120 7 0 "[ . 1]" 2
65 1 38 ARG HB2 1 42 LYS QE 2.590 . 3.429 3.211 2.246 4.133 0.704 1 2 "[+- . 1]" 2
66 1 42 LYS QE 1 42 LYS HG3 2.322 . 2.996 2.255 2.208 2.347 . 0 0 "[ . 1]" 2
67 1 43 LYS QE 1 46 MET QB 2.798 . 3.776 3.182 2.860 3.833 0.057 1 0 "[ . 1]" 2
68 1 43 LYS QB 1 43 LYS HE2 2.361 . 3.058 2.265 1.969 2.443 . 0 0 "[ . 1]" 2
69 1 42 LYS HB3 1 42 LYS QE 2.379 . 3.087 3.194 2.892 3.288 0.201 4 0 "[ . 1]" 2
70 1 39 ASP HA 1 42 LYS QE 2.503 . 3.286 1.720 1.622 1.750 0.098 8 0 "[ . 1]" 2
71 1 42 LYS HA 1 42 LYS QE 2.885 . 6.000 4.235 4.110 4.368 . 0 0 "[ . 1]" 2
72 1 42 LYS HB2 1 42 LYS QE 2.217 . 2.831 2.210 2.120 2.310 . 0 0 "[ . 1]" 2
73 1 14 LYS HD2 1 14 LYS HE2 1.701 . 3.062 1.917 1.854 1.968 . 0 0 "[ . 1]" 2
74 1 14 LYS HE2 1 14 LYS HG3 1.969 . 2.454 2.053 1.951 2.139 . 0 0 "[ . 1]" 2
75 1 77 LEU HB2 1 77 LEU MD1 2.276 . 2.924 2.334 1.982 2.860 . 0 0 "[ . 1]" 2
76 1 65 LYS HA 1 65 LYS QE 3.191 . 4.464 3.912 3.721 4.386 . 0 0 "[ . 1]" 2
77 1 65 LYS HB2 1 65 LYS QE 2.635 . 3.503 2.981 1.922 3.347 . 0 0 "[ . 1]" 2
78 1 65 LYS HD3 1 65 LYS HE2 2.158 . 2.740 2.293 2.271 2.307 . 0 0 "[ . 1]" 2
79 1 53 GLU QB 1 53 GLU HG3 2.295 . 2.954 2.285 2.154 2.366 . 0 0 "[ . 1]" 2
80 1 53 GLU QB 1 53 GLU HG2 2.335 . 3.017 2.294 2.155 2.354 . 0 0 "[ . 1]" 2
81 1 18 ARG QD 1 81 GLU HG2 3.161 . 4.410 3.993 2.827 4.801 0.391 9 0 "[ . 1]" 2
82 1 80 GLU HA 1 80 GLU QG 2.431 . 3.170 2.621 2.301 2.972 . 0 0 "[ . 1]" 2
83 1 62 ASP HB3 1 64 GLU QG 2.969 . 4.071 2.756 1.971 3.688 . 0 0 "[ . 1]" 2
84 1 16 ILE MD 1 28 VAL HB 2.347 . 3.035 2.828 2.642 2.986 . 0 0 "[ . 1]" 2
85 1 17 VAL HB 1 19 VAL QG 2.237 . 6.000 3.328 2.960 3.659 . 0 0 "[ . 1]" 2
86 1 23 ASN QB 1 25 GLN HG2 2.991 . 4.109 2.648 2.235 3.741 . 0 0 "[ . 1]" 2
87 1 23 ASN QB 1 25 GLN HG3 2.860 . 3.882 3.314 2.359 3.825 . 0 0 "[ . 1]" 2
88 1 25 GLN HG2 1 50 LEU QD 3.090 . 6.000 4.586 4.060 5.152 . 0 0 "[ . 1]" 2
89 1 22 PRO HB3 1 25 GLN QG 2.366 . 6.000 5.909 5.806 6.044 0.044 3 0 "[ . 1]" 2
90 1 13 GLN HB3 1 13 GLN QG 2.049 . 2.574 2.307 2.165 2.396 . 0 0 "[ . 1]" 2
91 1 13 GLN HB2 1 13 GLN QG 2.053 . 2.580 2.289 2.151 2.370 . 0 0 "[ . 1]" 2
92 1 59 ARG QB 1 66 LYS QB 2.760 . 3.712 3.282 1.915 3.545 . 0 0 "[ . 1]" 2
93 1 90 VAL HB 1 90 VAL QG 2.172 . 2.762 1.895 1.892 1.899 . 0 0 "[ . 1]" 2
94 1 43 LYS HA 1 46 MET QB 2.760 . 3.712 2.506 2.404 2.644 . 0 0 "[ . 1]" 2
95 1 45 LEU HB2 1 46 MET QB 2.909 . 3.967 3.673 3.136 4.107 0.140 5 0 "[ . 1]" 2
96 1 86 VAL HB 1 86 VAL QG 1.854 . 2.284 1.891 1.885 1.898 . 0 0 "[ . 1]" 2
97 1 65 LYS HB2 1 65 LYS HD3 2.429 . 3.166 2.175 2.131 2.435 . 0 0 "[ . 1]" 2
98 1 42 LYS HB3 1 42 LYS QG 2.493 . 3.270 2.353 2.339 2.364 . 0 0 "[ . 1]" 2
99 1 42 LYS HB3 1 42 LYS QD 2.341 . 3.026 2.328 2.287 2.411 . 0 0 "[ . 1]" 2
100 1 22 PRO HB2 1 50 LEU QD 2.743 . 3.684 2.474 2.275 2.824 . 0 0 "[ . 1]" 2
101 1 22 PRO HA 1 22 PRO HB2 2.218 . 2.833 2.626 2.532 2.665 . 0 0 "[ . 1]" 2
102 1 47 MET HB2 1 47 MET HG2 1.989 . 2.484 2.229 2.214 2.242 . 0 0 "[ . 1]" 2
103 1 61 GLN HB3 1 61 GLN QG 2.220 . 2.836 2.060 2.029 2.109 . 0 0 "[ . 1]" 2
104 1 32 ARG QB 1 35 VAL MG2 2.663 . 3.549 2.771 2.451 3.043 . 0 0 "[ . 1]" 2
105 1 37 VAL HB 1 37 VAL QG 2.027 . 2.541 1.890 1.880 1.895 . 0 0 "[ . 1]" 2
106 1 43 LYS HA 1 43 LYS QB 2.083 . 2.625 2.367 2.356 2.392 . 0 0 "[ . 1]" 2
107 1 42 LYS HB2 1 42 LYS HG3 2.112 . 2.670 2.005 1.995 2.012 . 0 0 "[ . 1]" 2
108 1 32 ARG QB 1 32 ARG QD 2.881 . 3.918 2.138 2.073 2.328 . 0 0 "[ . 1]" 2
109 1 18 ARG HB2 1 18 ARG HD3 2.548 . 3.360 2.315 2.164 2.409 . 0 0 "[ . 1]" 2
110 1 48 ARG HB3 1 48 ARG QG 2.415 . 3.144 2.422 2.318 2.517 . 0 0 "[ . 1]" 2
111 1 48 ARG HB2 1 48 ARG QG 2.504 . 3.288 2.253 2.124 2.368 . 0 0 "[ . 1]" 2
112 1 42 LYS HA 1 42 LYS QD 2.933 . 4.008 3.982 3.952 4.011 0.003 3 0 "[ . 1]" 2
113 1 40 SER QB 1 74 ILE QG 3.220 . 4.516 3.845 3.679 3.962 . 0 0 "[ . 1]" 2
114 1 74 ILE HA 1 74 ILE QG 2.524 . 3.320 2.777 2.508 2.956 . 0 0 "[ . 1]" 2
115 1 37 VAL HA 1 74 ILE QG 3.080 . 4.266 4.366 4.322 4.424 0.158 10 0 "[ . 1]" 2
116 1 24 LYS HB2 1 24 LYS QG 2.304 . 2.968 2.155 2.140 2.164 . 0 0 "[ . 1]" 2
117 1 43 LYS QD 1 43 LYS HG3 1.951 . 2.427 2.289 2.157 2.335 . 0 0 "[ . 1]" 2
118 1 65 LYS HD3 1 65 LYS QE 2.442 . 3.188 2.324 2.310 2.351 . 0 0 "[ . 1]" 2
119 1 65 LYS HD2 1 65 LYS QE 2.416 . 3.146 2.360 2.299 2.378 . 0 0 "[ . 1]" 2
120 1 24 LYS HB3 1 24 LYS QG 2.292 . 2.949 2.405 2.343 2.467 . 0 0 "[ . 1]" 2
121 1 43 LYS QD 1 43 LYS HE2 1.844 . 2.269 2.127 2.117 2.131 . 0 0 "[ . 1]" 2
122 1 43 LYS QB 1 43 LYS HD2 1.988 . 2.482 2.493 2.358 2.932 0.450 10 0 "[ . 1]" 2
123 1 43 LYS QD 1 43 LYS HG2 1.878 . 2.319 2.194 2.170 2.288 . 0 0 "[ . 1]" 2
124 1 14 LYS HD3 1 14 LYS HG2 1.942 . 2.413 1.994 1.932 2.077 . 0 0 "[ . 1]" 2
125 1 15 PRO HA 1 15 PRO HG2 2.683 . 3.583 2.964 2.778 3.299 . 0 0 "[ . 1]" 2
126 1 18 ARG QD 1 18 ARG HG3 2.295 . 2.953 2.296 2.126 2.394 . 0 0 "[ . 1]" 2
127 1 12 PRO HA 1 12 PRO QG 2.530 . 3.330 3.033 2.819 3.279 . 0 0 "[ . 1]" 2
128 1 12 PRO HD3 1 12 PRO HG2 1.943 . 2.415 1.850 1.832 1.863 . 0 0 "[ . 1]" 2
129 1 30 PRO HB2 1 30 PRO QG 2.163 . 2.748 2.226 2.172 2.254 . 0 0 "[ . 1]" 2
130 1 21 LEU QD 1 21 LEU HG 2.214 . 2.827 1.734 1.644 1.872 . 0 0 "[ . 1]" 2
131 1 74 ILE QG 1 77 LEU QD 2.723 . 6.000 3.472 2.974 4.094 . 0 0 "[ . 1]" 2
132 1 59 ARG HG2 1 68 ILE MD 2.147 . 2.723 1.738 1.649 1.873 . 0 0 "[ . 1]" 2
133 1 60 ILE QG 1 83 HIS HB2 2.915 . 6.000 3.439 2.879 3.808 . 0 0 "[ . 1]" 2
134 1 18 ARG HA 1 26 ARG QG 3.033 . 4.183 4.009 3.610 4.351 0.168 6 0 "[ . 1]" 2
135 1 20 PHE HA 1 26 ARG HG3 2.638 . 3.508 2.804 2.329 3.141 . 0 0 "[ . 1]" 2
136 1 26 ARG HD2 1 26 ARG HG2 2.078 . 2.618 2.072 1.997 2.165 . 0 0 "[ . 1]" 2
137 1 26 ARG HB2 1 26 ARG QG 2.075 . 2.613 2.333 2.211 2.376 . 0 0 "[ . 1]" 2
138 1 68 ILE HB 1 68 ILE QG 2.297 . 2.957 2.374 2.173 2.522 . 0 0 "[ . 1]" 2
139 1 68 ILE MD 1 68 ILE QG 1.989 . 2.484 1.878 1.873 1.883 . 0 0 "[ . 1]" 2
140 1 87 LEU HB2 1 87 LEU QD 1.951 . 2.427 1.779 1.752 1.818 . 0 0 "[ . 1]" 2
141 1 24 LYS HB2 1 24 LYS HG2 2.190 . 2.790 2.042 2.025 2.053 . 0 0 "[ . 1]" 2
142 1 43 LYS QB 1 43 LYS HG3 2.105 . 2.659 2.438 2.315 2.474 . 0 0 "[ . 1]" 2
143 1 43 LYS QB 1 43 LYS HG2 2.137 . 2.708 2.139 2.125 2.145 . 0 0 "[ . 1]" 2
144 1 24 LYS QD 1 24 LYS HG2 1.912 . 2.369 1.920 1.866 2.021 . 0 0 "[ . 1]" 2
145 1 65 LYS QE 1 65 LYS HG3 2.579 . 3.410 3.196 2.279 3.313 . 0 0 "[ . 1]" 2
146 1 65 LYS QE 1 65 LYS HG2 2.245 . 2.875 2.401 2.257 3.231 0.356 9 0 "[ . 1]" 2
147 1 77 LEU QB 1 82 LEU QD 2.269 . 2.913 1.875 1.713 2.176 . 0 0 "[ . 1]" 2
148 1 21 LEU HB2 1 21 LEU QD 1.845 . 2.270 1.762 1.739 1.785 . 0 0 "[ . 1]" 2
149 1 41 LEU QD 1 41 LEU HG 2.096 . 2.645 1.885 1.882 1.889 . 0 0 "[ . 1]" 2
150 1 14 LYS HB2 1 14 LYS HG3 1.919 . 2.380 2.169 2.054 2.307 . 0 0 "[ . 1]" 2
151 1 14 LYS HE2 1 14 LYS HG3 2.222 . 2.839 2.138 2.018 2.214 . 0 0 "[ . 1]" 2
152 1 42 LYS HB2 1 42 LYS HG3 2.184 . 2.780 2.075 2.001 2.128 . 0 0 "[ . 1]" 2
153 1 14 LYS HB3 1 14 LYS HG3 2.243 . 2.872 2.178 2.013 2.280 . 0 0 "[ . 1]" 2
154 1 77 LEU QD 1 80 GLU HB2 2.409 . 6.000 3.705 3.261 3.913 . 0 0 "[ . 1]" 2
155 1 22 PRO HG3 1 50 LEU QD 2.809 . 6.000 2.935 2.432 3.412 . 0 0 "[ . 1]" 2
156 1 36 THR HB 1 36 THR MG 1.854 . 2.283 1.965 1.874 2.017 . 0 0 "[ . 1]" 2
157 1 18 ARG QD 1 28 VAL QG 2.727 . 3.656 2.820 2.400 3.005 . 0 0 "[ . 1]" 2
158 1 17 VAL HB 1 17 VAL QG 2.021 . 2.531 1.877 1.868 1.893 . 0 0 "[ . 1]" 2
159 1 17 VAL QG 1 74 ILE QG 2.260 . 2.898 1.940 1.743 2.143 . 0 0 "[ . 1]" 2
160 1 28 VAL HA 1 28 VAL QG 1.981 . 6.000 2.067 1.885 2.435 . 0 0 "[ . 1]" 2
161 1 32 ARG QD 1 35 VAL MG2 2.579 . 3.410 2.623 2.011 3.504 0.094 8 0 "[ . 1]" 2
162 1 35 VAL HB 1 35 VAL MG2 1.991 . 6.000 1.875 1.870 1.883 . 0 0 "[ . 1]" 2
163 1 32 ARG QD 1 35 VAL MG1 2.909 . 3.967 2.400 1.954 3.524 . 0 0 "[ . 1]" 2
164 1 86 VAL HA 1 86 VAL QG 1.932 . 2.399 2.173 2.111 2.348 . 0 0 "[ . 1]" 2
165 1 21 LEU HA 1 84 VAL MG1 2.718 . 3.642 2.786 2.463 3.215 . 0 0 "[ . 1]" 2
166 1 22 PRO QD 1 84 VAL MG1 3.007 . 4.137 1.929 1.750 2.246 0.127 5 0 "[ . 1]" 2
167 1 19 VAL QG 1 57 VAL HA 2.675 . 6.000 3.662 3.498 3.889 . 0 0 "[ . 1]" 2
168 1 57 VAL MG1 1 68 ILE MD 2.031 . 6.000 1.799 1.639 2.136 . 0 0 "[ . 1]" 2
169 1 16 ILE HB 1 28 VAL QG 2.552 . 6.000 1.743 1.675 1.938 0.063 5 0 "[ . 1]" 2
170 1 74 ILE HB 1 74 ILE MG 1.936 . 6.000 1.996 1.937 2.019 . 0 0 "[ . 1]" 2
171 1 29 VAL MG2 1 30 PRO QD 2.552 . 6.000 2.585 1.949 3.952 . 0 0 "[ . 1]" 2
172 1 29 VAL MG2 1 74 ILE QG 2.605 . 6.000 4.168 2.993 5.007 . 0 0 "[ . 1]" 2
173 1 41 LEU QD 1 44 ALA MB 2.192 . 6.000 2.352 2.081 2.997 . 0 0 "[ . 1]" 2
174 1 30 PRO HD2 1 74 ILE MD 2.217 . 6.000 3.771 3.639 3.835 . 0 0 "[ . 1]" 2
175 1 17 VAL HB 1 74 ILE MD 2.386 . 6.000 3.051 2.571 3.444 . 0 0 "[ . 1]" 2
176 1 74 ILE MD 1 74 ILE QG 1.973 . 2.459 1.888 1.884 1.894 . 0 0 "[ . 1]" 2
177 1 16 ILE MD 1 18 ARG QD 2.737 . 3.673 3.218 2.511 3.493 . 0 0 "[ . 1]" 2
178 1 59 ARG QB 1 68 ILE MD 2.400 . 3.120 1.953 1.595 2.170 0.085 3 0 "[ . 1]" 2
179 1 60 ILE MD 1 65 LYS QE 2.536 . 6.000 2.604 2.259 4.266 . 0 0 "[ . 1]" 2
180 1 30 PRO HA 1 30 PRO QD 2.912 . 3.972 3.373 3.260 3.446 . 0 0 "[ . 1]" 2
181 1 30 PRO HA 1 30 PRO QG 2.848 . 3.862 3.073 2.856 3.499 . 0 0 "[ . 1]" 2
182 1 16 ILE MD 1 28 VAL HA 2.643 . 6.000 3.342 2.830 3.716 . 0 0 "[ . 1]" 2
183 1 29 VAL MG1 1 41 LEU HA 2.557 . 3.374 2.091 1.903 2.531 . 0 0 "[ . 1]" 2
184 1 42 LYS QD 1 42 LYS HE3 2.264 . 2.905 1.966 1.912 1.984 . 0 0 "[ . 1]" 2
185 1 42 LYS QD 1 42 LYS QE 2.062 . 2.593 2.081 2.068 2.089 . 0 0 "[ . 1]" 2
186 1 42 LYS QD 1 42 LYS HG3 2.107 . 2.662 2.436 2.371 2.459 . 0 0 "[ . 1]" 2
187 1 42 LYS HB2 1 42 LYS HD2 2.274 . 2.921 2.724 2.626 2.903 . 0 0 "[ . 1]" 2
188 1 32 ARG QD 1 32 ARG HG3 2.398 . 3.117 2.321 2.152 2.398 . 0 0 "[ . 1]" 2
189 1 32 ARG QD 1 32 ARG HG2 2.373 . 3.077 2.311 2.269 2.332 . 0 0 "[ . 1]" 2
190 1 57 VAL MG2 1 68 ILE MG 2.143 . 6.000 3.280 3.050 3.421 . 0 0 "[ . 1]" 2
191 1 14 LYS HD3 1 14 LYS HG2 2.086 . 2.630 2.164 2.143 2.183 . 0 0 "[ . 1]" 2
192 1 18 ARG H 1 80 GLU H 3.161 . 5.410 4.011 3.880 4.281 . 0 0 "[ . 1]" 2
193 1 72 THR H 1 73 ASP H 3.026 . 5.171 4.080 3.777 4.344 . 0 0 "[ . 1]" 2
194 1 21 LEU H 1 21 LEU HB2 2.423 . 3.157 2.461 2.078 2.607 . 0 0 "[ . 1]" 2
195 1 43 LYS QB 1 44 ALA H 2.316 . 2.986 2.469 2.256 2.594 . 0 0 "[ . 1]" 2
196 1 85 GLU HB2 1 86 VAL H 2.324 . 2.999 2.642 2.454 2.886 . 0 0 "[ . 1]" 2
197 1 68 ILE H 1 68 ILE MD 2.829 . 3.829 3.044 2.844 3.134 . 0 0 "[ . 1]" 2
198 1 33 CYS H 1 33 CYS QB 2.752 . 3.699 2.447 2.262 2.718 . 0 0 "[ . 1]" 2
199 1 26 ARG H 1 26 ARG QG 2.954 . 4.045 4.088 3.856 4.164 0.119 8 0 "[ . 1]" 2
200 1 16 ILE MD 1 17 VAL H 2.487 . 3.260 3.023 2.821 3.140 . 0 0 "[ . 1]" 2
201 1 15 PRO QB 1 16 ILE H 2.961 . 4.057 2.751 2.540 2.969 . 0 0 "[ . 1]" 2
202 1 16 ILE H 1 16 ILE MD 2.662 . 3.548 2.302 2.220 2.380 . 0 0 "[ . 1]" 2
203 1 80 GLU H 1 80 GLU HB2 2.174 . 2.765 2.300 2.205 2.447 . 0 0 "[ . 1]" 2
204 1 37 VAL QG 1 38 ARG H 2.756 . 3.706 2.976 2.274 3.305 . 0 0 "[ . 1]" 2
205 1 24 LYS QB 1 25 GLN H 3.298 . 4.658 3.866 3.792 3.892 . 0 0 "[ . 1]" 2
206 1 48 ARG H 1 48 ARG QG 2.621 . 3.480 2.966 2.786 3.188 . 0 0 "[ . 1]" 2
207 1 36 THR H 1 40 SER H 3.145 . 4.381 3.967 3.781 4.116 . 0 0 "[ . 1]" 2
208 1 50 LEU HA 1 51 ILE H 2.286 . 2.939 2.317 2.205 2.374 . 0 0 "[ . 1]" 2
209 1 33 CYS QB 1 34 GLY H 3.187 . 4.457 3.655 3.373 3.899 . 0 0 "[ . 1]" 2
210 1 44 ALA MB 1 45 LEU H 2.378 . 3.085 2.207 2.122 2.297 . 0 0 "[ . 1]" 2
211 1 77 LEU QB 1 78 THR H 3.188 . 4.459 3.691 3.630 3.795 . 0 0 "[ . 1]" 2
212 1 23 ASN QB 1 23 ASN HD21 3.072 . 4.252 2.363 2.151 2.780 . 0 0 "[ . 1]" 2
213 1 68 ILE QG 1 69 GLY H 3.142 . 4.376 4.071 3.836 4.494 0.118 10 0 "[ . 1]" 2
214 1 45 LEU QD 1 46 MET H 3.043 . 4.201 3.796 3.653 3.919 . 0 0 "[ . 1]" 2
215 1 77 LEU QB 1 80 GLU H 3.400 . 4.845 3.947 3.761 4.103 . 0 0 "[ . 1]" 2
216 1 23 ASN QB 1 25 GLN H 3.396 . 4.838 3.919 3.575 4.269 . 0 0 "[ . 1]" 2
217 1 24 LYS QG 1 25 GLN H 3.382 . 4.812 4.683 4.591 4.808 . 0 0 "[ . 1]" 2
218 1 47 MET QG 1 48 ARG H 3.456 . 4.949 4.259 4.153 4.353 . 0 0 "[ . 1]" 2
219 1 23 ASN QB 1 23 ASN HD22 3.333 . 4.721 3.320 3.203 3.478 . 0 0 "[ . 1]" 2
220 1 23 ASN QB 1 24 LYS H 3.396 . 4.837 3.778 3.634 3.897 . 0 0 "[ . 1]" 2
221 1 48 ARG QG 1 49 GLY H 3.512 . 5.054 4.474 4.388 4.520 . 0 0 "[ . 1]" 2
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