NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
579573 |
2mm0   |
19840 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mm0
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 843
_Distance_constraint_stats_list.Viol_count 1295
_Distance_constraint_stats_list.Viol_total 985.645
_Distance_constraint_stats_list.Viol_max 0.257
_Distance_constraint_stats_list.Viol_rms 0.0148
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0381
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ASN 0.107 0.024 12 0 "[ . 1 . 2]"
1 2 CYS 0.414 0.047 13 0 "[ . 1 . 2]"
1 3 VAL 1.413 0.079 14 0 "[ . 1 . 2]"
1 4 ALA 3.618 0.203 16 0 "[ . 1 . 2]"
1 5 ASN 1.453 0.079 20 0 "[ . 1 . 2]"
1 6 ILE 11.926 0.182 1 0 "[ . 1 . 2]"
1 7 LEU 8.449 0.182 1 0 "[ . 1 . 2]"
1 8 ASN 1.724 0.113 16 0 "[ . 1 . 2]"
1 9 ILE 0.074 0.038 2 0 "[ . 1 . 2]"
1 10 ASN 0.567 0.060 19 0 "[ . 1 . 2]"
1 11 GLU 2.237 0.122 19 0 "[ . 1 . 2]"
1 12 ALA 0.897 0.084 11 0 "[ . 1 . 2]"
1 13 VAL 2.745 0.154 14 0 "[ . 1 . 2]"
1 14 ILE 2.439 0.084 11 0 "[ . 1 . 2]"
1 15 ALA 1.657 0.103 8 0 "[ . 1 . 2]"
1 16 THR 1.195 0.055 14 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.242 0.035 12 0 "[ . 1 . 2]"
1 19 VAL 0.378 0.047 13 0 "[ . 1 . 2]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.281 0.024 12 0 "[ . 1 . 2]"
1 22 GLY 0.060 0.019 10 0 "[ . 1 . 2]"
1 23 GLY 0.021 0.019 7 0 "[ . 1 . 2]"
1 24 GLU 0.021 0.019 7 0 "[ . 1 . 2]"
1 25 LEU 1.545 0.165 15 0 "[ . 1 . 2]"
1 26 ARG 0.980 0.257 6 0 "[ . 1 . 2]"
1 27 ILE 3.450 0.203 16 0 "[ . 1 . 2]"
1 28 PHE 3.940 0.155 9 0 "[ . 1 . 2]"
1 29 VAL 4.298 0.243 18 0 "[ . 1 . 2]"
1 30 GLY 0.161 0.043 14 0 "[ . 1 . 2]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 HIS 0.091 0.032 19 0 "[ . 1 . 2]"
1 34 SER 1.233 0.087 14 0 "[ . 1 . 2]"
1 35 TYR 1.239 0.050 20 0 "[ . 1 . 2]"
1 36 LEU 1.724 0.212 15 0 "[ . 1 . 2]"
1 37 ILE 4.679 0.191 15 0 "[ . 1 . 2]"
1 38 LYS 1.736 0.083 19 0 "[ . 1 . 2]"
1 39 ALA 1.326 0.088 2 0 "[ . 1 . 2]"
1 40 THR 1.828 0.149 14 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 1.631 0.149 14 0 "[ . 1 . 2]"
1 44 GLY 0.367 0.079 7 0 "[ . 1 . 2]"
1 45 LEU 1.469 0.095 1 0 "[ . 1 . 2]"
1 46 SER 1.968 0.095 1 0 "[ . 1 . 2]"
1 47 LEU 0.619 0.063 2 0 "[ . 1 . 2]"
1 48 THR 1.192 0.113 11 0 "[ . 1 . 2]"
1 49 ASN 0.447 0.113 11 0 "[ . 1 . 2]"
1 50 GLN 0.396 0.065 10 0 "[ . 1 . 2]"
1 51 VAL 0.583 0.052 1 0 "[ . 1 . 2]"
1 52 PHE 2.126 0.142 11 0 "[ . 1 . 2]"
1 53 ILE 2.261 0.142 11 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.819 0.099 20 0 "[ . 1 . 2]"
1 56 GLU 1.519 0.084 6 0 "[ . 1 . 2]"
1 57 SER 0.356 0.046 5 0 "[ . 1 . 2]"
1 58 VAL 0.690 0.123 20 0 "[ . 1 . 2]"
1 59 GLN 1.186 0.123 20 0 "[ . 1 . 2]"
1 60 SER 0.320 0.045 18 0 "[ . 1 . 2]"
1 61 GLY 0.349 0.038 8 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.137 0.027 16 0 "[ . 1 . 2]"
1 64 CYS 0.337 0.047 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL HA 1 3 VAL MG1 . . 3.660 2.415 2.381 2.427 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL HA 1 3 VAL MG2 . . 3.660 2.343 2.303 2.393 . 0 0 "[ . 1 . 2]" 1
3 1 6 ILE HA 1 6 ILE MD . . 3.720 2.241 2.184 2.334 . 0 0 "[ . 1 . 2]" 1
4 1 6 ILE MD 1 6 ILE MG . . 3.630 1.926 1.857 1.973 . 0 0 "[ . 1 . 2]" 1
5 1 14 ILE HA 1 14 ILE MG . . 3.450 2.123 2.089 2.204 . 0 0 "[ . 1 . 2]" 1
6 1 14 ILE MD 1 14 ILE MG . . 3.410 2.095 1.921 2.129 . 0 0 "[ . 1 . 2]" 1
7 1 19 VAL HA 1 20 PRO HD2 . . 3.570 2.103 2.070 2.112 . 0 0 "[ . 1 . 2]" 1
8 1 19 VAL HA 1 20 PRO HD3 . . 3.570 2.260 2.257 2.269 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA MB 1 37 ILE HG12 . . 4.410 3.491 3.287 3.715 . 0 0 "[ . 1 . 2]" 1
10 1 26 ARG HA 1 26 ARG HD2 . . 5.500 4.028 3.211 5.108 . 0 0 "[ . 1 . 2]" 1
11 1 26 ARG HA 1 26 ARG HD3 . . 5.500 4.387 3.741 4.832 . 0 0 "[ . 1 . 2]" 1
12 1 27 ILE HA 1 27 ILE MD . . 4.250 3.839 3.781 3.881 . 0 0 "[ . 1 . 2]" 1
13 1 35 TYR HA 1 35 TYR QD . . 4.450 2.271 2.186 3.064 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA MB 1 37 ILE HG13 . . 4.130 2.225 2.061 2.448 . 0 0 "[ . 1 . 2]" 1
15 1 37 ILE MD 1 37 ILE MG . . 3.820 2.015 1.931 2.123 . 0 0 "[ . 1 . 2]" 1
16 1 37 ILE HA 1 37 ILE MD . . 3.710 2.129 2.036 2.218 . 0 0 "[ . 1 . 2]" 1
17 1 38 LYS HA 1 38 LYS HD2 . . 5.500 4.746 4.316 5.480 . 0 0 "[ . 1 . 2]" 1
18 1 38 LYS HA 1 38 LYS HD3 . . 5.500 4.554 3.796 5.510 0.010 14 0 "[ . 1 . 2]" 1
19 1 40 THR HA 1 40 THR MG . . 3.610 2.577 2.068 3.201 . 0 0 "[ . 1 . 2]" 1
20 1 47 LEU HA 1 47 LEU MD1 . . 3.960 2.355 2.004 2.739 . 0 0 "[ . 1 . 2]" 1
21 1 47 LEU HA 1 47 LEU MD2 . . 3.960 3.480 2.442 3.797 . 0 0 "[ . 1 . 2]" 1
22 1 53 ILE HA 1 53 ILE MG . . 3.620 2.159 2.034 2.313 . 0 0 "[ . 1 . 2]" 1
23 1 53 ILE MD 1 53 ILE MG . . 3.850 2.760 2.590 3.011 . 0 0 "[ . 1 . 2]" 1
24 1 2 CYS HB2 1 19 VAL HB . . 4.300 3.401 2.871 4.347 0.047 13 0 "[ . 1 . 2]" 1
25 1 2 CYS HB2 1 39 ALA MB . . 4.690 2.662 2.239 2.982 . 0 0 "[ . 1 . 2]" 1
26 1 2 CYS HA 1 3 VAL HB . . 5.500 4.642 4.575 4.750 . 0 0 "[ . 1 . 2]" 1
27 1 3 VAL HA 1 4 ALA MB . . 5.150 3.919 3.879 3.949 . 0 0 "[ . 1 . 2]" 1
28 1 3 VAL HB 1 61 GLY HA2 . . 5.500 3.971 3.713 4.432 . 0 0 "[ . 1 . 2]" 1
29 1 5 ASN HA 1 13 VAL MG2 . . 5.210 4.771 4.556 4.928 . 0 0 "[ . 1 . 2]" 1
30 1 5 ASN HA 1 13 VAL MG1 . . 5.210 4.324 4.174 4.409 . 0 0 "[ . 1 . 2]" 1
31 1 5 ASN HB2 1 13 VAL MG2 . . 4.680 3.813 3.543 3.972 . 0 0 "[ . 1 . 2]" 1
32 1 5 ASN HB2 1 7 LEU MD2 . . 5.500 4.730 4.543 4.892 . 0 0 "[ . 1 . 2]" 1
33 1 3 VAL MG1 1 18 CYS HA . . 5.500 3.156 2.964 3.420 . 0 0 "[ . 1 . 2]" 1
34 1 5 ASN HA 1 16 THR HA . . 3.790 2.258 1.996 2.511 . 0 0 "[ . 1 . 2]" 1
35 1 5 ASN HA 1 16 THR HB . . 4.900 4.353 3.815 4.851 . 0 0 "[ . 1 . 2]" 1
36 1 5 ASN HB3 1 59 GLN HB2 . . 5.500 3.727 3.286 5.441 . 0 0 "[ . 1 . 2]" 1
37 1 5 ASN HB3 1 13 VAL MG1 . . 4.680 3.278 3.012 3.428 . 0 0 "[ . 1 . 2]" 1
38 1 5 ASN HB3 1 7 LEU MD1 . . 5.500 4.436 4.179 4.809 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE HA 1 58 VAL HB . . 5.400 4.819 4.276 5.408 0.008 9 0 "[ . 1 . 2]" 1
40 1 6 ILE HA 1 7 LEU HG . . 5.500 3.575 3.489 3.660 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE HA 1 58 VAL MG1 . . 5.500 3.689 3.418 5.180 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE HB 1 14 ILE MD . . 5.500 3.766 3.658 3.917 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE HB 1 29 VAL MG2 . . 5.500 3.024 2.030 4.989 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MG 1 56 GLU HG3 . . 5.500 4.445 4.217 4.602 . 0 0 "[ . 1 . 2]" 1
45 1 6 ILE MD 1 15 ALA MB . . 5.310 3.676 3.513 3.737 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE MD 1 37 ILE HG13 . . 5.260 2.683 2.296 2.891 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE MD 1 35 TYR HB2 . . 5.370 2.495 2.108 2.653 . 0 0 "[ . 1 . 2]" 1
48 1 7 LEU HA 1 14 ILE MG . . 5.170 3.509 3.401 3.586 . 0 0 "[ . 1 . 2]" 1
49 1 7 LEU HA 1 13 VAL MG2 . . 5.500 4.114 4.042 4.250 . 0 0 "[ . 1 . 2]" 1
50 1 7 LEU HA 1 13 VAL MG1 . . 5.500 4.440 4.314 4.608 . 0 0 "[ . 1 . 2]" 1
51 1 7 LEU MD1 1 59 GLN HB2 . . 5.500 2.165 1.961 3.473 . 0 0 "[ . 1 . 2]" 1
52 1 7 LEU MD1 1 11 GLU HG2 . . 5.500 4.210 4.125 4.350 . 0 0 "[ . 1 . 2]" 1
53 1 7 LEU MD2 1 11 GLU HG3 . . 5.500 5.529 5.488 5.622 0.122 19 0 "[ . 1 . 2]" 1
54 1 5 ASN HB3 1 7 LEU MD2 . . 5.500 4.033 3.881 4.184 . 0 0 "[ . 1 . 2]" 1
55 1 8 ASN HA 1 56 GLU HG3 . . 4.370 4.284 3.748 4.401 0.031 5 0 "[ . 1 . 2]" 1
56 1 6 ILE MG 1 56 GLU HA . . 5.500 3.848 3.640 4.291 . 0 0 "[ . 1 . 2]" 1
57 1 7 LEU HA 1 13 VAL HA . . 3.740 2.542 2.412 2.716 . 0 0 "[ . 1 . 2]" 1
58 1 7 LEU HG 1 11 GLU HA . . 5.500 4.837 4.765 4.982 . 0 0 "[ . 1 . 2]" 1
59 1 7 LEU MD2 1 11 GLU HA . . 4.570 3.149 3.066 3.290 . 0 0 "[ . 1 . 2]" 1
60 1 8 ASN HB2 1 14 ILE MG . . 4.340 3.557 3.235 3.852 . 0 0 "[ . 1 . 2]" 1
61 1 8 ASN HB2 1 14 ILE MD . . 4.400 3.212 2.832 3.504 . 0 0 "[ . 1 . 2]" 1
62 1 8 ASN HB3 1 14 ILE MG . . 4.340 2.128 1.908 2.425 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASN HB3 1 14 ILE MD . . 4.400 1.976 1.937 2.115 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE MD 1 55 GLY HA2 . . 4.390 3.790 2.766 4.428 0.038 2 0 "[ . 1 . 2]" 1
65 1 10 ASN HB3 1 12 ALA MB . . 5.500 2.889 2.370 3.573 . 0 0 "[ . 1 . 2]" 1
66 1 9 ILE MG 1 10 ASN HB3 . . 5.500 4.536 3.991 5.366 . 0 0 "[ . 1 . 2]" 1
67 1 10 ASN HB2 1 12 ALA MB . . 5.500 3.328 2.635 4.053 . 0 0 "[ . 1 . 2]" 1
68 1 7 LEU MD1 1 11 GLU HA . . 4.570 3.379 3.240 3.524 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MD 1 55 GLY HA3 . . 4.390 2.551 1.876 3.149 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE MG 1 10 ASN HA . . 5.120 3.532 3.340 3.704 . 0 0 "[ . 1 . 2]" 1
71 1 7 LEU HA 1 11 GLU HA . . 5.500 4.520 4.397 4.601 . 0 0 "[ . 1 . 2]" 1
72 1 12 ALA HA 1 13 VAL HB . . 5.500 4.492 4.465 4.532 . 0 0 "[ . 1 . 2]" 1
73 1 7 LEU MD1 1 11 GLU HG3 . . 5.500 5.515 5.456 5.559 0.059 19 0 "[ . 1 . 2]" 1
74 1 7 LEU MD2 1 11 GLU HG2 . . 5.500 4.694 4.634 4.824 . 0 0 "[ . 1 . 2]" 1
75 1 12 ALA MB 1 14 ILE MG . . 4.700 3.025 2.956 3.108 . 0 0 "[ . 1 . 2]" 1
76 1 7 LEU MD1 1 13 VAL HA . . 5.270 4.525 4.401 4.617 . 0 0 "[ . 1 . 2]" 1
77 1 7 LEU MD2 1 13 VAL HA . . 5.270 2.430 2.313 2.744 . 0 0 "[ . 1 . 2]" 1
78 1 5 ASN HB2 1 13 VAL MG1 . . 4.680 4.620 4.307 4.720 0.040 13 0 "[ . 1 . 2]" 1
79 1 5 ASN HB3 1 13 VAL MG2 . . 4.680 2.635 2.415 2.723 . 0 0 "[ . 1 . 2]" 1
80 1 14 ILE HA 1 15 ALA MB . . 5.500 4.650 4.602 4.689 . 0 0 "[ . 1 . 2]" 1
81 1 8 ASN HA 1 14 ILE MG . . 5.230 3.828 3.668 4.128 . 0 0 "[ . 1 . 2]" 1
82 1 13 VAL HA 1 14 ILE MG . . 5.500 4.224 4.169 4.270 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU HA 1 14 ILE HG12 . . 5.500 2.327 2.237 2.392 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU HA 1 14 ILE HG13 . . 5.500 3.849 3.733 3.927 . 0 0 "[ . 1 . 2]" 1
85 1 8 ASN HA 1 14 ILE MD . . 4.340 2.320 2.165 2.593 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU HA 1 14 ILE MD . . 5.500 3.512 3.337 3.582 . 0 0 "[ . 1 . 2]" 1
87 1 14 ILE MD 1 56 GLU HG3 . . 4.760 4.013 3.898 4.303 . 0 0 "[ . 1 . 2]" 1
88 1 14 ILE MD 1 29 VAL HB . . 5.500 3.795 2.260 4.433 . 0 0 "[ . 1 . 2]" 1
89 1 6 ILE HB 1 15 ALA HA . . 5.500 4.261 4.191 4.292 . 0 0 "[ . 1 . 2]" 1
90 1 15 ALA HA 1 16 THR MG . . 4.780 3.752 3.485 3.917 . 0 0 "[ . 1 . 2]" 1
91 1 15 ALA HA 1 27 ILE MG . . 5.130 3.540 3.349 3.715 . 0 0 "[ . 1 . 2]" 1
92 1 6 ILE HB 1 15 ALA MB . . 3.810 1.872 1.825 1.890 . 0 0 "[ . 1 . 2]" 1
93 1 6 ILE HG12 1 15 ALA MB . . 3.590 2.702 2.497 2.894 . 0 0 "[ . 1 . 2]" 1
94 1 6 ILE HG13 1 15 ALA MB . . 4.960 2.395 2.200 2.498 . 0 0 "[ . 1 . 2]" 1
95 1 6 ILE MG 1 15 ALA MB . . 4.590 3.042 2.982 3.083 . 0 0 "[ . 1 . 2]" 1
96 1 15 ALA MB 1 29 VAL MG2 . . 4.930 2.474 1.791 3.936 . 0 0 "[ . 1 . 2]" 1
97 1 15 ALA MB 1 16 THR HA . . 5.500 3.872 3.832 3.900 . 0 0 "[ . 1 . 2]" 1
98 1 6 ILE HG12 1 16 THR HA . . 5.500 4.599 4.219 5.004 . 0 0 "[ . 1 . 2]" 1
99 1 13 VAL MG1 1 16 THR HA . . 5.500 4.217 4.055 4.394 . 0 0 "[ . 1 . 2]" 1
100 1 13 VAL MG2 1 16 THR HA . . 5.500 5.486 5.397 5.555 0.055 14 0 "[ . 1 . 2]" 1
101 1 16 THR HA 1 27 ILE MG . . 4.440 3.195 3.012 3.484 . 0 0 "[ . 1 . 2]" 1
102 1 19 VAL HA 1 25 LEU HB3 . . 4.480 3.726 2.759 3.993 . 0 0 "[ . 1 . 2]" 1
103 1 19 VAL HA 1 20 PRO HG2 . . 5.500 4.276 4.250 4.282 . 0 0 "[ . 1 . 2]" 1
104 1 19 VAL HA 1 20 PRO HG3 . . 5.500 4.333 4.325 4.336 . 0 0 "[ . 1 . 2]" 1
105 1 4 ALA MB 1 19 VAL HB . . 5.500 3.379 3.131 3.600 . 0 0 "[ . 1 . 2]" 1
106 1 4 ALA MB 1 17 GLY HA3 . . 5.270 3.614 3.377 3.864 . 0 0 "[ . 1 . 2]" 1
107 1 4 ALA MB 1 17 GLY HA2 . . 5.270 4.852 4.693 5.023 . 0 0 "[ . 1 . 2]" 1
108 1 5 ASN HA 1 16 THR MG . . 5.500 3.762 3.128 4.923 . 0 0 "[ . 1 . 2]" 1
109 1 3 VAL HA 1 18 CYS HA . . 3.880 2.342 2.184 2.529 . 0 0 "[ . 1 . 2]" 1
110 1 2 CYS HB3 1 19 VAL HB . . 4.300 3.972 2.698 4.341 0.041 18 0 "[ . 1 . 2]" 1
111 1 16 THR HA 1 17 GLY HA2 . . 5.500 4.502 4.414 4.534 . 0 0 "[ . 1 . 2]" 1
112 1 16 THR HA 1 17 GLY HA3 . . 5.500 4.312 4.302 4.360 . 0 0 "[ . 1 . 2]" 1
113 1 1 ASN HB2 1 20 PRO HA . . 4.940 4.110 3.492 4.898 . 0 0 "[ . 1 . 2]" 1
114 1 20 PRO HA 1 21 ALA MB . . 4.960 4.095 4.028 4.150 . 0 0 "[ . 1 . 2]" 1
115 1 22 GLY HA2 1 39 ALA MB . . 5.500 4.190 3.795 4.556 . 0 0 "[ . 1 . 2]" 1
116 1 24 GLU HA 1 39 ALA MB . . 4.700 4.135 3.762 4.392 . 0 0 "[ . 1 . 2]" 1
117 1 23 GLY HA2 1 24 GLU HA . . 5.500 4.630 4.528 4.740 . 0 0 "[ . 1 . 2]" 1
118 1 23 GLY HA3 1 24 GLU HA . . 5.500 4.328 4.312 4.348 . 0 0 "[ . 1 . 2]" 1
119 1 24 GLU HA 1 38 LYS HA . . 3.370 2.158 2.006 2.304 . 0 0 "[ . 1 . 2]" 1
120 1 1 ASN HA 1 21 ALA MB . . 4.050 2.965 2.740 3.340 . 0 0 "[ . 1 . 2]" 1
121 1 25 LEU HA 1 36 LEU MD1 . . 5.140 3.081 2.852 4.870 . 0 0 "[ . 1 . 2]" 1
122 1 25 LEU HA 1 36 LEU MD2 . . 5.140 4.989 2.940 5.158 0.018 18 0 "[ . 1 . 2]" 1
123 1 20 PRO HD3 1 25 LEU HB3 . . 5.500 4.897 4.121 5.220 . 0 0 "[ . 1 . 2]" 1
124 1 20 PRO HD3 1 25 LEU HB2 . . 5.500 3.373 2.463 3.702 . 0 0 "[ . 1 . 2]" 1
125 1 6 ILE MD 1 37 ILE HG12 . . 4.860 3.233 3.020 3.382 . 0 0 "[ . 1 . 2]" 1
126 1 26 ARG HA 1 36 LEU HA . . 3.430 1.989 1.978 2.012 . 0 0 "[ . 1 . 2]" 1
127 1 20 PRO HD2 1 25 LEU HB3 . . 5.500 4.664 3.844 5.049 . 0 0 "[ . 1 . 2]" 1
128 1 19 VAL HA 1 25 LEU HB2 . . 4.480 2.451 1.997 2.641 . 0 0 "[ . 1 . 2]" 1
129 1 20 PRO HD2 1 25 LEU HB2 . . 5.500 2.973 2.504 3.306 . 0 0 "[ . 1 . 2]" 1
130 1 4 ALA MB 1 27 ILE HA . . 5.500 5.611 5.537 5.703 0.203 16 0 "[ . 1 . 2]" 1
131 1 15 ALA MB 1 27 ILE MG . . 3.470 1.869 1.743 2.088 . 0 0 "[ . 1 . 2]" 1
132 1 6 ILE HG13 1 27 ILE MG . . 5.090 2.975 2.447 3.349 . 0 0 "[ . 1 . 2]" 1
133 1 4 ALA MB 1 27 ILE MG . . 5.500 4.220 4.096 4.418 . 0 0 "[ . 1 . 2]" 1
134 1 6 ILE HB 1 27 ILE MG . . 5.500 3.755 3.316 4.137 . 0 0 "[ . 1 . 2]" 1
135 1 15 ALA MB 1 27 ILE MD . . 4.570 3.305 3.201 3.470 . 0 0 "[ . 1 . 2]" 1
136 1 25 LEU HB3 1 27 ILE MD . . 5.500 4.451 4.103 4.736 . 0 0 "[ . 1 . 2]" 1
137 1 17 GLY HA2 1 27 ILE MD . . 4.360 3.845 3.411 4.093 . 0 0 "[ . 1 . 2]" 1
138 1 4 ALA MB 1 27 ILE MD . . 3.790 1.775 1.703 1.862 . 0 0 "[ . 1 . 2]" 1
139 1 27 ILE MD 1 37 ILE HG13 . . 4.870 2.144 1.973 2.500 . 0 0 "[ . 1 . 2]" 1
140 1 28 PHE HA 1 34 SER HB2 . . 4.370 3.658 3.137 4.192 . 0 0 "[ . 1 . 2]" 1
141 1 26 ARG HG2 1 28 PHE HA . . 5.500 4.784 4.439 5.323 . 0 0 "[ . 1 . 2]" 1
142 1 27 ILE MG 1 28 PHE HA . . 5.500 3.865 3.694 3.992 . 0 0 "[ . 1 . 2]" 1
143 1 26 ARG HG3 1 28 PHE HA . . 5.500 5.365 4.813 5.551 0.051 7 0 "[ . 1 . 2]" 1
144 1 17 GLY HA3 1 27 ILE MD . . 4.360 2.515 2.125 2.817 . 0 0 "[ . 1 . 2]" 1
145 1 16 THR HA 1 27 ILE MD . . 5.500 3.090 2.912 3.279 . 0 0 "[ . 1 . 2]" 1
146 1 26 ARG HA 1 27 ILE HB . . 5.500 4.664 4.584 4.777 . 0 0 "[ . 1 . 2]" 1
147 1 26 ARG HA 1 27 ILE HA . . 5.500 4.393 4.385 4.407 . 0 0 "[ . 1 . 2]" 1
148 1 28 PHE HA 1 34 SER HA . . 3.610 2.531 2.184 2.791 . 0 0 "[ . 1 . 2]" 1
149 1 15 ALA MB 1 29 VAL HA . . 3.870 2.291 1.890 2.577 . 0 0 "[ . 1 . 2]" 1
150 1 6 ILE MG 1 29 VAL MG1 . . 4.890 2.391 1.797 2.967 . 0 0 "[ . 1 . 2]" 1
151 1 15 ALA MB 1 29 VAL MG1 . . 4.930 2.745 1.777 3.346 . 0 0 "[ . 1 . 2]" 1
152 1 6 ILE HB 1 29 VAL MG1 . . 5.500 3.370 2.050 4.085 . 0 0 "[ . 1 . 2]" 1
153 1 6 ILE MG 1 29 VAL MG2 . . 4.890 2.341 1.804 3.747 . 0 0 "[ . 1 . 2]" 1
154 1 28 PHE HA 1 29 VAL MG1 . . 5.500 4.513 3.514 5.498 . 0 0 "[ . 1 . 2]" 1
155 1 15 ALA HA 1 29 VAL HA . . 5.330 3.943 3.264 4.138 . 0 0 "[ . 1 . 2]" 1
156 1 28 PHE HA 1 29 VAL MG2 . . 5.500 4.344 3.576 5.487 . 0 0 "[ . 1 . 2]" 1
157 1 6 ILE MD 1 34 SER HA . . 5.500 5.541 5.493 5.587 0.087 14 0 "[ . 1 . 2]" 1
158 1 29 VAL HB 1 34 SER HA . . 5.440 4.082 3.039 5.487 0.047 16 0 "[ . 1 . 2]" 1
159 1 26 ARG HG3 1 34 SER HB2 . . 5.080 2.385 1.997 2.645 . 0 0 "[ . 1 . 2]" 1
160 1 26 ARG HG3 1 34 SER HB3 . . 5.080 3.724 2.906 4.276 . 0 0 "[ . 1 . 2]" 1
161 1 26 ARG HG2 1 34 SER HB3 . . 5.080 3.099 2.394 3.525 . 0 0 "[ . 1 . 2]" 1
162 1 35 TYR HA 1 36 LEU HB2 . . 5.500 4.514 4.452 4.574 . 0 0 "[ . 1 . 2]" 1
163 1 35 TYR HA 1 36 LEU HB3 . . 5.500 4.578 4.523 4.658 . 0 0 "[ . 1 . 2]" 1
164 1 35 TYR HA 1 47 LEU MD1 . . 5.500 4.221 3.636 4.732 . 0 0 "[ . 1 . 2]" 1
165 1 6 ILE HG12 1 35 TYR HB2 . . 5.500 4.854 4.326 4.977 . 0 0 "[ . 1 . 2]" 1
166 1 35 TYR HB2 1 37 ILE HG13 . . 5.500 5.444 5.035 5.532 0.032 18 0 "[ . 1 . 2]" 1
167 1 6 ILE HG12 1 35 TYR HB3 . . 5.500 5.477 4.954 5.546 0.046 18 0 "[ . 1 . 2]" 1
168 1 35 TYR HB3 1 37 ILE HG12 . . 5.500 3.975 3.814 4.370 . 0 0 "[ . 1 . 2]" 1
169 1 35 TYR HB3 1 37 ILE HG13 . . 5.500 4.911 4.692 5.286 . 0 0 "[ . 1 . 2]" 1
170 1 6 ILE MD 1 35 TYR HB3 . . 5.370 2.819 2.408 2.973 . 0 0 "[ . 1 . 2]" 1
171 1 33 HIS HB2 1 53 ILE MD . . 5.500 5.171 4.511 5.514 0.014 18 0 "[ . 1 . 2]" 1
172 1 28 PHE HA 1 34 SER HB3 . . 4.370 2.173 1.980 2.509 . 0 0 "[ . 1 . 2]" 1
173 1 26 ARG HG3 1 36 LEU HA . . 5.500 3.396 2.963 4.390 . 0 0 "[ . 1 . 2]" 1
174 1 26 ARG HG2 1 36 LEU HA . . 5.500 4.754 3.841 5.102 . 0 0 "[ . 1 . 2]" 1
175 1 36 LEU HA 1 37 ILE HB . . 5.500 4.739 4.711 4.775 . 0 0 "[ . 1 . 2]" 1
176 1 27 ILE MD 1 37 ILE HB . . 5.130 3.391 3.047 3.629 . 0 0 "[ . 1 . 2]" 1
177 1 4 ALA MB 1 37 ILE HB . . 5.500 2.490 2.310 2.681 . 0 0 "[ . 1 . 2]" 1
178 1 4 ALA MB 1 37 ILE MG . . 4.090 2.145 1.948 2.467 . 0 0 "[ . 1 . 2]" 1
179 1 37 ILE MD 1 58 VAL HB . . 5.050 3.097 2.299 3.685 . 0 0 "[ . 1 . 2]" 1
180 1 6 ILE HG12 1 37 ILE MD . . 5.460 3.817 3.586 4.047 . 0 0 "[ . 1 . 2]" 1
181 1 37 ILE MD 1 58 VAL MG1 . . 4.550 1.968 1.749 3.255 . 0 0 "[ . 1 . 2]" 1
182 1 35 TYR HB2 1 37 ILE MD . . 5.130 3.623 3.253 3.751 . 0 0 "[ . 1 . 2]" 1
183 1 35 TYR HB2 1 37 ILE HG12 . . 5.500 4.712 4.324 4.931 . 0 0 "[ . 1 . 2]" 1
184 1 4 ALA HA 1 37 ILE MG . . 5.500 3.436 3.105 3.726 . 0 0 "[ . 1 . 2]" 1
185 1 37 ILE MG 1 38 LYS HA . . 5.500 4.102 4.003 4.217 . 0 0 "[ . 1 . 2]" 1
186 1 36 LEU MD1 1 48 THR HB . . 5.500 4.456 2.409 5.147 . 0 0 "[ . 1 . 2]" 1
187 1 36 LEU HG 1 48 THR HB . . 4.750 3.422 2.442 4.235 . 0 0 "[ . 1 . 2]" 1
188 1 35 TYR HB3 1 37 ILE MD . . 5.130 2.606 2.369 2.778 . 0 0 "[ . 1 . 2]" 1
189 1 36 LEU MD2 1 48 THR HB . . 5.500 2.408 1.916 4.527 . 0 0 "[ . 1 . 2]" 1
190 1 38 LYS HB2 1 48 THR MG . . 5.500 4.258 3.055 5.505 0.005 10 0 "[ . 1 . 2]" 1
191 1 19 VAL HB 1 39 ALA MB . . 4.650 2.650 2.207 2.891 . 0 0 "[ . 1 . 2]" 1
192 1 2 CYS HB3 1 39 ALA MB . . 4.690 3.308 2.075 3.900 . 0 0 "[ . 1 . 2]" 1
193 1 21 ALA HA 1 39 ALA MB . . 3.620 3.463 3.258 3.622 0.002 13 0 "[ . 1 . 2]" 1
194 1 39 ALA MB 1 43 CYS HA . . 3.930 2.717 2.299 2.978 . 0 0 "[ . 1 . 2]" 1
195 1 22 GLY HA2 1 40 THR HA . . 5.080 3.245 2.690 3.547 . 0 0 "[ . 1 . 2]" 1
196 1 22 GLY HA3 1 40 THR HA . . 5.080 4.871 4.351 5.094 0.014 10 0 "[ . 1 . 2]" 1
197 1 39 ALA HA 1 45 LEU HA . . 3.930 2.950 2.869 3.106 . 0 0 "[ . 1 . 2]" 1
198 1 39 ALA MB 1 45 LEU HA . . 5.410 4.018 3.874 4.172 . 0 0 "[ . 1 . 2]" 1
199 1 38 LYS HA 1 39 ALA HA . . 5.500 4.392 4.379 4.455 . 0 0 "[ . 1 . 2]" 1
200 1 39 ALA HA 1 43 CYS HA . . 5.500 4.014 3.807 4.301 . 0 0 "[ . 1 . 2]" 1
201 1 39 ALA HA 1 40 THR HA . . 5.500 4.391 4.378 4.398 . 0 0 "[ . 1 . 2]" 1
202 1 39 ALA HA 1 40 THR MG . . 5.500 4.119 3.384 5.349 . 0 0 "[ . 1 . 2]" 1
203 1 2 CYS HB3 1 43 CYS HA . . 5.500 3.765 3.446 4.238 . 0 0 "[ . 1 . 2]" 1
204 1 4 ALA MB 1 45 LEU MD2 . . 5.030 2.875 2.607 3.111 . 0 0 "[ . 1 . 2]" 1
205 1 4 ALA MB 1 45 LEU MD1 . . 5.030 2.581 2.367 3.061 . 0 0 "[ . 1 . 2]" 1
206 1 4 ALA HA 1 45 LEU HG . . 5.500 4.566 4.362 4.894 . 0 0 "[ . 1 . 2]" 1
207 1 37 ILE HA 1 45 LEU HA . . 5.370 5.107 4.936 5.376 0.006 7 0 "[ . 1 . 2]" 1
208 1 47 LEU MD2 1 51 VAL HA . . 4.770 3.092 2.489 3.974 . 0 0 "[ . 1 . 2]" 1
209 1 35 TYR HA 1 47 LEU MD2 . . 5.500 4.572 4.119 5.501 0.001 19 0 "[ . 1 . 2]" 1
210 1 37 ILE MD 1 47 LEU MD1 . . 4.970 2.495 1.977 3.040 . 0 0 "[ . 1 . 2]" 1
211 1 37 ILE MD 1 47 LEU MD2 . . 4.970 4.063 2.631 4.605 . 0 0 "[ . 1 . 2]" 1
212 1 47 LEU MD2 1 50 GLN HB3 . . 5.500 2.581 1.932 5.052 . 0 0 "[ . 1 . 2]" 1
213 1 47 LEU MD2 1 50 GLN HB2 . . 5.500 2.824 2.099 5.011 . 0 0 "[ . 1 . 2]" 1
214 1 47 LEU MD1 1 50 GLN HB2 . . 5.500 4.120 1.991 4.797 . 0 0 "[ . 1 . 2]" 1
215 1 37 ILE MD 1 47 LEU HB2 . . 5.500 4.924 4.637 5.409 . 0 0 "[ . 1 . 2]" 1
216 1 37 ILE MD 1 47 LEU HA . . 4.650 3.526 3.319 3.695 . 0 0 "[ . 1 . 2]" 1
217 1 37 ILE MD 1 47 LEU HB3 . . 5.500 5.428 5.006 5.536 0.036 19 0 "[ . 1 . 2]" 1
218 1 36 LEU HG 1 37 ILE HA . . 5.500 4.054 3.898 5.691 0.191 15 0 "[ . 1 . 2]" 1
219 1 36 LEU MD1 1 48 THR MG . . 5.500 4.248 3.403 5.208 . 0 0 "[ . 1 . 2]" 1
220 1 36 LEU MD2 1 48 THR MG . . 5.500 2.532 1.832 5.033 . 0 0 "[ . 1 . 2]" 1
221 1 38 LYS HB3 1 48 THR MG . . 5.500 4.548 3.448 5.503 0.003 12 0 "[ . 1 . 2]" 1
222 1 48 THR MG 1 49 ASN HB2 . . 5.080 3.452 2.661 4.813 . 0 0 "[ . 1 . 2]" 1
223 1 48 THR MG 1 49 ASN HB3 . . 5.080 4.096 3.358 5.001 . 0 0 "[ . 1 . 2]" 1
224 1 50 GLN HA 1 51 VAL MG2 . . 5.310 3.766 3.216 4.099 . 0 0 "[ . 1 . 2]" 1
225 1 52 PHE HA 1 53 ILE MG . . 5.500 3.713 3.449 4.046 . 0 0 "[ . 1 . 2]" 1
226 1 47 LEU MD1 1 50 GLN HB3 . . 5.500 4.294 2.421 4.849 . 0 0 "[ . 1 . 2]" 1
227 1 50 GLN HA 1 51 VAL MG1 . . 5.310 3.735 3.261 5.341 0.031 18 0 "[ . 1 . 2]" 1
228 1 33 HIS HB3 1 53 ILE MD . . 5.500 4.772 4.153 5.532 0.032 19 0 "[ . 1 . 2]" 1
229 1 53 ILE HB 1 54 ASN HA . . 5.500 4.247 4.024 4.793 . 0 0 "[ . 1 . 2]" 1
230 1 52 PHE HA 1 53 ILE HA . . 5.330 4.539 4.398 4.572 . 0 0 "[ . 1 . 2]" 1
231 1 53 ILE HA 1 54 ASN HA . . 5.500 4.537 4.387 4.604 . 0 0 "[ . 1 . 2]" 1
232 1 14 ILE MD 1 56 GLU HA . . 5.500 3.932 3.711 4.225 . 0 0 "[ . 1 . 2]" 1
233 1 14 ILE MD 1 56 GLU HB2 . . 5.500 4.880 4.475 5.183 . 0 0 "[ . 1 . 2]" 1
234 1 14 ILE MD 1 56 GLU HB3 . . 5.500 3.898 3.256 4.388 . 0 0 "[ . 1 . 2]" 1
235 1 6 ILE MG 1 56 GLU HG2 . . 5.500 3.671 3.432 4.065 . 0 0 "[ . 1 . 2]" 1
236 1 14 ILE MD 1 56 GLU HG2 . . 4.760 2.864 2.694 3.071 . 0 0 "[ . 1 . 2]" 1
237 1 6 ILE MG 1 58 VAL HA . . 5.290 3.822 3.617 4.082 . 0 0 "[ . 1 . 2]" 1
238 1 7 LEU HG 1 58 VAL HA . . 5.500 4.424 4.101 4.565 . 0 0 "[ . 1 . 2]" 1
239 1 6 ILE HG12 1 58 VAL HA . . 5.500 4.463 4.303 4.617 . 0 0 "[ . 1 . 2]" 1
240 1 58 VAL HA 1 59 GLN HB3 . . 5.500 5.435 4.305 5.531 0.031 17 0 "[ . 1 . 2]" 1
241 1 4 ALA MB 1 58 VAL HB . . 5.500 4.871 4.006 5.560 0.060 18 0 "[ . 1 . 2]" 1
242 1 8 ASN HA 1 56 GLU HG2 . . 4.370 2.645 2.001 2.908 . 0 0 "[ . 1 . 2]" 1
243 1 8 ASN HA 1 56 GLU HA . . 3.940 2.897 2.804 2.953 . 0 0 "[ . 1 . 2]" 1
244 1 6 ILE HA 1 58 VAL HA . . 3.690 2.546 2.330 2.747 . 0 0 "[ . 1 . 2]" 1
245 1 6 ILE MD 1 58 VAL HA . . 4.360 2.866 2.656 3.079 . 0 0 "[ . 1 . 2]" 1
246 1 6 ILE MD 1 58 VAL HB . . 4.620 3.730 2.810 4.374 . 0 0 "[ . 1 . 2]" 1
247 1 6 ILE HA 1 58 VAL MG2 . . 5.500 4.483 3.219 5.411 . 0 0 "[ . 1 . 2]" 1
248 1 58 VAL MG2 1 59 GLN HA . . 5.500 4.354 3.316 5.480 . 0 0 "[ . 1 . 2]" 1
249 1 58 VAL MG1 1 59 GLN HA . . 5.500 4.642 3.378 5.487 . 0 0 "[ . 1 . 2]" 1
250 1 59 GLN HA 1 60 SER HB3 . . 5.500 5.129 4.296 5.486 . 0 0 "[ . 1 . 2]" 1
251 1 59 GLN HA 1 60 SER HB2 . . 5.500 4.690 4.120 5.420 . 0 0 "[ . 1 . 2]" 1
252 1 58 VAL HA 1 59 GLN HA . . 5.500 4.428 4.418 4.487 . 0 0 "[ . 1 . 2]" 1
253 1 58 VAL HA 1 59 GLN HB2 . . 5.500 4.181 4.012 5.611 0.111 12 0 "[ . 1 . 2]" 1
254 1 60 SER HA 1 61 GLY HA2 . . 5.070 4.457 4.393 4.489 . 0 0 "[ . 1 . 2]" 1
255 1 60 SER HA 1 61 GLY HA3 . . 5.070 4.406 4.381 4.426 . 0 0 "[ . 1 . 2]" 1
256 1 5 ASN HB3 1 59 GLN HB3 . . 5.500 4.380 3.629 5.074 . 0 0 "[ . 1 . 2]" 1
257 1 7 LEU MD1 1 59 GLN HB3 . . 5.500 3.355 2.048 3.555 . 0 0 "[ . 1 . 2]" 1
258 1 7 LEU MD2 1 59 GLN HB3 . . 5.500 3.990 3.474 4.197 . 0 0 "[ . 1 . 2]" 1
259 1 7 LEU MD1 1 59 GLN HG2 . . 5.500 2.228 1.934 3.309 . 0 0 "[ . 1 . 2]" 1
260 1 7 LEU MD2 1 59 GLN HG2 . . 5.500 3.888 3.294 4.852 . 0 0 "[ . 1 . 2]" 1
261 1 7 LEU MD2 1 59 GLN HB2 . . 5.500 3.226 2.971 4.307 . 0 0 "[ . 1 . 2]" 1
262 1 7 LEU MD1 1 59 GLN HG3 . . 5.500 2.331 1.896 4.047 . 0 0 "[ . 1 . 2]" 1
263 1 7 LEU MD2 1 59 GLN HG3 . . 5.500 3.166 2.003 4.257 . 0 0 "[ . 1 . 2]" 1
264 1 3 VAL MG1 1 61 GLY HA2 . . 5.500 3.586 3.395 3.752 . 0 0 "[ . 1 . 2]" 1
265 1 3 VAL MG2 1 61 GLY HA2 . . 5.500 4.890 4.647 5.283 . 0 0 "[ . 1 . 2]" 1
266 1 3 VAL HB 1 61 GLY HA3 . . 5.500 2.630 2.290 3.188 . 0 0 "[ . 1 . 2]" 1
267 1 3 VAL MG1 1 61 GLY HA3 . . 5.500 2.134 1.962 2.298 . 0 0 "[ . 1 . 2]" 1
268 1 3 VAL MG2 1 61 GLY HA3 . . 5.500 3.663 3.379 4.094 . 0 0 "[ . 1 . 2]" 1
269 1 2 CYS HA 1 63 ARG HA . . 4.030 2.616 2.092 3.465 . 0 0 "[ . 1 . 2]" 1
270 1 4 ALA MB 1 5 ASN HA . . 4.680 4.055 3.988 4.116 . 0 0 "[ . 1 . 2]" 1
271 1 5 ASN HB2 1 59 GLN HB3 . . 5.500 3.411 2.686 4.565 . 0 0 "[ . 1 . 2]" 1
272 1 5 ASN HB2 1 59 GLN HB2 . . 5.500 3.253 2.802 4.450 . 0 0 "[ . 1 . 2]" 1
273 1 4 ALA MB 1 37 ILE MD . . 4.990 3.476 3.321 3.707 . 0 0 "[ . 1 . 2]" 1
274 1 3 VAL MG2 1 18 CYS HA . . 5.500 3.288 3.036 3.702 . 0 0 "[ . 1 . 2]" 1
275 1 6 ILE MD 1 37 ILE MG . . 4.340 3.829 3.486 3.984 . 0 0 "[ . 1 . 2]" 1
276 1 6 ILE MD 1 29 VAL HB . . 4.950 4.742 4.132 5.119 0.169 16 0 "[ . 1 . 2]" 1
277 1 6 ILE MG 1 8 ASN HA . . 5.310 4.298 4.246 4.345 . 0 0 "[ . 1 . 2]" 1
278 1 22 GLY HA3 1 39 ALA MB . . 5.500 5.192 4.911 5.505 0.005 3 0 "[ . 1 . 2]" 1
279 1 26 ARG HG2 1 34 SER HB2 . . 5.080 2.350 1.997 3.002 . 0 0 "[ . 1 . 2]" 1
280 1 37 ILE MG 1 45 LEU HB2 . . 4.510 3.483 3.373 3.793 . 0 0 "[ . 1 . 2]" 1
281 1 37 ILE MG 1 45 LEU HB3 . . 4.510 2.085 1.972 2.348 . 0 0 "[ . 1 . 2]" 1
282 1 37 ILE MG 1 45 LEU HA . . 3.950 2.926 2.809 3.168 . 0 0 "[ . 1 . 2]" 1
283 1 37 ILE MD 1 58 VAL MG2 . . 4.550 2.738 1.832 3.899 . 0 0 "[ . 1 . 2]" 1
284 1 2 CYS HB2 1 43 CYS HA . . 5.500 3.598 2.671 3.941 . 0 0 "[ . 1 . 2]" 1
285 1 1 ASN HB3 1 20 PRO HA . . 4.940 2.484 2.003 3.236 . 0 0 "[ . 1 . 2]" 1
286 1 47 LEU MD1 1 51 VAL HA . . 4.770 4.685 4.246 4.799 0.029 11 0 "[ . 1 . 2]" 1
287 1 1 ASN HA 1 20 PRO HA . . 4.950 3.538 3.040 4.111 . 0 0 "[ . 1 . 2]" 1
288 1 1 ASN HB3 1 21 ALA MB . . 5.500 4.574 4.206 4.813 . 0 0 "[ . 1 . 2]" 1
289 1 1 ASN HB2 1 21 ALA MB . . 5.500 5.390 5.099 5.524 0.024 12 0 "[ . 1 . 2]" 1
290 1 2 CYS HA 1 19 VAL HB . . 5.500 5.269 5.095 5.449 . 0 0 "[ . 1 . 2]" 1
291 1 2 CYS HA 1 39 ALA MB . . 5.500 4.988 4.473 5.204 . 0 0 "[ . 1 . 2]" 1
292 1 5 ASN HB2 1 7 LEU MD1 . . 5.500 4.601 4.290 4.785 . 0 0 "[ . 1 . 2]" 1
293 1 9 ILE MG 1 10 ASN HB2 . . 5.500 3.429 2.864 4.718 . 0 0 "[ . 1 . 2]" 1
294 1 25 LEU HB2 1 27 ILE MD . . 5.500 5.463 5.236 5.540 0.040 7 0 "[ . 1 . 2]" 1
295 1 38 LYS HA 1 39 ALA MB . . 5.500 3.954 3.875 3.984 . 0 0 "[ . 1 . 2]" 1
296 1 6 ILE MD 1 37 ILE MD . . 4.400 1.890 1.830 1.997 . 0 0 "[ . 1 . 2]" 1
297 1 6 ILE MG 1 14 ILE MD . . 4.410 2.197 2.065 2.335 . 0 0 "[ . 1 . 2]" 1
298 1 6 ILE MG 1 29 VAL HB . . 5.500 3.411 2.848 3.962 . 0 0 "[ . 1 . 2]" 1
299 1 6 ILE MD 1 27 ILE MD . . 4.650 2.994 2.417 3.560 . 0 0 "[ . 1 . 2]" 1
300 1 6 ILE MG 1 35 TYR QD . . 5.010 3.114 2.235 3.649 . 0 0 "[ . 1 . 2]" 1
301 1 6 ILE MG 1 35 TYR QE . . 4.540 4.462 3.170 4.590 0.050 20 0 "[ . 1 . 2]" 1
302 1 28 PHE QD 1 34 SER HB3 . . 5.210 2.840 2.237 4.573 . 0 0 "[ . 1 . 2]" 1
303 1 28 PHE QD 1 34 SER HB2 . . 5.210 4.148 3.508 5.272 0.062 4 0 "[ . 1 . 2]" 1
304 1 1 ASN HA 1 2 CYS H . . 3.470 2.565 2.302 2.722 . 0 0 "[ . 1 . 2]" 1
305 1 1 ASN HB2 1 2 CYS H . . 3.530 3.115 2.647 3.528 . 0 0 "[ . 1 . 2]" 1
306 1 1 ASN HB3 1 2 CYS H . . 3.530 2.260 1.948 2.807 . 0 0 "[ . 1 . 2]" 1
307 1 2 CYS HA 1 3 VAL H . . 3.020 2.355 2.141 2.577 . 0 0 "[ . 1 . 2]" 1
308 1 3 VAL H 1 4 ALA H . . 5.140 4.514 4.455 4.607 . 0 0 "[ . 1 . 2]" 1
309 1 3 VAL HA 1 4 ALA H . . 2.850 2.219 2.190 2.239 . 0 0 "[ . 1 . 2]" 1
310 1 3 VAL HB 1 4 ALA H . . 4.610 3.991 3.929 4.088 . 0 0 "[ . 1 . 2]" 1
311 1 3 VAL MG1 1 4 ALA H . . 3.790 2.286 2.197 2.404 . 0 0 "[ . 1 . 2]" 1
312 1 3 VAL MG2 1 4 ALA H . . 3.790 3.850 3.830 3.869 0.079 14 0 "[ . 1 . 2]" 1
313 1 4 ALA H 1 5 ASN H . . 4.940 4.366 4.218 4.432 . 0 0 "[ . 1 . 2]" 1
314 1 4 ALA HA 1 5 ASN H . . 2.760 2.157 2.142 2.191 . 0 0 "[ . 1 . 2]" 1
315 1 5 ASN H 1 6 ILE H . . 4.930 4.408 4.377 4.449 . 0 0 "[ . 1 . 2]" 1
316 1 5 ASN HB2 1 6 ILE H . . 4.280 4.158 3.981 4.253 . 0 0 "[ . 1 . 2]" 1
317 1 5 ASN HB3 1 6 ILE H . . 4.280 2.986 2.725 3.189 . 0 0 "[ . 1 . 2]" 1
318 1 6 ILE H 1 7 LEU H . . 5.500 4.445 4.405 4.513 . 0 0 "[ . 1 . 2]" 1
319 1 6 ILE HA 1 7 LEU H . . 2.760 2.178 2.153 2.207 . 0 0 "[ . 1 . 2]" 1
320 1 6 ILE HB 1 7 LEU H . . 4.770 4.036 3.946 4.142 . 0 0 "[ . 1 . 2]" 1
321 1 6 ILE MG 1 7 LEU H . . 3.310 2.333 2.155 2.525 . 0 0 "[ . 1 . 2]" 1
322 1 6 ILE HG12 1 7 LEU H . . 4.770 4.908 4.863 4.952 0.182 1 0 "[ . 1 . 2]" 1
323 1 7 LEU H 1 7 LEU HB2 . . 4.010 2.771 2.724 2.877 . 0 0 "[ . 1 . 2]" 1
324 1 6 ILE MD 1 7 LEU H . . 4.090 3.648 3.564 3.755 . 0 0 "[ . 1 . 2]" 1
325 1 7 LEU HB2 1 8 ASN H . . 3.980 3.549 3.453 3.608 . 0 0 "[ . 1 . 2]" 1
326 1 7 LEU HB3 1 8 ASN H . . 3.980 2.688 2.657 2.754 . 0 0 "[ . 1 . 2]" 1
327 1 7 LEU MD1 1 8 ASN H . . 4.820 4.899 4.862 4.933 0.113 16 0 "[ . 1 . 2]" 1
328 1 7 LEU MD2 1 8 ASN H . . 4.820 4.028 3.858 4.117 . 0 0 "[ . 1 . 2]" 1
329 1 8 ASN HB2 1 9 ILE H . . 3.670 1.946 1.892 2.106 . 0 0 "[ . 1 . 2]" 1
330 1 8 ASN HB3 1 9 ILE H . . 3.670 3.475 3.315 3.561 . 0 0 "[ . 1 . 2]" 1
331 1 9 ILE H 1 10 ASN H . . 4.030 2.691 2.652 2.738 . 0 0 "[ . 1 . 2]" 1
332 1 9 ILE HB 1 10 ASN H . . 4.770 3.869 2.894 4.167 . 0 0 "[ . 1 . 2]" 1
333 1 9 ILE HG12 1 10 ASN H . . 5.310 4.508 4.120 5.346 0.036 2 0 "[ . 1 . 2]" 1
334 1 9 ILE HG13 1 10 ASN H . . 5.310 4.593 3.771 5.132 . 0 0 "[ . 1 . 2]" 1
335 1 9 ILE MG 1 10 ASN H . . 4.120 2.561 2.117 3.698 . 0 0 "[ . 1 . 2]" 1
336 1 10 ASN HB2 1 11 GLU H . . 4.750 4.072 3.852 4.445 . 0 0 "[ . 1 . 2]" 1
337 1 10 ASN HB3 1 11 GLU H . . 4.750 4.106 3.839 4.428 . 0 0 "[ . 1 . 2]" 1
338 1 11 GLU HB2 1 12 ALA H . . 5.130 4.136 4.033 4.418 . 0 0 "[ . 1 . 2]" 1
339 1 11 GLU HB3 1 12 ALA H . . 5.130 4.436 4.352 4.468 . 0 0 "[ . 1 . 2]" 1
340 1 11 GLU HG2 1 12 ALA H . . 5.500 4.888 4.784 4.915 . 0 0 "[ . 1 . 2]" 1
341 1 11 GLU HG3 1 12 ALA H . . 5.500 5.264 5.154 5.480 . 0 0 "[ . 1 . 2]" 1
342 1 12 ALA HA 1 13 VAL H . . 3.070 2.149 2.141 2.165 . 0 0 "[ . 1 . 2]" 1
343 1 12 ALA MB 1 13 VAL H . . 3.410 3.177 3.064 3.265 . 0 0 "[ . 1 . 2]" 1
344 1 13 VAL H 1 14 ILE H . . 5.360 4.400 4.363 4.477 . 0 0 "[ . 1 . 2]" 1
345 1 13 VAL HA 1 14 ILE H . . 2.850 2.152 2.140 2.162 . 0 0 "[ . 1 . 2]" 1
346 1 13 VAL HB 1 14 ILE H . . 4.950 4.454 4.398 4.475 . 0 0 "[ . 1 . 2]" 1
347 1 14 ILE H 1 14 ILE MD . . 3.670 3.627 3.603 3.654 . 0 0 "[ . 1 . 2]" 1
348 1 6 ILE HB 1 15 ALA H . . 3.440 2.861 2.769 2.939 . 0 0 "[ . 1 . 2]" 1
349 1 14 ILE MG 1 15 ALA H . . 4.370 4.191 4.143 4.219 . 0 0 "[ . 1 . 2]" 1
350 1 14 ILE HG12 1 15 ALA H . . 3.690 3.106 3.039 3.174 . 0 0 "[ . 1 . 2]" 1
351 1 14 ILE HG13 1 15 ALA H . . 3.690 2.619 2.420 2.741 . 0 0 "[ . 1 . 2]" 1
352 1 15 ALA HA 1 16 THR H . . 3.050 2.334 2.266 2.385 . 0 0 "[ . 1 . 2]" 1
353 1 15 ALA MB 1 16 THR H . . 3.420 2.641 2.548 2.780 . 0 0 "[ . 1 . 2]" 1
354 1 16 THR HB 1 17 GLY H . . 4.000 3.168 2.667 3.976 . 0 0 "[ . 1 . 2]" 1
355 1 16 THR MG 1 17 GLY H . . 5.080 3.638 3.400 3.811 . 0 0 "[ . 1 . 2]" 1
356 1 17 GLY HA3 1 18 CYS H . . 3.360 2.648 2.512 2.730 . 0 0 "[ . 1 . 2]" 1
357 1 18 CYS H 1 19 VAL H . . 4.830 4.412 4.281 4.499 . 0 0 "[ . 1 . 2]" 1
358 1 18 CYS HA 1 19 VAL H . . 2.840 2.180 2.140 2.252 . 0 0 "[ . 1 . 2]" 1
359 1 18 CYS HB2 1 19 VAL H . . 4.610 4.234 3.989 4.561 . 0 0 "[ . 1 . 2]" 1
360 1 18 CYS HB3 1 19 VAL H . . 4.610 3.813 2.953 4.245 . 0 0 "[ . 1 . 2]" 1
361 1 20 PRO HA 1 21 ALA H . . 3.090 2.477 2.288 2.643 . 0 0 "[ . 1 . 2]" 1
362 1 20 PRO HG2 1 21 ALA H . . 5.500 4.274 3.948 4.639 . 0 0 "[ . 1 . 2]" 1
363 1 20 PRO HG3 1 21 ALA H . . 5.500 4.952 4.654 5.303 . 0 0 "[ . 1 . 2]" 1
364 1 21 ALA HA 1 22 GLY H . . 2.970 2.146 2.145 2.154 . 0 0 "[ . 1 . 2]" 1
365 1 21 ALA MB 1 22 GLY H . . 3.790 3.230 3.153 3.253 . 0 0 "[ . 1 . 2]" 1
366 1 23 GLY HA2 1 24 GLU H . . 3.310 2.847 2.681 3.010 . 0 0 "[ . 1 . 2]" 1
367 1 23 GLY HA3 1 24 GLU H . . 3.310 2.322 2.213 2.450 . 0 0 "[ . 1 . 2]" 1
368 1 24 GLU H 1 25 LEU H . . 5.110 4.298 4.187 4.412 . 0 0 "[ . 1 . 2]" 1
369 1 24 GLU HB2 1 25 LEU H . . 4.170 3.184 2.755 3.868 . 0 0 "[ . 1 . 2]" 1
370 1 24 GLU HB3 1 25 LEU H . . 4.170 3.539 2.378 4.057 . 0 0 "[ . 1 . 2]" 1
371 1 25 LEU HG 1 26 ARG H . . 3.660 2.916 2.154 3.602 . 0 0 "[ . 1 . 2]" 1
372 1 26 ARG H 1 27 ILE H . . 4.970 4.429 4.304 4.548 . 0 0 "[ . 1 . 2]" 1
373 1 26 ARG HA 1 27 ILE H . . 2.790 2.153 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
374 1 26 ARG HG2 1 27 ILE H . . 3.790 3.649 2.175 3.801 0.011 10 0 "[ . 1 . 2]" 1
375 1 26 ARG HG3 1 27 ILE H . . 3.790 3.003 2.510 3.880 0.090 7 0 "[ . 1 . 2]" 1
376 1 27 ILE H 1 34 SER HB3 . . 4.880 4.614 4.006 4.945 0.065 4 0 "[ . 1 . 2]" 1
377 1 27 ILE HB 1 28 PHE H . . 4.770 3.869 3.622 4.025 . 0 0 "[ . 1 . 2]" 1
378 1 27 ILE MG 1 28 PHE H . . 3.970 2.135 1.898 2.405 . 0 0 "[ . 1 . 2]" 1
379 1 27 ILE MD 1 28 PHE H . . 5.010 4.796 4.708 4.967 . 0 0 "[ . 1 . 2]" 1
380 1 28 PHE HA 1 29 VAL H . . 3.060 2.142 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
381 1 28 PHE HB2 1 29 VAL H . . 4.050 4.062 3.451 4.205 0.155 9 0 "[ . 1 . 2]" 1
382 1 29 VAL HA 1 30 GLY H . . 2.910 2.315 2.145 2.925 0.015 18 0 "[ . 1 . 2]" 1
383 1 29 VAL HB 1 30 GLY H . . 4.920 4.349 3.819 4.571 . 0 0 "[ . 1 . 2]" 1
384 1 29 VAL MG1 1 30 GLY H . . 4.560 3.782 2.725 4.328 . 0 0 "[ . 1 . 2]" 1
385 1 29 VAL MG2 1 30 GLY H . . 4.560 3.682 2.709 4.372 . 0 0 "[ . 1 . 2]" 1
386 1 8 ASN H 1 12 ALA HA . . 5.500 4.385 4.327 4.471 . 0 0 "[ . 1 . 2]" 1
387 1 32 SER H 1 33 HIS H . . 4.580 2.427 1.876 4.237 . 0 0 "[ . 1 . 2]" 1
388 1 32 SER HB3 1 33 HIS H . . 4.610 3.938 2.606 4.570 . 0 0 "[ . 1 . 2]" 1
389 1 33 HIS H 1 34 SER H . . 4.890 4.306 3.411 4.503 . 0 0 "[ . 1 . 2]" 1
390 1 33 HIS HA 1 34 SER H . . 3.370 2.328 2.147 2.706 . 0 0 "[ . 1 . 2]" 1
391 1 33 HIS HB2 1 34 SER H . . 5.500 3.751 1.920 4.653 . 0 0 "[ . 1 . 2]" 1
392 1 33 HIS HB3 1 34 SER H . . 5.500 3.182 2.259 4.084 . 0 0 "[ . 1 . 2]" 1
393 1 34 SER HA 1 35 TYR H . . 3.260 2.369 2.237 2.556 . 0 0 "[ . 1 . 2]" 1
394 1 34 SER HB3 1 35 TYR H . . 3.780 3.324 2.898 3.690 . 0 0 "[ . 1 . 2]" 1
395 1 35 TYR HA 1 36 LEU H . . 3.050 2.169 2.151 2.203 . 0 0 "[ . 1 . 2]" 1
396 1 35 TYR HB2 1 36 LEU H . . 4.450 4.358 4.266 4.415 . 0 0 "[ . 1 . 2]" 1
397 1 35 TYR HB3 1 36 LEU H . . 4.450 3.308 3.177 3.407 . 0 0 "[ . 1 . 2]" 1
398 1 36 LEU HA 1 37 ILE H . . 2.750 2.166 2.159 2.209 . 0 0 "[ . 1 . 2]" 1
399 1 36 LEU HB2 1 37 ILE H . . 4.150 4.156 4.106 4.182 0.032 4 0 "[ . 1 . 2]" 1
400 1 36 LEU HB3 1 37 ILE H . . 4.150 4.152 3.967 4.187 0.037 7 0 "[ . 1 . 2]" 1
401 1 36 LEU HG 1 37 ILE H . . 4.120 3.276 3.107 4.204 0.084 15 0 "[ . 1 . 2]" 1
402 1 37 ILE HA 1 38 LYS H . . 2.780 2.139 2.138 2.145 . 0 0 "[ . 1 . 2]" 1
403 1 37 ILE HB 1 38 LYS H . . 4.870 4.179 4.053 4.233 . 0 0 "[ . 1 . 2]" 1
404 1 37 ILE MG 1 38 LYS H . . 3.260 2.807 2.585 2.948 . 0 0 "[ . 1 . 2]" 1
405 1 37 ILE MD 1 38 LYS H . . 4.020 3.831 3.762 3.946 . 0 0 "[ . 1 . 2]" 1
406 1 38 LYS H 1 39 ALA H . . 5.070 4.493 4.438 4.589 . 0 0 "[ . 1 . 2]" 1
407 1 38 LYS HA 1 39 ALA H . . 3.240 2.195 2.146 2.373 . 0 0 "[ . 1 . 2]" 1
408 1 38 LYS HD2 1 39 ALA H . . 5.500 5.244 4.609 5.544 0.044 10 0 "[ . 1 . 2]" 1
409 1 38 LYS HD3 1 39 ALA H . . 5.500 5.002 3.573 5.415 . 0 0 "[ . 1 . 2]" 1
410 1 39 ALA H 1 40 THR H . . 5.040 4.341 4.153 4.427 . 0 0 "[ . 1 . 2]" 1
411 1 39 ALA HA 1 40 THR H . . 2.890 2.142 2.140 2.148 . 0 0 "[ . 1 . 2]" 1
412 1 39 ALA MB 1 40 THR H . . 3.810 3.221 3.121 3.275 . 0 0 "[ . 1 . 2]" 1
413 1 42 SER H 1 43 CYS H . . 4.540 2.652 2.558 2.705 . 0 0 "[ . 1 . 2]" 1
414 1 43 CYS HB2 1 44 GLY H . . 5.500 4.091 3.962 4.507 . 0 0 "[ . 1 . 2]" 1
415 1 43 CYS HB3 1 44 GLY H . . 5.500 4.182 4.050 4.248 . 0 0 "[ . 1 . 2]" 1
416 1 44 GLY HA2 1 45 LEU H . . 3.520 2.147 2.138 2.188 . 0 0 "[ . 1 . 2]" 1
417 1 44 GLY HA3 1 45 LEU H . . 3.520 3.223 3.059 3.321 . 0 0 "[ . 1 . 2]" 1
418 1 45 LEU H 1 46 SER H . . 5.500 4.589 4.564 4.611 . 0 0 "[ . 1 . 2]" 1
419 1 45 LEU HA 1 46 SER H . . 2.930 2.268 2.227 2.304 . 0 0 "[ . 1 . 2]" 1
420 1 45 LEU HB2 1 46 SER H . . 4.370 3.793 3.654 3.927 . 0 0 "[ . 1 . 2]" 1
421 1 45 LEU HB3 1 46 SER H . . 4.370 2.780 2.691 2.900 . 0 0 "[ . 1 . 2]" 1
422 1 45 LEU HG 1 46 SER H . . 5.160 5.173 5.139 5.221 0.061 10 0 "[ . 1 . 2]" 1
423 1 45 LEU MD2 1 46 SER H . . 4.460 3.525 3.410 3.664 . 0 0 "[ . 1 . 2]" 1
424 1 38 LYS H 1 47 LEU H . . 5.500 4.832 4.632 5.060 . 0 0 "[ . 1 . 2]" 1
425 1 46 SER HA 1 47 LEU H . . 3.080 2.258 2.197 2.370 . 0 0 "[ . 1 . 2]" 1
426 1 47 LEU HA 1 48 THR H . . 3.050 2.417 2.299 2.564 . 0 0 "[ . 1 . 2]" 1
427 1 47 LEU HB2 1 48 THR H . . 4.040 3.954 3.713 4.103 0.063 2 0 "[ . 1 . 2]" 1
428 1 47 LEU HB3 1 48 THR H . . 4.040 2.624 2.232 2.860 . 0 0 "[ . 1 . 2]" 1
429 1 47 LEU HG 1 48 THR H . . 4.470 3.183 2.700 4.342 . 0 0 "[ . 1 . 2]" 1
430 1 48 THR H 1 49 ASN H . . 5.060 4.011 3.813 4.207 . 0 0 "[ . 1 . 2]" 1
431 1 48 THR HB 1 49 ASN H . . 4.420 4.384 4.017 4.533 0.113 11 0 "[ . 1 . 2]" 1
432 1 48 THR MG 1 49 ASN H . . 4.680 3.500 2.872 4.226 . 0 0 "[ . 1 . 2]" 1
433 1 49 ASN H 1 50 GLN H . . 3.970 2.746 2.610 2.885 . 0 0 "[ . 1 . 2]" 1
434 1 49 ASN HA 1 50 GLN H . . 3.510 2.908 2.702 3.088 . 0 0 "[ . 1 . 2]" 1
435 1 49 ASN HB2 1 50 GLN H . . 5.180 4.387 4.096 4.618 . 0 0 "[ . 1 . 2]" 1
436 1 49 ASN HB3 1 50 GLN H . . 5.180 4.154 3.967 4.492 . 0 0 "[ . 1 . 2]" 1
437 1 50 GLN H 1 51 VAL H . . 4.950 4.420 4.354 4.505 . 0 0 "[ . 1 . 2]" 1
438 1 50 GLN HA 1 51 VAL H . . 3.240 2.412 2.247 2.637 . 0 0 "[ . 1 . 2]" 1
439 1 50 GLN HB2 1 51 VAL H . . 4.120 3.838 3.323 4.120 0.000 10 0 "[ . 1 . 2]" 1
440 1 50 GLN HB3 1 51 VAL H . . 4.120 2.489 1.947 2.896 . 0 0 "[ . 1 . 2]" 1
441 1 51 VAL HA 1 52 PHE H . . 3.430 2.449 2.182 2.655 . 0 0 "[ . 1 . 2]" 1
442 1 51 VAL HB 1 52 PHE H . . 3.260 2.455 1.953 3.309 0.049 12 0 "[ . 1 . 2]" 1
443 1 51 VAL MG1 1 52 PHE H . . 4.180 3.394 1.882 3.968 . 0 0 "[ . 1 . 2]" 1
444 1 51 VAL MG2 1 52 PHE H . . 4.180 3.378 2.857 3.982 . 0 0 "[ . 1 . 2]" 1
445 1 52 PHE H 1 53 ILE H . . 5.500 4.506 4.453 4.636 . 0 0 "[ . 1 . 2]" 1
446 1 52 PHE HA 1 53 ILE H . . 3.000 2.491 2.140 2.576 . 0 0 "[ . 1 . 2]" 1
447 1 52 PHE HB2 1 53 ILE H . . 4.390 2.596 2.219 4.315 . 0 0 "[ . 1 . 2]" 1
448 1 52 PHE HB3 1 53 ILE H . . 4.390 3.731 3.039 4.338 . 0 0 "[ . 1 . 2]" 1
449 1 53 ILE H 1 54 ASN H . . 5.500 4.373 4.227 4.430 . 0 0 "[ . 1 . 2]" 1
450 1 53 ILE HA 1 54 ASN H . . 3.140 2.456 2.176 2.576 . 0 0 "[ . 1 . 2]" 1
451 1 53 ILE HB 1 54 ASN H . . 3.260 2.290 2.007 3.088 . 0 0 "[ . 1 . 2]" 1
452 1 53 ILE MG 1 54 ASN H . . 4.070 3.480 3.226 3.869 . 0 0 "[ . 1 . 2]" 1
453 1 54 ASN HB2 1 55 GLY H . . 5.500 4.244 4.034 4.555 . 0 0 "[ . 1 . 2]" 1
454 1 54 ASN HB3 1 55 GLY H . . 5.500 4.192 3.894 4.422 . 0 0 "[ . 1 . 2]" 1
455 1 56 GLU H 1 57 SER H . . 5.210 4.542 4.481 4.622 . 0 0 "[ . 1 . 2]" 1
456 1 56 GLU HA 1 57 SER H . . 3.160 2.189 2.139 2.397 . 0 0 "[ . 1 . 2]" 1
457 1 57 SER HA 1 58 VAL H . . 3.280 2.421 2.365 2.522 . 0 0 "[ . 1 . 2]" 1
458 1 57 SER HB2 1 58 VAL H . . 3.480 2.766 2.310 3.263 . 0 0 "[ . 1 . 2]" 1
459 1 57 SER HB3 1 58 VAL H . . 3.480 3.037 2.308 3.448 . 0 0 "[ . 1 . 2]" 1
460 1 58 VAL HA 1 59 GLN H . . 2.820 2.217 2.197 2.328 . 0 0 "[ . 1 . 2]" 1
461 1 59 GLN HA 1 60 SER H . . 3.250 2.237 2.174 2.304 . 0 0 "[ . 1 . 2]" 1
462 1 59 GLN HB2 1 60 SER H . . 4.440 4.154 2.740 4.396 . 0 0 "[ . 1 . 2]" 1
463 1 59 GLN HB3 1 60 SER H . . 4.440 3.103 2.786 4.010 . 0 0 "[ . 1 . 2]" 1
464 1 60 SER HA 1 61 GLY H . . 2.890 2.184 2.142 2.221 . 0 0 "[ . 1 . 2]" 1
465 1 60 SER HB2 1 61 GLY H . . 4.810 4.391 3.850 4.658 . 0 0 "[ . 1 . 2]" 1
466 1 60 SER HB3 1 61 GLY H . . 4.810 4.179 3.749 4.596 . 0 0 "[ . 1 . 2]" 1
467 1 61 GLY H 1 62 GLY H . . 3.850 2.704 2.661 2.727 . 0 0 "[ . 1 . 2]" 1
468 1 62 GLY H 1 63 ARG H . . 5.500 4.406 4.254 4.519 . 0 0 "[ . 1 . 2]" 1
469 1 63 ARG HA 1 64 CYS H . . 2.900 2.274 2.217 2.337 . 0 0 "[ . 1 . 2]" 1
470 1 63 ARG HB2 1 64 CYS H . . 4.000 3.391 2.708 4.014 0.014 4 0 "[ . 1 . 2]" 1
471 1 63 ARG HB3 1 64 CYS H . . 4.000 3.363 2.610 4.022 0.022 8 0 "[ . 1 . 2]" 1
472 1 2 CYS H 1 2 CYS HB3 . . 3.940 3.603 2.870 3.899 . 0 0 "[ . 1 . 2]" 1
473 1 3 VAL H 1 3 VAL HB . . 3.160 2.543 2.447 2.622 . 0 0 "[ . 1 . 2]" 1
474 1 3 VAL H 1 3 VAL MG1 . . 3.970 3.803 3.761 3.838 . 0 0 "[ . 1 . 2]" 1
475 1 3 VAL H 1 3 VAL MG2 . . 3.970 2.591 2.251 2.757 . 0 0 "[ . 1 . 2]" 1
476 1 5 ASN H 1 5 ASN HB2 . . 3.670 2.564 2.483 2.622 . 0 0 "[ . 1 . 2]" 1
477 1 5 ASN H 1 5 ASN HB3 . . 3.670 3.695 3.629 3.749 0.079 20 0 "[ . 1 . 2]" 1
478 1 6 ILE H 1 6 ILE HB . . 3.260 2.642 2.590 2.676 . 0 0 "[ . 1 . 2]" 1
479 1 6 ILE H 1 6 ILE MG . . 3.790 3.854 3.831 3.869 0.079 7 0 "[ . 1 . 2]" 1
480 1 6 ILE H 1 6 ILE HG12 . . 3.430 2.604 2.492 2.685 . 0 0 "[ . 1 . 2]" 1
481 1 6 ILE H 1 6 ILE HG13 . . 3.880 3.808 3.703 3.881 0.001 19 0 "[ . 1 . 2]" 1
482 1 6 ILE H 1 6 ILE MD . . 3.810 3.886 3.818 3.927 0.117 18 0 "[ . 1 . 2]" 1
483 1 7 LEU H 1 7 LEU HB3 . . 4.010 3.780 3.756 3.818 . 0 0 "[ . 1 . 2]" 1
484 1 7 LEU H 1 7 LEU HG . . 3.590 2.745 2.702 2.805 . 0 0 "[ . 1 . 2]" 1
485 1 7 LEU H 1 7 LEU MD1 . . 4.130 2.925 2.717 3.088 . 0 0 "[ . 1 . 2]" 1
486 1 7 LEU H 1 7 LEU MD2 . . 4.130 4.160 4.134 4.207 0.077 12 0 "[ . 1 . 2]" 1
487 1 8 ASN H 1 8 ASN HB2 . . 4.030 3.631 3.566 3.664 . 0 0 "[ . 1 . 2]" 1
488 1 8 ASN H 1 8 ASN HB3 . . 4.030 2.758 2.534 2.995 . 0 0 "[ . 1 . 2]" 1
489 1 9 ILE H 1 9 ILE HB . . 3.200 2.514 2.454 2.596 . 0 0 "[ . 1 . 2]" 1
490 1 9 ILE H 1 9 ILE MG . . 3.870 2.447 1.967 3.760 . 0 0 "[ . 1 . 2]" 1
491 1 10 ASN H 1 10 ASN HB2 . . 3.720 2.339 2.137 2.566 . 0 0 "[ . 1 . 2]" 1
492 1 10 ASN H 1 10 ASN HB3 . . 3.720 3.281 2.699 3.666 . 0 0 "[ . 1 . 2]" 1
493 1 11 GLU H 1 11 GLU HA . . 2.930 2.275 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
494 1 11 GLU H 1 11 GLU HG2 . . 4.090 3.010 2.862 3.093 . 0 0 "[ . 1 . 2]" 1
495 1 11 GLU H 1 11 GLU HG3 . . 4.090 3.367 3.235 3.454 . 0 0 "[ . 1 . 2]" 1
496 1 12 ALA H 1 12 ALA MB . . 3.030 2.295 2.152 2.573 . 0 0 "[ . 1 . 2]" 1
497 1 13 VAL H 1 13 VAL HB . . 3.120 2.414 2.387 2.432 . 0 0 "[ . 1 . 2]" 1
498 1 13 VAL H 1 13 VAL MG1 . . 3.870 3.741 3.731 3.747 . 0 0 "[ . 1 . 2]" 1
499 1 13 VAL H 1 13 VAL MG2 . . 3.870 2.272 2.241 2.329 . 0 0 "[ . 1 . 2]" 1
500 1 6 ILE HB 1 14 ILE H . . 3.930 3.941 3.832 3.995 0.065 19 0 "[ . 1 . 2]" 1
501 1 14 ILE H 1 14 ILE MG . . 3.680 3.037 2.965 3.169 . 0 0 "[ . 1 . 2]" 1
502 1 14 ILE H 1 14 ILE HG12 . . 3.460 1.909 1.878 1.943 . 0 0 "[ . 1 . 2]" 1
503 1 14 ILE H 1 14 ILE HG13 . . 3.460 2.697 2.668 2.718 . 0 0 "[ . 1 . 2]" 1
504 1 15 ALA H 1 15 ALA MB . . 3.560 2.624 2.590 2.669 . 0 0 "[ . 1 . 2]" 1
505 1 16 THR H 1 16 THR HB . . 3.860 3.705 3.269 3.909 0.049 5 0 "[ . 1 . 2]" 1
506 1 16 THR H 1 16 THR MG . . 3.360 2.989 2.401 3.351 . 0 0 "[ . 1 . 2]" 1
507 1 19 VAL H 1 19 VAL HB . . 3.160 2.664 2.532 2.733 . 0 0 "[ . 1 . 2]" 1
508 1 21 ALA H 1 21 ALA MB . . 3.130 2.244 2.080 2.295 . 0 0 "[ . 1 . 2]" 1
509 1 25 LEU H 1 25 LEU HB2 . . 3.750 2.767 2.630 3.213 . 0 0 "[ . 1 . 2]" 1
510 1 25 LEU H 1 25 LEU HB3 . . 3.750 3.252 2.652 3.501 . 0 0 "[ . 1 . 2]" 1
511 1 25 LEU H 1 25 LEU HG . . 4.470 4.518 4.476 4.574 0.104 15 0 "[ . 1 . 2]" 1
512 1 26 ARG H 1 26 ARG HB2 . . 3.660 2.777 2.424 3.158 . 0 0 "[ . 1 . 2]" 1
513 1 26 ARG H 1 26 ARG HB3 . . 3.660 2.540 2.243 2.839 . 0 0 "[ . 1 . 2]" 1
514 1 26 ARG H 1 26 ARG HG2 . . 5.170 4.472 4.022 4.730 . 0 0 "[ . 1 . 2]" 1
515 1 26 ARG H 1 26 ARG HG3 . . 5.170 4.519 4.422 4.749 . 0 0 "[ . 1 . 2]" 1
516 1 26 ARG H 1 26 ARG HD2 . . 5.500 5.186 4.032 5.757 0.257 6 0 "[ . 1 . 2]" 1
517 1 26 ARG H 1 26 ARG HD3 . . 5.500 5.025 4.369 5.504 0.004 7 0 "[ . 1 . 2]" 1
518 1 27 ILE H 1 27 ILE MG . . 4.230 3.824 3.778 3.876 . 0 0 "[ . 1 . 2]" 1
519 1 27 ILE H 1 27 ILE HG12 . . 3.840 3.694 3.446 3.864 0.024 16 0 "[ . 1 . 2]" 1
520 1 27 ILE H 1 27 ILE HG13 . . 3.840 2.515 2.244 2.794 . 0 0 "[ . 1 . 2]" 1
521 1 27 ILE H 1 27 ILE MD . . 4.160 3.844 3.664 4.075 . 0 0 "[ . 1 . 2]" 1
522 1 28 PHE H 1 28 PHE HB3 . . 3.730 3.566 3.057 3.679 . 0 0 "[ . 1 . 2]" 1
523 1 29 VAL H 1 29 VAL HB . . 3.450 3.047 2.513 3.693 0.243 18 0 "[ . 1 . 2]" 1
524 1 29 VAL H 1 29 VAL MG1 . . 3.910 2.935 1.919 3.905 . 0 0 "[ . 1 . 2]" 1
525 1 29 VAL H 1 29 VAL MG2 . . 3.910 2.955 1.922 3.864 . 0 0 "[ . 1 . 2]" 1
526 1 35 TYR H 1 35 TYR HB2 . . 3.830 2.620 2.428 2.770 . 0 0 "[ . 1 . 2]" 1
527 1 35 TYR H 1 35 TYR HB3 . . 3.830 3.621 3.510 3.841 0.011 19 0 "[ . 1 . 2]" 1
528 1 36 LEU H 1 36 LEU HB2 . . 3.580 2.671 2.545 2.711 . 0 0 "[ . 1 . 2]" 1
529 1 36 LEU H 1 36 LEU HB3 . . 3.580 2.428 2.389 2.510 . 0 0 "[ . 1 . 2]" 1
530 1 36 LEU H 1 36 LEU HG . . 4.410 4.441 4.404 4.622 0.212 15 0 "[ . 1 . 2]" 1
531 1 36 LEU H 1 36 LEU MD2 . . 4.760 4.219 4.010 4.258 . 0 0 "[ . 1 . 2]" 1
532 1 37 ILE H 1 37 ILE HB . . 3.200 2.774 2.739 2.895 . 0 0 "[ . 1 . 2]" 1
533 1 37 ILE H 1 37 ILE MG . . 4.070 3.906 3.894 3.950 . 0 0 "[ . 1 . 2]" 1
534 1 37 ILE H 1 37 ILE HG12 . . 3.410 2.592 2.537 2.632 . 0 0 "[ . 1 . 2]" 1
535 1 37 ILE H 1 37 ILE HG13 . . 3.930 4.015 3.988 4.090 0.160 15 0 "[ . 1 . 2]" 1
536 1 37 ILE H 1 37 ILE MD . . 4.210 3.576 3.485 3.650 . 0 0 "[ . 1 . 2]" 1
537 1 37 ILE HG12 1 38 LYS H . . 5.100 5.155 5.126 5.183 0.083 19 0 "[ . 1 . 2]" 1
538 1 39 ALA H 1 39 ALA MB . . 3.230 2.372 2.298 2.556 . 0 0 "[ . 1 . 2]" 1
539 1 45 LEU H 1 45 LEU HB2 . . 3.810 2.543 2.486 2.611 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU H 1 45 LEU HB3 . . 3.810 3.634 3.608 3.671 . 0 0 "[ . 1 . 2]" 1
541 1 45 LEU H 1 45 LEU HG . . 3.390 2.462 2.353 2.631 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU H 1 45 LEU MD2 . . 4.270 2.989 2.845 3.155 . 0 0 "[ . 1 . 2]" 1
543 1 47 LEU H 1 47 LEU HB2 . . 3.530 2.076 2.043 2.117 . 0 0 "[ . 1 . 2]" 1
544 1 47 LEU H 1 47 LEU HB3 . . 3.530 3.348 3.235 3.428 . 0 0 "[ . 1 . 2]" 1
545 1 47 LEU H 1 47 LEU HG . . 5.290 4.213 3.985 4.466 . 0 0 "[ . 1 . 2]" 1
546 1 48 THR H 1 48 THR HB . . 3.610 2.852 2.518 3.235 . 0 0 "[ . 1 . 2]" 1
547 1 48 THR H 1 48 THR MG . . 4.010 3.396 1.936 3.921 . 0 0 "[ . 1 . 2]" 1
548 1 51 VAL H 1 51 VAL HB . . 3.790 3.621 2.797 3.830 0.040 19 0 "[ . 1 . 2]" 1
549 1 51 VAL H 1 51 VAL MG1 . . 3.840 2.920 2.478 3.892 0.052 1 0 "[ . 1 . 2]" 1
550 1 51 VAL H 1 51 VAL MG2 . . 3.840 2.098 1.952 2.407 . 0 0 "[ . 1 . 2]" 1
551 1 52 PHE H 1 52 PHE HB2 . . 3.920 3.505 2.377 3.785 . 0 0 "[ . 1 . 2]" 1
552 1 52 PHE H 1 52 PHE HB3 . . 3.920 2.699 2.200 3.344 . 0 0 "[ . 1 . 2]" 1
553 1 53 ILE H 1 53 ILE MG . . 3.790 3.349 2.968 3.559 . 0 0 "[ . 1 . 2]" 1
554 1 53 ILE H 1 53 ILE HG13 . . 4.210 2.263 2.156 2.331 . 0 0 "[ . 1 . 2]" 1
555 1 53 ILE H 1 53 ILE HG12 . . 4.210 3.353 3.188 3.523 . 0 0 "[ . 1 . 2]" 1
556 1 56 GLU H 1 56 GLU HG2 . . 3.620 3.416 3.196 3.553 . 0 0 "[ . 1 . 2]" 1
557 1 56 GLU H 1 56 GLU HG3 . . 3.620 2.860 2.417 3.091 . 0 0 "[ . 1 . 2]" 1
558 1 58 VAL HB 1 59 GLN H . . 3.880 3.370 2.806 4.003 0.123 20 0 "[ . 1 . 2]" 1
559 1 59 GLN H 1 59 GLN HG2 . . 5.010 3.883 2.537 4.452 . 0 0 "[ . 1 . 2]" 1
560 1 59 GLN H 1 59 GLN HG3 . . 5.010 4.592 3.302 4.917 . 0 0 "[ . 1 . 2]" 1
561 1 60 SER H 1 60 SER HB2 . . 3.600 2.683 2.134 3.150 . 0 0 "[ . 1 . 2]" 1
562 1 60 SER H 1 60 SER HB3 . . 3.600 3.016 2.164 3.543 . 0 0 "[ . 1 . 2]" 1
563 1 63 ARG H 1 63 ARG HB2 . . 3.990 3.032 2.228 3.807 . 0 0 "[ . 1 . 2]" 1
564 1 63 ARG H 1 63 ARG HB3 . . 3.990 3.287 2.551 3.667 . 0 0 "[ . 1 . 2]" 1
565 1 63 ARG H 1 63 ARG HG2 . . 4.320 3.237 2.194 4.203 . 0 0 "[ . 1 . 2]" 1
566 1 2 CYS H 1 3 VAL H . . 5.500 4.411 4.202 4.530 . 0 0 "[ . 1 . 2]" 1
567 1 7 LEU H 1 8 ASN H . . 4.860 4.499 4.476 4.514 . 0 0 "[ . 1 . 2]" 1
568 1 8 ASN H 1 9 ILE H . . 5.430 4.440 4.387 4.463 . 0 0 "[ . 1 . 2]" 1
569 1 10 ASN H 1 11 GLU H . . 3.440 2.587 2.520 2.715 . 0 0 "[ . 1 . 2]" 1
570 1 11 GLU H 1 12 ALA H . . 3.640 2.699 2.652 2.856 . 0 0 "[ . 1 . 2]" 1
571 1 12 ALA H 1 13 VAL H . . 5.500 4.419 4.283 4.486 . 0 0 "[ . 1 . 2]" 1
572 1 14 ILE H 1 15 ALA H . . 2.910 1.988 1.890 2.037 . 0 0 "[ . 1 . 2]" 1
573 1 15 ALA H 1 16 THR H . . 4.900 4.424 4.402 4.443 . 0 0 "[ . 1 . 2]" 1
574 1 21 ALA H 1 22 GLY H . . 5.500 4.463 4.430 4.542 . 0 0 "[ . 1 . 2]" 1
575 1 22 GLY H 1 23 GLY H . . 3.560 2.592 2.505 2.732 . 0 0 "[ . 1 . 2]" 1
576 1 23 GLY H 1 24 GLU H . . 4.370 4.238 4.071 4.389 0.019 7 0 "[ . 1 . 2]" 1
577 1 25 LEU H 1 26 ARG H . . 4.730 4.383 4.243 4.457 . 0 0 "[ . 1 . 2]" 1
578 1 27 ILE H 1 28 PHE H . . 5.010 4.527 4.410 4.577 . 0 0 "[ . 1 . 2]" 1
579 1 28 PHE H 1 29 VAL H . . 5.500 4.390 4.332 4.479 . 0 0 "[ . 1 . 2]" 1
580 1 34 SER H 1 35 TYR H . . 5.500 4.399 4.294 4.553 . 0 0 "[ . 1 . 2]" 1
581 1 37 ILE H 1 38 LYS H . . 4.230 4.254 4.194 4.301 0.071 4 0 "[ . 1 . 2]" 1
582 1 43 CYS H 1 44 GLY H . . 3.900 2.616 2.592 2.647 . 0 0 "[ . 1 . 2]" 1
583 1 44 GLY H 1 45 LEU H . . 5.460 4.505 4.405 4.595 . 0 0 "[ . 1 . 2]" 1
584 1 46 SER H 1 47 LEU H . . 5.070 4.204 4.111 4.340 . 0 0 "[ . 1 . 2]" 1
585 1 51 VAL H 1 52 PHE H . . 5.410 4.481 4.411 4.547 . 0 0 "[ . 1 . 2]" 1
586 1 55 GLY H 1 56 GLU H . . 3.670 2.661 2.335 2.821 . 0 0 "[ . 1 . 2]" 1
587 1 57 SER H 1 58 VAL H . . 5.250 4.468 4.411 4.498 . 0 0 "[ . 1 . 2]" 1
588 1 58 VAL H 1 59 GLN H . . 5.210 4.466 4.444 4.508 . 0 0 "[ . 1 . 2]" 1
589 1 59 GLN H 1 60 SER H . . 4.480 4.380 4.322 4.415 . 0 0 "[ . 1 . 2]" 1
590 1 60 SER H 1 61 GLY H . . 5.500 4.265 4.176 4.446 . 0 0 "[ . 1 . 2]" 1
591 1 63 ARG H 1 64 CYS H . . 5.500 4.542 4.472 4.607 . 0 0 "[ . 1 . 2]" 1
592 1 2 CYS H 1 19 VAL HB . . 4.330 3.944 3.725 4.104 . 0 0 "[ . 1 . 2]" 1
593 1 2 CYS H 1 21 ALA MB . . 4.790 4.748 4.571 4.798 0.008 19 0 "[ . 1 . 2]" 1
594 1 2 CYS H 1 39 ALA MB . . 5.130 4.064 3.414 4.415 . 0 0 "[ . 1 . 2]" 1
595 1 4 ALA H 1 45 LEU MD2 . . 5.500 4.705 4.363 4.895 . 0 0 "[ . 1 . 2]" 1
596 1 5 ASN H 1 45 LEU MD1 . . 4.820 2.706 2.455 2.955 . 0 0 "[ . 1 . 2]" 1
597 1 5 ASN H 1 45 LEU MD2 . . 4.820 4.696 4.365 4.868 0.048 12 0 "[ . 1 . 2]" 1
598 1 5 ASN H 1 59 GLN HB3 . . 5.000 4.779 4.280 5.027 0.027 12 0 "[ . 1 . 2]" 1
599 1 5 ASN H 1 61 GLY HA2 . . 5.500 5.510 5.347 5.538 0.038 8 0 "[ . 1 . 2]" 1
600 1 6 ILE H 1 15 ALA MB . . 3.980 2.806 2.581 3.019 . 0 0 "[ . 1 . 2]" 1
601 1 7 LEU H 1 15 ALA MB . . 5.500 5.248 5.110 5.349 . 0 0 "[ . 1 . 2]" 1
602 1 7 LEU H 1 57 SER HA . . 5.500 4.636 4.571 4.694 . 0 0 "[ . 1 . 2]" 1
603 1 8 ASN H 1 14 ILE MD . . 4.020 3.026 2.851 3.188 . 0 0 "[ . 1 . 2]" 1
604 1 9 ILE H 1 9 ILE MD . . 4.660 4.072 2.856 4.361 . 0 0 "[ . 1 . 2]" 1
605 1 10 ASN H 1 11 GLU HG2 . . 5.500 5.517 5.502 5.560 0.060 19 0 "[ . 1 . 2]" 1
606 1 10 ASN H 1 11 GLU HG3 . . 5.500 5.509 5.492 5.528 0.028 19 0 "[ . 1 . 2]" 1
607 1 10 ASN H 1 12 ALA MB . . 5.070 3.990 3.855 4.391 . 0 0 "[ . 1 . 2]" 1
608 1 7 LEU MD1 1 11 GLU H . . 5.500 5.197 5.057 5.371 . 0 0 "[ . 1 . 2]" 1
609 1 12 ALA H 1 14 ILE MG . . 5.000 4.234 4.067 4.511 . 0 0 "[ . 1 . 2]" 1
610 1 12 ALA H 1 14 ILE MD . . 5.000 5.037 4.838 5.084 0.084 11 0 "[ . 1 . 2]" 1
611 1 7 LEU MD2 1 12 ALA H . . 5.500 3.804 3.389 3.941 . 0 0 "[ . 1 . 2]" 1
612 1 3 VAL H 1 64 CYS HA . . 5.500 5.492 5.305 5.547 0.047 16 0 "[ . 1 . 2]" 1
613 1 3 VAL H 1 18 CYS HA . . 5.380 5.162 5.003 5.351 . 0 0 "[ . 1 . 2]" 1
614 1 2 CYS H 1 20 PRO HA . . 4.450 3.669 3.473 4.352 . 0 0 "[ . 1 . 2]" 1
615 1 6 ILE H 1 15 ALA HA . . 5.440 4.502 4.352 4.569 . 0 0 "[ . 1 . 2]" 1
616 1 7 LEU H 1 56 GLU HA . . 4.910 4.420 4.281 4.632 . 0 0 "[ . 1 . 2]" 1
617 1 7 LEU H 1 13 VAL HA . . 5.500 4.657 4.517 4.720 . 0 0 "[ . 1 . 2]" 1
618 1 7 LEU H 1 11 GLU HA . . 5.500 5.380 5.321 5.481 . 0 0 "[ . 1 . 2]" 1
619 1 9 ILE H 1 56 GLU HA . . 5.500 4.481 4.056 4.795 . 0 0 "[ . 1 . 2]" 1
620 1 8 ASN HA 1 12 ALA H . . 5.000 4.701 4.470 4.860 . 0 0 "[ . 1 . 2]" 1
621 1 8 ASN H 1 12 ALA H . . 3.850 2.391 1.976 2.588 . 0 0 "[ . 1 . 2]" 1
622 1 7 LEU H 1 58 VAL H . . 5.500 4.811 4.684 4.979 . 0 0 "[ . 1 . 2]" 1
623 1 6 ILE H 1 16 THR H . . 5.010 4.515 4.390 4.629 . 0 0 "[ . 1 . 2]" 1
624 1 6 ILE H 1 15 ALA H . . 3.670 2.965 2.850 3.076 . 0 0 "[ . 1 . 2]" 1
625 1 5 ASN H 1 61 GLY H . . 4.850 3.501 3.375 3.727 . 0 0 "[ . 1 . 2]" 1
626 1 4 ALA H 1 17 GLY H . . 3.790 3.389 3.239 3.501 . 0 0 "[ . 1 . 2]" 1
627 1 3 VAL H 1 61 GLY H . . 5.100 4.277 4.035 4.640 . 0 0 "[ . 1 . 2]" 1
628 1 3 VAL H 1 62 GLY H . . 5.500 3.054 2.775 3.797 . 0 0 "[ . 1 . 2]" 1
629 1 2 CYS H 1 19 VAL H . . 4.040 3.791 3.622 4.052 0.012 10 0 "[ . 1 . 2]" 1
630 1 10 ASN H 1 12 ALA H . . 4.620 3.407 3.241 4.137 . 0 0 "[ . 1 . 2]" 1
631 1 8 ASN H 1 14 ILE H . . 4.700 3.991 3.854 4.230 . 0 0 "[ . 1 . 2]" 1
632 1 6 ILE H 1 14 ILE H . . 4.550 4.137 4.028 4.314 . 0 0 "[ . 1 . 2]" 1
633 1 6 ILE H 1 17 GLY H . . 5.500 5.237 4.975 5.444 . 0 0 "[ . 1 . 2]" 1
634 1 2 CYS H 1 21 ALA H . . 5.390 4.792 4.274 5.010 . 0 0 "[ . 1 . 2]" 1
635 1 22 GLY H 1 39 ALA H . . 5.500 4.765 4.562 4.937 . 0 0 "[ . 1 . 2]" 1
636 1 23 GLY H 1 39 ALA H . . 4.690 3.734 3.515 4.174 . 0 0 "[ . 1 . 2]" 1
637 1 25 LEU H 1 37 ILE H . . 3.540 2.887 2.525 3.044 . 0 0 "[ . 1 . 2]" 1
638 1 7 LEU MD1 1 13 VAL H . . 5.500 5.267 5.173 5.420 . 0 0 "[ . 1 . 2]" 1
639 1 14 ILE H 1 15 ALA MB . . 4.770 4.023 3.980 4.072 . 0 0 "[ . 1 . 2]" 1
640 1 6 ILE HG13 1 15 ALA H . . 5.170 4.984 4.856 5.057 . 0 0 "[ . 1 . 2]" 1
641 1 13 VAL HA 1 15 ALA H . . 3.730 3.464 3.399 3.552 . 0 0 "[ . 1 . 2]" 1
642 1 16 THR H 1 27 ILE MD . . 4.020 4.028 3.947 4.061 0.041 12 0 "[ . 1 . 2]" 1
643 1 17 GLY H 1 27 ILE MD . . 3.400 2.768 2.354 2.971 . 0 0 "[ . 1 . 2]" 1
644 1 15 ALA MB 1 17 GLY H . . 5.500 5.295 4.889 5.439 . 0 0 "[ . 1 . 2]" 1
645 1 18 CYS H 1 27 ILE MD . . 4.480 4.419 3.538 4.515 0.035 12 0 "[ . 1 . 2]" 1
646 1 19 VAL H 1 20 PRO HD3 . . 5.260 4.723 4.616 4.832 . 0 0 "[ . 1 . 2]" 1
647 1 19 VAL H 1 20 PRO HD2 . . 5.260 4.816 4.787 4.837 . 0 0 "[ . 1 . 2]" 1
648 1 3 VAL HA 1 19 VAL H . . 4.000 2.653 2.465 3.040 . 0 0 "[ . 1 . 2]" 1
649 1 16 THR H 1 29 VAL HA . . 5.500 5.427 5.043 5.529 0.029 11 0 "[ . 1 . 2]" 1
650 1 22 GLY H 1 39 ALA MB . . 3.610 3.062 2.817 3.370 . 0 0 "[ . 1 . 2]" 1
651 1 25 LEU H 1 36 LEU HG . . 4.530 4.451 4.106 4.695 0.165 15 0 "[ . 1 . 2]" 1
652 1 25 LEU H 1 37 ILE HB . . 4.190 3.530 3.342 3.892 . 0 0 "[ . 1 . 2]" 1
653 1 7 LEU HA 1 14 ILE H . . 3.740 2.454 2.268 2.584 . 0 0 "[ . 1 . 2]" 1
654 1 6 ILE HA 1 15 ALA H . . 5.500 4.723 4.697 4.782 . 0 0 "[ . 1 . 2]" 1
655 1 5 ASN HA 1 15 ALA H . . 4.860 4.839 4.726 4.916 0.056 15 0 "[ . 1 . 2]" 1
656 1 15 ALA H 1 16 THR HA . . 5.320 4.879 4.830 4.918 . 0 0 "[ . 1 . 2]" 1
657 1 5 ASN HA 1 16 THR H . . 5.500 4.670 4.418 4.773 . 0 0 "[ . 1 . 2]" 1
658 1 17 GLY H 1 18 CYS HA . . 5.130 4.652 4.636 4.699 . 0 0 "[ . 1 . 2]" 1
659 1 5 ASN HA 1 17 GLY H . . 4.420 3.443 3.236 3.555 . 0 0 "[ . 1 . 2]" 1
660 1 22 GLY H 1 40 THR HA . . 4.770 4.324 3.674 4.789 0.019 10 0 "[ . 1 . 2]" 1
661 1 22 GLY H 1 39 ALA HA . . 5.500 5.244 5.026 5.500 . 0 0 "[ . 1 . 2]" 1
662 1 19 VAL HA 1 25 LEU H . . 5.220 4.420 3.769 5.128 . 0 0 "[ . 1 . 2]" 1
663 1 27 ILE H 1 37 ILE HB . . 5.500 5.246 4.986 5.520 0.020 4 0 "[ . 1 . 2]" 1
664 1 15 ALA MB 1 28 PHE H . . 5.240 3.722 3.627 3.884 . 0 0 "[ . 1 . 2]" 1
665 1 27 ILE HB 1 35 TYR H . . 4.250 3.549 3.308 3.743 . 0 0 "[ . 1 . 2]" 1
666 1 15 ALA MB 1 35 TYR H . . 5.500 5.090 4.777 5.316 . 0 0 "[ . 1 . 2]" 1
667 1 6 ILE MG 1 35 TYR H . . 5.500 5.222 4.856 5.377 . 0 0 "[ . 1 . 2]" 1
668 1 6 ILE MD 1 35 TYR H . . 4.280 4.278 4.057 4.324 0.044 17 0 "[ . 1 . 2]" 1
669 1 36 LEU H 1 37 ILE MD . . 5.160 4.179 4.003 4.374 . 0 0 "[ . 1 . 2]" 1
670 1 15 ALA HA 1 28 PHE H . . 5.500 5.574 5.545 5.603 0.103 8 0 "[ . 1 . 2]" 1
671 1 28 PHE HA 1 34 SER H . . 5.500 4.786 4.389 5.036 . 0 0 "[ . 1 . 2]" 1
672 1 26 ARG HA 1 35 TYR H . . 4.810 4.270 3.963 4.511 . 0 0 "[ . 1 . 2]" 1
673 1 28 PHE HA 1 35 TYR H . . 4.320 3.991 3.644 4.159 . 0 0 "[ . 1 . 2]" 1
674 1 27 ILE HA 1 35 TYR H . . 5.500 4.717 4.582 4.791 . 0 0 "[ . 1 . 2]" 1
675 1 26 ARG HA 1 36 LEU H . . 4.920 4.270 4.115 4.412 . 0 0 "[ . 1 . 2]" 1
676 1 26 ARG HA 1 37 ILE H . . 3.700 3.167 2.976 3.409 . 0 0 "[ . 1 . 2]" 1
677 1 27 ILE H 1 37 ILE H . . 4.600 4.162 3.951 4.499 . 0 0 "[ . 1 . 2]" 1
678 1 27 ILE H 1 35 TYR H . . 3.540 2.933 2.623 3.185 . 0 0 "[ . 1 . 2]" 1
679 1 39 ALA MB 1 45 LEU H . . 5.500 5.355 5.038 5.528 0.028 14 0 "[ . 1 . 2]" 1
680 1 37 ILE MD 1 47 LEU H . . 5.350 4.472 4.109 4.821 . 0 0 "[ . 1 . 2]" 1
681 1 37 ILE MD 1 48 THR H . . 5.310 5.255 4.954 5.351 0.041 11 0 "[ . 1 . 2]" 1
682 1 40 THR MG 1 44 GLY H . . 3.960 2.995 1.800 3.995 0.035 1 0 "[ . 1 . 2]" 1
683 1 40 THR MG 1 43 CYS H . . 4.540 4.140 2.617 4.689 0.149 14 0 "[ . 1 . 2]" 1
684 1 47 LEU H 1 48 THR HA . . 5.500 5.468 5.336 5.523 0.023 5 0 "[ . 1 . 2]" 1
685 1 40 THR H 1 44 GLY HA2 . . 5.330 4.348 4.220 4.685 . 0 0 "[ . 1 . 2]" 1
686 1 42 SER HA 1 44 GLY H . . 5.500 4.368 4.244 4.641 . 0 0 "[ . 1 . 2]" 1
687 1 40 THR HB 1 44 GLY H . . 5.300 3.717 2.266 4.438 . 0 0 "[ . 1 . 2]" 1
688 1 38 LYS H 1 45 LEU HA . . 4.790 4.159 3.931 4.445 . 0 0 "[ . 1 . 2]" 1
689 1 40 THR H 1 44 GLY H . . 3.980 2.770 2.497 3.103 . 0 0 "[ . 1 . 2]" 1
690 1 42 SER H 1 44 GLY H . . 5.480 3.140 3.053 3.278 . 0 0 "[ . 1 . 2]" 1
691 1 40 THR H 1 43 CYS H . . 5.190 3.983 3.874 4.091 . 0 0 "[ . 1 . 2]" 1
692 1 48 THR H 1 50 GLN H . . 5.250 3.581 3.116 4.059 . 0 0 "[ . 1 . 2]" 1
693 1 53 ILE H 1 56 GLU H . . 5.500 3.281 2.749 3.856 . 0 0 "[ . 1 . 2]" 1
694 1 7 LEU H 1 57 SER H . . 3.660 2.806 2.630 2.936 . 0 0 "[ . 1 . 2]" 1
695 1 5 ASN H 1 59 GLN H . . 3.730 2.812 2.658 2.946 . 0 0 "[ . 1 . 2]" 1
696 1 7 LEU H 1 59 GLN H . . 5.400 4.753 4.600 4.959 . 0 0 "[ . 1 . 2]" 1
697 1 47 LEU HB2 1 50 GLN H . . 4.520 4.173 3.796 4.526 0.006 19 0 "[ . 1 . 2]" 1
698 1 55 GLY H 1 56 GLU HG3 . . 5.500 4.657 4.353 4.894 . 0 0 "[ . 1 . 2]" 1
699 1 55 GLY H 1 56 GLU HG2 . . 5.500 5.502 5.302 5.557 0.057 13 0 "[ . 1 . 2]" 1
700 1 53 ILE MG 1 55 GLY H . . 4.920 4.873 4.669 5.019 0.099 20 0 "[ . 1 . 2]" 1
701 1 6 ILE MG 1 56 GLU H . . 5.500 5.507 5.273 5.584 0.084 6 0 "[ . 1 . 2]" 1
702 1 7 LEU HB3 1 57 SER H . . 5.100 4.649 4.451 4.830 . 0 0 "[ . 1 . 2]" 1
703 1 7 LEU HB2 1 57 SER H . . 5.100 3.149 2.937 3.309 . 0 0 "[ . 1 . 2]" 1
704 1 6 ILE MG 1 57 SER H . . 4.030 3.298 3.111 3.480 . 0 0 "[ . 1 . 2]" 1
705 1 14 ILE MD 1 57 SER H . . 4.900 4.556 4.444 4.625 . 0 0 "[ . 1 . 2]" 1
706 1 6 ILE MD 1 57 SER H . . 5.500 4.727 4.575 4.842 . 0 0 "[ . 1 . 2]" 1
707 1 7 LEU MD1 1 57 SER H . . 5.500 3.738 3.491 3.952 . 0 0 "[ . 1 . 2]" 1
708 1 7 LEU MD2 1 57 SER H . . 5.500 5.503 5.333 5.546 0.046 5 0 "[ . 1 . 2]" 1
709 1 37 ILE MD 1 58 VAL H . . 5.500 5.134 4.978 5.502 0.002 15 0 "[ . 1 . 2]" 1
710 1 7 LEU MD1 1 59 GLN H . . 5.040 3.275 3.181 3.449 . 0 0 "[ . 1 . 2]" 1
711 1 7 LEU MD2 1 59 GLN H . . 5.040 5.056 5.043 5.090 0.050 12 0 "[ . 1 . 2]" 1
712 1 3 VAL MG1 1 61 GLY H . . 4.660 2.643 2.391 2.812 . 0 0 "[ . 1 . 2]" 1
713 1 3 VAL MG2 1 61 GLY H . . 4.660 4.447 4.228 4.664 0.004 19 0 "[ . 1 . 2]" 1
714 1 8 ASN HA 1 57 SER H . . 4.900 4.112 4.031 4.245 . 0 0 "[ . 1 . 2]" 1
715 1 57 SER H 1 58 VAL HA . . 5.500 4.880 4.729 4.953 . 0 0 "[ . 1 . 2]" 1
716 1 52 PHE HA 1 56 GLU H . . 5.500 5.384 4.954 5.527 0.027 17 0 "[ . 1 . 2]" 1
717 1 54 ASN HA 1 56 GLU H . . 5.500 4.593 4.379 4.755 . 0 0 "[ . 1 . 2]" 1
718 1 53 ILE HA 1 56 GLU H . . 5.020 4.170 3.991 4.449 . 0 0 "[ . 1 . 2]" 1
719 1 8 ASN HA 1 56 GLU H . . 5.370 5.033 4.736 5.283 . 0 0 "[ . 1 . 2]" 1
720 1 53 ILE HA 1 55 GLY H . . 4.650 3.208 3.082 3.317 . 0 0 "[ . 1 . 2]" 1
721 1 6 ILE HA 1 58 VAL H . . 5.500 4.997 4.851 5.132 . 0 0 "[ . 1 . 2]" 1
722 1 59 GLN H 1 60 SER HA . . 4.800 4.810 4.727 4.845 0.045 18 0 "[ . 1 . 2]" 1
723 1 3 VAL HB 1 62 GLY H . . 5.000 2.256 2.104 2.614 . 0 0 "[ . 1 . 2]" 1
724 1 3 VAL MG1 1 62 GLY H . . 4.910 3.648 3.362 3.857 . 0 0 "[ . 1 . 2]" 1
725 1 1 ASN HA 1 64 CYS H . . 5.500 4.859 4.022 5.447 . 0 0 "[ . 1 . 2]" 1
726 1 3 VAL H 1 64 CYS H . . 5.150 4.576 3.977 5.061 . 0 0 "[ . 1 . 2]" 1
727 1 8 ASN H 1 10 ASN H . . 5.500 4.180 4.032 4.527 . 0 0 "[ . 1 . 2]" 1
728 1 52 PHE QE 1 53 ILE H . . 4.490 4.553 4.127 4.632 0.142 11 0 "[ . 1 . 2]" 1
729 1 3 VAL MG2 1 62 GLY H . . 4.910 3.564 3.421 3.835 . 0 0 "[ . 1 . 2]" 1
730 1 37 ILE MG 1 46 SER H . . 3.770 2.413 2.223 2.637 . 0 0 "[ . 1 . 2]" 1
731 1 48 THR HB 1 50 GLN H . . 5.320 5.103 4.640 5.385 0.065 10 0 "[ . 1 . 2]" 1
732 1 23 GLY H 1 39 ALA MB . . 3.950 3.071 2.639 3.509 . 0 0 "[ . 1 . 2]" 1
733 1 7 LEU HA 1 11 GLU H . . 5.500 5.538 5.492 5.569 0.069 11 0 "[ . 1 . 2]" 1
734 1 2 CYS H 1 2 CYS HB2 . . 3.940 2.738 2.433 2.919 . 0 0 "[ . 1 . 2]" 1
735 1 3 VAL H 1 63 ARG HA . . 3.850 3.548 2.704 3.859 0.009 10 0 "[ . 1 . 2]" 1
736 1 4 ALA H 1 18 CYS HA . . 4.050 2.841 2.483 3.085 . 0 0 "[ . 1 . 2]" 1
737 1 5 ASN HA 1 6 ILE H . . 2.860 2.225 2.172 2.298 . 0 0 "[ . 1 . 2]" 1
738 1 6 ILE H 1 16 THR HA . . 3.840 3.391 3.138 3.669 . 0 0 "[ . 1 . 2]" 1
739 1 4 ALA H 1 16 THR HA . . 5.310 5.213 4.998 5.335 0.025 11 0 "[ . 1 . 2]" 1
740 1 4 ALA H 1 4 ALA MB . . 3.230 2.418 2.345 2.537 . 0 0 "[ . 1 . 2]" 1
741 1 4 ALA MB 1 5 ASN H . . 3.580 3.087 2.924 3.208 . 0 0 "[ . 1 . 2]" 1
742 1 4 ALA H 1 45 LEU MD1 . . 5.500 4.319 4.156 4.668 . 0 0 "[ . 1 . 2]" 1
743 1 7 LEU H 1 58 VAL HA . . 3.740 3.489 3.317 3.667 . 0 0 "[ . 1 . 2]" 1
744 1 1 ASN HA 1 21 ALA H . . 3.580 3.530 3.247 3.592 0.012 18 0 "[ . 1 . 2]" 1
745 1 24 GLU HA 1 25 LEU H . . 2.920 2.257 2.198 2.487 . 0 0 "[ . 1 . 2]" 1
746 1 25 LEU HA 1 26 ARG H . . 2.990 2.255 2.205 2.288 . 0 0 "[ . 1 . 2]" 1
747 1 25 LEU H 1 36 LEU HA . . 4.620 4.515 4.154 4.635 0.015 4 0 "[ . 1 . 2]" 1
748 1 28 PHE H 1 28 PHE HB2 . . 3.730 2.871 2.702 3.604 . 0 0 "[ . 1 . 2]" 1
749 1 27 ILE HA 1 28 PHE H . . 3.080 2.242 2.185 2.308 . 0 0 "[ . 1 . 2]" 1
750 1 32 SER HB2 1 33 HIS H . . 4.610 3.925 2.000 4.550 . 0 0 "[ . 1 . 2]" 1
751 1 34 SER HB2 1 35 TYR H . . 3.780 2.736 2.109 3.419 . 0 0 "[ . 1 . 2]" 1
752 1 7 LEU HA 1 8 ASN H . . 2.840 2.320 2.296 2.338 . 0 0 "[ . 1 . 2]" 1
753 1 7 LEU HA 1 13 VAL H . . 5.480 4.238 4.128 4.330 . 0 0 "[ . 1 . 2]" 1
754 1 7 LEU HA 1 12 ALA H . . 4.960 3.992 3.411 4.186 . 0 0 "[ . 1 . 2]" 1
755 1 7 LEU MD2 1 11 GLU H . . 5.500 4.927 4.864 4.989 . 0 0 "[ . 1 . 2]" 1
756 1 7 LEU MD2 1 13 VAL H . . 5.500 2.499 2.416 2.643 . 0 0 "[ . 1 . 2]" 1
757 1 7 LEU MD2 1 14 ILE H . . 5.500 4.118 4.050 4.340 . 0 0 "[ . 1 . 2]" 1
758 1 7 LEU MD1 1 14 ILE H . . 5.500 5.502 5.339 5.558 0.058 20 0 "[ . 1 . 2]" 1
759 1 9 ILE H 1 9 ILE HG12 . . 4.730 4.189 2.147 4.673 . 0 0 "[ . 1 . 2]" 1
760 1 9 ILE H 1 9 ILE HG13 . . 4.730 4.157 2.252 4.467 . 0 0 "[ . 1 . 2]" 1
761 1 16 THR HA 1 17 GLY H . . 2.970 2.276 2.154 2.326 . 0 0 "[ . 1 . 2]" 1
762 1 27 ILE H 1 27 ILE HB . . 3.460 2.593 2.483 2.714 . 0 0 "[ . 1 . 2]" 1
763 1 28 PHE HB3 1 29 VAL H . . 4.050 3.677 3.454 4.145 0.095 18 0 "[ . 1 . 2]" 1
764 1 21 ALA H 1 39 ALA MB . . 5.110 5.076 4.859 5.134 0.024 14 0 "[ . 1 . 2]" 1
765 1 2 CYS H 1 64 CYS H . . 5.500 4.286 3.598 5.172 . 0 0 "[ . 1 . 2]" 1
766 1 2 CYS HA 1 64 CYS H . . 4.420 3.462 2.570 4.365 . 0 0 "[ . 1 . 2]" 1
767 1 2 CYS H 1 21 ALA HA . . 5.500 4.499 4.291 4.678 . 0 0 "[ . 1 . 2]" 1
768 1 17 GLY HA2 1 18 CYS H . . 3.360 2.483 2.407 2.615 . 0 0 "[ . 1 . 2]" 1
769 1 63 ARG H 1 63 ARG HG3 . . 4.320 3.304 2.244 3.907 . 0 0 "[ . 1 . 2]" 1
770 1 63 ARG HG3 1 64 CYS H . . 4.920 4.620 4.024 4.947 0.027 16 0 "[ . 1 . 2]" 1
771 1 63 ARG HG2 1 64 CYS H . . 4.920 4.496 3.779 4.924 0.004 7 0 "[ . 1 . 2]" 1
772 1 5 ASN H 1 59 GLN HB2 . . 5.000 4.486 4.203 5.017 0.017 12 0 "[ . 1 . 2]" 1
773 1 6 ILE H 1 13 VAL MG1 . . 4.280 3.696 3.615 3.767 . 0 0 "[ . 1 . 2]" 1
774 1 6 ILE H 1 13 VAL MG2 . . 4.280 4.397 4.371 4.434 0.154 14 0 "[ . 1 . 2]" 1
775 1 7 LEU H 1 14 ILE MD . . 4.180 4.221 4.179 4.264 0.084 6 0 "[ . 1 . 2]" 1
776 1 7 LEU HG 1 8 ASN H . . 5.500 4.770 4.753 4.803 . 0 0 "[ . 1 . 2]" 1
777 1 8 ASN H 1 14 ILE MG . . 3.860 2.833 2.700 3.046 . 0 0 "[ . 1 . 2]" 1
778 1 8 ASN H 1 11 GLU HA . . 4.370 3.818 3.677 3.934 . 0 0 "[ . 1 . 2]" 1
779 1 8 ASN H 1 11 GLU H . . 4.720 3.859 3.740 3.920 . 0 0 "[ . 1 . 2]" 1
780 1 7 LEU H 1 14 ILE H . . 5.500 4.514 4.380 4.601 . 0 0 "[ . 1 . 2]" 1
781 1 9 ILE MG 1 11 GLU H . . 4.940 4.283 4.090 4.456 . 0 0 "[ . 1 . 2]" 1
782 1 9 ILE HA 1 11 GLU H . . 4.570 3.545 3.509 3.560 . 0 0 "[ . 1 . 2]" 1
783 1 7 LEU MD1 1 12 ALA H . . 5.500 5.151 4.771 5.313 . 0 0 "[ . 1 . 2]" 1
784 1 7 LEU HA 1 15 ALA H . . 4.860 4.075 3.954 4.138 . 0 0 "[ . 1 . 2]" 1
785 1 29 VAL H 1 34 SER HA . . 3.980 2.187 1.941 2.551 . 0 0 "[ . 1 . 2]" 1
786 1 21 ALA MB 1 23 GLY H . . 5.310 4.404 4.262 4.580 . 0 0 "[ . 1 . 2]" 1
787 1 21 ALA HA 1 23 GLY H . . 4.200 3.548 3.460 3.650 . 0 0 "[ . 1 . 2]" 1
788 1 25 LEU H 1 38 LYS HA . . 4.010 3.668 3.348 3.741 . 0 0 "[ . 1 . 2]" 1
789 1 29 VAL H 1 33 HIS H . . 4.820 4.125 3.532 4.561 . 0 0 "[ . 1 . 2]" 1
790 1 6 ILE HA 1 59 GLN H . . 4.400 3.646 3.560 3.790 . 0 0 "[ . 1 . 2]" 1
791 1 48 THR HA 1 50 GLN H . . 4.900 3.975 3.574 4.283 . 0 0 "[ . 1 . 2]" 1
792 1 47 LEU HB3 1 50 GLN H . . 4.520 2.680 2.407 2.970 . 0 0 "[ . 1 . 2]" 1
793 1 48 THR MG 1 50 GLN H . . 5.500 4.599 3.605 5.214 . 0 0 "[ . 1 . 2]" 1
794 1 47 LEU HG 1 50 GLN H . . 4.930 4.661 4.045 4.939 0.009 20 0 "[ . 1 . 2]" 1
795 1 24 GLU HA 1 39 ALA H . . 3.850 3.067 2.791 3.521 . 0 0 "[ . 1 . 2]" 1
796 1 24 GLU HA 1 37 ILE H . . 5.370 4.582 4.377 4.863 . 0 0 "[ . 1 . 2]" 1
797 1 45 LEU H 1 45 LEU MD1 . . 4.270 3.912 3.838 4.003 . 0 0 "[ . 1 . 2]" 1
798 1 40 THR H 1 43 CYS HA . . 4.710 3.767 3.596 4.076 . 0 0 "[ . 1 . 2]" 1
799 1 40 THR H 1 45 LEU HA . . 4.170 4.088 3.883 4.220 0.050 10 0 "[ . 1 . 2]" 1
800 1 39 ALA HA 1 43 CYS H . . 5.500 5.212 5.088 5.289 . 0 0 "[ . 1 . 2]" 1
801 1 40 THR HB 1 43 CYS H . . 5.500 4.678 3.545 5.303 . 0 0 "[ . 1 . 2]" 1
802 1 39 ALA HA 1 44 GLY H . . 5.330 4.256 4.074 4.432 . 0 0 "[ . 1 . 2]" 1
803 1 40 THR H 1 44 GLY HA3 . . 5.330 3.537 3.308 3.877 . 0 0 "[ . 1 . 2]" 1
804 1 39 ALA MB 1 44 GLY H . . 4.460 4.403 4.179 4.539 0.079 7 0 "[ . 1 . 2]" 1
805 1 39 ALA MB 1 43 CYS H . . 4.260 4.170 3.969 4.308 0.048 7 0 "[ . 1 . 2]" 1
806 1 39 ALA MB 1 46 SER H . . 5.300 5.330 5.263 5.388 0.088 2 0 "[ . 1 . 2]" 1
807 1 28 PHE HB2 1 30 GLY H . . 5.500 4.677 2.621 5.508 0.008 7 0 "[ . 1 . 2]" 1
808 1 28 PHE HB3 1 30 GLY H . . 5.500 4.975 3.082 5.543 0.043 14 0 "[ . 1 . 2]" 1
809 1 15 ALA MB 1 30 GLY H . . 4.480 3.987 3.628 4.451 . 0 0 "[ . 1 . 2]" 1
810 1 15 ALA MB 1 29 VAL H . . 5.500 3.896 3.693 4.069 . 0 0 "[ . 1 . 2]" 1
811 1 27 ILE H 1 34 SER HB2 . . 4.880 4.058 2.898 4.698 . 0 0 "[ . 1 . 2]" 1
812 1 4 ALA MB 1 18 CYS H . . 5.100 4.510 4.133 4.842 . 0 0 "[ . 1 . 2]" 1
813 1 4 ALA MB 1 19 VAL H . . 4.420 3.917 3.581 4.167 . 0 0 "[ . 1 . 2]" 1
814 1 45 LEU MD1 1 46 SER H . . 4.460 4.506 4.472 4.555 0.095 1 0 "[ . 1 . 2]" 1
815 1 35 TYR H 1 35 TYR QD . . 4.440 4.016 3.134 4.218 . 0 0 "[ . 1 . 2]" 1
816 1 28 PHE H 1 28 PHE QD . . 3.520 2.831 2.499 3.091 . 0 0 "[ . 1 . 2]" 1
817 1 5 ASN HD21 1 61 GLY HA3 . . 5.480 3.565 2.715 4.357 . 0 0 "[ . 1 . 2]" 1
818 1 5 ASN HD22 1 61 GLY HA3 . . 5.480 3.115 2.393 4.175 . 0 0 "[ . 1 . 2]" 1
819 1 5 ASN HD22 1 61 GLY HA2 . . 5.480 3.493 2.859 4.633 . 0 0 "[ . 1 . 2]" 1
820 1 5 ASN HD22 1 13 VAL MG2 . . 5.500 3.872 3.728 4.023 . 0 0 "[ . 1 . 2]" 1
821 1 5 ASN HD22 1 13 VAL MG1 . . 5.500 3.721 3.324 3.882 . 0 0 "[ . 1 . 2]" 1
822 1 5 ASN HD21 1 61 GLY HA2 . . 5.480 3.243 2.297 4.220 . 0 0 "[ . 1 . 2]" 1
823 1 5 ASN HD21 1 13 VAL MG1 . . 5.500 3.536 2.816 3.989 . 0 0 "[ . 1 . 2]" 1
824 1 5 ASN HD21 1 13 VAL MG2 . . 5.500 2.935 2.583 3.324 . 0 0 "[ . 1 . 2]" 1
825 1 5 ASN H 1 61 GLY HA3 . . 5.500 5.026 4.839 5.137 . 0 0 "[ . 1 . 2]" 1
826 1 5 ASN H 1 5 ASN HD22 . . 5.500 5.500 5.432 5.544 0.044 12 0 "[ . 1 . 2]" 1
827 1 5 ASN H 1 5 ASN HD21 . . 5.500 4.919 4.773 5.109 . 0 0 "[ . 1 . 2]" 1
828 1 8 ASN HD21 1 12 ALA MB . . 4.400 3.085 2.175 3.873 . 0 0 "[ . 1 . 2]" 1
829 1 8 ASN HD21 1 14 ILE MG . . 4.600 2.698 2.350 4.329 . 0 0 "[ . 1 . 2]" 1
830 1 8 ASN HD21 1 14 ILE MD . . 5.500 3.912 3.663 4.775 . 0 0 "[ . 1 . 2]" 1
831 1 8 ASN HD22 1 12 ALA MB . . 4.400 2.053 1.850 2.868 . 0 0 "[ . 1 . 2]" 1
832 1 8 ASN HD22 1 14 ILE MG . . 4.600 3.486 3.230 4.024 . 0 0 "[ . 1 . 2]" 1
833 1 8 ASN HD22 1 14 ILE MD . . 5.500 4.966 4.811 5.228 . 0 0 "[ . 1 . 2]" 1
834 1 9 ILE H 1 11 GLU H . . 5.500 4.199 4.020 4.250 . 0 0 "[ . 1 . 2]" 1
835 1 8 ASN H 1 8 ASN HD21 . . 5.500 3.746 1.862 4.549 . 0 0 "[ . 1 . 2]" 1
836 1 8 ASN H 1 8 ASN HD22 . . 5.500 3.948 3.151 4.537 . 0 0 "[ . 1 . 2]" 1
837 1 35 TYR QD 1 36 LEU H . . 4.480 2.955 2.602 4.155 . 0 0 "[ . 1 . 2]" 1
838 1 60 SER HB2 1 62 GLY H . . 5.310 4.135 2.851 4.714 . 0 0 "[ . 1 . 2]" 1
839 1 60 SER HB3 1 62 GLY H . . 5.310 3.649 3.198 4.423 . 0 0 "[ . 1 . 2]" 1
840 1 36 LEU H 1 36 LEU MD1 . . 4.760 4.112 4.026 4.158 . 0 0 "[ . 1 . 2]" 1
841 1 56 GLU HB2 1 57 SER H . . 5.500 4.199 3.618 4.439 . 0 0 "[ . 1 . 2]" 1
842 1 56 GLU HB3 1 57 SER H . . 5.500 3.154 2.441 3.501 . 0 0 "[ . 1 . 2]" 1
843 1 58 VAL H 1 58 VAL HB . . 3.870 3.339 2.718 3.828 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 6
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 20.757
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0189
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.0253
_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 2 CYS 1.000 0.089 1 0 "[ . 1 . 2]"
1 18 CYS 0.038 0.009 8 0 "[ . 1 . 2]"
1 43 CYS 1.000 0.089 1 0 "[ . 1 . 2]"
1 64 CYS 0.038 0.009 8 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 CYS SG 1 43 CYS SG . . 2.100 1.945 1.855 2.105 0.005 3 0 "[ . 1 . 2]" 2
2 1 2 CYS SG 1 43 CYS CB . . 3.100 3.105 2.972 3.189 0.089 1 0 "[ . 1 . 2]" 2
3 1 2 CYS CB 1 43 CYS SG . . 3.100 3.082 2.977 3.126 0.026 1 0 "[ . 1 . 2]" 2
4 1 18 CYS SG 1 64 CYS SG . . 2.100 2.017 1.984 2.103 0.003 5 0 "[ . 1 . 2]" 2
5 1 18 CYS SG 1 64 CYS CB . . 3.100 3.075 2.995 3.105 0.005 6 0 "[ . 1 . 2]" 2
6 1 18 CYS CB 1 64 CYS SG . . 3.100 3.079 2.995 3.109 0.009 8 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 468
_Distance_constraint_stats_list.Viol_count 437
_Distance_constraint_stats_list.Viol_total 245.913
_Distance_constraint_stats_list.Viol_max 0.260
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0281
_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 1 ASN 0.008 0.004 5 0 "[ . 1 . 2]"
1 2 CYS 1.319 0.062 7 0 "[ . 1 . 2]"
1 3 VAL 0.551 0.074 16 0 "[ . 1 . 2]"
1 4 ALA 0.326 0.054 16 0 "[ . 1 . 2]"
1 5 ASN 0.246 0.174 12 0 "[ . 1 . 2]"
1 6 ILE 0.911 0.070 11 0 "[ . 1 . 2]"
1 7 LEU 1.964 0.095 19 0 "[ . 1 . 2]"
1 8 ASN 0.297 0.058 12 0 "[ . 1 . 2]"
1 9 ILE 0.210 0.064 9 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.053 0.032 19 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.232 0.043 12 0 "[ . 1 . 2]"
1 14 ILE 0.385 0.107 16 0 "[ . 1 . 2]"
1 15 ALA 0.872 0.095 19 0 "[ . 1 . 2]"
1 16 THR 0.542 0.060 20 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 VAL 0.955 0.062 7 0 "[ . 1 . 2]"
1 20 PRO 0.100 0.037 16 0 "[ . 1 . 2]"
1 21 ALA 0.103 0.037 16 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.005 0.005 12 0 "[ . 1 . 2]"
1 24 GLU 0.064 0.016 10 0 "[ . 1 . 2]"
1 25 LEU 0.023 0.008 19 0 "[ . 1 . 2]"
1 26 ARG 0.007 0.006 14 0 "[ . 1 . 2]"
1 27 ILE 0.039 0.017 18 0 "[ . 1 . 2]"
1 28 PHE 0.105 0.046 14 0 "[ . 1 . 2]"
1 29 VAL 0.751 0.107 16 0 "[ . 1 . 2]"
1 30 GLY 0.004 0.004 17 0 "[ . 1 . 2]"
1 32 SER 0.006 0.004 7 0 "[ . 1 . 2]"
1 33 HIS 0.164 0.050 18 0 "[ . 1 . 2]"
1 34 SER 0.171 0.050 18 0 "[ . 1 . 2]"
1 35 TYR 0.249 0.032 3 0 "[ . 1 . 2]"
1 36 LEU 1.763 0.100 7 0 "[ . 1 . 2]"
1 37 ILE 1.664 0.100 7 0 "[ . 1 . 2]"
1 38 LYS 0.978 0.130 1 0 "[ . 1 . 2]"
1 39 ALA 0.347 0.060 14 0 "[ . 1 . 2]"
1 40 THR 0.177 0.040 20 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 1.480 0.069 12 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 2.817 0.260 5 0 "[ . 1 . 2]"
1 46 SER 0.645 0.130 1 0 "[ . 1 . 2]"
1 47 LEU 0.540 0.032 3 0 "[ . 1 . 2]"
1 48 THR 0.062 0.025 1 0 "[ . 1 . 2]"
1 49 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.160 0.020 19 0 "[ . 1 . 2]"
1 51 VAL 0.135 0.030 19 0 "[ . 1 . 2]"
1 52 PHE 0.173 0.118 19 0 "[ . 1 . 2]"
1 53 ILE 0.147 0.118 19 0 "[ . 1 . 2]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.035 0.014 9 0 "[ . 1 . 2]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 VAL 1.730 0.260 5 0 "[ . 1 . 2]"
1 59 GLN 0.399 0.174 12 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ARG 0.248 0.046 16 0 "[ . 1 . 2]"
1 64 CYS 0.220 0.074 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ASN QB 1 21 ALA H . . 4.080 3.943 3.160 4.084 0.004 5 0 "[ . 1 . 2]" 3
2 1 1 ASN QB 1 64 CYS H . . 4.340 2.932 2.202 3.983 . 0 0 "[ . 1 . 2]" 3
3 1 2 CYS H 1 2 CYS QB . . 3.200 2.650 2.356 2.822 . 0 0 "[ . 1 . 2]" 3
4 1 2 CYS H 1 3 VAL QG . . 5.440 4.693 4.514 5.048 . 0 0 "[ . 1 . 2]" 3
5 1 2 CYS H 1 19 VAL QG . . 4.610 4.052 3.892 4.231 . 0 0 "[ . 1 . 2]" 3
6 1 2 CYS H 1 45 LEU QD . . 5.440 5.406 5.185 5.475 0.035 18 0 "[ . 1 . 2]" 3
7 1 2 CYS HA 1 3 VAL QG . . 5.050 3.447 3.302 3.660 . 0 0 "[ . 1 . 2]" 3
8 1 2 CYS HA 1 19 VAL QG . . 5.440 5.370 5.255 5.493 0.053 9 0 "[ . 1 . 2]" 3
9 1 2 CYS HA 1 45 LEU QD . . 5.440 4.987 4.703 5.242 . 0 0 "[ . 1 . 2]" 3
10 1 2 CYS HA 1 63 ARG QD . . 5.340 5.126 3.652 5.384 0.044 16 0 "[ . 1 . 2]" 3
11 1 2 CYS QB 1 3 VAL H . . 3.890 2.762 2.317 3.378 . 0 0 "[ . 1 . 2]" 3
12 1 2 CYS QB 1 19 VAL H . . 4.120 4.113 3.972 4.182 0.062 7 0 "[ . 1 . 2]" 3
13 1 2 CYS QB 1 19 VAL HB . . 3.630 3.000 2.673 3.339 . 0 0 "[ . 1 . 2]" 3
14 1 2 CYS QB 1 19 VAL QG . . 3.950 3.451 3.271 3.718 . 0 0 "[ . 1 . 2]" 3
15 1 2 CYS QB 1 39 ALA MB . . 4.060 2.520 1.991 2.732 . 0 0 "[ . 1 . 2]" 3
16 1 2 CYS QB 1 43 CYS H . . 5.320 5.119 4.303 5.365 0.045 14 0 "[ . 1 . 2]" 3
17 1 2 CYS QB 1 43 CYS HA . . 4.720 3.219 2.610 3.452 . 0 0 "[ . 1 . 2]" 3
18 1 2 CYS QB 1 43 CYS QB . . 3.600 3.287 2.825 3.661 0.061 3 0 "[ . 1 . 2]" 3
19 1 2 CYS QB 1 45 LEU QD . . 3.880 2.971 2.886 3.165 . 0 0 "[ . 1 . 2]" 3
20 1 3 VAL H 1 3 VAL QG . . 3.280 2.548 2.235 2.697 . 0 0 "[ . 1 . 2]" 3
21 1 3 VAL H 1 43 CYS QB . . 5.340 5.255 4.954 5.376 0.036 16 0 "[ . 1 . 2]" 3
22 1 3 VAL H 1 45 LEU QD . . 5.440 4.071 3.794 4.568 . 0 0 "[ . 1 . 2]" 3
23 1 3 VAL H 1 62 GLY QA . . 5.340 4.029 3.842 4.344 . 0 0 "[ . 1 . 2]" 3
24 1 3 VAL HA 1 18 CYS QB . . 5.340 4.216 3.976 4.508 . 0 0 "[ . 1 . 2]" 3
25 1 3 VAL HA 1 19 VAL QG . . 5.440 3.799 3.557 4.260 . 0 0 "[ . 1 . 2]" 3
26 1 3 VAL HA 1 45 LEU QD . . 5.440 4.494 4.315 4.687 . 0 0 "[ . 1 . 2]" 3
27 1 3 VAL QG 1 4 ALA H . . 3.160 2.270 2.185 2.382 . 0 0 "[ . 1 . 2]" 3
28 1 3 VAL QG 1 4 ALA HA . . 4.690 3.487 3.408 3.561 . 0 0 "[ . 1 . 2]" 3
29 1 3 VAL QG 1 5 ASN H . . 4.140 3.991 3.782 4.168 0.028 9 0 "[ . 1 . 2]" 3
30 1 3 VAL QG 1 5 ASN HA . . 4.960 4.252 4.120 4.380 . 0 0 "[ . 1 . 2]" 3
31 1 3 VAL QG 1 5 ASN QD . . 4.490 3.243 3.120 3.442 . 0 0 "[ . 1 . 2]" 3
32 1 3 VAL QG 1 16 THR HB . . 5.440 4.266 3.871 4.849 . 0 0 "[ . 1 . 2]" 3
33 1 3 VAL QG 1 16 THR MG . . 4.230 4.199 4.035 4.290 0.060 20 0 "[ . 1 . 2]" 3
34 1 3 VAL QG 1 18 CYS HA . . 4.770 2.862 2.706 3.148 . 0 0 "[ . 1 . 2]" 3
35 1 3 VAL QG 1 19 VAL H . . 5.440 3.759 3.597 4.083 . 0 0 "[ . 1 . 2]" 3
36 1 3 VAL QG 1 60 SER HA . . 5.440 4.185 3.989 4.369 . 0 0 "[ . 1 . 2]" 3
37 1 3 VAL QG 1 61 GLY H . . 3.690 2.623 2.378 2.782 . 0 0 "[ . 1 . 2]" 3
38 1 3 VAL QG 1 61 GLY QA . . 3.510 2.103 1.943 2.265 . 0 0 "[ . 1 . 2]" 3
39 1 3 VAL QG 1 62 GLY H . . 4.050 3.206 3.045 3.390 . 0 0 "[ . 1 . 2]" 3
40 1 3 VAL QG 1 62 GLY QA . . 4.850 3.346 3.020 3.500 . 0 0 "[ . 1 . 2]" 3
41 1 3 VAL QG 1 63 ARG H . . 4.670 3.319 2.882 3.611 . 0 0 "[ . 1 . 2]" 3
42 1 3 VAL QG 1 63 ARG HA . . 4.580 2.923 2.340 3.233 . 0 0 "[ . 1 . 2]" 3
43 1 3 VAL QG 1 64 CYS H . . 5.180 3.135 2.744 3.425 . 0 0 "[ . 1 . 2]" 3
44 1 3 VAL QG 1 64 CYS HA . . 4.610 2.500 2.278 3.159 . 0 0 "[ . 1 . 2]" 3
45 1 3 VAL QG 1 64 CYS QB . . 3.350 3.027 1.989 3.424 0.074 16 0 "[ . 1 . 2]" 3
46 1 4 ALA H 1 17 GLY QA . . 5.340 4.005 3.917 4.109 . 0 0 "[ . 1 . 2]" 3
47 1 4 ALA H 1 18 CYS QB . . 5.340 4.800 4.524 5.120 . 0 0 "[ . 1 . 2]" 3
48 1 4 ALA H 1 45 LEU QD . . 4.660 3.991 3.839 4.208 . 0 0 "[ . 1 . 2]" 3
49 1 4 ALA H 1 61 GLY QA . . 5.340 4.824 4.618 5.174 . 0 0 "[ . 1 . 2]" 3
50 1 4 ALA HA 1 5 ASN QB . . 5.340 4.188 4.118 4.290 . 0 0 "[ . 1 . 2]" 3
51 1 4 ALA HA 1 45 LEU QD . . 3.470 1.961 1.862 2.236 . 0 0 "[ . 1 . 2]" 3
52 1 4 ALA HA 1 58 VAL QG . . 4.980 4.325 3.334 5.034 0.054 16 0 "[ . 1 . 2]" 3
53 1 4 ALA MB 1 17 GLY QA . . 4.550 3.520 3.305 3.745 . 0 0 "[ . 1 . 2]" 3
54 1 4 ALA MB 1 19 VAL QG . . 4.360 1.806 1.704 2.126 . 0 0 "[ . 1 . 2]" 3
55 1 4 ALA MB 1 27 ILE QG . . 3.520 3.031 2.936 3.122 . 0 0 "[ . 1 . 2]" 3
56 1 4 ALA MB 1 45 LEU QB . . 5.340 3.938 3.746 4.240 . 0 0 "[ . 1 . 2]" 3
57 1 4 ALA MB 1 45 LEU QD . . 3.940 2.402 2.198 2.704 . 0 0 "[ . 1 . 2]" 3
58 1 5 ASN H 1 5 ASN QB . . 3.100 2.519 2.443 2.572 . 0 0 "[ . 1 . 2]" 3
59 1 5 ASN H 1 5 ASN QD . . 4.680 4.590 4.482 4.695 0.015 20 0 "[ . 1 . 2]" 3
60 1 5 ASN H 1 45 LEU QD . . 3.380 2.689 2.442 2.931 . 0 0 "[ . 1 . 2]" 3
61 1 5 ASN H 1 59 GLN QB . . 4.300 4.110 3.818 4.474 0.174 12 0 "[ . 1 . 2]" 3
62 1 5 ASN HA 1 13 VAL QG . . 4.290 4.017 3.863 4.105 . 0 0 "[ . 1 . 2]" 3
63 1 5 ASN QB 1 6 ILE H . . 3.540 2.922 2.681 3.103 . 0 0 "[ . 1 . 2]" 3
64 1 5 ASN QB 1 7 LEU QD . . 4.020 3.481 3.318 3.611 . 0 0 "[ . 1 . 2]" 3
65 1 5 ASN QB 1 13 VAL HA . . 5.340 4.098 3.948 4.185 . 0 0 "[ . 1 . 2]" 3
66 1 5 ASN QB 1 13 VAL QG . . 3.440 2.486 2.284 2.565 . 0 0 "[ . 1 . 2]" 3
67 1 5 ASN QB 1 14 ILE H . . 5.340 5.089 4.924 5.272 . 0 0 "[ . 1 . 2]" 3
68 1 5 ASN QB 1 15 ALA H . . 5.300 4.712 4.395 4.937 . 0 0 "[ . 1 . 2]" 3
69 1 5 ASN QB 1 16 THR HA . . 5.340 3.899 3.604 4.072 . 0 0 "[ . 1 . 2]" 3
70 1 5 ASN QB 1 59 GLN H . . 4.230 3.216 3.078 3.616 . 0 0 "[ . 1 . 2]" 3
71 1 5 ASN QB 1 59 GLN QB . . 4.010 2.810 2.399 3.792 . 0 0 "[ . 1 . 2]" 3
72 1 5 ASN QB 1 59 GLN QG . . 4.760 4.323 1.856 4.722 . 0 0 "[ . 1 . 2]" 3
73 1 5 ASN QD 1 7 LEU QD . . 5.270 4.363 4.101 4.542 . 0 0 "[ . 1 . 2]" 3
74 1 5 ASN QD 1 13 VAL QG . . 4.040 2.661 2.336 2.945 . 0 0 "[ . 1 . 2]" 3
75 1 5 ASN QD 1 59 GLN QB . . 5.180 3.958 3.484 5.200 0.020 12 0 "[ . 1 . 2]" 3
76 1 5 ASN QD 1 61 GLY QA . . 4.050 2.621 1.982 3.431 . 0 0 "[ . 1 . 2]" 3
77 1 6 ILE H 1 7 LEU QD . . 4.670 4.700 4.653 4.740 0.070 11 0 "[ . 1 . 2]" 3
78 1 6 ILE H 1 13 VAL QG . . 3.550 3.514 3.453 3.564 0.014 19 0 "[ . 1 . 2]" 3
79 1 6 ILE HA 1 7 LEU QD . . 5.440 3.686 3.315 3.776 . 0 0 "[ . 1 . 2]" 3
80 1 6 ILE HA 1 58 VAL QG . . 4.350 3.356 3.110 3.942 . 0 0 "[ . 1 . 2]" 3
81 1 6 ILE HB 1 29 VAL QG . . 4.710 2.442 2.016 3.121 . 0 0 "[ . 1 . 2]" 3
82 1 6 ILE MG 1 29 VAL QG . . 3.960 1.928 1.693 2.264 . 0 0 "[ . 1 . 2]" 3
83 1 6 ILE MG 1 56 GLU QB . . 4.460 2.665 2.379 2.995 . 0 0 "[ . 1 . 2]" 3
84 1 6 ILE HG12 1 29 VAL QG . . 4.420 3.727 3.211 4.434 0.014 14 0 "[ . 1 . 2]" 3
85 1 6 ILE HG12 1 35 TYR QB . . 4.770 4.540 4.180 4.636 . 0 0 "[ . 1 . 2]" 3
86 1 6 ILE HG13 1 29 VAL QG . . 4.570 2.464 1.919 3.190 . 0 0 "[ . 1 . 2]" 3
87 1 6 ILE MD 1 27 ILE QG . . 4.510 4.212 3.920 4.527 0.017 18 0 "[ . 1 . 2]" 3
88 1 6 ILE MD 1 29 VAL QG . . 3.350 2.984 2.612 3.404 0.054 2 0 "[ . 1 . 2]" 3
89 1 6 ILE MD 1 35 TYR QB . . 4.550 2.332 2.055 2.478 . 0 0 "[ . 1 . 2]" 3
90 1 6 ILE MD 1 58 VAL QG . . 3.880 1.997 1.796 3.080 . 0 0 "[ . 1 . 2]" 3
91 1 7 LEU H 1 7 LEU QB . . 3.250 2.705 2.663 2.797 . 0 0 "[ . 1 . 2]" 3
92 1 7 LEU H 1 7 LEU QD . . 3.620 2.869 2.686 3.009 . 0 0 "[ . 1 . 2]" 3
93 1 7 LEU H 1 57 SER QB . . 5.320 3.999 3.701 4.499 . 0 0 "[ . 1 . 2]" 3
94 1 7 LEU H 1 59 GLN QG . . 5.340 5.296 4.841 5.367 0.027 13 0 "[ . 1 . 2]" 3
95 1 7 LEU HA 1 7 LEU QD . . 3.660 2.907 2.779 3.064 . 0 0 "[ . 1 . 2]" 3
96 1 7 LEU HA 1 13 VAL QG . . 4.630 3.791 3.709 3.924 . 0 0 "[ . 1 . 2]" 3
97 1 7 LEU HA 1 14 ILE QG . . 4.630 2.308 2.220 2.372 . 0 0 "[ . 1 . 2]" 3
98 1 7 LEU QB 1 8 ASN H . . 3.180 2.611 2.581 2.669 . 0 0 "[ . 1 . 2]" 3
99 1 7 LEU QB 1 8 ASN HA . . 5.340 4.332 4.299 4.354 . 0 0 "[ . 1 . 2]" 3
100 1 7 LEU QB 1 8 ASN QB . . 5.180 4.709 4.594 4.791 . 0 0 "[ . 1 . 2]" 3
101 1 7 LEU QB 1 11 GLU H . . 3.760 3.650 3.597 3.764 0.004 19 0 "[ . 1 . 2]" 3
102 1 7 LEU QB 1 11 GLU HA . . 3.680 2.191 2.085 2.253 . 0 0 "[ . 1 . 2]" 3
103 1 7 LEU QB 1 12 ALA H . . 5.240 2.841 2.342 3.028 . 0 0 "[ . 1 . 2]" 3
104 1 7 LEU QB 1 13 VAL HA . . 5.340 3.620 3.351 3.816 . 0 0 "[ . 1 . 2]" 3
105 1 7 LEU QB 1 14 ILE H . . 4.720 4.369 4.159 4.441 . 0 0 "[ . 1 . 2]" 3
106 1 7 LEU QB 1 57 SER H . . 4.370 3.101 2.898 3.255 . 0 0 "[ . 1 . 2]" 3
107 1 7 LEU QD 1 8 ASN H . . 3.850 3.851 3.723 3.908 0.058 12 0 "[ . 1 . 2]" 3
108 1 7 LEU QD 1 11 GLU H . . 4.550 4.498 4.446 4.582 0.032 19 0 "[ . 1 . 2]" 3
109 1 7 LEU QD 1 11 GLU HA . . 3.900 2.893 2.827 3.006 . 0 0 "[ . 1 . 2]" 3
110 1 7 LEU QD 1 11 GLU QB . . 4.370 2.940 2.813 3.097 . 0 0 "[ . 1 . 2]" 3
111 1 7 LEU QD 1 11 GLU QG . . 4.150 3.778 3.730 3.874 . 0 0 "[ . 1 . 2]" 3
112 1 7 LEU QD 1 12 ALA H . . 4.590 3.710 3.322 3.841 . 0 0 "[ . 1 . 2]" 3
113 1 7 LEU QD 1 12 ALA HA . . 5.370 3.081 2.891 3.217 . 0 0 "[ . 1 . 2]" 3
114 1 7 LEU QD 1 13 VAL H . . 4.550 2.494 2.412 2.638 . 0 0 "[ . 1 . 2]" 3
115 1 7 LEU QD 1 13 VAL HA . . 3.800 2.420 2.306 2.718 . 0 0 "[ . 1 . 2]" 3
116 1 7 LEU QD 1 13 VAL QG . . 4.290 1.932 1.840 2.103 . 0 0 "[ . 1 . 2]" 3
117 1 7 LEU QD 1 14 ILE H . . 4.160 4.007 3.956 4.161 0.001 12 0 "[ . 1 . 2]" 3
118 1 7 LEU QD 1 15 ALA H . . 5.000 5.044 5.001 5.095 0.095 19 0 "[ . 1 . 2]" 3
119 1 7 LEU QD 1 57 SER QB . . 4.850 2.331 2.025 2.783 . 0 0 "[ . 1 . 2]" 3
120 1 7 LEU QD 1 58 VAL HA . . 5.440 3.303 2.992 3.481 . 0 0 "[ . 1 . 2]" 3
121 1 7 LEU QD 1 59 GLN H . . 4.130 3.236 3.149 3.395 . 0 0 "[ . 1 . 2]" 3
122 1 7 LEU QD 1 59 GLN HA . . 5.440 3.714 3.276 3.929 . 0 0 "[ . 1 . 2]" 3
123 1 7 LEU QD 1 59 GLN QB . . 4.050 2.042 1.921 2.280 . 0 0 "[ . 1 . 2]" 3
124 1 7 LEU QD 1 59 GLN QG . . 4.210 1.909 1.754 2.619 . 0 0 "[ . 1 . 2]" 3
125 1 8 ASN H 1 8 ASN QB . . 3.370 2.676 2.490 2.848 . 0 0 "[ . 1 . 2]" 3
126 1 8 ASN H 1 10 ASN QB . . 5.340 4.886 4.820 5.067 . 0 0 "[ . 1 . 2]" 3
127 1 8 ASN HA 1 56 GLU QG . . 3.690 2.620 1.994 2.869 . 0 0 "[ . 1 . 2]" 3
128 1 8 ASN QB 1 9 ILE H . . 2.980 1.936 1.881 2.091 . 0 0 "[ . 1 . 2]" 3
129 1 8 ASN QB 1 10 ASN H . . 4.390 3.058 2.814 3.496 . 0 0 "[ . 1 . 2]" 3
130 1 8 ASN QB 1 12 ALA H . . 4.290 3.957 3.902 4.057 . 0 0 "[ . 1 . 2]" 3
131 1 8 ASN QB 1 12 ALA MB . . 4.460 3.818 3.722 3.969 . 0 0 "[ . 1 . 2]" 3
132 1 8 ASN QB 1 14 ILE H . . 5.340 4.945 4.670 5.238 . 0 0 "[ . 1 . 2]" 3
133 1 8 ASN QB 1 14 ILE MG . . 3.650 2.112 1.895 2.401 . 0 0 "[ . 1 . 2]" 3
134 1 8 ASN QB 1 14 ILE QG . . 5.180 3.407 3.230 3.616 . 0 0 "[ . 1 . 2]" 3
135 1 8 ASN QB 1 14 ILE MD . . 3.740 1.958 1.923 2.095 . 0 0 "[ . 1 . 2]" 3
136 1 8 ASN QD 1 9 ILE H . . 5.340 4.117 3.138 4.396 . 0 0 "[ . 1 . 2]" 3
137 1 8 ASN QD 1 10 ASN QB . . 4.690 2.712 2.140 3.051 . 0 0 "[ . 1 . 2]" 3
138 1 8 ASN QD 1 12 ALA MB . . 3.720 2.017 1.799 2.792 . 0 0 "[ . 1 . 2]" 3
139 1 8 ASN QD 1 14 ILE MG . . 3.940 2.591 2.296 3.704 . 0 0 "[ . 1 . 2]" 3
140 1 8 ASN QD 1 14 ILE MD . . 4.760 3.769 3.558 4.411 . 0 0 "[ . 1 . 2]" 3
141 1 9 ILE H 1 9 ILE QG . . 4.000 3.633 2.129 4.064 0.064 9 0 "[ . 1 . 2]" 3
142 1 9 ILE H 1 10 ASN QB . . 4.910 4.524 4.355 4.792 . 0 0 "[ . 1 . 2]" 3
143 1 9 ILE H 1 55 GLY QA . . 5.020 4.355 3.748 5.031 0.011 11 0 "[ . 1 . 2]" 3
144 1 9 ILE H 1 56 GLU QG . . 5.340 4.238 3.515 4.668 . 0 0 "[ . 1 . 2]" 3
145 1 9 ILE HA 1 9 ILE QG . . 3.480 2.447 2.220 2.989 . 0 0 "[ . 1 . 2]" 3
146 1 9 ILE MG 1 55 GLY QA . . 5.340 4.244 3.528 4.859 . 0 0 "[ . 1 . 2]" 3
147 1 9 ILE QG 1 10 ASN H . . 4.590 4.001 3.642 4.256 . 0 0 "[ . 1 . 2]" 3
148 1 9 ILE QG 1 55 GLY QA . . 4.240 3.161 1.874 4.254 0.014 9 0 "[ . 1 . 2]" 3
149 1 9 ILE MD 1 55 GLY QA . . 3.730 2.509 1.866 3.079 . 0 0 "[ . 1 . 2]" 3
150 1 10 ASN H 1 10 ASN QB . . 3.070 2.273 2.111 2.462 . 0 0 "[ . 1 . 2]" 3
151 1 10 ASN HA 1 11 GLU QG . . 5.340 3.769 3.647 3.858 . 0 0 "[ . 1 . 2]" 3
152 1 10 ASN QB 1 11 GLU H . . 4.130 3.620 3.509 3.694 . 0 0 "[ . 1 . 2]" 3
153 1 10 ASN QB 1 12 ALA H . . 4.260 3.336 3.104 4.027 . 0 0 "[ . 1 . 2]" 3
154 1 11 GLU HA 1 11 GLU QG . . 3.720 2.323 2.291 2.390 . 0 0 "[ . 1 . 2]" 3
155 1 12 ALA HA 1 13 VAL QG . . 4.780 3.821 3.787 3.847 . 0 0 "[ . 1 . 2]" 3
156 1 13 VAL H 1 13 VAL QG . . 3.000 2.254 2.224 2.307 . 0 0 "[ . 1 . 2]" 3
157 1 13 VAL HA 1 14 ILE QG . . 5.340 3.551 3.434 3.609 . 0 0 "[ . 1 . 2]" 3
158 1 13 VAL QG 1 14 ILE H . . 3.870 2.845 2.743 2.915 . 0 0 "[ . 1 . 2]" 3
159 1 13 VAL QG 1 14 ILE HA . . 5.200 3.614 3.465 3.668 . 0 0 "[ . 1 . 2]" 3
160 1 13 VAL QG 1 15 ALA H . . 3.100 2.720 2.606 2.912 . 0 0 "[ . 1 . 2]" 3
161 1 13 VAL QG 1 15 ALA HA . . 5.320 4.099 4.028 4.185 . 0 0 "[ . 1 . 2]" 3
162 1 13 VAL QG 1 16 THR HA . . 4.810 4.087 3.950 4.237 . 0 0 "[ . 1 . 2]" 3
163 1 13 VAL QG 1 16 THR HB . . 4.490 4.085 3.024 4.533 0.043 12 0 "[ . 1 . 2]" 3
164 1 13 VAL QG 1 16 THR MG . . 5.290 2.746 2.089 4.155 . 0 0 "[ . 1 . 2]" 3
165 1 13 VAL QG 1 59 GLN QB . . 5.280 3.777 3.283 4.324 . 0 0 "[ . 1 . 2]" 3
166 1 13 VAL QG 1 59 GLN QG . . 5.280 4.395 3.239 5.130 . 0 0 "[ . 1 . 2]" 3
167 1 14 ILE H 1 14 ILE QG . . 2.950 1.872 1.846 1.900 . 0 0 "[ . 1 . 2]" 3
168 1 14 ILE HA 1 29 VAL QG . . 5.440 4.877 4.525 5.547 0.107 16 0 "[ . 1 . 2]" 3
169 1 14 ILE HB 1 29 VAL QG . . 4.890 3.085 2.508 4.175 . 0 0 "[ . 1 . 2]" 3
170 1 14 ILE QG 1 15 ALA H . . 3.220 2.488 2.330 2.586 . 0 0 "[ . 1 . 2]" 3
171 1 14 ILE MD 1 29 VAL QG . . 5.330 2.030 1.750 2.912 . 0 0 "[ . 1 . 2]" 3
172 1 14 ILE MD 1 54 ASN QB . . 5.340 4.765 4.400 5.150 . 0 0 "[ . 1 . 2]" 3
173 1 15 ALA MB 1 27 ILE QG . . 5.340 4.411 4.290 4.570 . 0 0 "[ . 1 . 2]" 3
174 1 15 ALA MB 1 29 VAL QG . . 3.740 2.041 1.763 2.500 . 0 0 "[ . 1 . 2]" 3
175 1 16 THR MG 1 17 GLY QA . . 5.340 4.444 3.352 4.926 . 0 0 "[ . 1 . 2]" 3
176 1 17 GLY QA 1 18 CYS H . . 2.870 2.272 2.257 2.283 . 0 0 "[ . 1 . 2]" 3
177 1 17 GLY QA 1 18 CYS QB . . 5.180 3.790 3.707 3.879 . 0 0 "[ . 1 . 2]" 3
178 1 17 GLY QA 1 27 ILE MG . . 5.340 3.008 2.807 3.271 . 0 0 "[ . 1 . 2]" 3
179 1 17 GLY QA 1 27 ILE QG . . 4.030 2.122 1.972 2.379 . 0 0 "[ . 1 . 2]" 3
180 1 17 GLY QA 1 27 ILE MD . . 3.710 2.483 2.105 2.770 . 0 0 "[ . 1 . 2]" 3
181 1 18 CYS H 1 18 CYS QB . . 3.350 2.402 2.268 2.595 . 0 0 "[ . 1 . 2]" 3
182 1 18 CYS H 1 25 LEU QB . . 5.340 4.177 3.604 4.659 . 0 0 "[ . 1 . 2]" 3
183 1 18 CYS H 1 27 ILE QG . . 4.590 4.175 3.864 4.346 . 0 0 "[ . 1 . 2]" 3
184 1 18 CYS HA 1 19 VAL QG . . 4.640 3.472 3.334 3.605 . 0 0 "[ . 1 . 2]" 3
185 1 18 CYS QB 1 64 CYS QB . . 4.490 3.757 2.804 4.094 . 0 0 "[ . 1 . 2]" 3
186 1 19 VAL H 1 19 VAL QG . . 2.990 2.647 2.358 2.762 . 0 0 "[ . 1 . 2]" 3
187 1 19 VAL H 1 20 PRO QD . . 4.410 4.248 4.183 4.307 . 0 0 "[ . 1 . 2]" 3
188 1 19 VAL H 1 45 LEU QD . . 4.890 4.877 4.766 4.924 0.034 4 0 "[ . 1 . 2]" 3
189 1 19 VAL HA 1 20 PRO QG . . 4.710 3.834 3.819 3.838 . 0 0 "[ . 1 . 2]" 3
190 1 19 VAL HA 1 25 LEU QB . . 3.720 2.417 1.953 2.599 . 0 0 "[ . 1 . 2]" 3
191 1 19 VAL HA 1 25 LEU QD . . 5.080 2.204 1.960 2.817 . 0 0 "[ . 1 . 2]" 3
192 1 19 VAL QG 1 20 PRO HA . . 5.440 4.002 3.987 4.053 . 0 0 "[ . 1 . 2]" 3
193 1 19 VAL QG 1 20 PRO QB . . 5.280 3.995 3.978 4.062 . 0 0 "[ . 1 . 2]" 3
194 1 19 VAL QG 1 20 PRO QG . . 4.850 3.033 3.009 3.114 . 0 0 "[ . 1 . 2]" 3
195 1 19 VAL QG 1 20 PRO QD . . 3.480 1.893 1.879 1.949 . 0 0 "[ . 1 . 2]" 3
196 1 19 VAL QG 1 21 ALA H . . 5.440 4.851 4.810 4.939 . 0 0 "[ . 1 . 2]" 3
197 1 19 VAL QG 1 21 ALA HA . . 5.440 4.446 4.382 4.586 . 0 0 "[ . 1 . 2]" 3
198 1 19 VAL QG 1 22 GLY H . . 5.270 4.472 4.364 4.630 . 0 0 "[ . 1 . 2]" 3
199 1 19 VAL QG 1 23 GLY H . . 4.450 3.372 3.113 3.591 . 0 0 "[ . 1 . 2]" 3
200 1 19 VAL QG 1 24 GLU H . . 4.570 3.451 2.996 3.868 . 0 0 "[ . 1 . 2]" 3
201 1 19 VAL QG 1 24 GLU HA . . 3.580 2.190 1.866 2.701 . 0 0 "[ . 1 . 2]" 3
202 1 19 VAL QG 1 24 GLU QG . . 4.970 4.168 3.758 4.569 . 0 0 "[ . 1 . 2]" 3
203 1 19 VAL QG 1 25 LEU H . . 3.260 2.447 2.015 2.982 . 0 0 "[ . 1 . 2]" 3
204 1 19 VAL QG 1 25 LEU HA . . 5.010 3.905 3.724 4.152 . 0 0 "[ . 1 . 2]" 3
205 1 19 VAL QG 1 25 LEU QB . . 3.450 1.987 1.831 2.451 . 0 0 "[ . 1 . 2]" 3
206 1 19 VAL QG 1 25 LEU HG . . 5.290 4.292 4.020 4.484 . 0 0 "[ . 1 . 2]" 3
207 1 19 VAL QG 1 25 LEU QD . . 5.370 2.783 2.300 3.278 . 0 0 "[ . 1 . 2]" 3
208 1 19 VAL QG 1 37 ILE HB . . 4.140 2.416 2.199 2.616 . 0 0 "[ . 1 . 2]" 3
209 1 19 VAL QG 1 37 ILE HG12 . . 4.810 4.261 4.067 4.497 . 0 0 "[ . 1 . 2]" 3
210 1 19 VAL QG 1 37 ILE HG13 . . 5.190 3.989 3.713 4.291 . 0 0 "[ . 1 . 2]" 3
211 1 19 VAL QG 1 38 LYS HA . . 4.410 3.002 2.688 3.355 . 0 0 "[ . 1 . 2]" 3
212 1 19 VAL QG 1 39 ALA H . . 3.470 2.443 2.055 2.995 . 0 0 "[ . 1 . 2]" 3
213 1 19 VAL QG 1 39 ALA HA . . 4.780 3.571 3.328 3.740 . 0 0 "[ . 1 . 2]" 3
214 1 19 VAL QG 1 39 ALA MB . . 3.520 1.879 1.755 2.057 . 0 0 "[ . 1 . 2]" 3
215 1 19 VAL QG 1 40 THR H . . 5.200 5.135 4.910 5.240 0.040 20 0 "[ . 1 . 2]" 3
216 1 19 VAL QG 1 43 CYS HA . . 5.440 5.337 5.241 5.456 0.016 13 0 "[ . 1 . 2]" 3
217 1 20 PRO QB 1 21 ALA H . . 4.050 2.381 2.039 2.805 . 0 0 "[ . 1 . 2]" 3
218 1 20 PRO QB 1 23 GLY H . . 4.170 3.850 3.537 4.175 0.005 12 0 "[ . 1 . 2]" 3
219 1 20 PRO QB 1 23 GLY QA . . 3.830 3.370 3.079 3.501 . 0 0 "[ . 1 . 2]" 3
220 1 20 PRO QG 1 23 GLY H . . 5.350 3.196 3.012 3.491 . 0 0 "[ . 1 . 2]" 3
221 1 20 PRO QG 1 23 GLY QA . . 4.650 1.974 1.964 1.992 . 0 0 "[ . 1 . 2]" 3
222 1 20 PRO QD 1 21 ALA H . . 4.960 4.899 4.786 4.997 0.037 16 0 "[ . 1 . 2]" 3
223 1 20 PRO QD 1 23 GLY H . . 5.350 4.376 4.276 4.481 . 0 0 "[ . 1 . 2]" 3
224 1 20 PRO QD 1 24 GLU H . . 4.170 3.348 2.996 3.789 . 0 0 "[ . 1 . 2]" 3
225 1 20 PRO QD 1 24 GLU HA . . 5.350 3.574 3.261 3.936 . 0 0 "[ . 1 . 2]" 3
226 1 20 PRO QD 1 25 LEU H . . 5.140 4.041 3.377 4.589 . 0 0 "[ . 1 . 2]" 3
227 1 20 PRO QD 1 25 LEU QB . . 3.760 2.748 2.215 3.041 . 0 0 "[ . 1 . 2]" 3
228 1 20 PRO QD 1 25 LEU QD . . 4.580 1.923 1.825 2.716 . 0 0 "[ . 1 . 2]" 3
229 1 21 ALA MB 1 22 GLY QA . . 5.340 3.776 3.687 3.796 . 0 0 "[ . 1 . 2]" 3
230 1 22 GLY QA 1 40 THR HA . . 4.250 3.200 2.666 3.483 . 0 0 "[ . 1 . 2]" 3
231 1 23 GLY QA 1 24 GLU H . . 2.820 2.217 2.159 2.270 . 0 0 "[ . 1 . 2]" 3
232 1 23 GLY QA 1 24 GLU QG . . 4.760 3.632 2.899 4.454 . 0 0 "[ . 1 . 2]" 3
233 1 23 GLY QA 1 39 ALA H . . 5.220 4.245 4.088 4.355 . 0 0 "[ . 1 . 2]" 3
234 1 24 GLU H 1 24 GLU QB . . 3.670 3.119 2.868 3.329 . 0 0 "[ . 1 . 2]" 3
235 1 24 GLU H 1 24 GLU QG . . 3.890 2.894 2.505 3.428 . 0 0 "[ . 1 . 2]" 3
236 1 24 GLU H 1 36 LEU QD . . 5.440 4.487 4.087 4.704 . 0 0 "[ . 1 . 2]" 3
237 1 24 GLU HA 1 36 LEU QD . . 5.410 3.496 3.247 3.716 . 0 0 "[ . 1 . 2]" 3
238 1 24 GLU HA 1 38 LYS QB . . 4.990 3.854 3.423 4.219 . 0 0 "[ . 1 . 2]" 3
239 1 24 GLU QB 1 25 LEU H . . 3.430 2.783 2.315 2.956 . 0 0 "[ . 1 . 2]" 3
240 1 24 GLU QB 1 25 LEU HA . . 5.340 4.204 3.842 4.395 . 0 0 "[ . 1 . 2]" 3
241 1 24 GLU QB 1 36 LEU HG . . 5.160 2.784 2.307 3.531 . 0 0 "[ . 1 . 2]" 3
242 1 24 GLU QB 1 36 LEU QD . . 3.920 2.072 1.791 2.259 . 0 0 "[ . 1 . 2]" 3
243 1 24 GLU QB 1 37 ILE H . . 4.950 3.739 3.580 4.087 . 0 0 "[ . 1 . 2]" 3
244 1 24 GLU QB 1 38 LYS H . . 5.340 3.899 3.617 4.440 . 0 0 "[ . 1 . 2]" 3
245 1 24 GLU QB 1 38 LYS HA . . 4.070 2.316 1.959 2.949 . 0 0 "[ . 1 . 2]" 3
246 1 24 GLU QB 1 39 ALA H . . 4.560 3.878 3.244 4.576 0.016 10 0 "[ . 1 . 2]" 3
247 1 24 GLU QG 1 36 LEU HG . . 4.450 3.701 3.034 4.464 0.014 18 0 "[ . 1 . 2]" 3
248 1 24 GLU QG 1 36 LEU QD . . 4.710 2.482 1.745 3.608 . 0 0 "[ . 1 . 2]" 3
249 1 24 GLU QG 1 38 LYS HA . . 4.560 3.355 1.960 4.376 . 0 0 "[ . 1 . 2]" 3
250 1 24 GLU QG 1 48 THR MG . . 5.340 3.918 2.679 5.080 . 0 0 "[ . 1 . 2]" 3
251 1 25 LEU H 1 25 LEU QB . . 3.240 2.601 2.484 2.837 . 0 0 "[ . 1 . 2]" 3
252 1 25 LEU H 1 25 LEU QD . . 4.450 3.877 3.679 4.053 . 0 0 "[ . 1 . 2]" 3
253 1 25 LEU H 1 36 LEU QD . . 4.170 2.439 1.868 2.597 . 0 0 "[ . 1 . 2]" 3
254 1 25 LEU HA 1 25 LEU QD . . 3.490 2.875 2.611 2.942 . 0 0 "[ . 1 . 2]" 3
255 1 25 LEU HA 1 36 LEU QD . . 4.460 2.964 2.837 3.071 . 0 0 "[ . 1 . 2]" 3
256 1 25 LEU QB 1 26 ARG H . . 3.690 3.202 3.049 3.605 . 0 0 "[ . 1 . 2]" 3
257 1 25 LEU QB 1 36 LEU QD . . 5.050 3.842 3.651 3.952 . 0 0 "[ . 1 . 2]" 3
258 1 25 LEU QD 1 26 ARG H . . 3.460 2.958 2.118 3.215 . 0 0 "[ . 1 . 2]" 3
259 1 25 LEU QD 1 27 ILE H . . 5.090 4.892 4.063 5.098 0.008 19 0 "[ . 1 . 2]" 3
260 1 25 LEU QD 1 27 ILE MG . . 5.440 4.791 3.799 5.161 . 0 0 "[ . 1 . 2]" 3
261 1 25 LEU QD 1 36 LEU QD . . 4.390 4.260 3.983 4.345 . 0 0 "[ . 1 . 2]" 3
262 1 26 ARG H 1 26 ARG QG . . 4.380 3.992 3.775 4.072 . 0 0 "[ . 1 . 2]" 3
263 1 26 ARG H 1 36 LEU QD . . 4.530 3.141 3.055 3.236 . 0 0 "[ . 1 . 2]" 3
264 1 26 ARG HA 1 26 ARG QG . . 3.700 2.382 2.189 2.724 . 0 0 "[ . 1 . 2]" 3
265 1 26 ARG HA 1 36 LEU QB . . 5.280 3.642 3.399 3.774 . 0 0 "[ . 1 . 2]" 3
266 1 26 ARG HA 1 36 LEU QD . . 4.240 2.643 2.389 2.924 . 0 0 "[ . 1 . 2]" 3
267 1 26 ARG QB 1 27 ILE H . . 4.230 3.762 3.548 3.908 . 0 0 "[ . 1 . 2]" 3
268 1 26 ARG QB 1 36 LEU HA . . 4.910 3.306 2.839 3.544 . 0 0 "[ . 1 . 2]" 3
269 1 26 ARG QB 1 36 LEU QD . . 4.290 2.577 2.392 2.839 . 0 0 "[ . 1 . 2]" 3
270 1 26 ARG QG 1 27 ILE HA . . 5.340 4.163 3.638 4.433 . 0 0 "[ . 1 . 2]" 3
271 1 26 ARG QG 1 27 ILE HB . . 5.340 4.846 4.531 5.074 . 0 0 "[ . 1 . 2]" 3
272 1 26 ARG QG 1 34 SER HA . . 5.340 4.098 3.883 4.467 . 0 0 "[ . 1 . 2]" 3
273 1 26 ARG QG 1 34 SER QB . . 3.610 1.999 1.889 2.187 . 0 0 "[ . 1 . 2]" 3
274 1 26 ARG QG 1 35 TYR H . . 4.380 3.060 2.571 3.500 . 0 0 "[ . 1 . 2]" 3
275 1 26 ARG QG 1 36 LEU H . . 5.340 3.874 3.344 4.460 . 0 0 "[ . 1 . 2]" 3
276 1 26 ARG QD 1 27 ILE H . . 5.220 4.702 3.396 5.132 . 0 0 "[ . 1 . 2]" 3
277 1 26 ARG QD 1 34 SER QB . . 4.260 3.145 1.988 3.902 . 0 0 "[ . 1 . 2]" 3
278 1 26 ARG QD 1 35 TYR H . . 5.310 4.769 4.093 5.316 0.006 14 0 "[ . 1 . 2]" 3
279 1 27 ILE H 1 27 ILE QG . . 3.290 2.475 2.217 2.732 . 0 0 "[ . 1 . 2]" 3
280 1 27 ILE H 1 35 TYR QB . . 4.630 4.125 3.933 4.273 . 0 0 "[ . 1 . 2]" 3
281 1 27 ILE H 1 36 LEU QD . . 5.440 4.356 4.138 4.720 . 0 0 "[ . 1 . 2]" 3
282 1 27 ILE HA 1 27 ILE QG . . 3.570 2.439 2.357 2.519 . 0 0 "[ . 1 . 2]" 3
283 1 27 ILE HA 1 34 SER QB . . 5.340 4.333 3.591 4.598 . 0 0 "[ . 1 . 2]" 3
284 1 27 ILE MG 1 29 VAL QG . . 4.760 3.168 2.235 3.979 . 0 0 "[ . 1 . 2]" 3
285 1 27 ILE QG 1 28 PHE H . . 4.280 4.043 3.945 4.136 . 0 0 "[ . 1 . 2]" 3
286 1 27 ILE QG 1 37 ILE H . . 4.510 4.122 3.899 4.319 . 0 0 "[ . 1 . 2]" 3
287 1 27 ILE QG 1 37 ILE HG12 . . 5.090 3.080 2.831 3.469 . 0 0 "[ . 1 . 2]" 3
288 1 28 PHE H 1 28 PHE QB . . 3.180 2.711 2.630 2.993 . 0 0 "[ . 1 . 2]" 3
289 1 28 PHE H 1 29 VAL QG . . 4.970 4.500 3.945 5.016 0.046 14 0 "[ . 1 . 2]" 3
290 1 28 PHE H 1 34 SER QB . . 5.340 4.042 3.315 4.275 . 0 0 "[ . 1 . 2]" 3
291 1 28 PHE HA 1 29 VAL QG . . 4.830 3.581 3.277 3.756 . 0 0 "[ . 1 . 2]" 3
292 1 28 PHE QD 1 34 SER QB . . 4.460 2.781 2.213 4.310 . 0 0 "[ . 1 . 2]" 3
293 1 29 VAL H 1 29 VAL QG . . 3.250 2.249 1.889 2.675 . 0 0 "[ . 1 . 2]" 3
294 1 29 VAL H 1 34 SER QB . . 4.720 3.399 3.093 3.967 . 0 0 "[ . 1 . 2]" 3
295 1 29 VAL QG 1 30 GLY H . . 3.700 3.121 2.676 3.704 0.004 17 0 "[ . 1 . 2]" 3
296 1 29 VAL QG 1 30 GLY QA . . 4.850 3.385 3.085 3.989 . 0 0 "[ . 1 . 2]" 3
297 1 29 VAL QG 1 34 SER H . . 5.440 4.188 3.088 5.448 0.008 10 0 "[ . 1 . 2]" 3
298 1 29 VAL QG 1 34 SER HA . . 4.410 2.687 1.936 3.543 . 0 0 "[ . 1 . 2]" 3
299 1 29 VAL QG 1 35 TYR H . . 3.840 3.180 2.442 3.710 . 0 0 "[ . 1 . 2]" 3
300 1 29 VAL QG 1 35 TYR HA . . 5.440 4.631 3.803 5.241 . 0 0 "[ . 1 . 2]" 3
301 1 29 VAL QG 1 35 TYR QB . . 3.940 2.728 2.274 3.057 . 0 0 "[ . 1 . 2]" 3
302 1 29 VAL QG 1 35 TYR QD . . 4.840 2.565 1.966 3.095 . 0 0 "[ . 1 . 2]" 3
303 1 29 VAL QG 1 35 TYR QE . . 4.800 3.747 2.124 4.431 . 0 0 "[ . 1 . 2]" 3
304 1 32 SER QB 1 33 HIS H . . 3.880 3.440 1.981 3.884 0.004 7 0 "[ . 1 . 2]" 3
305 1 33 HIS H 1 34 SER QB . . 5.340 5.160 4.565 5.390 0.050 18 0 "[ . 1 . 2]" 3
306 1 33 HIS QB 1 34 SER HA . . 5.340 4.014 3.738 4.429 . 0 0 "[ . 1 . 2]" 3
307 1 34 SER QB 1 35 TYR H . . 3.190 2.575 2.090 2.921 . 0 0 "[ . 1 . 2]" 3
308 1 35 TYR H 1 35 TYR QB . . 3.210 2.562 2.386 2.710 . 0 0 "[ . 1 . 2]" 3
309 1 35 TYR H 1 47 LEU QD . . 5.430 5.430 5.192 5.462 0.032 3 0 "[ . 1 . 2]" 3
310 1 35 TYR HA 1 47 LEU QD . . 4.350 3.835 3.574 4.021 . 0 0 "[ . 1 . 2]" 3
311 1 35 TYR QB 1 36 LEU H . . 3.720 3.212 3.098 3.300 . 0 0 "[ . 1 . 2]" 3
312 1 35 TYR QB 1 37 ILE MD . . 4.400 2.546 2.332 2.705 . 0 0 "[ . 1 . 2]" 3
313 1 35 TYR QB 1 47 LEU QD . . 3.510 2.609 2.361 2.858 . 0 0 "[ . 1 . 2]" 3
314 1 35 TYR QD 1 47 LEU QD . . 4.410 2.396 1.998 2.908 . 0 0 "[ . 1 . 2]" 3
315 1 35 TYR QE 1 47 LEU QD . . 5.440 2.700 2.217 3.866 . 0 0 "[ . 1 . 2]" 3
316 1 36 LEU H 1 36 LEU QB . . 3.090 2.253 2.238 2.265 . 0 0 "[ . 1 . 2]" 3
317 1 36 LEU H 1 47 LEU QD . . 3.810 3.462 2.962 3.769 . 0 0 "[ . 1 . 2]" 3
318 1 36 LEU H 1 50 GLN QB . . 5.340 4.649 4.014 4.922 . 0 0 "[ . 1 . 2]" 3
319 1 36 LEU H 1 50 GLN QG . . 5.340 5.235 4.787 5.353 0.013 2 0 "[ . 1 . 2]" 3
320 1 36 LEU HA 1 36 LEU QD . . 3.580 2.050 1.917 2.174 . 0 0 "[ . 1 . 2]" 3
321 1 36 LEU QB 1 37 ILE H . . 3.620 3.701 3.592 3.720 0.100 7 0 "[ . 1 . 2]" 3
322 1 36 LEU QB 1 48 THR H . . 4.880 3.217 2.833 3.774 . 0 0 "[ . 1 . 2]" 3
323 1 36 LEU QB 1 48 THR HB . . 4.550 3.570 2.087 4.556 0.006 10 0 "[ . 1 . 2]" 3
324 1 36 LEU HG 1 47 LEU QD . . 5.440 4.966 3.958 5.470 0.030 15 0 "[ . 1 . 2]" 3
325 1 36 LEU QD 1 37 ILE H . . 3.410 2.089 1.820 2.249 . 0 0 "[ . 1 . 2]" 3
326 1 36 LEU QD 1 38 LYS QB . . 4.980 3.678 2.701 3.892 . 0 0 "[ . 1 . 2]" 3
327 1 36 LEU QD 1 38 LYS QG . . 5.280 4.952 4.307 5.284 0.004 10 0 "[ . 1 . 2]" 3
328 1 36 LEU QD 1 38 LYS QE . . 5.280 4.691 3.824 5.296 0.016 2 0 "[ . 1 . 2]" 3
329 1 36 LEU QD 1 48 THR H . . 5.120 3.635 2.509 4.276 . 0 0 "[ . 1 . 2]" 3
330 1 36 LEU QD 1 48 THR HB . . 4.260 2.293 1.914 3.326 . 0 0 "[ . 1 . 2]" 3
331 1 36 LEU QD 1 48 THR MG . . 4.230 2.434 1.828 3.487 . 0 0 "[ . 1 . 2]" 3
332 1 37 ILE H 1 47 LEU QD . . 5.240 5.006 4.608 5.249 0.009 11 0 "[ . 1 . 2]" 3
333 1 37 ILE HA 1 38 LYS QB . . 4.990 4.124 4.053 4.425 . 0 0 "[ . 1 . 2]" 3
334 1 37 ILE HA 1 45 LEU QB . . 5.340 4.459 4.203 4.832 . 0 0 "[ . 1 . 2]" 3
335 1 37 ILE HA 1 47 LEU QD . . 5.100 3.576 3.104 3.887 . 0 0 "[ . 1 . 2]" 3
336 1 37 ILE HA 1 58 VAL QG . . 4.430 3.889 3.531 4.219 . 0 0 "[ . 1 . 2]" 3
337 1 37 ILE MG 1 45 LEU QB . . 3.820 2.070 1.959 2.327 . 0 0 "[ . 1 . 2]" 3
338 1 37 ILE MG 1 45 LEU QD . . 3.970 1.888 1.721 2.067 . 0 0 "[ . 1 . 2]" 3
339 1 37 ILE MG 1 47 LEU QD . . 5.440 3.960 3.388 4.272 . 0 0 "[ . 1 . 2]" 3
340 1 37 ILE HG12 1 47 LEU QD . . 5.440 4.327 3.978 4.646 . 0 0 "[ . 1 . 2]" 3
341 1 37 ILE MD 1 47 LEU QD . . 3.870 2.400 1.972 2.732 . 0 0 "[ . 1 . 2]" 3
342 1 37 ILE MD 1 58 VAL QG . . 3.630 1.772 1.629 2.084 . 0 0 "[ . 1 . 2]" 3
343 1 38 LYS H 1 38 LYS QB . . 3.290 2.367 2.289 2.740 . 0 0 "[ . 1 . 2]" 3
344 1 38 LYS H 1 38 LYS QG . . 4.040 3.482 2.136 3.969 . 0 0 "[ . 1 . 2]" 3
345 1 38 LYS H 1 38 LYS QD . . 5.340 4.517 3.875 4.925 . 0 0 "[ . 1 . 2]" 3
346 1 38 LYS H 1 38 LYS QE . . 5.340 4.690 3.314 5.249 . 0 0 "[ . 1 . 2]" 3
347 1 38 LYS H 1 45 LEU QB . . 5.110 4.558 4.310 4.873 . 0 0 "[ . 1 . 2]" 3
348 1 38 LYS H 1 46 SER QB . . 5.070 4.335 3.927 4.845 . 0 0 "[ . 1 . 2]" 3
349 1 38 LYS H 1 47 LEU QD . . 4.860 4.592 4.194 4.875 0.015 11 0 "[ . 1 . 2]" 3
350 1 38 LYS QB 1 39 ALA H . . 3.960 3.462 2.610 3.775 . 0 0 "[ . 1 . 2]" 3
351 1 38 LYS QB 1 46 SER H . . 4.230 3.853 3.486 4.360 0.130 1 0 "[ . 1 . 2]" 3
352 1 38 LYS QB 1 46 SER QB . . 5.180 3.977 3.193 5.047 . 0 0 "[ . 1 . 2]" 3
353 1 38 LYS QB 1 48 THR H . . 5.340 4.773 4.289 5.347 0.007 19 0 "[ . 1 . 2]" 3
354 1 38 LYS QG 1 39 ALA H . . 4.200 2.877 2.444 4.236 0.036 1 0 "[ . 1 . 2]" 3
355 1 38 LYS QG 1 39 ALA HA . . 5.340 3.827 3.347 4.406 . 0 0 "[ . 1 . 2]" 3
356 1 38 LYS QG 1 46 SER H . . 4.810 4.148 2.372 4.835 0.025 11 0 "[ . 1 . 2]" 3
357 1 38 LYS QG 1 46 SER QB . . 5.180 3.998 2.382 5.177 . 0 0 "[ . 1 . 2]" 3
358 1 38 LYS QD 1 39 ALA H . . 4.760 4.518 3.517 4.820 0.060 14 0 "[ . 1 . 2]" 3
359 1 38 LYS QD 1 48 THR HA . . 5.340 4.470 3.119 5.365 0.025 1 0 "[ . 1 . 2]" 3
360 1 38 LYS QE 1 39 ALA H . . 5.340 4.850 3.609 5.358 0.018 10 0 "[ . 1 . 2]" 3
361 1 38 LYS QE 1 48 THR MG . . 5.340 3.646 2.156 5.255 . 0 0 "[ . 1 . 2]" 3
362 1 39 ALA H 1 45 LEU QD . . 4.630 4.326 4.077 4.666 0.036 14 0 "[ . 1 . 2]" 3
363 1 39 ALA HA 1 45 LEU QB . . 5.340 4.777 4.690 4.962 . 0 0 "[ . 1 . 2]" 3
364 1 39 ALA HA 1 45 LEU QD . . 3.660 2.751 2.610 2.894 . 0 0 "[ . 1 . 2]" 3
365 1 39 ALA MB 1 43 CYS QB . . 5.340 4.369 3.775 4.707 . 0 0 "[ . 1 . 2]" 3
366 1 39 ALA MB 1 45 LEU QD . . 3.770 2.638 2.379 2.846 . 0 0 "[ . 1 . 2]" 3
367 1 40 THR H 1 44 GLY QA . . 4.530 3.390 3.195 3.702 . 0 0 "[ . 1 . 2]" 3
368 1 40 THR H 1 45 LEU QD . . 4.260 4.002 3.825 4.153 . 0 0 "[ . 1 . 2]" 3
369 1 40 THR MG 1 44 GLY QA . . 4.170 2.845 2.061 4.078 . 0 0 "[ . 1 . 2]" 3
370 1 41 SER QB 1 43 CYS H . . 5.130 4.529 4.388 4.786 . 0 0 "[ . 1 . 2]" 3
371 1 42 SER QB 1 43 CYS H . . 3.990 3.751 3.603 3.987 . 0 0 "[ . 1 . 2]" 3
372 1 43 CYS H 1 44 GLY QA . . 5.340 4.502 4.471 4.527 . 0 0 "[ . 1 . 2]" 3
373 1 43 CYS H 1 45 LEU QD . . 5.440 5.484 5.465 5.509 0.069 12 0 "[ . 1 . 2]" 3
374 1 43 CYS HA 1 45 LEU QD . . 4.820 3.882 3.816 4.020 . 0 0 "[ . 1 . 2]" 3
375 1 43 CYS QB 1 45 LEU QD . . 4.760 3.965 3.707 4.522 . 0 0 "[ . 1 . 2]" 3
376 1 44 GLY H 1 45 LEU QD . . 5.440 4.470 4.386 4.537 . 0 0 "[ . 1 . 2]" 3
377 1 44 GLY QA 1 45 LEU H . . 2.980 2.117 2.110 2.143 . 0 0 "[ . 1 . 2]" 3
378 1 44 GLY QA 1 45 LEU QB . . 5.180 4.243 4.205 4.282 . 0 0 "[ . 1 . 2]" 3
379 1 44 GLY QA 1 45 LEU HG . . 5.340 3.866 3.708 3.993 . 0 0 "[ . 1 . 2]" 3
380 1 44 GLY QA 1 45 LEU QD . . 4.760 3.594 3.336 3.772 . 0 0 "[ . 1 . 2]" 3
381 1 45 LEU H 1 45 LEU QB . . 3.120 2.496 2.445 2.557 . 0 0 "[ . 1 . 2]" 3
382 1 45 LEU H 1 45 LEU QD . . 3.660 2.899 2.776 3.037 . 0 0 "[ . 1 . 2]" 3
383 1 45 LEU HA 1 45 LEU QD . . 3.490 2.013 1.934 2.095 . 0 0 "[ . 1 . 2]" 3
384 1 45 LEU HA 1 46 SER QB . . 5.340 3.968 3.841 4.634 . 0 0 "[ . 1 . 2]" 3
385 1 45 LEU QB 1 46 SER H . . 3.550 2.714 2.625 2.829 . 0 0 "[ . 1 . 2]" 3
386 1 45 LEU QB 1 46 SER HA . . 5.340 3.885 3.864 3.927 . 0 0 "[ . 1 . 2]" 3
387 1 45 LEU QB 1 58 VAL H . . 5.340 5.390 5.361 5.419 0.079 13 0 "[ . 1 . 2]" 3
388 1 45 LEU QB 1 58 VAL QG . . 3.590 2.096 1.718 2.386 . 0 0 "[ . 1 . 2]" 3
389 1 45 LEU QB 1 59 GLN H . . 4.740 4.658 4.510 4.762 0.022 19 0 "[ . 1 . 2]" 3
390 1 45 LEU HG 1 58 VAL QG . . 5.440 3.919 3.250 4.389 . 0 0 "[ . 1 . 2]" 3
391 1 45 LEU QD 1 46 SER H . . 3.670 3.404 3.315 3.514 . 0 0 "[ . 1 . 2]" 3
392 1 45 LEU QD 1 58 VAL HB . . 3.720 3.157 2.465 3.980 0.260 5 0 "[ . 1 . 2]" 3
393 1 45 LEU QD 1 59 GLN H . . 3.170 3.090 2.858 3.179 0.009 10 0 "[ . 1 . 2]" 3
394 1 45 LEU QD 1 59 GLN HA . . 4.330 3.199 2.864 3.525 . 0 0 "[ . 1 . 2]" 3
395 1 45 LEU QD 1 60 SER H . . 5.440 3.136 2.771 3.788 . 0 0 "[ . 1 . 2]" 3
396 1 45 LEU QD 1 60 SER HA . . 3.620 2.027 1.899 2.736 . 0 0 "[ . 1 . 2]" 3
397 1 45 LEU QD 1 60 SER QB . . 4.830 2.967 2.651 3.665 . 0 0 "[ . 1 . 2]" 3
398 1 46 SER HA 1 47 LEU QD . . 5.300 3.687 3.345 3.974 . 0 0 "[ . 1 . 2]" 3
399 1 46 SER HA 1 58 VAL QG . . 5.440 3.312 2.819 4.019 . 0 0 "[ . 1 . 2]" 3
400 1 46 SER QB 1 47 LEU H . . 3.380 3.084 2.731 3.395 0.015 20 0 "[ . 1 . 2]" 3
401 1 46 SER QB 1 58 VAL QG . . 5.280 4.579 4.003 5.163 . 0 0 "[ . 1 . 2]" 3
402 1 47 LEU H 1 47 LEU QB . . 3.090 2.057 2.023 2.098 . 0 0 "[ . 1 . 2]" 3
403 1 47 LEU H 1 47 LEU QD . . 4.430 2.597 2.277 2.983 . 0 0 "[ . 1 . 2]" 3
404 1 47 LEU H 1 58 VAL QG . . 4.980 4.015 3.629 4.739 . 0 0 "[ . 1 . 2]" 3
405 1 47 LEU QB 1 48 THR H . . 3.530 2.587 2.215 2.806 . 0 0 "[ . 1 . 2]" 3
406 1 47 LEU QB 1 48 THR HA . . 5.340 4.107 3.906 4.298 . 0 0 "[ . 1 . 2]" 3
407 1 47 LEU QB 1 49 ASN H . . 5.340 4.062 3.630 4.435 . 0 0 "[ . 1 . 2]" 3
408 1 47 LEU QB 1 50 GLN H . . 3.730 2.649 2.390 2.932 . 0 0 "[ . 1 . 2]" 3
409 1 47 LEU QB 1 50 GLN QG . . 4.760 4.545 4.148 4.763 0.003 17 0 "[ . 1 . 2]" 3
410 1 47 LEU QB 1 51 VAL HA . . 5.340 3.957 3.208 4.424 . 0 0 "[ . 1 . 2]" 3
411 1 47 LEU HG 1 50 GLN QG . . 5.220 4.892 4.484 5.240 0.020 19 0 "[ . 1 . 2]" 3
412 1 47 LEU QD 1 48 THR H . . 4.450 3.154 1.913 3.689 . 0 0 "[ . 1 . 2]" 3
413 1 47 LEU QD 1 50 GLN H . . 4.300 3.470 3.167 3.864 . 0 0 "[ . 1 . 2]" 3
414 1 47 LEU QD 1 50 GLN QB . . 4.160 1.944 1.796 2.351 . 0 0 "[ . 1 . 2]" 3
415 1 47 LEU QD 1 50 GLN QG . . 4.280 3.631 3.396 3.819 . 0 0 "[ . 1 . 2]" 3
416 1 47 LEU QD 1 51 VAL H . . 4.390 3.342 2.819 3.999 . 0 0 "[ . 1 . 2]" 3
417 1 47 LEU QD 1 51 VAL HA . . 3.640 3.011 2.481 3.670 0.030 19 0 "[ . 1 . 2]" 3
418 1 47 LEU QD 1 51 VAL HB . . 5.440 4.678 4.307 5.242 . 0 0 "[ . 1 . 2]" 3
419 1 47 LEU QD 1 52 PHE H . . 3.860 3.628 2.597 3.875 0.015 19 0 "[ . 1 . 2]" 3
420 1 47 LEU QD 1 58 VAL QG . . 4.560 2.610 2.278 3.860 . 0 0 "[ . 1 . 2]" 3
421 1 48 THR H 1 50 GLN QG . . 5.340 4.308 3.781 4.993 . 0 0 "[ . 1 . 2]" 3
422 1 48 THR MG 1 49 ASN QB . . 4.400 3.245 2.609 4.149 . 0 0 "[ . 1 . 2]" 3
423 1 49 ASN QB 1 50 GLN H . . 4.310 3.787 3.630 3.945 . 0 0 "[ . 1 . 2]" 3
424 1 50 GLN H 1 50 GLN QG . . 3.710 3.540 3.213 3.719 0.009 2 0 "[ . 1 . 2]" 3
425 1 50 GLN H 1 51 VAL QG . . 5.440 4.450 4.186 4.739 . 0 0 "[ . 1 . 2]" 3
426 1 50 GLN HA 1 51 VAL QG . . 4.560 3.212 3.097 3.353 . 0 0 "[ . 1 . 2]" 3
427 1 50 GLN QB 1 51 VAL H . . 3.330 2.458 1.934 2.842 . 0 0 "[ . 1 . 2]" 3
428 1 50 GLN QG 1 51 VAL H . . 3.750 3.721 3.620 3.762 0.012 2 0 "[ . 1 . 2]" 3
429 1 51 VAL H 1 51 VAL QG . . 3.150 2.045 1.921 2.385 . 0 0 "[ . 1 . 2]" 3
430 1 51 VAL QG 1 52 PHE H . . 3.660 2.872 1.879 3.434 . 0 0 "[ . 1 . 2]" 3
431 1 51 VAL QG 1 53 ILE H . . 5.120 5.033 4.762 5.126 0.006 2 0 "[ . 1 . 2]" 3
432 1 52 PHE H 1 52 PHE QB . . 3.160 2.544 2.178 2.774 . 0 0 "[ . 1 . 2]" 3
433 1 52 PHE HA 1 53 ILE QG . . 5.260 3.521 3.266 3.945 . 0 0 "[ . 1 . 2]" 3
434 1 52 PHE QB 1 53 ILE H . . 3.690 2.443 2.203 3.808 0.118 19 0 "[ . 1 . 2]" 3
435 1 53 ILE H 1 53 ILE QG . . 3.460 2.227 2.135 2.276 . 0 0 "[ . 1 . 2]" 3
436 1 53 ILE H 1 54 ASN QB . . 5.340 4.405 4.235 4.611 . 0 0 "[ . 1 . 2]" 3
437 1 53 ILE H 1 56 GLU QB . . 4.440 2.683 1.934 3.914 . 0 0 "[ . 1 . 2]" 3
438 1 53 ILE MG 1 54 ASN QB . . 5.340 4.748 4.572 5.011 . 0 0 "[ . 1 . 2]" 3
439 1 53 ILE QG 1 54 ASN H . . 4.850 3.903 3.584 4.268 . 0 0 "[ . 1 . 2]" 3
440 1 53 ILE QG 1 54 ASN QB . . 4.530 3.488 2.908 3.720 . 0 0 "[ . 1 . 2]" 3
441 1 53 ILE QG 1 56 GLU H . . 5.290 4.395 3.654 4.748 . 0 0 "[ . 1 . 2]" 3
442 1 53 ILE MD 1 54 ASN QB . . 5.300 2.638 1.998 3.397 . 0 0 "[ . 1 . 2]" 3
443 1 54 ASN QB 1 56 GLU H . . 3.960 3.581 3.263 3.846 . 0 0 "[ . 1 . 2]" 3
444 1 54 ASN QB 1 56 GLU QG . . 3.640 2.395 2.057 3.130 . 0 0 "[ . 1 . 2]" 3
445 1 55 GLY H 1 56 GLU QG . . 4.670 4.418 4.168 4.579 . 0 0 "[ . 1 . 2]" 3
446 1 56 GLU H 1 56 GLU QB . . 3.570 2.310 2.219 2.515 . 0 0 "[ . 1 . 2]" 3
447 1 56 GLU H 1 56 GLU QG . . 3.000 2.719 2.349 2.906 . 0 0 "[ . 1 . 2]" 3
448 1 56 GLU HA 1 56 GLU QG . . 3.690 2.226 2.104 2.399 . 0 0 "[ . 1 . 2]" 3
449 1 56 GLU QG 1 57 SER H . . 5.330 3.938 3.813 4.144 . 0 0 "[ . 1 . 2]" 3
450 1 57 SER HA 1 58 VAL QG . . 5.260 3.231 3.054 4.108 . 0 0 "[ . 1 . 2]" 3
451 1 57 SER QB 1 58 VAL QG . . 4.850 3.775 3.441 4.048 . 0 0 "[ . 1 . 2]" 3
452 1 58 VAL H 1 58 VAL QG . . 3.350 2.172 1.889 2.489 . 0 0 "[ . 1 . 2]" 3
453 1 59 GLN H 1 59 GLN QB . . 3.390 2.573 2.498 3.006 . 0 0 "[ . 1 . 2]" 3
454 1 59 GLN H 1 59 GLN QG . . 4.210 3.659 2.459 3.865 . 0 0 "[ . 1 . 2]" 3
455 1 59 GLN QB 1 60 SER H . . 3.870 2.972 2.696 3.294 . 0 0 "[ . 1 . 2]" 3
456 1 59 GLN QG 1 60 SER H . . 4.300 3.962 3.274 4.146 . 0 0 "[ . 1 . 2]" 3
457 1 60 SER HA 1 61 GLY QA . . 4.460 3.947 3.908 3.970 . 0 0 "[ . 1 . 2]" 3
458 1 60 SER QB 1 61 GLY H . . 4.040 3.799 3.383 4.002 . 0 0 "[ . 1 . 2]" 3
459 1 60 SER QB 1 62 GLY H . . 4.650 3.346 2.725 3.941 . 0 0 "[ . 1 . 2]" 3
460 1 62 GLY QA 1 63 ARG H . . 3.000 2.141 2.109 2.234 . 0 0 "[ . 1 . 2]" 3
461 1 62 GLY QA 1 63 ARG QG . . 4.760 3.965 3.697 4.259 . 0 0 "[ . 1 . 2]" 3
462 1 63 ARG H 1 63 ARG QB . . 3.370 2.591 2.205 3.080 . 0 0 "[ . 1 . 2]" 3
463 1 63 ARG H 1 63 ARG QG . . 3.760 2.689 2.175 3.452 . 0 0 "[ . 1 . 2]" 3
464 1 63 ARG H 1 63 ARG QD . . 5.340 3.205 2.001 4.698 . 0 0 "[ . 1 . 2]" 3
465 1 63 ARG HA 1 63 ARG QD . . 4.260 3.375 2.413 3.843 . 0 0 "[ . 1 . 2]" 3
466 1 63 ARG QB 1 64 CYS H . . 3.240 2.739 2.573 2.882 . 0 0 "[ . 1 . 2]" 3
467 1 63 ARG QG 1 64 CYS H . . 4.200 3.984 3.663 4.173 . 0 0 "[ . 1 . 2]" 3
468 1 63 ARG QD 1 64 CYS H . . 5.070 4.156 2.784 5.116 0.046 16 0 "[ . 1 . 2]" 3
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