NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
453693 |
2yt8   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2yt8
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 1575
_Distance_constraint_stats_list.Viol_count 301
_Distance_constraint_stats_list.Viol_total 278.717
_Distance_constraint_stats_list.Viol_max 0.740
_Distance_constraint_stats_list.Viol_rms 0.0127
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0463
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.014 0.014 18 0 "[ . 1 . 2]"
1 10 THR 0.042 0.018 18 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ILE 0.001 0.001 19 0 "[ . 1 . 2]"
1 13 ILE 0.013 0.002 4 0 "[ . 1 . 2]"
1 14 HIS 0.002 0.001 5 0 "[ . 1 . 2]"
1 15 ARG 0.015 0.006 15 0 "[ . 1 . 2]"
1 16 PRO 0.263 0.042 14 0 "[ . 1 . 2]"
1 17 HIS 0.291 0.042 14 0 "[ . 1 . 2]"
1 18 ALA 0.029 0.011 14 0 "[ . 1 . 2]"
1 19 ARG 0.170 0.078 19 0 "[ . 1 . 2]"
1 20 GLU 0.227 0.078 19 0 "[ . 1 . 2]"
1 21 GLN 0.057 0.011 18 0 "[ . 1 . 2]"
1 22 LEU 0.745 0.059 18 0 "[ . 1 . 2]"
1 23 GLY 8.359 0.740 11 8 "[* *- * *+* . * 2]"
1 24 PHE 8.374 0.740 11 8 "[* *- * *+* . * 2]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 VAL 0.048 0.018 12 0 "[ . 1 . 2]"
1 27 GLU 0.039 0.018 12 0 "[ . 1 . 2]"
1 28 ASP 0.001 0.001 7 0 "[ . 1 . 2]"
1 29 GLY 0.004 0.004 15 0 "[ . 1 . 2]"
1 30 ILE 0.026 0.009 18 0 "[ . 1 . 2]"
1 31 ILE 0.000 0.000 13 0 "[ . 1 . 2]"
1 32 CYS 0.001 0.001 6 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 LEU 0.004 0.004 18 0 "[ . 1 . 2]"
1 35 LEU 0.006 0.002 4 0 "[ . 1 . 2]"
1 36 ARG 0.050 0.023 9 0 "[ . 1 . 2]"
1 37 GLY 0.002 0.002 12 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 15 0 "[ . 1 . 2]"
1 39 ILE 0.028 0.006 15 0 "[ . 1 . 2]"
1 40 ALA 0.008 0.002 4 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ARG 0.000 0.000 16 0 "[ . 1 . 2]"
1 43 GLY 0.003 0.002 18 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.008 0.002 18 0 "[ . 1 . 2]"
1 46 ARG 0.010 0.007 4 0 "[ . 1 . 2]"
1 47 VAL 0.013 0.007 4 0 "[ . 1 . 2]"
1 48 GLY 0.002 0.001 4 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ARG 0.014 0.008 18 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ILE 0.031 0.019 18 0 "[ . 1 . 2]"
1 53 GLU 0.066 0.035 18 0 "[ . 1 . 2]"
1 54 ILE 0.163 0.033 4 0 "[ . 1 . 2]"
1 55 ASN 0.002 0.002 11 0 "[ . 1 . 2]"
1 56 GLY 0.009 0.009 18 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 3 0 "[ . 1 . 2]"
1 58 SER 0.000 0.000 3 0 "[ . 1 . 2]"
1 59 VAL 0.001 0.001 19 0 "[ . 1 . 2]"
1 60 VAL 0.005 0.003 15 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PRO 0.006 0.006 19 0 "[ . 1 . 2]"
1 64 HIS 0.013 0.012 19 0 "[ . 1 . 2]"
1 65 ALA 0.019 0.012 19 0 "[ . 1 . 2]"
1 66 ARG 0.030 0.016 15 0 "[ . 1 . 2]"
1 67 ILE 0.012 0.007 18 0 "[ . 1 . 2]"
1 68 ILE 0.009 0.006 18 0 "[ . 1 . 2]"
1 69 GLU 0.003 0.003 13 0 "[ . 1 . 2]"
1 70 LEU 0.033 0.014 18 0 "[ . 1 . 2]"
1 71 LEU 0.022 0.014 18 0 "[ . 1 . 2]"
1 72 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.012 0.009 15 0 "[ . 1 . 2]"
1 75 TYR 0.038 0.008 15 0 "[ . 1 . 2]"
1 76 GLY 0.009 0.008 15 0 "[ . 1 . 2]"
1 77 GLU 0.002 0.001 5 0 "[ . 1 . 2]"
1 78 VAL 0.009 0.004 18 0 "[ . 1 . 2]"
1 79 HIS 0.002 0.002 11 0 "[ . 1 . 2]"
1 80 ILE 0.024 0.006 18 0 "[ . 1 . 2]"
1 81 LYS 0.080 0.035 18 0 "[ . 1 . 2]"
1 82 THR 0.030 0.019 18 0 "[ . 1 . 2]"
1 83 MET 0.015 0.008 13 0 "[ . 1 . 2]"
1 84 PRO 0.008 0.008 13 0 "[ . 1 . 2]"
1 85 ALA 0.048 0.009 18 0 "[ . 1 . 2]"
1 86 ALA 0.017 0.007 15 0 "[ . 1 . 2]"
1 87 THR 0.001 0.001 12 0 "[ . 1 . 2]"
1 88 TYR 0.016 0.005 18 0 "[ . 1 . 2]"
1 89 ARG 0.119 0.036 5 0 "[ . 1 . 2]"
1 90 LEU 0.007 0.004 1 0 "[ . 1 . 2]"
1 91 LEU 0.006 0.004 4 0 "[ . 1 . 2]"
1 92 THR 3.488 0.364 7 0 "[ . 1 . 2]"
1 93 GLY 3.488 0.364 7 0 "[ . 1 . 2]"
1 94 GLN 0.028 0.019 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 35 LEU HA 1 36 ARG H . . 3.080 2.169 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
2 1 77 GLU HA 1 78 VAL H . . 3.050 2.161 2.138 2.243 . 0 0 "[ . 1 . 2]" 1
3 1 78 VAL H 1 78 VAL HB . . 3.550 2.626 2.480 2.788 . 0 0 "[ . 1 . 2]" 1
4 1 54 ILE HA 1 55 ASN H . . 3.150 2.189 2.145 2.250 . 0 0 "[ . 1 . 2]" 1
5 1 78 VAL HA 1 79 HIS H . . 2.950 2.167 2.140 2.203 . 0 0 "[ . 1 . 2]" 1
6 1 79 HIS H 1 79 HIS HB3 . . 3.980 3.588 3.514 3.693 . 0 0 "[ . 1 . 2]" 1
7 1 26 VAL HA 1 32 CYS H . . 3.910 3.387 3.282 3.522 . 0 0 "[ . 1 . 2]" 1
8 1 30 ILE HA 1 31 ILE H . . 3.390 2.141 2.139 2.144 . 0 0 "[ . 1 . 2]" 1
9 1 84 PRO HA 1 85 ALA H . . 3.230 2.160 2.151 2.178 . 0 0 "[ . 1 . 2]" 1
10 1 15 ARG H 1 15 ARG HB2 . . 3.760 2.540 2.359 2.725 . 0 0 "[ . 1 . 2]" 1
11 1 15 ARG H 1 15 ARG HB3 . . 4.150 3.691 3.559 3.770 . 0 0 "[ . 1 . 2]" 1
12 1 76 GLY HA3 1 77 GLU H . . 3.510 2.143 2.136 2.167 . 0 0 "[ . 1 . 2]" 1
13 1 76 GLY HA2 1 77 GLU H . . 3.510 3.285 3.188 3.383 . 0 0 "[ . 1 . 2]" 1
14 1 77 GLU H 1 77 GLU HB3 . . 3.670 2.784 2.369 3.500 . 0 0 "[ . 1 . 2]" 1
15 1 77 GLU H 1 77 GLU HB2 . . 3.670 2.375 2.199 2.733 . 0 0 "[ . 1 . 2]" 1
16 1 26 VAL HA 1 27 GLU H . . 3.300 2.183 2.149 2.241 . 0 0 "[ . 1 . 2]" 1
17 1 79 HIS HA 1 80 ILE H . . 3.140 2.165 2.140 2.222 . 0 0 "[ . 1 . 2]" 1
18 1 80 ILE H 1 80 ILE HB . . 3.650 2.560 2.412 2.816 . 0 0 "[ . 1 . 2]" 1
19 1 13 ILE HA 1 14 HIS H . . 3.100 2.257 2.146 2.370 . 0 0 "[ . 1 . 2]" 1
20 1 14 HIS H 1 14 HIS HB2 . . 3.380 2.381 2.199 2.510 . 0 0 "[ . 1 . 2]" 1
21 1 81 LYS H 1 81 LYS HB2 . . 3.950 2.499 2.333 2.642 . 0 0 "[ . 1 . 2]" 1
22 1 35 LEU H 1 35 LEU HB2 . . 3.590 2.550 2.344 2.654 . 0 0 "[ . 1 . 2]" 1
23 1 35 LEU H 1 35 LEU HB3 . . 3.590 2.476 2.374 2.695 . 0 0 "[ . 1 . 2]" 1
24 1 26 VAL H 1 26 VAL MG2 . . 3.550 2.789 2.579 3.039 . 0 0 "[ . 1 . 2]" 1
25 1 26 VAL H 1 26 VAL HB . . 3.610 2.528 2.465 2.592 . 0 0 "[ . 1 . 2]" 1
26 1 52 ILE H 1 53 GLU H . . 3.530 1.891 1.814 2.187 . 0 0 "[ . 1 . 2]" 1
27 1 52 ILE HG13 1 53 GLU H . . 3.670 2.545 2.206 2.841 . 0 0 "[ . 1 . 2]" 1
28 1 94 GLN H 1 94 GLN HG2 . . 4.600 3.282 1.960 4.542 . 0 0 "[ . 1 . 2]" 1
29 1 94 GLN H 1 94 GLN HG3 . . 4.600 3.272 1.994 4.295 . 0 0 "[ . 1 . 2]" 1
30 1 12 ILE HA 1 13 ILE H . . 3.060 2.175 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
31 1 13 ILE H 1 13 ILE HB . . 3.760 2.671 2.528 2.831 . 0 0 "[ . 1 . 2]" 1
32 1 40 ALA H 1 41 GLU H . . 3.730 3.129 3.008 3.297 . 0 0 "[ . 1 . 2]" 1
33 1 39 ILE H 1 40 ALA H . . 3.760 2.364 2.221 2.553 . 0 0 "[ . 1 . 2]" 1
34 1 87 THR H 1 88 TYR H . . 3.490 3.079 2.907 3.222 . 0 0 "[ . 1 . 2]" 1
35 1 87 THR HB 1 88 TYR H . . 3.570 2.081 1.928 2.274 . 0 0 "[ . 1 . 2]" 1
36 1 88 TYR H 1 88 TYR HB2 . . 3.630 2.210 2.173 2.272 . 0 0 "[ . 1 . 2]" 1
37 1 88 TYR H 1 88 TYR HB3 . . 3.630 2.976 2.867 3.064 . 0 0 "[ . 1 . 2]" 1
38 1 69 GLU H 1 70 LEU H . . 3.650 2.688 2.478 2.911 . 0 0 "[ . 1 . 2]" 1
39 1 69 GLU H 1 69 GLU HB2 . . 3.550 2.216 2.182 2.304 . 0 0 "[ . 1 . 2]" 1
40 1 69 GLU H 1 69 GLU HB3 . . 3.550 3.511 3.487 3.553 0.003 13 0 "[ . 1 . 2]" 1
41 1 68 ILE HB 1 69 GLU H . . 3.680 2.521 2.301 2.777 . 0 0 "[ . 1 . 2]" 1
42 1 64 HIS H 1 64 HIS HB2 . . 3.640 2.540 2.427 2.706 . 0 0 "[ . 1 . 2]" 1
43 1 64 HIS H 1 64 HIS HB3 . . 3.690 2.577 2.369 2.736 . 0 0 "[ . 1 . 2]" 1
44 1 73 GLU H 1 74 ALA H . . 3.160 2.660 2.531 2.734 . 0 0 "[ . 1 . 2]" 1
45 1 71 LEU HA 1 74 ALA H . . 3.770 3.616 3.446 3.766 . 0 0 "[ . 1 . 2]" 1
46 1 74 ALA H 1 74 ALA MB . . 2.870 2.192 2.035 2.331 . 0 0 "[ . 1 . 2]" 1
47 1 50 ARG H 1 50 ARG HB2 . . 4.130 2.893 2.432 3.089 . 0 0 "[ . 1 . 2]" 1
48 1 53 GLU HA 1 54 ILE H . . 3.070 2.269 2.163 2.348 . 0 0 "[ . 1 . 2]" 1
49 1 53 GLU HG2 1 54 ILE H . . 3.790 2.328 1.967 2.918 . 0 0 "[ . 1 . 2]" 1
50 1 54 ILE H 1 54 ILE HB . . 4.040 3.943 3.811 3.991 . 0 0 "[ . 1 . 2]" 1
51 1 22 LEU H 1 22 LEU HG . . 3.520 3.412 3.183 3.520 0.000 18 0 "[ . 1 . 2]" 1
52 1 22 LEU H 1 22 LEU HB2 . . 3.510 2.315 2.278 2.420 . 0 0 "[ . 1 . 2]" 1
53 1 45 ILE H 1 45 ILE HB . . 3.220 2.524 2.433 2.583 . 0 0 "[ . 1 . 2]" 1
54 1 45 ILE H 1 45 ILE HG12 . . 3.900 2.293 1.991 2.480 . 0 0 "[ . 1 . 2]" 1
55 1 45 ILE H 1 45 ILE HG13 . . 3.900 3.665 3.416 3.870 . 0 0 "[ . 1 . 2]" 1
56 1 40 ALA MB 1 41 GLU H . . 3.630 2.159 1.888 2.387 . 0 0 "[ . 1 . 2]" 1
57 1 41 GLU H 1 41 GLU HB3 . . 3.380 2.818 2.640 3.006 . 0 0 "[ . 1 . 2]" 1
58 1 41 GLU H 1 41 GLU HB2 . . 3.590 2.304 2.177 2.429 . 0 0 "[ . 1 . 2]" 1
59 1 12 ILE H 1 12 ILE HB . . 3.450 2.686 2.522 2.808 . 0 0 "[ . 1 . 2]" 1
60 1 9 THR HA 1 10 THR H . . 2.890 2.154 2.140 2.205 . 0 0 "[ . 1 . 2]" 1
61 1 9 THR MG 1 10 THR H . . 3.400 2.726 2.023 3.085 . 0 0 "[ . 1 . 2]" 1
62 1 57 GLN HA 1 58 SER H . . 3.230 2.145 2.138 2.176 . 0 0 "[ . 1 . 2]" 1
63 1 58 SER H 1 58 SER HB3 . . 3.790 2.838 2.451 3.602 . 0 0 "[ . 1 . 2]" 1
64 1 58 SER H 1 58 SER HB2 . . 3.790 3.131 2.267 3.601 . 0 0 "[ . 1 . 2]" 1
65 1 27 GLU H 1 30 ILE H . . 3.730 2.529 2.353 2.830 . 0 0 "[ . 1 . 2]" 1
66 1 26 VAL MG1 1 30 ILE H . . 3.230 2.262 2.047 2.452 . 0 0 "[ . 1 . 2]" 1
67 1 30 ILE H 1 30 ILE HB . . 3.160 2.808 2.730 2.966 . 0 0 "[ . 1 . 2]" 1
68 1 67 ILE H 1 67 ILE HG12 . . 4.170 3.424 3.160 3.763 . 0 0 "[ . 1 . 2]" 1
69 1 33 SER HA 1 34 LEU H . . 2.990 2.339 2.274 2.386 . 0 0 "[ . 1 . 2]" 1
70 1 33 SER HB3 1 34 LEU H . . 4.060 3.321 2.500 4.049 . 0 0 "[ . 1 . 2]" 1
71 1 33 SER HB2 1 34 LEU H . . 4.060 3.589 2.639 4.050 . 0 0 "[ . 1 . 2]" 1
72 1 34 LEU H 1 34 LEU HB3 . . 3.790 2.979 2.853 3.060 . 0 0 "[ . 1 . 2]" 1
73 1 34 LEU H 1 34 LEU HB2 . . 3.850 2.894 2.812 3.044 . 0 0 "[ . 1 . 2]" 1
74 1 34 LEU H 1 47 VAL MG1 . . 3.760 2.929 2.580 3.126 . 0 0 "[ . 1 . 2]" 1
75 1 8 VAL H 1 8 VAL HB . . 2.930 2.585 2.478 2.852 . 0 0 "[ . 1 . 2]" 1
76 1 8 VAL H 1 8 VAL MG2 . . 3.000 2.423 2.147 2.685 . 0 0 "[ . 1 . 2]" 1
77 1 56 GLY H 1 57 GLN H . . 3.540 2.520 2.348 2.765 . 0 0 "[ . 1 . 2]" 1
78 1 54 ILE H 1 57 GLN H . . 3.620 2.296 2.097 2.520 . 0 0 "[ . 1 . 2]" 1
79 1 57 GLN H 1 57 GLN HB2 . . 3.060 2.702 2.471 2.830 . 0 0 "[ . 1 . 2]" 1
80 1 90 LEU HB3 1 91 LEU H . . 4.210 3.567 3.362 3.751 . 0 0 "[ . 1 . 2]" 1
81 1 91 LEU H 1 91 LEU HB2 . . 3.090 2.498 2.319 2.616 . 0 0 "[ . 1 . 2]" 1
82 1 91 LEU H 1 91 LEU HG . . 3.280 2.290 2.025 2.689 . 0 0 "[ . 1 . 2]" 1
83 1 90 LEU H 1 91 LEU H . . 3.390 2.612 2.470 2.791 . 0 0 "[ . 1 . 2]" 1
84 1 89 ARG H 1 89 ARG HB2 . . 3.280 2.403 2.239 2.612 . 0 0 "[ . 1 . 2]" 1
85 1 46 ARG HA 1 47 VAL H . . 3.000 2.144 2.139 2.161 . 0 0 "[ . 1 . 2]" 1
86 1 89 ARG H 1 90 LEU H . . 3.650 2.879 2.740 3.013 . 0 0 "[ . 1 . 2]" 1
87 1 90 LEU H 1 90 LEU HB3 . . 3.710 3.522 3.476 3.576 . 0 0 "[ . 1 . 2]" 1
88 1 90 LEU H 1 90 LEU HG . . 3.370 2.799 2.385 3.114 . 0 0 "[ . 1 . 2]" 1
89 1 41 GLU H 1 42 ARG H . . 3.670 2.947 2.782 3.092 . 0 0 "[ . 1 . 2]" 1
90 1 42 ARG H 1 43 GLY H . . 3.550 2.619 2.373 2.841 . 0 0 "[ . 1 . 2]" 1
91 1 41 GLU HB3 1 42 ARG H . . 3.420 2.516 2.158 2.758 . 0 0 "[ . 1 . 2]" 1
92 1 42 ARG H 1 42 ARG HG3 . . 4.310 2.722 2.374 3.927 . 0 0 "[ . 1 . 2]" 1
93 1 59 VAL H 1 60 VAL H . . 3.480 2.127 1.858 2.587 . 0 0 "[ . 1 . 2]" 1
94 1 53 GLU HA 1 59 VAL H . . 3.600 2.413 2.150 2.753 . 0 0 "[ . 1 . 2]" 1
95 1 58 SER HA 1 59 VAL H . . 3.140 2.143 2.138 2.174 . 0 0 "[ . 1 . 2]" 1
96 1 48 GLY H 1 49 HIS H . . 3.660 2.838 2.206 3.165 . 0 0 "[ . 1 . 2]" 1
97 1 49 HIS H 1 49 HIS HB2 . . 4.170 2.288 2.207 2.508 . 0 0 "[ . 1 . 2]" 1
98 1 86 ALA H 1 86 ALA MB . . 3.640 2.180 2.122 2.220 . 0 0 "[ . 1 . 2]" 1
99 1 69 GLU HB3 1 70 LEU H . . 3.720 3.337 2.930 3.547 . 0 0 "[ . 1 . 2]" 1
100 1 70 LEU H 1 70 LEU HB2 . . 3.840 2.277 2.178 2.442 . 0 0 "[ . 1 . 2]" 1
101 1 70 LEU H 1 70 LEU HG . . 3.450 2.697 2.324 2.936 . 0 0 "[ . 1 . 2]" 1
102 1 61 ALA H 1 62 THR H . . 3.700 2.066 1.876 2.497 . 0 0 "[ . 1 . 2]" 1
103 1 62 THR H 1 62 THR HB . . 3.250 2.599 2.484 2.728 . 0 0 "[ . 1 . 2]" 1
104 1 61 ALA MB 1 62 THR H . . 3.650 2.907 2.563 3.589 . 0 0 "[ . 1 . 2]" 1
105 1 75 TYR H 1 75 TYR QD . . 3.560 2.372 1.899 2.854 . 0 0 "[ . 1 . 2]" 1
106 1 74 ALA HA 1 75 TYR H . . 2.730 2.145 2.141 2.178 . 0 0 "[ . 1 . 2]" 1
107 1 75 TYR H 1 75 TYR HB2 . . 3.680 2.797 2.575 2.892 . 0 0 "[ . 1 . 2]" 1
108 1 74 ALA MB 1 75 TYR H . . 3.430 3.264 3.046 3.358 . 0 0 "[ . 1 . 2]" 1
109 1 24 PHE HA 1 25 CYS H . . 3.210 2.180 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
110 1 24 PHE HB2 1 25 CYS H . . 3.500 3.158 2.910 3.461 . 0 0 "[ . 1 . 2]" 1
111 1 25 CYS H 1 25 CYS HB2 . . 3.950 2.546 2.293 2.922 . 0 0 "[ . 1 . 2]" 1
112 1 64 HIS H 1 65 ALA H . . 3.790 3.063 2.907 3.164 . 0 0 "[ . 1 . 2]" 1
113 1 64 HIS HB2 1 65 ALA H . . 3.830 3.782 3.667 3.842 0.012 19 0 "[ . 1 . 2]" 1
114 1 64 HIS HB3 1 65 ALA H . . 3.500 2.363 2.200 2.432 . 0 0 "[ . 1 . 2]" 1
115 1 73 GLU H 1 73 GLU HB2 . . 3.880 2.272 2.193 2.434 . 0 0 "[ . 1 . 2]" 1
116 1 71 LEU H 1 71 LEU HB2 . . 3.280 2.305 2.245 2.385 . 0 0 "[ . 1 . 2]" 1
117 1 71 LEU H 1 71 LEU HG . . 3.630 2.663 2.485 2.778 . 0 0 "[ . 1 . 2]" 1
118 1 65 ALA H 1 66 ARG H . . 3.670 3.164 2.969 3.255 . 0 0 "[ . 1 . 2]" 1
119 1 66 ARG H 1 67 ILE H . . 3.300 2.765 2.449 3.016 . 0 0 "[ . 1 . 2]" 1
120 1 66 ARG H 1 66 ARG HB2 . . 3.540 2.525 2.162 2.839 . 0 0 "[ . 1 . 2]" 1
121 1 66 ARG H 1 66 ARG HB3 . . 3.540 2.657 2.315 3.536 . 0 0 "[ . 1 . 2]" 1
122 1 65 ALA MB 1 66 ARG H . . 3.510 2.298 2.104 2.559 . 0 0 "[ . 1 . 2]" 1
123 1 82 THR HA 1 83 MET H . . 3.420 2.247 2.167 2.304 . 0 0 "[ . 1 . 2]" 1
124 1 82 THR HB 1 83 MET H . . 3.620 2.845 2.651 3.178 . 0 0 "[ . 1 . 2]" 1
125 1 82 THR MG 1 83 MET H . . 3.820 3.683 3.424 3.822 0.002 7 0 "[ . 1 . 2]" 1
126 1 38 GLY HA2 1 39 ILE H . . 3.500 2.961 2.704 3.079 . 0 0 "[ . 1 . 2]" 1
127 1 39 ILE H 1 39 ILE HG13 . . 3.840 2.013 1.898 2.143 . 0 0 "[ . 1 . 2]" 1
128 1 39 ILE H 1 39 ILE HG12 . . 3.560 3.263 2.834 3.464 . 0 0 "[ . 1 . 2]" 1
129 1 32 CYS H 1 33 SER H . . 3.340 2.191 2.010 2.416 . 0 0 "[ . 1 . 2]" 1
130 1 23 GLY H 1 24 PHE H . . 2.500 2.918 2.549 3.240 0.740 11 8 "[* *- * *+* . * 2]" 1
131 1 22 LEU HB2 1 24 PHE H . . 4.000 3.634 3.282 3.837 . 0 0 "[ . 1 . 2]" 1
132 1 24 PHE H 1 40 ALA MB . . 4.190 3.006 2.652 3.304 . 0 0 "[ . 1 . 2]" 1
133 1 72 THR H 1 73 GLU H . . 3.580 2.721 2.573 2.954 . 0 0 "[ . 1 . 2]" 1
134 1 72 THR H 1 72 THR HG1 . . 3.810 2.896 1.967 3.640 . 0 0 "[ . 1 . 2]" 1
135 1 71 LEU HB2 1 72 THR H . . 3.720 2.614 2.349 2.774 . 0 0 "[ . 1 . 2]" 1
136 1 47 VAL MG1 1 48 GLY H . . 4.160 3.826 3.687 4.055 . 0 0 "[ . 1 . 2]" 1
137 1 87 THR H 1 87 THR HB . . 3.380 2.707 2.567 2.835 . 0 0 "[ . 1 . 2]" 1
138 1 86 ALA MB 1 87 THR H . . 3.780 2.190 2.116 2.262 . 0 0 "[ . 1 . 2]" 1
139 1 75 TYR HA 1 76 GLY H . . 2.500 2.457 2.382 2.508 0.008 15 0 "[ . 1 . 2]" 1
140 1 75 TYR HB3 1 76 GLY H . . 3.570 2.476 2.328 2.633 . 0 0 "[ . 1 . 2]" 1
141 1 92 THR H 1 93 GLY H . . 2.500 2.674 2.526 2.864 0.364 7 0 "[ . 1 . 2]" 1
142 1 36 ARG HA 1 38 GLY H . . 4.100 3.893 3.563 4.080 . 0 0 "[ . 1 . 2]" 1
143 1 37 GLY H 1 38 GLY H . . 3.600 2.458 2.077 2.946 . 0 0 "[ . 1 . 2]" 1
144 1 40 ALA HA 1 43 GLY H . . 4.000 3.352 3.075 3.736 . 0 0 "[ . 1 . 2]" 1
145 1 43 GLY H 1 44 GLY H . . 3.620 2.696 2.537 2.827 . 0 0 "[ . 1 . 2]" 1
146 1 55 ASN HA 1 56 GLY H . . 3.460 2.891 2.761 2.968 . 0 0 "[ . 1 . 2]" 1
147 1 55 ASN H 1 56 GLY H . . 3.780 2.887 2.727 3.042 . 0 0 "[ . 1 . 2]" 1
148 1 53 GLU HG2 1 56 GLY H . . 3.720 3.256 2.860 3.729 0.009 18 0 "[ . 1 . 2]" 1
149 1 21 GLN H 1 21 GLN HG2 . . 4.160 2.639 1.907 3.635 . 0 0 "[ . 1 . 2]" 1
150 1 21 GLN H 1 21 GLN HG3 . . 4.160 2.983 1.961 3.850 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLN H 1 21 GLN HB2 . . 4.000 2.887 2.276 3.601 . 0 0 "[ . 1 . 2]" 1
152 1 22 LEU H 1 23 GLY H . . 3.920 2.220 2.031 2.417 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLN HB3 1 22 LEU H . . 4.180 2.649 1.917 3.691 . 0 0 "[ . 1 . 2]" 1
154 1 21 GLN HB2 1 22 LEU H . . 4.180 2.941 1.920 3.642 . 0 0 "[ . 1 . 2]" 1
155 1 22 LEU H 1 22 LEU MD1 . . 4.280 3.960 3.581 4.260 . 0 0 "[ . 1 . 2]" 1
156 1 22 LEU HB3 1 24 PHE H . . 3.920 2.773 2.572 2.950 . 0 0 "[ . 1 . 2]" 1
157 1 24 PHE H 1 24 PHE QD . . 4.020 2.117 1.907 2.334 . 0 0 "[ . 1 . 2]" 1
158 1 24 PHE H 1 25 CYS H . . 4.630 4.518 4.437 4.585 . 0 0 "[ . 1 . 2]" 1
159 1 25 CYS H 1 25 CYS HB3 . . 3.950 3.023 2.533 3.700 . 0 0 "[ . 1 . 2]" 1
160 1 24 PHE QD 1 25 CYS H . . 4.440 4.063 3.708 4.415 . 0 0 "[ . 1 . 2]" 1
161 1 25 CYS H 1 33 SER H . . 3.880 3.356 3.096 3.526 . 0 0 "[ . 1 . 2]" 1
162 1 25 CYS H 1 31 ILE MG . . 4.020 3.060 2.843 3.297 . 0 0 "[ . 1 . 2]" 1
163 1 26 VAL H 1 31 ILE HG12 . . 5.210 5.145 5.013 5.204 . 0 0 "[ . 1 . 2]" 1
164 1 25 CYS HB2 1 26 VAL H . . 4.530 4.361 4.234 4.478 . 0 0 "[ . 1 . 2]" 1
165 1 25 CYS HB3 1 26 VAL H . . 4.530 3.847 3.227 4.239 . 0 0 "[ . 1 . 2]" 1
166 1 26 VAL H 1 27 GLU H . . 4.500 4.468 4.388 4.518 0.018 12 0 "[ . 1 . 2]" 1
167 1 28 ASP HB2 1 30 ILE H . . 4.780 4.176 4.014 4.762 . 0 0 "[ . 1 . 2]" 1
168 1 28 ASP HB3 1 30 ILE H . . 4.780 4.618 3.787 4.774 . 0 0 "[ . 1 . 2]" 1
169 1 29 GLY H 1 30 ILE H . . 3.920 2.362 2.301 2.520 . 0 0 "[ . 1 . 2]" 1
170 1 26 VAL MG2 1 31 ILE H . . 4.030 3.851 3.575 4.018 . 0 0 "[ . 1 . 2]" 1
171 1 31 ILE H 1 31 ILE HG13 . . 3.900 1.984 1.900 2.295 . 0 0 "[ . 1 . 2]" 1
172 1 25 CYS H 1 32 CYS H . . 4.780 4.006 3.765 4.323 . 0 0 "[ . 1 . 2]" 1
173 1 33 SER H 1 47 VAL MG1 . . 4.140 3.303 3.173 3.517 . 0 0 "[ . 1 . 2]" 1
174 1 32 CYS HB3 1 33 SER H . . 4.800 2.409 2.044 3.434 . 0 0 "[ . 1 . 2]" 1
175 1 25 CYS HB3 1 33 SER H . . 4.560 2.916 2.266 4.141 . 0 0 "[ . 1 . 2]" 1
176 1 33 SER H 1 34 LEU H . . 4.730 4.495 4.447 4.532 . 0 0 "[ . 1 . 2]" 1
177 1 24 PHE HA 1 35 LEU H . . 4.120 2.879 2.778 2.958 . 0 0 "[ . 1 . 2]" 1
178 1 34 LEU HB2 1 35 LEU H . . 4.630 4.341 4.267 4.405 . 0 0 "[ . 1 . 2]" 1
179 1 35 LEU H 1 36 ARG H . . 4.720 4.429 4.209 4.624 . 0 0 "[ . 1 . 2]" 1
180 1 36 ARG HG3 1 37 GLY H . . 4.730 3.629 2.451 4.697 . 0 0 "[ . 1 . 2]" 1
181 1 37 GLY H 1 41 GLU HB3 . . 4.830 3.636 2.390 4.363 . 0 0 "[ . 1 . 2]" 1
182 1 38 GLY H 1 41 GLU HB3 . . 4.270 3.316 2.784 4.123 . 0 0 "[ . 1 . 2]" 1
183 1 35 LEU HG 1 38 GLY H . . 4.650 4.213 2.787 4.634 . 0 0 "[ . 1 . 2]" 1
184 1 38 GLY H 1 41 GLU H . . 4.830 4.006 3.853 4.346 . 0 0 "[ . 1 . 2]" 1
185 1 38 GLY H 1 39 ILE H . . 4.560 4.127 3.969 4.375 . 0 0 "[ . 1 . 2]" 1
186 1 13 ILE MG 1 40 ALA H . . 4.860 3.726 3.311 4.197 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MD 1 40 ALA H . . 5.470 3.699 3.076 3.995 . 0 0 "[ . 1 . 2]" 1
188 1 39 ILE HG13 1 40 ALA H . . 3.910 3.754 3.667 3.895 . 0 0 "[ . 1 . 2]" 1
189 1 39 ILE HB 1 40 ALA H . . 3.930 2.486 2.187 2.843 . 0 0 "[ . 1 . 2]" 1
190 1 38 GLY HA3 1 40 ALA H . . 4.940 3.832 3.494 4.123 . 0 0 "[ . 1 . 2]" 1
191 1 34 LEU HB3 1 41 GLU H . . 5.500 5.417 5.217 5.498 . 0 0 "[ . 1 . 2]" 1
192 1 39 ILE H 1 41 GLU H . . 4.830 4.417 4.172 4.726 . 0 0 "[ . 1 . 2]" 1
193 1 39 ILE HA 1 42 ARG H . . 4.260 3.605 3.291 3.750 . 0 0 "[ . 1 . 2]" 1
194 1 42 ARG H 1 43 GLY HA3 . . 5.070 4.897 4.667 5.069 . 0 0 "[ . 1 . 2]" 1
195 1 42 ARG H 1 44 GLY H . . 4.780 4.278 4.119 4.410 . 0 0 "[ . 1 . 2]" 1
196 1 13 ILE MD 1 43 GLY H . . 4.700 3.225 2.991 3.365 . 0 0 "[ . 1 . 2]" 1
197 1 40 ALA HA 1 44 GLY H . . 4.100 3.921 3.688 4.069 . 0 0 "[ . 1 . 2]" 1
198 1 18 ALA HA 1 20 GLU H . . 4.510 3.535 3.403 3.911 . 0 0 "[ . 1 . 2]" 1
199 1 40 ALA HA 1 45 ILE H . . 5.070 3.876 3.580 4.092 . 0 0 "[ . 1 . 2]" 1
200 1 43 GLY H 1 45 ILE H . . 4.240 4.109 3.866 4.233 . 0 0 "[ . 1 . 2]" 1
201 1 34 LEU HG 1 47 VAL H . . 5.390 5.229 4.847 5.361 . 0 0 "[ . 1 . 2]" 1
202 1 46 ARG HB2 1 47 VAL H . . 4.510 4.450 4.341 4.517 0.007 4 0 "[ . 1 . 2]" 1
203 1 31 ILE MG 1 47 VAL H . . 4.300 3.580 3.346 3.933 . 0 0 "[ . 1 . 2]" 1
204 1 46 ARG HB3 1 47 VAL H . . 4.510 3.536 3.292 3.702 . 0 0 "[ . 1 . 2]" 1
205 1 31 ILE MG 1 48 GLY H . . 4.150 3.491 3.097 3.782 . 0 0 "[ . 1 . 2]" 1
206 1 31 ILE MG 1 49 HIS H . . 5.070 4.619 4.245 5.031 . 0 0 "[ . 1 . 2]" 1
207 1 47 VAL MG2 1 49 HIS H . . 5.190 4.471 4.250 4.889 . 0 0 "[ . 1 . 2]" 1
208 1 49 HIS H 1 82 THR MG . . 5.500 4.899 4.279 5.203 . 0 0 "[ . 1 . 2]" 1
209 1 49 HIS H 1 49 HIS HB3 . . 4.170 3.558 3.507 3.697 . 0 0 "[ . 1 . 2]" 1
210 1 47 VAL HA 1 49 HIS H . . 4.270 3.330 3.099 3.495 . 0 0 "[ . 1 . 2]" 1
211 1 49 HIS H 1 49 HIS HD2 . . 4.240 2.865 2.645 3.256 . 0 0 "[ . 1 . 2]" 1
212 1 50 ARG H 1 85 ALA MB . . 4.630 4.094 3.554 4.617 . 0 0 "[ . 1 . 2]" 1
213 1 49 HIS HB3 1 50 ARG H . . 4.440 2.948 2.267 3.246 . 0 0 "[ . 1 . 2]" 1
214 1 49 HIS HB2 1 50 ARG H . . 4.440 4.121 3.677 4.310 . 0 0 "[ . 1 . 2]" 1
215 1 50 ARG H 1 84 PRO HA . . 4.400 3.106 2.737 3.542 . 0 0 "[ . 1 . 2]" 1
216 1 50 ARG H 1 85 ALA HA . . 5.060 4.643 4.158 5.068 0.008 18 0 "[ . 1 . 2]" 1
217 1 52 ILE HG12 1 53 GLU H . . 4.270 3.186 2.972 3.357 . 0 0 "[ . 1 . 2]" 1
218 1 53 GLU H 1 81 LYS HB3 . . 4.210 2.590 1.891 2.889 . 0 0 "[ . 1 . 2]" 1
219 1 53 GLU H 1 53 GLU HB2 . . 4.170 3.138 3.020 3.216 . 0 0 "[ . 1 . 2]" 1
220 1 53 GLU H 1 81 LYS H . . 4.130 3.692 3.423 3.949 . 0 0 "[ . 1 . 2]" 1
221 1 54 ILE H 1 57 GLN HB2 . . 4.130 3.332 3.103 3.479 . 0 0 "[ . 1 . 2]" 1
222 1 54 ILE H 1 59 VAL MG1 . . 3.790 3.154 2.533 3.791 0.001 19 0 "[ . 1 . 2]" 1
223 1 54 ILE H 1 59 VAL H . . 4.370 4.106 3.786 4.347 . 0 0 "[ . 1 . 2]" 1
224 1 54 ILE HB 1 55 ASN H . . 4.650 3.070 2.814 3.360 . 0 0 "[ . 1 . 2]" 1
225 1 54 ILE MG 1 55 ASN H . . 4.570 4.022 3.887 4.179 . 0 0 "[ . 1 . 2]" 1
226 1 55 ASN H 1 57 GLN H . . 4.830 4.382 4.107 4.612 . 0 0 "[ . 1 . 2]" 1
227 1 57 GLN H 1 58 SER H . . 4.310 4.188 4.040 4.301 . 0 0 "[ . 1 . 2]" 1
228 1 53 GLU HA 1 57 GLN H . . 4.490 3.990 3.752 4.284 . 0 0 "[ . 1 . 2]" 1
229 1 53 GLU HG2 1 57 GLN H . . 4.020 2.240 1.968 2.866 . 0 0 "[ . 1 . 2]" 1
230 1 57 GLN HB3 1 58 SER H . . 4.530 3.395 3.144 3.514 . 0 0 "[ . 1 . 2]" 1
231 1 53 GLU HG3 1 59 VAL H . . 5.240 3.839 3.555 4.341 . 0 0 "[ . 1 . 2]" 1
232 1 59 VAL H 1 60 VAL HB . . 4.730 4.358 4.221 4.510 . 0 0 "[ . 1 . 2]" 1
233 1 60 VAL HB 1 61 ALA H . . 4.640 4.157 3.974 4.262 . 0 0 "[ . 1 . 2]" 1
234 1 60 VAL H 1 61 ALA H . . 4.660 2.778 2.558 2.952 . 0 0 "[ . 1 . 2]" 1
235 1 59 VAL HA 1 62 THR H . . 4.350 2.729 2.489 3.174 . 0 0 "[ . 1 . 2]" 1
236 1 59 VAL HB 1 62 THR H . . 4.570 4.111 3.686 4.474 . 0 0 "[ . 1 . 2]" 1
237 1 60 VAL MG1 1 62 THR H . . 4.590 3.907 3.532 4.242 . 0 0 "[ . 1 . 2]" 1
238 1 17 HIS HB2 1 18 ALA H . . 4.750 4.201 4.069 4.315 . 0 0 "[ . 1 . 2]" 1
239 1 18 ALA H 1 19 ARG H . . 4.680 2.371 2.237 2.684 . 0 0 "[ . 1 . 2]" 1
240 1 17 HIS HD2 1 18 ALA H . . 5.040 4.300 3.986 5.051 0.011 14 0 "[ . 1 . 2]" 1
241 1 65 ALA HA 1 67 ILE H . . 4.950 4.785 4.449 4.931 . 0 0 "[ . 1 . 2]" 1
242 1 67 ILE H 1 67 ILE MG . . 4.030 3.767 3.737 3.783 . 0 0 "[ . 1 . 2]" 1
243 1 67 ILE H 1 68 ILE HA . . 5.500 5.453 5.257 5.501 0.001 16 0 "[ . 1 . 2]" 1
244 1 67 ILE H 1 68 ILE H . . 3.740 2.889 2.651 2.944 . 0 0 "[ . 1 . 2]" 1
245 1 68 ILE H 1 68 ILE MG . . 4.350 3.767 3.761 3.785 . 0 0 "[ . 1 . 2]" 1
246 1 66 ARG HA 1 69 GLU H . . 3.950 3.271 3.153 3.454 . 0 0 "[ . 1 . 2]" 1
247 1 70 LEU H 1 70 LEU MD1 . . 3.990 3.707 3.510 3.895 . 0 0 "[ . 1 . 2]" 1
248 1 70 LEU H 1 70 LEU MD2 . . 3.890 3.732 3.428 3.882 . 0 0 "[ . 1 . 2]" 1
249 1 70 LEU H 1 70 LEU HB3 . . 3.840 3.539 3.491 3.584 . 0 0 "[ . 1 . 2]" 1
250 1 69 GLU HB2 1 70 LEU H . . 3.720 2.818 2.499 3.048 . 0 0 "[ . 1 . 2]" 1
251 1 71 LEU H 1 71 LEU HB3 . . 3.870 3.556 3.530 3.583 . 0 0 "[ . 1 . 2]" 1
252 1 71 LEU H 1 71 LEU MD2 . . 4.250 3.806 3.614 3.942 . 0 0 "[ . 1 . 2]" 1
253 1 68 ILE HA 1 71 LEU H . . 4.190 3.998 3.621 4.191 0.001 8 0 "[ . 1 . 2]" 1
254 1 69 GLU H 1 71 LEU H . . 4.880 4.742 4.513 4.879 . 0 0 "[ . 1 . 2]" 1
255 1 68 ILE MG 1 72 THR H . . 4.200 3.994 3.721 4.179 . 0 0 "[ . 1 . 2]" 1
256 1 71 LEU HB3 1 72 THR H . . 4.020 3.150 2.714 3.455 . 0 0 "[ . 1 . 2]" 1
257 1 69 GLU HA 1 73 GLU H . . 4.500 4.009 3.834 4.233 . 0 0 "[ . 1 . 2]" 1
258 1 72 THR HB 1 73 GLU H . . 3.740 2.546 2.398 2.755 . 0 0 "[ . 1 . 2]" 1
259 1 71 LEU MD2 1 74 ALA H . . 5.270 5.040 4.802 5.191 . 0 0 "[ . 1 . 2]" 1
260 1 73 GLU HB2 1 74 ALA H . . 4.110 3.071 2.793 3.397 . 0 0 "[ . 1 . 2]" 1
261 1 73 GLU HB3 1 74 ALA H . . 4.110 3.697 3.512 3.930 . 0 0 "[ . 1 . 2]" 1
262 1 72 THR H 1 74 ALA H . . 4.300 3.993 3.835 4.174 . 0 0 "[ . 1 . 2]" 1
263 1 75 TYR H 1 76 GLY H . . 4.580 4.511 4.483 4.534 . 0 0 "[ . 1 . 2]" 1
264 1 76 GLY H 1 78 VAL MG2 . . 4.820 4.064 3.677 4.443 . 0 0 "[ . 1 . 2]" 1
265 1 15 ARG HB3 1 76 GLY H . . 4.530 3.643 2.931 4.368 . 0 0 "[ . 1 . 2]" 1
266 1 15 ARG HB2 1 76 GLY H . . 4.340 2.832 2.028 3.552 . 0 0 "[ . 1 . 2]" 1
267 1 75 TYR QD 1 76 GLY H . . 4.400 4.215 3.712 4.395 . 0 0 "[ . 1 . 2]" 1
268 1 76 GLY H 1 77 GLU H . . 4.620 4.468 4.353 4.548 . 0 0 "[ . 1 . 2]" 1
269 1 13 ILE H 1 78 VAL H . . 4.060 2.938 2.558 3.364 . 0 0 "[ . 1 . 2]" 1
270 1 15 ARG H 1 78 VAL H . . 5.130 4.271 3.724 4.815 . 0 0 "[ . 1 . 2]" 1
271 1 79 HIS H 1 79 HIS HB2 . . 3.980 2.366 2.214 2.556 . 0 0 "[ . 1 . 2]" 1
272 1 55 ASN HA 1 79 HIS H . . 4.180 2.981 2.560 3.446 . 0 0 "[ . 1 . 2]" 1
273 1 79 HIS H 1 79 HIS HD2 . . 4.110 2.562 1.965 3.063 . 0 0 "[ . 1 . 2]" 1
274 1 55 ASN H 1 79 HIS H . . 4.520 3.599 3.212 3.994 . 0 0 "[ . 1 . 2]" 1
275 1 78 VAL H 1 79 HIS H . . 4.930 4.147 3.963 4.417 . 0 0 "[ . 1 . 2]" 1
276 1 79 HIS H 1 80 ILE H . . 5.400 4.373 4.229 4.601 . 0 0 "[ . 1 . 2]" 1
277 1 12 ILE HA 1 80 ILE H . . 4.350 3.140 2.827 3.605 . 0 0 "[ . 1 . 2]" 1
278 1 79 HIS HB3 1 80 ILE H . . 4.570 3.579 2.945 3.865 . 0 0 "[ . 1 . 2]" 1
279 1 79 HIS HB2 1 80 ILE H . . 4.570 4.388 3.983 4.566 . 0 0 "[ . 1 . 2]" 1
280 1 11 ALA MB 1 80 ILE H . . 4.140 3.929 3.813 4.127 . 0 0 "[ . 1 . 2]" 1
281 1 78 VAL MG1 1 80 ILE H . . 4.600 4.064 3.551 4.597 . 0 0 "[ . 1 . 2]" 1
282 1 53 GLU HB2 1 81 LYS H . . 5.230 5.037 4.661 5.243 0.013 18 0 "[ . 1 . 2]" 1
283 1 53 GLU HB3 1 81 LYS H . . 4.240 3.589 3.221 3.859 . 0 0 "[ . 1 . 2]" 1
284 1 54 ILE MG 1 81 LYS H . . 4.390 3.437 2.901 3.689 . 0 0 "[ . 1 . 2]" 1
285 1 9 THR H 1 82 THR H . . 4.850 4.635 4.180 4.834 . 0 0 "[ . 1 . 2]" 1
286 1 81 LYS H 1 82 THR H . . 4.750 4.296 4.226 4.375 . 0 0 "[ . 1 . 2]" 1
287 1 81 LYS HB3 1 82 THR H . . 4.330 4.239 4.104 4.314 . 0 0 "[ . 1 . 2]" 1
288 1 49 HIS HB3 1 83 MET H . . 4.720 2.751 2.445 2.990 . 0 0 "[ . 1 . 2]" 1
289 1 49 HIS HB2 1 83 MET H . . 4.720 4.422 4.011 4.623 . 0 0 "[ . 1 . 2]" 1
290 1 52 ILE H 1 83 MET H . . 4.590 4.404 3.826 4.584 . 0 0 "[ . 1 . 2]" 1
291 1 50 ARG H 1 83 MET H . . 4.060 3.145 2.495 3.564 . 0 0 "[ . 1 . 2]" 1
292 1 85 ALA H 1 86 ALA HA . . 5.500 5.470 5.325 5.507 0.007 15 0 "[ . 1 . 2]" 1
293 1 84 PRO HB3 1 85 ALA H . . 4.260 4.142 3.931 4.247 . 0 0 "[ . 1 . 2]" 1
294 1 50 ARG H 1 85 ALA H . . 4.350 3.109 2.524 3.645 . 0 0 "[ . 1 . 2]" 1
295 1 85 ALA H 1 86 ALA H . . 4.600 2.929 2.747 2.972 . 0 0 "[ . 1 . 2]" 1
296 1 84 PRO HB3 1 87 THR H . . 4.600 4.395 4.272 4.505 . 0 0 "[ . 1 . 2]" 1
297 1 84 PRO HB2 1 87 THR H . . 3.990 2.689 2.541 2.806 . 0 0 "[ . 1 . 2]" 1
298 1 86 ALA H 1 87 THR H . . 4.420 3.096 3.008 3.153 . 0 0 "[ . 1 . 2]" 1
299 1 88 TYR H 1 88 TYR QD . . 4.270 3.929 3.754 4.112 . 0 0 "[ . 1 . 2]" 1
300 1 88 TYR QD 1 89 ARG H . . 4.380 3.836 3.551 4.078 . 0 0 "[ . 1 . 2]" 1
301 1 89 ARG H 1 91 LEU H . . 4.590 4.101 3.959 4.218 . 0 0 "[ . 1 . 2]" 1
302 1 88 TYR HB2 1 89 ARG H . . 4.240 3.392 3.276 3.510 . 0 0 "[ . 1 . 2]" 1
303 1 88 TYR HB3 1 89 ARG H . . 4.240 2.122 1.965 2.309 . 0 0 "[ . 1 . 2]" 1
304 1 87 THR HA 1 90 LEU H . . 4.210 3.599 3.401 3.759 . 0 0 "[ . 1 . 2]" 1
305 1 91 LEU H 1 91 LEU MD1 . . 4.190 3.314 3.171 3.530 . 0 0 "[ . 1 . 2]" 1
306 1 91 LEU H 1 92 THR H . . 3.460 2.591 2.413 2.753 . 0 0 "[ . 1 . 2]" 1
307 1 91 LEU HB2 1 92 THR H . . 3.750 2.500 2.225 2.845 . 0 0 "[ . 1 . 2]" 1
308 1 92 THR H 1 93 GLY HA2 . . 5.500 4.907 4.594 5.200 . 0 0 "[ . 1 . 2]" 1
309 1 92 THR H 1 93 GLY HA3 . . 5.500 4.779 4.598 4.977 . 0 0 "[ . 1 . 2]" 1
310 1 92 THR MG 1 93 GLY H . . 4.500 3.906 2.922 4.307 . 0 0 "[ . 1 . 2]" 1
311 1 19 ARG H 1 20 GLU H . . 3.000 2.960 2.921 3.003 0.003 14 0 "[ . 1 . 2]" 1
312 1 63 PRO HG2 1 66 ARG H . . 3.660 2.593 2.464 2.713 . 0 0 "[ . 1 . 2]" 1
313 1 66 ARG H 1 68 ILE H . . 4.430 4.239 3.972 4.415 . 0 0 "[ . 1 . 2]" 1
314 1 63 PRO HB2 1 65 ALA H . . 4.020 3.038 2.929 3.210 . 0 0 "[ . 1 . 2]" 1
315 1 63 PRO HA 1 65 ALA H . . 4.590 4.393 4.190 4.596 0.006 19 0 "[ . 1 . 2]" 1
316 1 64 HIS HD2 1 65 ALA H . . 4.260 3.171 2.724 3.595 . 0 0 "[ . 1 . 2]" 1
317 1 14 HIS HB3 1 15 ARG H . . 4.160 3.848 3.777 3.902 . 0 0 "[ . 1 . 2]" 1
318 1 14 HIS HA 1 15 ARG H . . 3.130 2.179 2.161 2.188 . 0 0 "[ . 1 . 2]" 1
319 1 15 ARG H 1 76 GLY H . . 4.300 3.543 2.851 3.959 . 0 0 "[ . 1 . 2]" 1
320 1 14 HIS H 1 39 ILE MD . . 4.590 4.012 3.597 4.477 . 0 0 "[ . 1 . 2]" 1
321 1 13 ILE HG12 1 14 HIS H . . 5.500 4.961 4.751 5.133 . 0 0 "[ . 1 . 2]" 1
322 1 14 HIS H 1 39 ILE HB . . 4.810 4.191 3.787 4.705 . 0 0 "[ . 1 . 2]" 1
323 1 14 HIS H 1 15 ARG H . . 4.630 4.130 3.978 4.289 . 0 0 "[ . 1 . 2]" 1
324 1 13 ILE H 1 13 ILE HG13 . . 4.150 3.874 3.679 4.130 . 0 0 "[ . 1 . 2]" 1
325 1 13 ILE H 1 79 HIS HA . . 4.550 3.929 3.538 4.209 . 0 0 "[ . 1 . 2]" 1
326 1 11 ALA H 1 81 LYS HA . . 4.250 3.403 3.176 3.617 . 0 0 "[ . 1 . 2]" 1
327 1 10 THR H 1 81 LYS HG3 . . 5.290 5.161 4.879 5.300 0.010 18 0 "[ . 1 . 2]" 1
328 1 9 THR HB 1 10 THR H . . 4.420 4.219 3.948 4.388 . 0 0 "[ . 1 . 2]" 1
329 1 7 GLY H 1 8 VAL H . . 4.040 3.019 1.984 3.992 . 0 0 "[ . 1 . 2]" 1
330 1 31 ILE HG13 1 51 ILE MD . . 3.540 3.048 2.657 3.479 . 0 0 "[ . 1 . 2]" 1
331 1 31 ILE MD 1 51 ILE MD . . 3.630 2.096 1.857 2.538 . 0 0 "[ . 1 . 2]" 1
332 1 34 LEU HB3 1 34 LEU MD1 . . 3.540 2.463 2.210 2.568 . 0 0 "[ . 1 . 2]" 1
333 1 52 ILE MD 1 81 LYS HG2 . . 3.350 2.509 2.217 2.980 . 0 0 "[ . 1 . 2]" 1
334 1 13 ILE MD 1 45 ILE MD . . 3.530 2.376 1.956 3.050 . 0 0 "[ . 1 . 2]" 1
335 1 52 ILE MD 1 83 MET HB2 . . 3.280 2.288 1.962 2.567 . 0 0 "[ . 1 . 2]" 1
336 1 24 PHE QE 1 80 ILE MD . . 3.710 3.204 2.798 3.656 . 0 0 "[ . 1 . 2]" 1
337 1 24 PHE HZ 1 80 ILE MD . . 3.980 2.751 1.969 3.362 . 0 0 "[ . 1 . 2]" 1
338 1 45 ILE MD 1 80 ILE MD . . 3.370 2.175 1.945 2.438 . 0 0 "[ . 1 . 2]" 1
339 1 24 PHE QD 1 31 ILE MD . . 4.030 3.481 3.112 3.716 . 0 0 "[ . 1 . 2]" 1
340 1 31 ILE HB 1 31 ILE MD . . 3.450 2.220 2.108 2.330 . 0 0 "[ . 1 . 2]" 1
341 1 39 ILE HB 1 39 ILE MD . . 3.250 2.404 2.339 2.497 . 0 0 "[ . 1 . 2]" 1
342 1 39 ILE MD 1 39 ILE MG . . 3.090 2.037 1.942 2.178 . 0 0 "[ . 1 . 2]" 1
343 1 12 ILE MD 1 79 HIS HE1 . . 3.740 3.087 2.396 3.632 . 0 0 "[ . 1 . 2]" 1
344 1 12 ILE HB 1 12 ILE MD . . 3.350 2.795 2.202 3.230 . 0 0 "[ . 1 . 2]" 1
345 1 12 ILE MD 1 12 ILE MG . . 2.900 2.088 1.875 2.440 . 0 0 "[ . 1 . 2]" 1
346 1 64 HIS HA 1 67 ILE MD . . 3.660 2.022 1.854 2.234 . 0 0 "[ . 1 . 2]" 1
347 1 29 GLY HA2 1 67 ILE MD . . 3.840 2.725 2.464 3.112 . 0 0 "[ . 1 . 2]" 1
348 1 59 VAL HB 1 67 ILE MD . . 3.600 2.598 2.175 2.950 . 0 0 "[ . 1 . 2]" 1
349 1 67 ILE HB 1 67 ILE MD . . 3.290 2.293 2.202 2.456 . 0 0 "[ . 1 . 2]" 1
350 1 59 VAL MG2 1 67 ILE MD . . 3.450 3.069 2.637 3.426 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLY HA3 1 67 ILE MD . . 3.780 2.925 2.727 3.347 . 0 0 "[ . 1 . 2]" 1
352 1 30 ILE HA 1 30 ILE MD . . 3.970 3.821 3.660 3.926 . 0 0 "[ . 1 . 2]" 1
353 1 30 ILE HB 1 30 ILE MD . . 3.330 2.392 2.281 2.632 . 0 0 "[ . 1 . 2]" 1
354 1 30 ILE MD 1 85 ALA MB . . 3.340 3.118 2.887 3.341 0.001 5 0 "[ . 1 . 2]" 1
355 1 30 ILE MD 1 30 ILE MG . . 2.980 2.052 1.862 2.322 . 0 0 "[ . 1 . 2]" 1
356 1 42 ARG HB2 1 42 ARG HD2 . . 4.220 2.986 2.270 3.749 . 0 0 "[ . 1 . 2]" 1
357 1 42 ARG HB3 1 42 ARG HD2 . . 4.220 3.386 2.427 3.839 . 0 0 "[ . 1 . 2]" 1
358 1 89 ARG HB3 1 89 ARG HD2 . . 3.540 2.673 2.119 3.549 0.009 14 0 "[ . 1 . 2]" 1
359 1 89 ARG HB3 1 89 ARG HD3 . . 3.540 2.919 2.116 3.576 0.036 5 0 "[ . 1 . 2]" 1
360 1 46 ARG HA 1 46 ARG HD3 . . 4.030 3.152 2.400 3.803 . 0 0 "[ . 1 . 2]" 1
361 1 70 LEU HB2 1 70 LEU MD2 . . 3.590 3.182 3.175 3.194 . 0 0 "[ . 1 . 2]" 1
362 1 70 LEU HB3 1 70 LEU MD1 . . 3.440 2.410 2.237 2.560 . 0 0 "[ . 1 . 2]" 1
363 1 66 ARG HA 1 66 ARG HD3 . . 3.570 2.415 2.050 2.728 . 0 0 "[ . 1 . 2]" 1
364 1 66 ARG HA 1 66 ARG HD2 . . 3.570 2.722 2.470 3.244 . 0 0 "[ . 1 . 2]" 1
365 1 35 LEU HB2 1 35 LEU MD1 . . 3.650 2.162 2.039 2.253 . 0 0 "[ . 1 . 2]" 1
366 1 71 LEU HB3 1 71 LEU MD1 . . 3.540 2.488 2.389 2.574 . 0 0 "[ . 1 . 2]" 1
367 1 81 LYS HB2 1 81 LYS HE2 . . 4.650 3.701 2.267 4.576 . 0 0 "[ . 1 . 2]" 1
368 1 81 LYS HB2 1 81 LYS HE3 . . 4.650 2.987 2.022 4.229 . 0 0 "[ . 1 . 2]" 1
369 1 8 VAL MG1 1 81 LYS HE2 . . 4.820 3.089 1.976 4.022 . 0 0 "[ . 1 . 2]" 1
370 1 8 VAL MG1 1 81 LYS HE3 . . 4.820 3.712 2.578 4.371 . 0 0 "[ . 1 . 2]" 1
371 1 64 HIS HE1 1 68 ILE MD . . 3.640 2.781 2.105 3.367 . 0 0 "[ . 1 . 2]" 1
372 1 68 ILE HA 1 68 ILE MD . . 3.120 2.074 1.958 2.341 . 0 0 "[ . 1 . 2]" 1
373 1 68 ILE HB 1 68 ILE MD . . 3.570 3.214 3.189 3.223 . 0 0 "[ . 1 . 2]" 1
374 1 26 VAL HB 1 68 ILE MD . . 3.480 3.095 2.694 3.433 . 0 0 "[ . 1 . 2]" 1
375 1 68 ILE MD 1 68 ILE MG . . 2.740 1.956 1.900 2.092 . 0 0 "[ . 1 . 2]" 1
376 1 45 ILE HA 1 45 ILE MD . . 3.320 2.085 1.950 2.300 . 0 0 "[ . 1 . 2]" 1
377 1 13 ILE HG12 1 45 ILE MD . . 3.650 3.152 2.786 3.508 . 0 0 "[ . 1 . 2]" 1
378 1 45 ILE MD 1 80 ILE MG . . 3.310 2.581 2.325 2.991 . 0 0 "[ . 1 . 2]" 1
379 1 31 ILE MD 1 45 ILE MD . . 3.540 2.870 2.279 3.301 . 0 0 "[ . 1 . 2]" 1
380 1 13 ILE HB 1 78 VAL HB . . 3.550 2.116 2.000 2.451 . 0 0 "[ . 1 . 2]" 1
381 1 9 THR H 1 9 THR HB . . 3.490 2.556 2.507 2.615 . 0 0 "[ . 1 . 2]" 1
382 1 59 VAL HB 1 62 THR HB . . 3.390 2.552 2.133 2.913 . 0 0 "[ . 1 . 2]" 1
383 1 51 ILE H 1 51 ILE HB . . 3.690 2.601 2.426 2.783 . 0 0 "[ . 1 . 2]" 1
384 1 39 ILE H 1 39 ILE HB . . 3.730 2.733 2.633 2.778 . 0 0 "[ . 1 . 2]" 1
385 1 10 THR H 1 10 THR HB . . 3.450 2.642 2.492 2.739 . 0 0 "[ . 1 . 2]" 1
386 1 67 ILE H 1 67 ILE HB . . 3.500 2.576 2.407 2.678 . 0 0 "[ . 1 . 2]" 1
387 1 72 THR H 1 72 THR HB . . 3.360 2.550 2.516 2.644 . 0 0 "[ . 1 . 2]" 1
388 1 69 GLU HA 1 72 THR HB . . 3.430 2.972 2.787 3.091 . 0 0 "[ . 1 . 2]" 1
389 1 31 ILE H 1 31 ILE HB . . 3.710 2.605 2.465 2.644 . 0 0 "[ . 1 . 2]" 1
390 1 41 GLU HA 1 41 GLU HG2 . . 3.890 2.933 2.251 3.657 . 0 0 "[ . 1 . 2]" 1
391 1 68 ILE H 1 68 ILE HB . . 3.430 2.569 2.494 2.624 . 0 0 "[ . 1 . 2]" 1
392 1 67 ILE HA 1 70 LEU HB2 . . 4.430 2.802 2.644 3.061 . 0 0 "[ . 1 . 2]" 1
393 1 67 ILE HA 1 67 ILE HG12 . . 3.630 2.589 2.500 2.782 . 0 0 "[ . 1 . 2]" 1
394 1 67 ILE HA 1 67 ILE MD . . 3.940 3.838 3.805 3.868 . 0 0 "[ . 1 . 2]" 1
395 1 67 ILE HA 1 67 ILE MG . . 3.180 2.435 2.314 2.530 . 0 0 "[ . 1 . 2]" 1
396 1 67 ILE HA 1 67 ILE HG13 . . 3.630 2.836 2.598 3.025 . 0 0 "[ . 1 . 2]" 1
397 1 87 THR HA 1 90 LEU HG . . 4.900 4.292 3.847 4.748 . 0 0 "[ . 1 . 2]" 1
398 1 60 VAL H 1 60 VAL HB . . 3.580 2.662 2.445 2.751 . 0 0 "[ . 1 . 2]" 1
399 1 47 VAL H 1 47 VAL HB . . 3.690 3.610 3.598 3.620 . 0 0 "[ . 1 . 2]" 1
400 1 47 VAL HA 1 48 GLY H . . 3.230 2.347 2.208 2.481 . 0 0 "[ . 1 . 2]" 1
401 1 47 VAL HA 1 47 VAL MG1 . . 3.320 2.384 2.248 2.516 . 0 0 "[ . 1 . 2]" 1
402 1 51 ILE HA 1 82 THR MG . . 3.650 3.495 3.201 3.639 . 0 0 "[ . 1 . 2]" 1
403 1 51 ILE HA 1 51 ILE MD . . 3.860 2.107 1.932 2.315 . 0 0 "[ . 1 . 2]" 1
404 1 63 PRO HA 1 64 HIS H . . 3.170 2.199 2.163 2.305 . 0 0 "[ . 1 . 2]" 1
405 1 68 ILE HA 1 71 LEU HB2 . . 3.830 3.028 2.844 3.162 . 0 0 "[ . 1 . 2]" 1
406 1 68 ILE HA 1 68 ILE MG . . 3.120 2.362 2.248 2.427 . 0 0 "[ . 1 . 2]" 1
407 1 8 VAL HA 1 9 THR H . . 3.190 2.181 2.139 2.239 . 0 0 "[ . 1 . 2]" 1
408 1 31 ILE HA 1 32 CYS H . . 3.240 2.202 2.159 2.227 . 0 0 "[ . 1 . 2]" 1
409 1 26 VAL HA 1 31 ILE HA . . 3.620 2.017 1.996 2.050 . 0 0 "[ . 1 . 2]" 1
410 1 31 ILE HA 1 31 ILE MG . . 3.270 2.349 2.214 2.478 . 0 0 "[ . 1 . 2]" 1
411 1 59 VAL MG1 1 67 ILE HG13 . . 4.060 3.691 3.024 3.964 . 0 0 "[ . 1 . 2]" 1
412 1 92 THR HA 1 92 THR MG . . 3.260 2.641 2.162 3.208 . 0 0 "[ . 1 . 2]" 1
413 1 52 ILE HA 1 59 VAL MG2 . . 3.530 2.834 2.221 3.206 . 0 0 "[ . 1 . 2]" 1
414 1 88 TYR HA 1 88 TYR QD . . 3.550 2.193 1.997 2.716 . 0 0 "[ . 1 . 2]" 1
415 1 88 TYR HA 1 91 LEU HB2 . . 3.740 2.733 2.399 3.021 . 0 0 "[ . 1 . 2]" 1
416 1 62 THR HA 1 62 THR MG . . 3.420 2.472 2.434 2.487 . 0 0 "[ . 1 . 2]" 1
417 1 64 HIS HA 1 67 ILE HB . . 3.710 2.351 2.085 2.659 . 0 0 "[ . 1 . 2]" 1
418 1 54 ILE HA 1 54 ILE HG13 . . 3.670 3.592 3.586 3.603 . 0 0 "[ . 1 . 2]" 1
419 1 69 GLU HA 1 69 GLU HG3 . . 3.890 3.162 2.166 3.672 . 0 0 "[ . 1 . 2]" 1
420 1 54 ILE HG12 1 59 VAL MG1 . . 3.230 2.230 1.923 2.731 . 0 0 "[ . 1 . 2]" 1
421 1 26 VAL MG2 1 31 ILE HG12 . . 3.760 2.173 1.957 2.529 . 0 0 "[ . 1 . 2]" 1
422 1 34 LEU MD2 1 41 GLU HA . . 3.780 2.935 2.476 3.269 . 0 0 "[ . 1 . 2]" 1
423 1 68 ILE HG13 1 68 ILE MG . . 3.370 2.431 2.302 2.530 . 0 0 "[ . 1 . 2]" 1
424 1 45 ILE HA 1 46 ARG H . . 3.400 2.187 2.156 2.227 . 0 0 "[ . 1 . 2]" 1
425 1 53 GLU HA 1 58 SER HA . . 3.580 2.660 2.461 2.888 . 0 0 "[ . 1 . 2]" 1
426 1 42 ARG HA 1 42 ARG HG2 . . 3.760 2.537 2.249 3.654 . 0 0 "[ . 1 . 2]" 1
427 1 42 ARG HA 1 42 ARG HG3 . . 3.760 2.873 2.424 3.351 . 0 0 "[ . 1 . 2]" 1
428 1 89 ARG HA 1 89 ARG HG3 . . 3.850 3.517 3.142 3.786 . 0 0 "[ . 1 . 2]" 1
429 1 90 LEU HA 1 90 LEU HG . . 3.840 2.720 2.518 2.892 . 0 0 "[ . 1 . 2]" 1
430 1 36 ARG HA 1 36 ARG HG2 . . 3.830 3.070 2.305 3.772 . 0 0 "[ . 1 . 2]" 1
431 1 91 LEU HA 1 91 LEU HG . . 4.000 2.920 2.808 3.033 . 0 0 "[ . 1 . 2]" 1
432 1 71 LEU H 1 71 LEU MD1 . . 3.610 3.557 3.435 3.606 . 0 0 "[ . 1 . 2]" 1
433 1 71 LEU HB2 1 71 LEU MD1 . . 2.830 2.212 2.081 2.326 . 0 0 "[ . 1 . 2]" 1
434 1 33 SER HA 1 47 VAL MG1 . . 3.300 2.337 2.042 2.607 . 0 0 "[ . 1 . 2]" 1
435 1 70 LEU HA 1 70 LEU HG . . 3.810 2.885 2.763 3.052 . 0 0 "[ . 1 . 2]" 1
436 1 36 ARG HA 1 37 GLY H . . 3.000 2.172 2.144 2.274 . 0 0 "[ . 1 . 2]" 1
437 1 71 LEU HA 1 71 LEU HG . . 4.030 2.717 2.604 2.834 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU HA 1 22 LEU MD1 . . 3.760 3.795 3.765 3.819 0.059 18 0 "[ . 1 . 2]" 1
439 1 22 LEU HB2 1 22 LEU MD1 . . 3.300 2.241 2.017 2.448 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU HB3 1 22 LEU MD1 . . 3.450 2.427 2.173 2.681 . 0 0 "[ . 1 . 2]" 1
441 1 35 LEU MD2 1 38 GLY HA2 . . 3.590 2.976 2.628 3.399 . 0 0 "[ . 1 . 2]" 1
442 1 34 LEU MD2 1 45 ILE MG . . 4.040 3.960 3.678 4.035 . 0 0 "[ . 1 . 2]" 1
443 1 90 LEU HA 1 90 LEU MD1 . . 3.870 3.834 3.798 3.874 0.004 1 0 "[ . 1 . 2]" 1
444 1 87 THR HA 1 90 LEU MD1 . . 3.660 2.701 2.296 3.100 . 0 0 "[ . 1 . 2]" 1
445 1 83 MET ME 1 91 LEU MD1 . . 3.890 1.928 1.735 2.117 . 0 0 "[ . 1 . 2]" 1
446 1 72 THR MG 1 73 GLU HA . . 4.430 3.474 3.367 3.569 . 0 0 "[ . 1 . 2]" 1
447 1 19 ARG HA 1 19 ARG HG2 . . 4.070 2.561 2.211 3.013 . 0 0 "[ . 1 . 2]" 1
448 1 19 ARG HA 1 19 ARG HG3 . . 4.070 3.201 2.530 3.941 . 0 0 "[ . 1 . 2]" 1
449 1 20 GLU HA 1 21 GLN H . . 3.160 2.186 2.148 2.252 . 0 0 "[ . 1 . 2]" 1
450 1 21 GLN HA 1 22 LEU H . . 3.010 2.559 2.442 2.654 . 0 0 "[ . 1 . 2]" 1
451 1 35 LEU MD1 1 36 ARG H . . 3.760 3.264 2.467 3.651 . 0 0 "[ . 1 . 2]" 1
452 1 35 LEU HA 1 35 LEU MD1 . . 3.130 2.423 2.158 2.612 . 0 0 "[ . 1 . 2]" 1
453 1 35 LEU HB3 1 35 LEU MD1 . . 3.650 3.144 3.112 3.182 . 0 0 "[ . 1 . 2]" 1
454 1 85 ALA HA 1 88 TYR HB2 . . 4.040 3.522 3.269 3.714 . 0 0 "[ . 1 . 2]" 1
455 1 27 GLU HA 1 28 ASP H . . 3.490 2.145 2.138 2.172 . 0 0 "[ . 1 . 2]" 1
456 1 90 LEU HB2 1 90 LEU MD2 . . 3.510 3.169 3.129 3.193 . 0 0 "[ . 1 . 2]" 1
457 1 90 LEU HA 1 90 LEU MD2 . . 3.050 2.215 1.991 2.551 . 0 0 "[ . 1 . 2]" 1
458 1 90 LEU HB3 1 90 LEU MD2 . . 3.510 2.227 2.045 2.351 . 0 0 "[ . 1 . 2]" 1
459 1 24 PHE HZ 1 71 LEU MD2 . . 3.320 2.895 2.304 3.290 . 0 0 "[ . 1 . 2]" 1
460 1 71 LEU HA 1 71 LEU MD2 . . 2.950 2.161 1.995 2.313 . 0 0 "[ . 1 . 2]" 1
461 1 71 LEU HB3 1 71 LEU MD2 . . 3.240 2.255 2.147 2.345 . 0 0 "[ . 1 . 2]" 1
462 1 71 LEU MD2 1 80 ILE MD . . 2.890 2.051 1.869 2.285 . 0 0 "[ . 1 . 2]" 1
463 1 65 ALA HA 1 68 ILE HB . . 3.790 3.567 3.312 3.789 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU MD2 1 24 PHE QE . . 3.710 2.057 1.840 2.580 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU HA 1 22 LEU MD2 . . 3.010 2.209 1.918 2.551 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU HB3 1 22 LEU MD2 . . 3.240 2.250 2.041 2.433 . 0 0 "[ . 1 . 2]" 1
467 1 12 ILE HA 1 79 HIS HA . . 3.760 2.727 2.396 2.996 . 0 0 "[ . 1 . 2]" 1
468 1 86 ALA HA 1 89 ARG HB2 . . 3.640 3.142 2.924 3.403 . 0 0 "[ . 1 . 2]" 1
469 1 13 ILE MD 1 40 ALA HA . . 3.390 1.851 1.787 1.934 . 0 0 "[ . 1 . 2]" 1
470 1 47 VAL H 1 47 VAL MG1 . . 3.210 2.089 1.881 2.313 . 0 0 "[ . 1 . 2]" 1
471 1 34 LEU HB2 1 47 VAL MG1 . . 3.460 2.045 1.870 2.271 . 0 0 "[ . 1 . 2]" 1
472 1 87 THR HA 1 87 THR MG . . 3.120 2.323 2.200 2.453 . 0 0 "[ . 1 . 2]" 1
473 1 87 THR MG 1 91 LEU HG . . 3.830 2.361 2.140 2.666 . 0 0 "[ . 1 . 2]" 1
474 1 70 LEU HA 1 70 LEU MD2 . . 2.830 2.007 1.940 2.111 . 0 0 "[ . 1 . 2]" 1
475 1 70 LEU HB3 1 70 LEU MD2 . . 3.590 2.334 2.278 2.378 . 0 0 "[ . 1 . 2]" 1
476 1 26 VAL HA 1 26 VAL MG2 . . 3.510 2.285 2.222 2.414 . 0 0 "[ . 1 . 2]" 1
477 1 26 VAL MG2 1 68 ILE MD . . 4.420 3.891 3.440 4.230 . 0 0 "[ . 1 . 2]" 1
478 1 62 THR MG 1 63 PRO HD3 . . 3.620 3.158 3.145 3.193 . 0 0 "[ . 1 . 2]" 1
479 1 59 VAL MG1 1 62 THR MG . . 3.260 2.885 2.256 3.175 . 0 0 "[ . 1 . 2]" 1
480 1 11 ALA MB 1 80 ILE HB . . 3.280 3.076 2.596 3.280 . 0 0 "[ . 1 . 2]" 1
481 1 8 VAL MG1 1 9 THR H . . 3.460 2.378 1.886 2.674 . 0 0 "[ . 1 . 2]" 1
482 1 26 VAL MG1 1 27 GLU H . . 3.590 2.266 2.002 2.546 . 0 0 "[ . 1 . 2]" 1
483 1 26 VAL MG1 1 29 GLY H . . 3.740 2.285 2.122 2.428 . 0 0 "[ . 1 . 2]" 1
484 1 26 VAL HA 1 26 VAL MG1 . . 3.610 2.390 2.307 2.492 . 0 0 "[ . 1 . 2]" 1
485 1 72 THR H 1 72 THR MG . . 3.820 3.767 3.764 3.773 . 0 0 "[ . 1 . 2]" 1
486 1 72 THR HA 1 72 THR MG . . 3.020 2.459 2.444 2.474 . 0 0 "[ . 1 . 2]" 1
487 1 60 VAL H 1 60 VAL MG1 . . 3.330 1.991 1.865 2.306 . 0 0 "[ . 1 . 2]" 1
488 1 60 VAL HA 1 60 VAL MG1 . . 3.490 3.173 3.154 3.191 . 0 0 "[ . 1 . 2]" 1
489 1 52 ILE HB 1 60 VAL MG1 . . 4.030 3.837 3.546 4.033 0.003 15 0 "[ . 1 . 2]" 1
490 1 52 ILE MG 1 60 VAL MG1 . . 4.300 4.156 3.725 4.299 . 0 0 "[ . 1 . 2]" 1
491 1 11 ALA H 1 11 ALA MB . . 3.400 2.562 2.444 2.696 . 0 0 "[ . 1 . 2]" 1
492 1 11 ALA MB 1 12 ILE H . . 3.540 2.808 2.578 3.151 . 0 0 "[ . 1 . 2]" 1
493 1 11 ALA MB 1 45 ILE MD . . 3.080 2.188 1.901 2.551 . 0 0 "[ . 1 . 2]" 1
494 1 59 VAL HA 1 59 VAL MG1 . . 3.210 2.290 2.194 2.454 . 0 0 "[ . 1 . 2]" 1
495 1 60 VAL H 1 60 VAL MG2 . . 3.910 3.761 3.746 3.787 . 0 0 "[ . 1 . 2]" 1
496 1 60 VAL HA 1 60 VAL MG2 . . 3.400 2.443 2.345 2.537 . 0 0 "[ . 1 . 2]" 1
497 1 60 VAL MG2 1 61 ALA MB . . 3.900 3.382 3.115 3.885 . 0 0 "[ . 1 . 2]" 1
498 1 10 THR MG 1 12 ILE MD . . 3.740 3.081 2.331 3.699 . 0 0 "[ . 1 . 2]" 1
499 1 10 THR MG 1 11 ALA H . . 3.690 2.227 1.886 2.594 . 0 0 "[ . 1 . 2]" 1
500 1 91 LEU HB2 1 92 THR MG . . 3.660 3.256 2.722 3.660 . 0 0 "[ . 1 . 2]" 1
501 1 47 VAL MG2 1 48 GLY H . . 3.570 3.388 3.133 3.571 0.001 4 0 "[ . 1 . 2]" 1
502 1 9 THR HA 1 9 THR MG . . 3.420 2.334 2.237 2.452 . 0 0 "[ . 1 . 2]" 1
503 1 78 VAL MG1 1 79 HIS H . . 3.580 2.946 2.339 3.318 . 0 0 "[ . 1 . 2]" 1
504 1 78 VAL HA 1 78 VAL MG1 . . 3.250 2.399 2.254 2.505 . 0 0 "[ . 1 . 2]" 1
505 1 74 ALA MB 1 78 VAL MG1 . . 3.120 2.452 1.943 3.079 . 0 0 "[ . 1 . 2]" 1
506 1 78 VAL H 1 78 VAL MG2 . . 3.460 2.734 2.383 3.111 . 0 0 "[ . 1 . 2]" 1
507 1 78 VAL HA 1 78 VAL MG2 . . 3.260 2.353 2.149 2.519 . 0 0 "[ . 1 . 2]" 1
508 1 62 THR HA 1 63 PRO HD3 . . 3.210 2.254 2.254 2.255 . 0 0 "[ . 1 . 2]" 1
509 1 62 THR HA 1 63 PRO HD2 . . 3.210 2.181 2.163 2.187 . 0 0 "[ . 1 . 2]" 1
510 1 62 THR MG 1 63 PRO HD2 . . 3.620 1.820 1.814 1.844 . 0 0 "[ . 1 . 2]" 1
511 1 59 VAL H 1 59 VAL MG2 . . 3.340 2.084 1.912 2.287 . 0 0 "[ . 1 . 2]" 1
512 1 53 GLU HA 1 59 VAL MG2 . . 3.470 2.510 2.100 2.953 . 0 0 "[ . 1 . 2]" 1
513 1 54 ILE HG12 1 59 VAL MG2 . . 4.130 3.457 2.785 4.126 . 0 0 "[ . 1 . 2]" 1
514 1 55 ASN HD21 1 74 ALA MB . . 3.970 3.007 2.397 3.792 . 0 0 "[ . 1 . 2]" 1
515 1 71 LEU HA 1 74 ALA MB . . 3.540 2.847 2.544 3.225 . 0 0 "[ . 1 . 2]" 1
516 1 74 ALA MB 1 78 VAL MG2 . . 2.900 2.040 1.838 2.478 . 0 0 "[ . 1 . 2]" 1
517 1 31 ILE MG 1 32 CYS H . . 3.520 2.158 1.883 2.376 . 0 0 "[ . 1 . 2]" 1
518 1 24 PHE QD 1 31 ILE MG . . 3.550 3.047 2.471 3.496 . 0 0 "[ . 1 . 2]" 1
519 1 31 ILE MG 1 47 VAL HA . . 3.250 2.070 1.959 2.420 . 0 0 "[ . 1 . 2]" 1
520 1 24 PHE HB2 1 31 ILE MG . . 3.670 2.298 2.029 2.648 . 0 0 "[ . 1 . 2]" 1
521 1 31 ILE HG12 1 31 ILE MG . . 3.410 2.130 2.039 2.257 . 0 0 "[ . 1 . 2]" 1
522 1 31 ILE MG 1 45 ILE MG . . 3.120 2.622 2.407 2.811 . 0 0 "[ . 1 . 2]" 1
523 1 40 ALA H 1 40 ALA MB . . 3.170 2.109 2.026 2.238 . 0 0 "[ . 1 . 2]" 1
524 1 24 PHE QD 1 40 ALA MB . . 3.130 2.012 1.897 2.275 . 0 0 "[ . 1 . 2]" 1
525 1 34 LEU MD2 1 40 ALA MB . . 3.110 1.954 1.733 2.224 . 0 0 "[ . 1 . 2]" 1
526 1 40 ALA MB 1 45 ILE HG13 . . 3.820 2.159 1.963 2.702 . 0 0 "[ . 1 . 2]" 1
527 1 40 ALA MB 1 45 ILE MG . . 3.540 2.844 2.502 3.096 . 0 0 "[ . 1 . 2]" 1
528 1 18 ALA H 1 18 ALA MB . . 3.380 2.246 2.107 2.312 . 0 0 "[ . 1 . 2]" 1
529 1 18 ALA MB 1 19 ARG HA . . 3.970 3.827 3.615 3.913 . 0 0 "[ . 1 . 2]" 1
530 1 52 ILE MG 1 88 TYR QD . . 3.640 2.855 2.046 3.312 . 0 0 "[ . 1 . 2]" 1
531 1 52 ILE HA 1 52 ILE MG . . 3.270 2.341 2.228 2.412 . 0 0 "[ . 1 . 2]" 1
532 1 85 ALA H 1 85 ALA MB . . 3.160 2.142 2.038 2.247 . 0 0 "[ . 1 . 2]" 1
533 1 39 ILE H 1 39 ILE MG . . 3.950 3.810 3.762 3.843 . 0 0 "[ . 1 . 2]" 1
534 1 39 ILE HA 1 39 ILE MG . . 3.070 2.264 2.117 2.363 . 0 0 "[ . 1 . 2]" 1
535 1 39 ILE HG13 1 39 ILE MG . . 3.640 3.193 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
536 1 39 ILE HG12 1 39 ILE MG . . 3.180 2.299 2.199 2.388 . 0 0 "[ . 1 . 2]" 1
537 1 65 ALA H 1 65 ALA MB . . 2.830 2.191 2.059 2.263 . 0 0 "[ . 1 . 2]" 1
538 1 80 ILE MG 1 81 LYS H . . 3.520 2.907 2.657 3.031 . 0 0 "[ . 1 . 2]" 1
539 1 45 ILE HA 1 45 ILE MG . . 3.580 2.365 2.273 2.459 . 0 0 "[ . 1 . 2]" 1
540 1 34 LEU MD1 1 45 ILE MG . . 3.170 2.248 1.964 2.506 . 0 0 "[ . 1 . 2]" 1
541 1 13 ILE MG 1 40 ALA HA . . 3.740 3.129 2.518 3.742 0.002 4 0 "[ . 1 . 2]" 1
542 1 13 ILE MG 1 14 HIS H . . 3.710 2.041 1.814 2.462 . 0 0 "[ . 1 . 2]" 1
543 1 13 ILE HA 1 13 ILE MG . . 3.330 2.274 2.099 2.422 . 0 0 "[ . 1 . 2]" 1
544 1 13 ILE MG 1 39 ILE HB . . 3.690 2.665 2.457 2.966 . 0 0 "[ . 1 . 2]" 1
545 1 13 ILE HG12 1 13 ILE MG . . 3.570 3.187 3.174 3.201 . 0 0 "[ . 1 . 2]" 1
546 1 13 ILE MG 1 15 ARG HG3 . . 4.080 2.331 1.969 2.866 . 0 0 "[ . 1 . 2]" 1
547 1 13 ILE MG 1 39 ILE MG . . 3.670 1.916 1.732 2.297 . 0 0 "[ . 1 . 2]" 1
548 1 51 ILE MG 1 53 GLU H . . 3.610 2.300 1.977 2.720 . 0 0 "[ . 1 . 2]" 1
549 1 51 ILE HA 1 51 ILE MG . . 3.430 2.292 2.109 2.433 . 0 0 "[ . 1 . 2]" 1
550 1 68 ILE HG12 1 68 ILE MG . . 3.370 3.190 3.165 3.203 . 0 0 "[ . 1 . 2]" 1
551 1 12 ILE HA 1 12 ILE MG . . 3.350 2.296 2.150 2.472 . 0 0 "[ . 1 . 2]" 1
552 1 12 ILE HG13 1 12 ILE MG . . 3.670 2.732 2.245 3.191 . 0 0 "[ . 1 . 2]" 1
553 1 30 ILE MG 1 31 ILE H . . 3.480 2.673 2.516 2.849 . 0 0 "[ . 1 . 2]" 1
554 1 30 ILE HA 1 30 ILE MG . . 3.440 2.345 2.227 2.433 . 0 0 "[ . 1 . 2]" 1
555 1 30 ILE MG 1 48 GLY HA2 . . 3.620 3.312 2.750 3.587 . 0 0 "[ . 1 . 2]" 1
556 1 30 ILE MG 1 85 ALA MB . . 4.000 3.934 3.686 4.003 0.003 4 0 "[ . 1 . 2]" 1
557 1 83 MET ME 1 87 THR HB . . 3.580 3.143 2.190 3.500 . 0 0 "[ . 1 . 2]" 1
558 1 83 MET ME 1 88 TYR HA . . 3.820 2.957 2.540 3.361 . 0 0 "[ . 1 . 2]" 1
559 1 83 MET ME 1 83 MET HG3 . . 3.490 2.640 2.151 3.130 . 0 0 "[ . 1 . 2]" 1
560 1 83 MET ME 1 87 THR MG . . 3.010 2.384 1.886 2.998 . 0 0 "[ . 1 . 2]" 1
561 1 8 VAL MG2 1 83 MET ME . . 2.850 2.175 1.812 2.847 . 0 0 "[ . 1 . 2]" 1
562 1 83 MET ME 1 91 LEU MD2 . . 3.890 3.641 3.407 3.889 . 0 0 "[ . 1 . 2]" 1
563 1 54 ILE MG 1 71 LEU HG . . 3.310 2.918 2.693 3.170 . 0 0 "[ . 1 . 2]" 1
564 1 54 ILE HG12 1 54 ILE MG . . 2.990 2.142 2.025 2.206 . 0 0 "[ . 1 . 2]" 1
565 1 54 ILE MD 1 55 ASN H . . 3.730 3.235 3.000 3.409 . 0 0 "[ . 1 . 2]" 1
566 1 54 ILE HA 1 54 ILE MD . . 3.530 3.515 3.425 3.563 0.033 4 0 "[ . 1 . 2]" 1
567 1 54 ILE HB 1 54 ILE MD . . 2.960 2.244 2.216 2.258 . 0 0 "[ . 1 . 2]" 1
568 1 21 GLN HA 1 21 GLN HG2 . . 4.190 3.023 2.346 3.756 . 0 0 "[ . 1 . 2]" 1
569 1 21 GLN HA 1 22 LEU HG . . 4.630 4.238 4.051 4.341 . 0 0 "[ . 1 . 2]" 1
570 1 21 GLN HA 1 22 LEU HB2 . . 4.650 4.422 4.358 4.486 . 0 0 "[ . 1 . 2]" 1
571 1 21 GLN HA 1 22 LEU MD1 . . 5.360 5.041 4.579 5.363 0.003 1 0 "[ . 1 . 2]" 1
572 1 21 GLN HA 1 22 LEU MD2 . . 5.500 5.133 4.515 5.510 0.010 7 0 "[ . 1 . 2]" 1
573 1 21 GLN HB3 1 23 GLY H . . 4.750 3.804 3.041 4.746 . 0 0 "[ . 1 . 2]" 1
574 1 21 GLN HB2 1 23 GLY H . . 4.750 4.007 2.950 4.711 . 0 0 "[ . 1 . 2]" 1
575 1 21 GLN H 1 21 GLN HB3 . . 4.000 3.243 2.482 3.602 . 0 0 "[ . 1 . 2]" 1
576 1 21 GLN HA 1 21 GLN HG3 . . 4.190 3.551 2.812 4.201 0.011 18 0 "[ . 1 . 2]" 1
577 1 22 LEU HA 1 22 LEU HG . . 3.910 2.747 2.514 3.066 . 0 0 "[ . 1 . 2]" 1
578 1 22 LEU HA 1 24 PHE QE . . 5.070 4.162 3.774 4.549 . 0 0 "[ . 1 . 2]" 1
579 1 22 LEU HB2 1 23 GLY H . . 4.360 2.637 2.354 2.893 . 0 0 "[ . 1 . 2]" 1
580 1 22 LEU HB2 1 24 PHE QD . . 5.090 4.293 3.689 4.618 . 0 0 "[ . 1 . 2]" 1
581 1 22 LEU H 1 22 LEU HB3 . . 3.980 3.544 3.510 3.613 . 0 0 "[ . 1 . 2]" 1
582 1 22 LEU HG 1 24 PHE QE . . 4.920 4.296 3.675 4.835 . 0 0 "[ . 1 . 2]" 1
583 1 22 LEU HG 1 24 PHE HZ . . 5.500 4.943 4.635 5.247 . 0 0 "[ . 1 . 2]" 1
584 1 22 LEU MD1 1 71 LEU HB2 . . 4.540 4.212 3.723 4.537 . 0 0 "[ . 1 . 2]" 1
585 1 22 LEU H 1 22 LEU MD2 . . 4.440 4.156 3.761 4.371 . 0 0 "[ . 1 . 2]" 1
586 1 15 ARG HD3 1 22 LEU MD2 . . 4.310 3.090 1.956 4.305 . 0 0 "[ . 1 . 2]" 1
587 1 15 ARG HB2 1 22 LEU MD2 . . 5.050 4.535 4.046 4.976 . 0 0 "[ . 1 . 2]" 1
588 1 24 PHE HA 1 34 LEU MD1 . . 4.740 4.462 4.231 4.744 0.004 18 0 "[ . 1 . 2]" 1
589 1 24 PHE HA 1 34 LEU HA . . 3.530 2.054 2.002 2.111 . 0 0 "[ . 1 . 2]" 1
590 1 24 PHE HB3 1 25 CYS H . . 4.290 4.163 4.065 4.279 . 0 0 "[ . 1 . 2]" 1
591 1 24 PHE HB2 1 34 LEU HG . . 4.700 3.239 3.094 3.445 . 0 0 "[ . 1 . 2]" 1
592 1 24 PHE HB3 1 34 LEU HG . . 4.640 2.412 2.223 2.621 . 0 0 "[ . 1 . 2]" 1
593 1 25 CYS HA 1 26 VAL H . . 3.390 2.147 2.139 2.173 . 0 0 "[ . 1 . 2]" 1
594 1 13 ILE MG 1 14 HIS HB2 . . 4.650 3.966 3.794 4.111 . 0 0 "[ . 1 . 2]" 1
595 1 25 CYS HB2 1 33 SER H . . 4.560 3.403 2.428 4.130 . 0 0 "[ . 1 . 2]" 1
596 1 32 CYS HB2 1 33 SER H . . 4.800 3.432 2.560 3.818 . 0 0 "[ . 1 . 2]" 1
597 1 26 VAL HA 1 30 ILE H . . 4.820 4.021 3.877 4.154 . 0 0 "[ . 1 . 2]" 1
598 1 26 VAL H 1 26 VAL MG1 . . 4.080 3.797 3.761 3.833 . 0 0 "[ . 1 . 2]" 1
599 1 24 PHE QE 1 26 VAL MG1 . . 4.650 4.363 4.121 4.557 . 0 0 "[ . 1 . 2]" 1
600 1 26 VAL MG1 1 31 ILE HA . . 4.550 3.529 3.392 3.616 . 0 0 "[ . 1 . 2]" 1
601 1 26 VAL MG1 1 68 ILE MD . . 3.510 3.328 3.056 3.516 0.006 18 0 "[ . 1 . 2]" 1
602 1 26 VAL MG2 1 29 GLY H . . 5.010 4.879 4.725 4.975 . 0 0 "[ . 1 . 2]" 1
603 1 26 VAL MG2 1 30 ILE H . . 4.640 4.526 4.273 4.641 0.001 15 0 "[ . 1 . 2]" 1
604 1 26 VAL MG2 1 31 ILE HA . . 4.030 2.884 2.622 3.187 . 0 0 "[ . 1 . 2]" 1
605 1 26 VAL MG2 1 29 GLY HA2 . . 4.600 4.355 4.142 4.465 . 0 0 "[ . 1 . 2]" 1
606 1 26 VAL MG2 1 31 ILE HG13 . . 4.100 2.641 2.177 2.848 . 0 0 "[ . 1 . 2]" 1
607 1 26 VAL MG1 1 27 GLU HA . . 4.500 3.504 3.151 3.681 . 0 0 "[ . 1 . 2]" 1
608 1 27 GLU H 1 27 GLU HG2 . . 4.930 3.705 2.625 4.661 . 0 0 "[ . 1 . 2]" 1
609 1 27 GLU H 1 27 GLU HG3 . . 4.930 3.659 2.532 4.517 . 0 0 "[ . 1 . 2]" 1
610 1 27 GLU HA 1 28 ASP HA . . 4.630 4.364 4.361 4.368 . 0 0 "[ . 1 . 2]" 1
611 1 28 ASP HA 1 64 HIS HB2 . . 3.950 2.409 1.999 3.117 . 0 0 "[ . 1 . 2]" 1
612 1 28 ASP HA 1 64 HIS HB3 . . 4.540 3.661 2.875 4.489 . 0 0 "[ . 1 . 2]" 1
613 1 26 VAL MG1 1 28 ASP HA . . 4.990 4.652 4.515 4.775 . 0 0 "[ . 1 . 2]" 1
614 1 28 ASP HB2 1 30 ILE MD . . 4.450 4.199 3.757 4.451 0.001 7 0 "[ . 1 . 2]" 1
615 1 28 ASP HB3 1 30 ILE MD . . 4.450 3.998 2.917 4.418 . 0 0 "[ . 1 . 2]" 1
616 1 26 VAL MG1 1 29 GLY HA2 . . 3.710 2.404 2.251 2.607 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL MG1 1 29 GLY HA3 . . 3.960 3.695 3.547 3.896 . 0 0 "[ . 1 . 2]" 1
618 1 26 VAL MG1 1 30 ILE HA . . 3.650 3.604 3.460 3.651 0.001 3 0 "[ . 1 . 2]" 1
619 1 27 GLU H 1 30 ILE HB . . 4.660 3.849 3.644 4.001 . 0 0 "[ . 1 . 2]" 1
620 1 30 ILE MG 1 31 ILE HA . . 4.620 4.197 4.005 4.451 . 0 0 "[ . 1 . 2]" 1
621 1 30 ILE MG 1 49 HIS H . . 4.650 4.079 3.165 4.533 . 0 0 "[ . 1 . 2]" 1
622 1 30 ILE H 1 30 ILE MG . . 4.180 3.903 3.832 3.971 . 0 0 "[ . 1 . 2]" 1
623 1 30 ILE MG 1 48 GLY H . . 3.900 3.525 3.116 3.825 . 0 0 "[ . 1 . 2]" 1
624 1 30 ILE MG 1 31 ILE HB . . 4.340 4.027 3.831 4.189 . 0 0 "[ . 1 . 2]" 1
625 1 30 ILE H 1 30 ILE MD . . 4.430 4.222 3.903 4.392 . 0 0 "[ . 1 . 2]" 1
626 1 30 ILE MD 1 50 ARG HE . . 4.740 3.255 1.824 4.743 0.003 20 0 "[ . 1 . 2]" 1
627 1 29 GLY HA3 1 30 ILE MD . . 5.330 4.901 4.610 5.070 . 0 0 "[ . 1 . 2]" 1
628 1 30 ILE MD 1 50 ARG HB2 . . 4.320 2.757 1.964 4.274 . 0 0 "[ . 1 . 2]" 1
629 1 30 ILE MD 1 50 ARG HB3 . . 4.320 4.111 3.346 4.320 . 7 0 "[ . 1 . 2]" 1
630 1 30 ILE H 1 31 ILE HA . . 5.270 4.678 4.637 4.747 . 0 0 "[ . 1 . 2]" 1
631 1 31 ILE HA 1 33 SER H . . 5.450 4.274 4.050 4.535 . 0 0 "[ . 1 . 2]" 1
632 1 31 ILE HA 1 31 ILE HG12 . . 4.160 2.823 2.752 2.876 . 0 0 "[ . 1 . 2]" 1
633 1 31 ILE HB 1 48 GLY H . . 4.210 3.012 2.569 3.348 . 0 0 "[ . 1 . 2]" 1
634 1 31 ILE HB 1 49 HIS H . . 3.980 3.546 2.958 3.929 . 0 0 "[ . 1 . 2]" 1
635 1 31 ILE HG12 1 32 CYS H . . 4.770 4.453 4.207 4.560 . 0 0 "[ . 1 . 2]" 1
636 1 31 ILE H 1 31 ILE HG12 . . 4.020 3.502 3.433 3.745 . 0 0 "[ . 1 . 2]" 1
637 1 24 PHE QD 1 31 ILE HG12 . . 4.150 2.509 2.011 2.832 . 0 0 "[ . 1 . 2]" 1
638 1 31 ILE HG12 1 45 ILE MG . . 4.380 3.353 3.116 3.602 . 0 0 "[ . 1 . 2]" 1
639 1 24 PHE QD 1 31 ILE HG13 . . 4.670 4.085 3.660 4.394 . 0 0 "[ . 1 . 2]" 1
640 1 31 ILE HA 1 31 ILE HG13 . . 4.170 2.795 2.668 2.861 . 0 0 "[ . 1 . 2]" 1
641 1 31 ILE MD 1 31 ILE MG . . 3.320 2.366 2.241 2.478 . 0 0 "[ . 1 . 2]" 1
642 1 24 PHE HB3 1 31 ILE MG . . 3.970 3.653 3.443 3.945 . 0 0 "[ . 1 . 2]" 1
643 1 24 PHE HA 1 31 ILE MG . . 4.420 3.648 3.452 3.775 . 0 0 "[ . 1 . 2]" 1
644 1 31 ILE MG 1 33 SER H . . 3.850 3.044 2.666 3.424 . 0 0 "[ . 1 . 2]" 1
645 1 31 ILE H 1 31 ILE MG . . 4.320 3.764 3.755 3.768 . 0 0 "[ . 1 . 2]" 1
646 1 31 ILE MD 1 48 GLY H . . 5.050 4.576 4.184 4.880 . 0 0 "[ . 1 . 2]" 1
647 1 31 ILE MD 1 49 HIS H . . 4.310 3.955 3.645 4.267 . 0 0 "[ . 1 . 2]" 1
648 1 31 ILE H 1 31 ILE MD . . 4.230 3.137 3.057 3.227 . 0 0 "[ . 1 . 2]" 1
649 1 31 ILE MD 1 46 ARG H . . 4.890 3.242 3.026 3.619 . 0 0 "[ . 1 . 2]" 1
650 1 30 ILE HA 1 31 ILE MD . . 4.680 4.590 4.502 4.678 . 0 0 "[ . 1 . 2]" 1
651 1 31 ILE HA 1 31 ILE MD . . 3.950 3.910 3.858 3.932 . 0 0 "[ . 1 . 2]" 1
652 1 31 ILE MD 1 45 ILE HA . . 4.780 3.871 3.596 4.097 . 0 0 "[ . 1 . 2]" 1
653 1 26 VAL MG2 1 31 ILE MD . . 3.430 3.304 3.103 3.430 0.000 13 0 "[ . 1 . 2]" 1
654 1 31 ILE MD 1 80 ILE MG . . 3.720 3.349 3.106 3.624 . 0 0 "[ . 1 . 2]" 1
655 1 31 ILE MD 1 45 ILE MG . . 3.070 1.847 1.721 2.062 . 0 0 "[ . 1 . 2]" 1
656 1 32 CYS HA 1 47 VAL MG1 . . 4.270 3.803 3.473 4.086 . 0 0 "[ . 1 . 2]" 1
657 1 32 CYS HA 1 47 VAL MG2 . . 4.700 4.166 3.962 4.369 . 0 0 "[ . 1 . 2]" 1
658 1 32 CYS H 1 32 CYS HB3 . . 3.930 2.909 2.498 3.729 . 0 0 "[ . 1 . 2]" 1
659 1 32 CYS H 1 32 CYS HB2 . . 3.930 2.792 2.430 3.100 . 0 0 "[ . 1 . 2]" 1
660 1 33 SER HA 1 34 LEU HB2 . . 4.950 4.048 4.004 4.131 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE MG 1 33 SER HA . . 4.320 4.161 4.042 4.289 . 0 0 "[ . 1 . 2]" 1
662 1 34 LEU HA 1 34 LEU MD2 . . 3.860 2.809 2.494 2.946 . 0 0 "[ . 1 . 2]" 1
663 1 24 PHE HB2 1 34 LEU HB2 . . 5.000 4.634 4.184 4.901 . 0 0 "[ . 1 . 2]" 1
664 1 34 LEU HB3 1 35 LEU H . . 4.450 3.862 3.775 4.001 . 0 0 "[ . 1 . 2]" 1
665 1 24 PHE HB3 1 34 LEU HB3 . . 5.500 5.350 5.151 5.493 . 0 0 "[ . 1 . 2]" 1
666 1 34 LEU H 1 34 LEU HG . . 4.820 4.660 4.615 4.776 . 0 0 "[ . 1 . 2]" 1
667 1 34 LEU HG 1 35 LEU H . . 4.910 3.344 3.180 3.680 . 0 0 "[ . 1 . 2]" 1
668 1 34 LEU HG 1 41 GLU HB2 . . 5.240 4.998 4.784 5.238 . 0 0 "[ . 1 . 2]" 1
669 1 34 LEU MD1 1 41 GLU H . . 4.420 3.321 3.046 3.579 . 0 0 "[ . 1 . 2]" 1
670 1 34 LEU H 1 34 LEU MD1 . . 4.850 4.581 4.517 4.656 . 0 0 "[ . 1 . 2]" 1
671 1 34 LEU MD1 1 47 VAL H . . 4.240 3.067 2.675 3.649 . 0 0 "[ . 1 . 2]" 1
672 1 34 LEU MD1 1 46 ARG HA . . 3.830 2.930 2.635 3.312 . 0 0 "[ . 1 . 2]" 1
673 1 34 LEU MD1 1 41 GLU HA . . 3.830 2.646 2.231 2.881 . 0 0 "[ . 1 . 2]" 1
674 1 24 PHE HB3 1 34 LEU MD1 . . 4.260 3.514 3.317 3.944 . 0 0 "[ . 1 . 2]" 1
675 1 24 PHE HB2 1 34 LEU MD1 . . 4.570 4.066 3.870 4.531 . 0 0 "[ . 1 . 2]" 1
676 1 24 PHE HB3 1 34 LEU MD2 . . 3.830 3.343 3.137 3.552 . 0 0 "[ . 1 . 2]" 1
677 1 24 PHE HB2 1 34 LEU MD2 . . 4.740 4.498 4.226 4.739 . 0 0 "[ . 1 . 2]" 1
678 1 34 LEU MD2 1 35 LEU HA . . 4.140 3.789 3.575 3.908 . 0 0 "[ . 1 . 2]" 1
679 1 24 PHE HA 1 34 LEU MD2 . . 4.530 3.589 3.115 3.903 . 0 0 "[ . 1 . 2]" 1
680 1 24 PHE QD 1 34 LEU MD2 . . 4.400 4.323 4.160 4.397 . 0 0 "[ . 1 . 2]" 1
681 1 34 LEU MD2 1 45 ILE H . . 4.970 4.771 4.334 4.940 . 0 0 "[ . 1 . 2]" 1
682 1 34 LEU MD2 1 35 LEU H . . 3.900 2.223 1.970 2.509 . 0 0 "[ . 1 . 2]" 1
683 1 34 LEU MD2 1 40 ALA H . . 4.860 3.849 3.632 4.019 . 0 0 "[ . 1 . 2]" 1
684 1 34 LEU H 1 34 LEU MD2 . . 4.990 4.265 4.133 4.339 . 0 0 "[ . 1 . 2]" 1
685 1 34 LEU MD2 1 41 GLU H . . 3.880 2.023 1.868 2.227 . 0 0 "[ . 1 . 2]" 1
686 1 34 LEU MD2 1 41 GLU HB3 . . 4.250 3.587 3.406 3.831 . 0 0 "[ . 1 . 2]" 1
687 1 34 LEU MD2 1 41 GLU HB2 . . 4.110 2.241 2.032 2.499 . 0 0 "[ . 1 . 2]" 1
688 1 35 LEU H 1 35 LEU HG . . 4.720 4.450 4.399 4.535 . 0 0 "[ . 1 . 2]" 1
689 1 35 LEU HA 1 35 LEU HG . . 4.100 2.906 2.795 3.042 . 0 0 "[ . 1 . 2]" 1
690 1 23 GLY HA2 1 35 LEU HG . . 4.980 4.318 4.120 4.578 . 0 0 "[ . 1 . 2]" 1
691 1 23 GLY H 1 35 LEU MD1 . . 5.360 5.073 4.767 5.340 . 0 0 "[ . 1 . 2]" 1
692 1 35 LEU H 1 35 LEU MD1 . . 4.520 4.140 3.912 4.251 . 0 0 "[ . 1 . 2]" 1
693 1 23 GLY HA3 1 35 LEU MD1 . . 4.370 4.278 4.007 4.371 0.001 9 0 "[ . 1 . 2]" 1
694 1 23 GLY HA2 1 35 LEU MD1 . . 4.370 3.196 3.076 3.328 . 0 0 "[ . 1 . 2]" 1
695 1 35 LEU MD1 1 36 ARG HB2 . . 5.500 5.239 3.929 5.472 . 0 0 "[ . 1 . 2]" 1
696 1 35 LEU MD1 1 36 ARG HB3 . . 5.500 4.893 4.475 5.332 . 0 0 "[ . 1 . 2]" 1
697 1 23 GLY HA3 1 35 LEU MD2 . . 4.300 2.626 2.297 3.003 . 0 0 "[ . 1 . 2]" 1
698 1 35 LEU MD2 1 38 GLY HA3 . . 4.130 2.261 1.990 2.690 . 0 0 "[ . 1 . 2]" 1
699 1 23 GLY HA2 1 35 LEU MD2 . . 4.300 2.308 2.067 2.592 . 0 0 "[ . 1 . 2]" 1
700 1 35 LEU H 1 35 LEU MD2 . . 4.760 4.186 4.074 4.242 . 0 0 "[ . 1 . 2]" 1
701 1 36 ARG HA 1 36 ARG HG3 . . 3.830 2.671 2.340 3.820 . 0 0 "[ . 1 . 2]" 1
702 1 36 ARG H 1 36 ARG HG3 . . 4.610 4.275 2.836 4.579 . 0 0 "[ . 1 . 2]" 1
703 1 36 ARG H 1 36 ARG HG2 . . 4.610 4.380 2.085 4.633 0.023 9 0 "[ . 1 . 2]" 1
704 1 36 ARG HG2 1 37 GLY H . . 4.730 3.632 2.229 4.732 0.002 12 0 "[ . 1 . 2]" 1
705 1 36 ARG HA 1 36 ARG HD2 . . 5.500 4.292 2.669 4.826 . 0 0 "[ . 1 . 2]" 1
706 1 36 ARG HA 1 36 ARG HD3 . . 5.500 4.240 2.378 5.444 . 0 0 "[ . 1 . 2]" 1
707 1 38 GLY HA3 1 39 ILE HG12 . . 5.150 4.992 4.840 5.110 . 0 0 "[ . 1 . 2]" 1
708 1 38 GLY HA2 1 40 ALA H . . 5.320 5.048 4.706 5.270 . 0 0 "[ . 1 . 2]" 1
709 1 39 ILE HA 1 43 GLY H . . 4.910 4.167 3.909 4.451 . 0 0 "[ . 1 . 2]" 1
710 1 39 ILE HA 1 39 ILE HG12 . . 3.950 2.740 2.639 2.846 . 0 0 "[ . 1 . 2]" 1
711 1 39 ILE HA 1 39 ILE MD . . 4.240 3.916 3.845 3.968 . 0 0 "[ . 1 . 2]" 1
712 1 39 ILE HG12 1 40 ALA H . . 4.790 4.752 4.620 4.791 0.001 4 0 "[ . 1 . 2]" 1
713 1 13 ILE MG 1 15 ARG HG2 . . 4.080 3.002 2.110 3.710 . 0 0 "[ . 1 . 2]" 1
714 1 14 HIS H 1 39 ILE MG . . 4.160 2.001 1.823 2.346 . 0 0 "[ . 1 . 2]" 1
715 1 39 ILE MG 1 40 ALA H . . 4.000 3.689 3.462 3.962 . 0 0 "[ . 1 . 2]" 1
716 1 13 ILE HA 1 39 ILE MG . . 4.260 3.101 2.360 3.545 . 0 0 "[ . 1 . 2]" 1
717 1 14 HIS HB2 1 39 ILE MG . . 4.670 2.562 2.293 2.940 . 0 0 "[ . 1 . 2]" 1
718 1 13 ILE MG 1 39 ILE MD . . 3.390 3.083 2.646 3.263 . 0 0 "[ . 1 . 2]" 1
719 1 22 LEU MD2 1 39 ILE MD . . 4.130 3.442 2.372 4.122 . 0 0 "[ . 1 . 2]" 1
720 1 14 HIS HB2 1 39 ILE MD . . 5.450 4.335 4.042 5.125 . 0 0 "[ . 1 . 2]" 1
721 1 14 HIS HB3 1 39 ILE MD . . 5.500 4.623 4.144 5.365 . 0 0 "[ . 1 . 2]" 1
722 1 16 PRO HD2 1 39 ILE MD . . 4.470 2.976 2.690 3.351 . 0 0 "[ . 1 . 2]" 1
723 1 22 LEU HA 1 39 ILE MD . . 4.020 3.223 2.469 3.861 . 0 0 "[ . 1 . 2]" 1
724 1 39 ILE MD 1 40 ALA H . . 4.550 4.293 4.090 4.550 0.000 18 0 "[ . 1 . 2]" 1
725 1 39 ILE H 1 39 ILE MD . . 4.290 3.560 3.431 3.654 . 0 0 "[ . 1 . 2]" 1
726 1 13 ILE HG13 1 40 ALA HA . . 4.150 4.019 3.864 4.152 0.002 19 0 "[ . 1 . 2]" 1
727 1 40 ALA HA 1 45 ILE MG . . 5.170 4.480 4.000 4.696 . 0 0 "[ . 1 . 2]" 1
728 1 24 PHE QD 1 40 ALA HA . . 5.160 3.752 3.306 4.164 . 0 0 "[ . 1 . 2]" 1
729 1 40 ALA MB 1 45 ILE H . . 4.380 3.673 3.473 3.820 . 0 0 "[ . 1 . 2]" 1
730 1 24 PHE HB2 1 40 ALA MB . . 4.580 3.612 3.183 3.968 . 0 0 "[ . 1 . 2]" 1
731 1 24 PHE HB3 1 40 ALA MB . . 4.230 2.249 1.891 2.599 . 0 0 "[ . 1 . 2]" 1
732 1 41 GLU HA 1 45 ILE HB . . 4.480 3.930 3.577 4.302 . 0 0 "[ . 1 . 2]" 1
733 1 41 GLU HA 1 45 ILE H . . 4.190 3.450 3.084 4.117 . 0 0 "[ . 1 . 2]" 1
734 1 41 GLU HB2 1 42 ARG H . . 4.390 3.702 3.499 3.954 . 0 0 "[ . 1 . 2]" 1
735 1 40 ALA MB 1 41 GLU HB2 . . 4.680 3.841 3.670 3.987 . 0 0 "[ . 1 . 2]" 1
736 1 41 GLU H 1 41 GLU HG2 . . 4.830 4.458 4.139 4.612 . 0 0 "[ . 1 . 2]" 1
737 1 41 GLU H 1 41 GLU HG3 . . 4.830 4.392 4.122 4.630 . 0 0 "[ . 1 . 2]" 1
738 1 41 GLU HA 1 41 GLU HG3 . . 3.890 2.862 2.312 3.727 . 0 0 "[ . 1 . 2]" 1
739 1 42 ARG HA 1 44 GLY H . . 4.810 4.611 4.425 4.768 . 0 0 "[ . 1 . 2]" 1
740 1 41 GLU HB3 1 42 ARG HA . . 4.450 4.099 3.940 4.347 . 0 0 "[ . 1 . 2]" 1
741 1 42 ARG H 1 42 ARG HG2 . . 4.310 3.763 3.306 4.146 . 0 0 "[ . 1 . 2]" 1
742 1 42 ARG HB2 1 42 ARG HD3 . . 4.220 2.773 2.221 3.591 . 0 0 "[ . 1 . 2]" 1
743 1 42 ARG HB3 1 42 ARG HD3 . . 4.220 2.725 2.244 4.206 . 0 0 "[ . 1 . 2]" 1
744 1 42 ARG HA 1 42 ARG HD3 . . 4.760 4.382 3.980 4.563 . 0 0 "[ . 1 . 2]" 1
745 1 42 ARG HA 1 42 ARG HD2 . . 4.760 4.560 3.259 4.760 0.000 16 0 "[ . 1 . 2]" 1
746 1 13 ILE MD 1 43 GLY HA3 . . 4.650 2.218 2.008 2.605 . 0 0 "[ . 1 . 2]" 1
747 1 13 ILE HG13 1 43 GLY HA3 . . 5.050 5.007 4.894 5.052 0.002 18 0 "[ . 1 . 2]" 1
748 1 13 ILE HG12 1 43 GLY HA3 . . 4.920 4.134 3.746 4.358 . 0 0 "[ . 1 . 2]" 1
749 1 45 ILE MG 1 46 ARG H . . 3.890 2.179 1.909 2.467 . 0 0 "[ . 1 . 2]" 1
750 1 45 ILE H 1 45 ILE MG . . 4.090 3.779 3.755 3.801 . 0 0 "[ . 1 . 2]" 1
751 1 24 PHE QD 1 45 ILE MG . . 3.900 3.416 3.253 3.610 . 0 0 "[ . 1 . 2]" 1
752 1 45 ILE MG 1 46 ARG HA . . 4.550 3.540 3.440 3.730 . 0 0 "[ . 1 . 2]" 1
753 1 24 PHE HB2 1 45 ILE MG . . 4.500 2.668 2.370 2.981 . 0 0 "[ . 1 . 2]" 1
754 1 24 PHE HB3 1 45 ILE MG . . 4.350 2.671 2.233 2.976 . 0 0 "[ . 1 . 2]" 1
755 1 31 ILE HB 1 45 ILE MG . . 4.530 3.860 3.678 4.028 . 0 0 "[ . 1 . 2]" 1
756 1 31 ILE HG13 1 45 ILE MG . . 4.500 4.208 4.008 4.448 . 0 0 "[ . 1 . 2]" 1
757 1 45 ILE MD 1 80 ILE HB . . 3.810 2.796 2.573 3.110 . 0 0 "[ . 1 . 2]" 1
758 1 40 ALA HA 1 45 ILE MD . . 4.730 3.991 3.538 4.452 . 0 0 "[ . 1 . 2]" 1
759 1 24 PHE QE 1 45 ILE MD . . 4.350 4.132 3.556 4.349 . 0 0 "[ . 1 . 2]" 1
760 1 45 ILE H 1 45 ILE MD . . 4.180 3.449 3.095 3.869 . 0 0 "[ . 1 . 2]" 1
761 1 45 ILE MD 1 46 ARG H . . 4.290 3.465 3.234 3.567 . 0 0 "[ . 1 . 2]" 1
762 1 46 ARG HA 1 47 VAL MG1 . . 4.480 3.678 3.438 3.913 . 0 0 "[ . 1 . 2]" 1
763 1 46 ARG HA 1 47 VAL MG2 . . 4.980 3.874 3.710 4.030 . 0 0 "[ . 1 . 2]" 1
764 1 46 ARG HG2 1 47 VAL H . . 4.620 4.538 4.401 4.622 0.002 10 0 "[ . 1 . 2]" 1
765 1 46 ARG H 1 46 ARG HG2 . . 4.190 3.616 3.460 3.755 . 0 0 "[ . 1 . 2]" 1
766 1 46 ARG HA 1 46 ARG HG2 . . 3.650 2.473 2.393 2.543 . 0 0 "[ . 1 . 2]" 1
767 1 45 ILE HA 1 46 ARG HG2 . . 4.770 4.445 4.243 4.636 . 0 0 "[ . 1 . 2]" 1
768 1 46 ARG HA 1 46 ARG HD2 . . 4.030 2.948 2.226 3.996 . 0 0 "[ . 1 . 2]" 1
769 1 31 ILE HB 1 47 VAL HA . . 3.940 2.201 1.999 2.456 . 0 0 "[ . 1 . 2]" 1
770 1 31 ILE HA 1 47 VAL HA . . 5.210 4.576 4.413 4.719 . 0 0 "[ . 1 . 2]" 1
771 1 46 ARG HA 1 47 VAL HA . . 5.500 4.387 4.356 4.420 . 0 0 "[ . 1 . 2]" 1
772 1 47 VAL HA 1 48 GLY HA3 . . 5.500 4.490 4.431 4.552 . 0 0 "[ . 1 . 2]" 1
773 1 47 VAL HB 1 48 GLY H . . 4.160 2.567 2.249 2.993 . 0 0 "[ . 1 . 2]" 1
774 1 34 LEU HB3 1 47 VAL MG1 . . 3.840 3.234 2.901 3.577 . 0 0 "[ . 1 . 2]" 1
775 1 32 CYS H 1 47 VAL MG1 . . 4.200 3.736 3.440 4.064 . 0 0 "[ . 1 . 2]" 1
776 1 47 VAL H 1 47 VAL MG2 . . 3.840 2.254 2.063 2.382 . 0 0 "[ . 1 . 2]" 1
777 1 47 VAL MG2 1 48 GLY HA3 . . 3.640 3.453 3.263 3.563 . 0 0 "[ . 1 . 2]" 1
778 1 47 VAL HA 1 47 VAL MG2 . . 3.590 3.197 3.187 3.203 . 0 0 "[ . 1 . 2]" 1
779 1 47 VAL MG2 1 48 GLY HA2 . . 4.330 4.127 3.827 4.316 . 0 0 "[ . 1 . 2]" 1
780 1 30 ILE MG 1 48 GLY HA3 . . 4.820 4.536 4.042 4.799 . 0 0 "[ . 1 . 2]" 1
781 1 49 HIS HB2 1 82 THR HB . . 3.980 2.906 2.576 3.271 . 0 0 "[ . 1 . 2]" 1
782 1 50 ARG H 1 50 ARG HB3 . . 4.130 2.475 2.331 3.584 . 0 0 "[ . 1 . 2]" 1
783 1 50 ARG HD2 1 51 ILE H . . 5.170 4.367 2.397 5.105 . 0 0 "[ . 1 . 2]" 1
784 1 50 ARG HD3 1 51 ILE H . . 5.170 4.139 2.628 5.136 . 0 0 "[ . 1 . 2]" 1
785 1 51 ILE HA 1 82 THR HA . . 3.910 2.674 2.460 2.858 . 0 0 "[ . 1 . 2]" 1
786 1 51 ILE HA 1 53 GLU H . . 4.400 3.624 3.493 3.824 . 0 0 "[ . 1 . 2]" 1
787 1 51 ILE HA 1 83 MET H . . 4.640 3.572 3.263 3.925 . 0 0 "[ . 1 . 2]" 1
788 1 51 ILE HA 1 52 ILE H . . 3.360 2.173 2.139 2.221 . 0 0 "[ . 1 . 2]" 1
789 1 51 ILE HB 1 59 VAL MG2 . . 4.590 2.897 2.363 3.785 . 0 0 "[ . 1 . 2]" 1
790 1 51 ILE HA 1 51 ILE HG12 . . 4.160 3.157 2.959 3.291 . 0 0 "[ . 1 . 2]" 1
791 1 51 ILE H 1 51 ILE HG12 . . 4.570 2.172 1.900 2.618 . 0 0 "[ . 1 . 2]" 1
792 1 51 ILE HA 1 51 ILE HG13 . . 4.160 3.759 3.579 3.893 . 0 0 "[ . 1 . 2]" 1
793 1 51 ILE H 1 51 ILE HG13 . . 4.570 3.646 3.429 4.005 . 0 0 "[ . 1 . 2]" 1
794 1 51 ILE MG 1 52 ILE H . . 3.850 2.351 2.064 3.098 . 0 0 "[ . 1 . 2]" 1
795 1 51 ILE H 1 51 ILE MG . . 4.220 3.786 3.754 3.813 . 0 0 "[ . 1 . 2]" 1
796 1 51 ILE H 1 51 ILE MD . . 4.170 3.188 2.819 3.567 . 0 0 "[ . 1 . 2]" 1
797 1 52 ILE HA 1 52 ILE HG12 . . 4.230 3.757 3.720 3.802 . 0 0 "[ . 1 . 2]" 1
798 1 52 ILE HA 1 60 VAL MG2 . . 4.150 3.823 3.201 4.116 . 0 0 "[ . 1 . 2]" 1
799 1 52 ILE HA 1 59 VAL H . . 4.900 3.908 3.569 4.030 . 0 0 "[ . 1 . 2]" 1
800 1 52 ILE HB 1 53 GLU H . . 4.600 4.003 3.831 4.141 . 0 0 "[ . 1 . 2]" 1
801 1 52 ILE H 1 52 ILE HG12 . . 4.250 2.218 2.074 2.350 . 0 0 "[ . 1 . 2]" 1
802 1 52 ILE HG12 1 82 THR HA . . 4.630 3.977 3.832 4.056 . 0 0 "[ . 1 . 2]" 1
803 1 52 ILE HG12 1 83 MET HB2 . . 4.140 2.913 2.438 3.181 . 0 0 "[ . 1 . 2]" 1
804 1 52 ILE HG12 1 81 LYS HB3 . . 4.130 3.258 2.987 3.532 . 0 0 "[ . 1 . 2]" 1
805 1 52 ILE H 1 52 ILE HG13 . . 4.040 2.750 2.561 2.900 . 0 0 "[ . 1 . 2]" 1
806 1 52 ILE HG13 1 82 THR HA . . 5.390 5.277 4.994 5.391 0.001 15 0 "[ . 1 . 2]" 1
807 1 52 ILE HG13 1 53 GLU HB2 . . 4.550 2.668 2.494 2.786 . 0 0 "[ . 1 . 2]" 1
808 1 52 ILE HG13 1 81 LYS HG2 . . 3.660 2.937 2.265 3.399 . 0 0 "[ . 1 . 2]" 1
809 1 52 ILE H 1 52 ILE MG . . 4.040 2.867 2.610 3.030 . 0 0 "[ . 1 . 2]" 1
810 1 52 ILE MG 1 83 MET H . . 4.430 3.942 3.416 4.153 . 0 0 "[ . 1 . 2]" 1
811 1 52 ILE MG 1 53 GLU H . . 4.760 4.088 4.040 4.178 . 0 0 "[ . 1 . 2]" 1
812 1 52 ILE MG 1 82 THR HA . . 4.780 4.640 4.446 4.779 . 0 0 "[ . 1 . 2]" 1
813 1 51 ILE HA 1 52 ILE MG . . 4.440 3.731 3.602 3.955 . 0 0 "[ . 1 . 2]" 1
814 1 52 ILE MG 1 88 TYR HB3 . . 5.040 4.431 3.974 5.045 0.005 18 0 "[ . 1 . 2]" 1
815 1 52 ILE HG12 1 52 ILE MG . . 3.270 2.347 2.242 2.397 . 0 0 "[ . 1 . 2]" 1
816 1 52 ILE H 1 52 ILE MD . . 3.930 3.830 3.721 3.904 . 0 0 "[ . 1 . 2]" 1
817 1 52 ILE MD 1 53 GLU H . . 4.370 4.149 3.895 4.371 0.001 19 0 "[ . 1 . 2]" 1
818 1 52 ILE MD 1 88 TYR QD . . 4.500 3.735 3.412 4.112 . 0 0 "[ . 1 . 2]" 1
819 1 52 ILE MD 1 82 THR HA . . 5.060 4.968 4.834 5.055 . 0 0 "[ . 1 . 2]" 1
820 1 52 ILE HA 1 52 ILE MD . . 4.320 4.161 4.148 4.176 . 0 0 "[ . 1 . 2]" 1
821 1 53 GLU HA 1 59 VAL MG1 . . 4.330 3.281 2.708 4.006 . 0 0 "[ . 1 . 2]" 1
822 1 53 GLU HB3 1 54 ILE H . . 4.750 3.588 3.383 3.879 . 0 0 "[ . 1 . 2]" 1
823 1 53 GLU HB2 1 54 ILE H . . 4.850 4.156 4.045 4.367 . 0 0 "[ . 1 . 2]" 1
824 1 52 ILE HG13 1 53 GLU HB3 . . 4.490 3.390 3.187 3.601 . 0 0 "[ . 1 . 2]" 1
825 1 52 ILE HG12 1 53 GLU HB2 . . 4.650 4.394 4.203 4.544 . 0 0 "[ . 1 . 2]" 1
826 1 53 GLU HB3 1 81 LYS HG2 . . 5.150 3.997 2.816 4.636 . 0 0 "[ . 1 . 2]" 1
827 1 53 GLU HB3 1 81 LYS HB2 . . 4.140 2.390 1.985 2.910 . 0 0 "[ . 1 . 2]" 1
828 1 53 GLU HB3 1 81 LYS HB3 . . 4.410 2.336 2.005 2.791 . 0 0 "[ . 1 . 2]" 1
829 1 53 GLU HB2 1 81 LYS HB2 . . 4.490 3.836 3.496 4.227 . 0 0 "[ . 1 . 2]" 1
830 1 53 GLU HB2 1 81 LYS HB3 . . 4.630 3.147 2.830 3.516 . 0 0 "[ . 1 . 2]" 1
831 1 53 GLU HG2 1 56 GLY HA3 . . 5.310 4.655 4.393 4.989 . 0 0 "[ . 1 . 2]" 1
832 1 52 ILE HG13 1 53 GLU HG3 . . 5.090 5.026 4.923 5.090 0.000 15 0 "[ . 1 . 2]" 1
833 1 54 ILE HA 1 81 LYS H . . 4.690 3.015 2.682 3.213 . 0 0 "[ . 1 . 2]" 1
834 1 54 ILE HA 1 54 ILE HG12 . . 4.240 4.227 4.220 4.236 . 0 0 "[ . 1 . 2]" 1
835 1 54 ILE H 1 54 ILE HG12 . . 4.690 3.816 3.529 3.934 . 0 0 "[ . 1 . 2]" 1
836 1 54 ILE HG13 1 59 VAL MG2 . . 4.440 3.447 2.720 4.084 . 0 0 "[ . 1 . 2]" 1
837 1 54 ILE MG 1 67 ILE HA . . 4.760 4.545 4.041 4.756 . 0 0 "[ . 1 . 2]" 1
838 1 54 ILE MG 1 71 LEU HA . . 4.910 4.797 4.671 4.878 . 0 0 "[ . 1 . 2]" 1
839 1 54 ILE MG 1 71 LEU H . . 4.780 4.744 4.646 4.794 0.014 18 0 "[ . 1 . 2]" 1
840 1 54 ILE H 1 54 ILE MG . . 4.480 2.882 2.702 2.962 . 0 0 "[ . 1 . 2]" 1
841 1 53 GLU H 1 54 ILE MG . . 4.720 3.420 3.238 3.593 . 0 0 "[ . 1 . 2]" 1
842 1 54 ILE H 1 54 ILE MD . . 4.140 3.661 3.452 3.801 . 0 0 "[ . 1 . 2]" 1
843 1 54 ILE MD 1 55 ASN HD22 . . 4.450 3.723 3.092 4.302 . 0 0 "[ . 1 . 2]" 1
844 1 54 ILE MD 1 55 ASN HD21 . . 4.450 3.192 1.827 4.422 . 0 0 "[ . 1 . 2]" 1
845 1 54 ILE MD 1 55 ASN HB3 . . 4.250 3.542 3.407 3.720 . 0 0 "[ . 1 . 2]" 1
846 1 54 ILE MD 1 55 ASN HB2 . . 4.250 2.055 1.952 2.373 . 0 0 "[ . 1 . 2]" 1
847 1 54 ILE MD 1 70 LEU HB2 . . 4.010 2.920 2.362 3.336 . 0 0 "[ . 1 . 2]" 1
848 1 54 ILE MD 1 70 LEU HB3 . . 4.010 1.949 1.838 2.129 . 0 0 "[ . 1 . 2]" 1
849 1 54 ILE MD 1 74 ALA MB . . 3.750 3.603 3.345 3.759 0.009 15 0 "[ . 1 . 2]" 1
850 1 54 ILE MD 1 55 ASN HA . . 4.650 4.023 3.872 4.161 . 0 0 "[ . 1 . 2]" 1
851 1 53 GLU HG3 1 56 GLY HA2 . . 4.680 4.341 4.083 4.641 . 0 0 "[ . 1 . 2]" 1
852 1 56 GLY HA3 1 57 GLN HA . . 4.720 4.584 4.516 4.621 . 0 0 "[ . 1 . 2]" 1
853 1 57 GLN HA 1 57 GLN HG3 . . 4.100 3.453 2.717 3.789 . 0 0 "[ . 1 . 2]" 1
854 1 57 GLN HB2 1 58 SER H . . 4.850 4.331 4.204 4.416 . 0 0 "[ . 1 . 2]" 1
855 1 57 GLN HB3 1 70 LEU MD1 . . 4.570 3.060 2.621 3.375 . 0 0 "[ . 1 . 2]" 1
856 1 34 LEU MD1 1 41 GLU HB2 . . 4.620 3.356 3.069 3.709 . 0 0 "[ . 1 . 2]" 1
857 1 57 GLN HB2 1 70 LEU MD1 . . 5.000 3.223 2.903 3.468 . 0 0 "[ . 1 . 2]" 1
858 1 57 GLN HG2 1 70 LEU MD1 . . 4.760 4.567 4.190 4.760 . 0 0 "[ . 1 . 2]" 1
859 1 57 GLN HG3 1 70 LEU MD1 . . 4.760 3.733 2.934 4.713 . 0 0 "[ . 1 . 2]" 1
860 1 57 GLN HA 1 57 GLN HG2 . . 4.100 2.659 2.247 3.029 . 0 0 "[ . 1 . 2]" 1
861 1 57 GLN HG3 1 58 SER H . . 5.500 5.275 4.788 5.500 0.000 3 0 "[ . 1 . 2]" 1
862 1 57 GLN HG2 1 58 SER H . . 5.500 4.600 4.017 5.076 . 0 0 "[ . 1 . 2]" 1
863 1 53 GLU HG3 1 58 SER HA . . 3.930 2.344 2.016 2.861 . 0 0 "[ . 1 . 2]" 1
864 1 58 SER HA 1 59 VAL MG1 . . 4.390 3.904 3.652 4.094 . 0 0 "[ . 1 . 2]" 1
865 1 58 SER HA 1 60 VAL H . . 4.470 3.428 3.277 3.699 . 0 0 "[ . 1 . 2]" 1
866 1 54 ILE H 1 58 SER HA . . 4.620 4.075 3.935 4.248 . 0 0 "[ . 1 . 2]" 1
867 1 58 SER HB3 1 59 VAL H . . 4.920 4.144 3.567 4.417 . 0 0 "[ . 1 . 2]" 1
868 1 58 SER HB2 1 59 VAL H . . 4.920 3.870 3.373 4.502 . 0 0 "[ . 1 . 2]" 1
869 1 59 VAL HB 1 67 ILE HG12 . . 4.260 2.218 2.012 2.435 . 0 0 "[ . 1 . 2]" 1
870 1 59 VAL HB 1 67 ILE HG13 . . 4.260 3.463 3.016 3.883 . 0 0 "[ . 1 . 2]" 1
871 1 59 VAL MG1 1 67 ILE HA . . 4.240 3.227 2.961 3.547 . 0 0 "[ . 1 . 2]" 1
872 1 59 VAL H 1 59 VAL MG1 . . 3.910 2.859 2.623 3.181 . 0 0 "[ . 1 . 2]" 1
873 1 57 GLN HB3 1 59 VAL MG1 . . 4.370 3.415 3.014 3.810 . 0 0 "[ . 1 . 2]" 1
874 1 59 VAL MG1 1 67 ILE HG12 . . 4.060 2.606 2.304 2.791 . 0 0 "[ . 1 . 2]" 1
875 1 59 VAL MG1 1 60 VAL MG1 . . 5.500 5.115 4.956 5.395 . 0 0 "[ . 1 . 2]" 1
876 1 51 ILE MG 1 59 VAL MG2 . . 2.730 1.975 1.777 2.235 . 0 0 "[ . 1 . 2]" 1
877 1 54 ILE MG 1 59 VAL MG2 . . 3.140 2.049 1.872 2.237 . 0 0 "[ . 1 . 2]" 1
878 1 52 ILE HB 1 59 VAL MG2 . . 5.000 4.522 4.047 4.968 . 0 0 "[ . 1 . 2]" 1
879 1 53 GLU HB2 1 59 VAL MG2 . . 5.370 4.370 4.089 4.803 . 0 0 "[ . 1 . 2]" 1
880 1 59 VAL MG2 1 60 VAL HA . . 4.320 3.486 3.235 3.787 . 0 0 "[ . 1 . 2]" 1
881 1 58 SER HA 1 59 VAL MG2 . . 3.990 3.771 3.561 3.978 . 0 0 "[ . 1 . 2]" 1
882 1 59 VAL MG2 1 60 VAL H . . 4.230 2.803 2.212 3.548 . 0 0 "[ . 1 . 2]" 1
883 1 53 GLU H 1 59 VAL MG2 . . 4.460 2.985 2.369 3.329 . 0 0 "[ . 1 . 2]" 1
884 1 54 ILE H 1 59 VAL MG2 . . 4.330 3.319 2.860 3.814 . 0 0 "[ . 1 . 2]" 1
885 1 52 ILE MG 1 60 VAL HA . . 4.240 3.604 2.895 4.195 . 0 0 "[ . 1 . 2]" 1
886 1 52 ILE HA 1 60 VAL HA . . 4.360 2.713 2.069 3.277 . 0 0 "[ . 1 . 2]" 1
887 1 52 ILE HA 1 60 VAL MG1 . . 4.400 4.017 3.692 4.304 . 0 0 "[ . 1 . 2]" 1
888 1 60 VAL MG1 1 61 ALA HA . . 4.690 4.010 3.702 4.198 . 0 0 "[ . 1 . 2]" 1
889 1 59 VAL HA 1 60 VAL MG1 . . 4.820 4.144 3.950 4.309 . 0 0 "[ . 1 . 2]" 1
890 1 59 VAL H 1 60 VAL MG1 . . 4.440 3.578 3.204 4.206 . 0 0 "[ . 1 . 2]" 1
891 1 60 VAL MG1 1 61 ALA H . . 4.630 2.186 1.896 2.355 . 0 0 "[ . 1 . 2]" 1
892 1 60 VAL MG1 1 61 ALA MB . . 4.140 2.843 2.649 3.048 . 0 0 "[ . 1 . 2]" 1
893 1 59 VAL H 1 60 VAL MG2 . . 5.500 5.405 5.263 5.490 . 0 0 "[ . 1 . 2]" 1
894 1 60 VAL MG2 1 88 TYR QE . . 3.580 1.982 1.810 2.271 . 0 0 "[ . 1 . 2]" 1
895 1 60 VAL MG2 1 61 ALA HA . . 4.440 3.601 3.375 3.970 . 0 0 "[ . 1 . 2]" 1
896 1 52 ILE MG 1 60 VAL MG2 . . 3.490 3.046 1.965 3.482 . 0 0 "[ . 1 . 2]" 1
897 1 52 ILE HB 1 60 VAL MG2 . . 4.640 4.011 2.837 4.533 . 0 0 "[ . 1 . 2]" 1
898 1 40 ALA MB 1 45 ILE HG12 . . 3.820 3.022 2.416 3.621 . 0 0 "[ . 1 . 2]" 1
899 1 62 THR HA 1 63 PRO HG2 . . 4.680 4.337 4.323 4.342 . 0 0 "[ . 1 . 2]" 1
900 1 62 THR HA 1 63 PRO HG3 . . 5.040 4.361 4.354 4.364 . 0 0 "[ . 1 . 2]" 1
901 1 59 VAL MG1 1 62 THR HA . . 5.500 5.216 4.630 5.438 . 0 0 "[ . 1 . 2]" 1
902 1 59 VAL MG2 1 62 THR HB . . 4.430 4.075 3.792 4.289 . 0 0 "[ . 1 . 2]" 1
903 1 62 THR HB 1 67 ILE HG13 . . 4.400 3.133 2.658 3.553 . 0 0 "[ . 1 . 2]" 1
904 1 59 VAL MG1 1 62 THR HB . . 3.780 2.772 2.098 2.990 . 0 0 "[ . 1 . 2]" 1
905 1 62 THR HB 1 67 ILE HG12 . . 4.400 3.145 2.831 3.637 . 0 0 "[ . 1 . 2]" 1
906 1 59 VAL HA 1 62 THR HB . . 3.900 2.170 1.997 2.695 . 0 0 "[ . 1 . 2]" 1
907 1 62 THR MG 1 67 ILE H . . 4.040 2.741 2.437 3.009 . 0 0 "[ . 1 . 2]" 1
908 1 62 THR H 1 62 THR MG . . 4.000 3.780 3.763 3.828 . 0 0 "[ . 1 . 2]" 1
909 1 59 VAL HA 1 62 THR MG . . 4.210 3.588 3.427 3.989 . 0 0 "[ . 1 . 2]" 1
910 1 59 VAL HB 1 62 THR MG . . 3.980 3.669 3.254 3.969 . 0 0 "[ . 1 . 2]" 1
911 1 59 VAL MG2 1 62 THR MG . . 4.940 4.721 4.401 4.940 . 0 0 "[ . 1 . 2]" 1
912 1 62 THR MG 1 67 ILE HG13 . . 4.020 2.388 2.080 2.619 . 0 0 "[ . 1 . 2]" 1
913 1 16 PRO HA 1 76 GLY H . . 4.460 3.757 3.154 4.249 . 0 0 "[ . 1 . 2]" 1
914 1 15 ARG HB2 1 16 PRO HD2 . . 5.090 4.787 4.666 4.852 . 0 0 "[ . 1 . 2]" 1
915 1 15 ARG HB3 1 16 PRO HD2 . . 4.750 4.089 3.820 4.298 . 0 0 "[ . 1 . 2]" 1
916 1 16 PRO HD2 1 17 HIS H . . 4.690 2.725 2.646 2.943 . 0 0 "[ . 1 . 2]" 1
917 1 16 PRO HD3 1 39 ILE MD . . 4.910 3.757 3.343 4.381 . 0 0 "[ . 1 . 2]" 1
918 1 14 HIS HB3 1 16 PRO HD3 . . 4.960 2.876 2.650 3.210 . 0 0 "[ . 1 . 2]" 1
919 1 16 PRO HD3 1 17 HIS H . . 4.900 3.882 3.836 3.998 . 0 0 "[ . 1 . 2]" 1
920 1 15 ARG HB3 1 16 PRO HD3 . . 5.140 4.936 4.818 4.999 . 0 0 "[ . 1 . 2]" 1
921 1 16 PRO HD3 1 39 ILE HG12 . . 5.500 5.442 5.129 5.505 0.005 4 0 "[ . 1 . 2]" 1
922 1 17 HIS HA 1 75 TYR QD . . 5.000 4.918 4.600 5.003 0.003 19 0 "[ . 1 . 2]" 1
923 1 17 HIS HA 1 18 ALA MB . . 4.590 3.963 3.882 3.997 . 0 0 "[ . 1 . 2]" 1
924 1 18 ALA HA 1 75 TYR HB3 . . 5.220 5.050 4.647 5.222 0.002 4 0 "[ . 1 . 2]" 1
925 1 18 ALA MB 1 19 ARG H . . 4.200 2.604 2.139 2.818 . 0 0 "[ . 1 . 2]" 1
926 1 18 ALA MB 1 75 TYR QD . . 3.990 2.431 2.226 2.882 . 0 0 "[ . 1 . 2]" 1
927 1 18 ALA MB 1 75 TYR HB3 . . 4.320 4.293 4.158 4.323 0.003 17 0 "[ . 1 . 2]" 1
928 1 23 GLY HA3 1 35 LEU HG . . 4.980 4.585 4.347 4.939 . 0 0 "[ . 1 . 2]" 1
929 1 66 ARG H 1 66 ARG HG2 . . 4.830 4.272 2.717 4.608 . 0 0 "[ . 1 . 2]" 1
930 1 66 ARG H 1 66 ARG HG3 . . 4.830 4.321 3.901 4.613 . 0 0 "[ . 1 . 2]" 1
931 1 66 ARG HD2 1 70 LEU MD2 . . 5.160 3.677 2.922 3.976 . 0 0 "[ . 1 . 2]" 1
932 1 66 ARG HD2 1 69 GLU HB3 . . 4.760 3.868 3.437 4.556 . 0 0 "[ . 1 . 2]" 1
933 1 66 ARG HD2 1 69 GLU HB2 . . 4.760 3.127 2.661 4.081 . 0 0 "[ . 1 . 2]" 1
934 1 66 ARG H 1 66 ARG HD2 . . 5.180 4.951 4.553 5.196 0.016 15 0 "[ . 1 . 2]" 1
935 1 66 ARG HD3 1 69 GLU HB2 . . 4.760 3.463 2.068 3.969 . 0 0 "[ . 1 . 2]" 1
936 1 66 ARG HD3 1 69 GLU HB3 . . 4.760 4.338 3.113 4.745 . 0 0 "[ . 1 . 2]" 1
937 1 66 ARG HD3 1 70 LEU MD2 . . 5.160 4.805 4.161 5.119 . 0 0 "[ . 1 . 2]" 1
938 1 66 ARG H 1 66 ARG HD3 . . 5.180 4.442 3.632 4.956 . 0 0 "[ . 1 . 2]" 1
939 1 67 ILE HA 1 70 LEU HB3 . . 4.430 4.355 4.222 4.437 0.007 18 0 "[ . 1 . 2]" 1
940 1 62 THR MG 1 67 ILE HA . . 4.450 3.305 2.930 3.619 . 0 0 "[ . 1 . 2]" 1
941 1 67 ILE HA 1 69 GLU H . . 5.000 4.591 4.224 4.982 . 0 0 "[ . 1 . 2]" 1
942 1 67 ILE HA 1 70 LEU H . . 4.340 3.654 3.381 4.246 . 0 0 "[ . 1 . 2]" 1
943 1 67 ILE HB 1 68 ILE H . . 3.890 2.658 2.389 2.903 . 0 0 "[ . 1 . 2]" 1
944 1 62 THR MG 1 67 ILE HG12 . . 4.020 3.113 2.742 3.582 . 0 0 "[ . 1 . 2]" 1
945 1 67 ILE H 1 67 ILE HG13 . . 4.170 2.062 1.906 2.373 . 0 0 "[ . 1 . 2]" 1
946 1 59 VAL MG2 1 67 ILE MG . . 3.880 3.328 2.827 3.836 . 0 0 "[ . 1 . 2]" 1
947 1 59 VAL HB 1 67 ILE MG . . 4.520 3.585 3.188 4.029 . 0 0 "[ . 1 . 2]" 1
948 1 29 GLY HA2 1 67 ILE MG . . 4.440 3.322 2.913 3.600 . 0 0 "[ . 1 . 2]" 1
949 1 67 ILE MG 1 68 ILE HA . . 4.060 3.378 3.167 3.562 . 0 0 "[ . 1 . 2]" 1
950 1 29 GLY HA3 1 67 ILE MG . . 4.630 4.404 4.109 4.634 0.004 15 0 "[ . 1 . 2]" 1
951 1 67 ILE MG 1 68 ILE H . . 4.230 3.379 3.148 3.521 . 0 0 "[ . 1 . 2]" 1
952 1 29 GLY H 1 67 ILE MG . . 4.790 4.607 4.112 4.784 . 0 0 "[ . 1 . 2]" 1
953 1 67 ILE H 1 67 ILE MD . . 3.900 3.436 3.124 3.562 . 0 0 "[ . 1 . 2]" 1
954 1 62 THR H 1 67 ILE MD . . 4.940 4.540 3.980 4.928 . 0 0 "[ . 1 . 2]" 1
955 1 64 HIS HD2 1 67 ILE MD . . 5.470 5.420 5.177 5.470 . 0 0 "[ . 1 . 2]" 1
956 1 29 GLY H 1 67 ILE MD . . 4.750 3.773 3.452 4.139 . 0 0 "[ . 1 . 2]" 1
957 1 59 VAL HA 1 67 ILE MD . . 4.730 4.380 3.862 4.685 . 0 0 "[ . 1 . 2]" 1
958 1 62 THR HB 1 67 ILE MD . . 3.880 3.337 3.030 3.644 . 0 0 "[ . 1 . 2]" 1
959 1 51 ILE HB 1 67 ILE MD . . 4.250 3.815 3.385 4.233 . 0 0 "[ . 1 . 2]" 1
960 1 62 THR MG 1 67 ILE MD . . 3.910 3.369 3.171 3.564 . 0 0 "[ . 1 . 2]" 1
961 1 68 ILE HA 1 71 LEU HB3 . . 4.820 4.514 4.306 4.734 . 0 0 "[ . 1 . 2]" 1
962 1 68 ILE HA 1 70 LEU H . . 5.220 4.403 4.095 4.952 . 0 0 "[ . 1 . 2]" 1
963 1 68 ILE HA 1 72 THR H . . 5.380 3.888 3.545 4.074 . 0 0 "[ . 1 . 2]" 1
964 1 68 ILE H 1 68 ILE HG12 . . 4.250 2.060 1.929 2.212 . 0 0 "[ . 1 . 2]" 1
965 1 68 ILE H 1 68 ILE HG13 . . 4.250 3.505 3.282 3.654 . 0 0 "[ . 1 . 2]" 1
966 1 68 ILE MG 1 69 GLU HA . . 4.170 3.539 3.394 3.744 . 0 0 "[ . 1 . 2]" 1
967 1 68 ILE MG 1 72 THR HB . . 4.670 3.923 3.496 4.178 . 0 0 "[ . 1 . 2]" 1
968 1 68 ILE MG 1 72 THR HG1 . . 4.560 2.815 2.160 3.439 . 0 0 "[ . 1 . 2]" 1
969 1 68 ILE MG 1 69 GLU H . . 3.890 3.457 3.275 3.635 . 0 0 "[ . 1 . 2]" 1
970 1 68 ILE MG 1 72 THR MG . . 4.310 4.162 3.823 4.293 . 0 0 "[ . 1 . 2]" 1
971 1 27 GLU HA 1 68 ILE MD . . 5.460 5.209 4.727 5.460 0.000 18 0 "[ . 1 . 2]" 1
972 1 26 VAL H 1 68 ILE MD . . 4.610 4.307 3.938 4.605 . 0 0 "[ . 1 . 2]" 1
973 1 69 GLU HA 1 72 THR MG . . 4.240 4.151 4.020 4.240 . 0 0 "[ . 1 . 2]" 1
974 1 69 GLU HA 1 72 THR HG1 . . 5.040 4.207 3.466 5.031 . 0 0 "[ . 1 . 2]" 1
975 1 69 GLU HA 1 72 THR H . . 4.640 4.017 3.864 4.203 . 0 0 "[ . 1 . 2]" 1
976 1 66 ARG HA 1 69 GLU HB2 . . 4.490 2.548 2.364 2.807 . 0 0 "[ . 1 . 2]" 1
977 1 69 GLU H 1 69 GLU HG2 . . 4.240 3.375 2.573 4.192 . 0 0 "[ . 1 . 2]" 1
978 1 69 GLU HA 1 69 GLU HG2 . . 3.890 2.660 2.172 3.634 . 0 0 "[ . 1 . 2]" 1
979 1 69 GLU H 1 69 GLU HG3 . . 4.240 3.469 2.766 4.099 . 0 0 "[ . 1 . 2]" 1
980 1 70 LEU HA 1 73 GLU H . . 4.480 3.483 3.283 3.781 . 0 0 "[ . 1 . 2]" 1
981 1 70 LEU HA 1 73 GLU HG2 . . 5.120 4.687 3.928 5.119 . 0 0 "[ . 1 . 2]" 1
982 1 70 LEU HA 1 73 GLU HG3 . . 5.120 3.794 3.285 4.206 . 0 0 "[ . 1 . 2]" 1
983 1 70 LEU HA 1 73 GLU HB3 . . 4.530 4.060 3.801 4.377 . 0 0 "[ . 1 . 2]" 1
984 1 70 LEU HA 1 70 LEU MD1 . . 3.870 3.835 3.793 3.884 0.014 18 0 "[ . 1 . 2]" 1
985 1 24 PHE QE 1 71 LEU MD1 . . 3.690 2.598 2.364 2.991 . 0 0 "[ . 1 . 2]" 1
986 1 68 ILE HA 1 71 LEU MD1 . . 3.770 3.315 3.095 3.440 . 0 0 "[ . 1 . 2]" 1
987 1 70 LEU HB2 1 70 LEU MD1 . . 3.440 2.228 2.106 2.408 . 0 0 "[ . 1 . 2]" 1
988 1 67 ILE HA 1 70 LEU MD1 . . 3.800 2.893 2.504 3.414 . 0 0 "[ . 1 . 2]" 1
989 1 71 LEU MD1 1 72 THR H . . 5.100 4.416 4.100 4.596 . 0 0 "[ . 1 . 2]" 1
990 1 31 ILE HB 1 47 VAL MG1 . . 4.310 3.748 3.513 4.134 . 0 0 "[ . 1 . 2]" 1
991 1 54 ILE MD 1 71 LEU HA . . 3.840 3.192 2.582 3.723 . 0 0 "[ . 1 . 2]" 1
992 1 54 ILE MD 1 71 LEU HB2 . . 5.370 4.687 4.012 5.369 . 0 0 "[ . 1 . 2]" 1
993 1 22 LEU MD1 1 71 LEU HB3 . . 3.780 3.175 2.874 3.518 . 0 0 "[ . 1 . 2]" 1
994 1 68 ILE MG 1 72 THR HA . . 5.500 5.185 4.868 5.374 . 0 0 "[ . 1 . 2]" 1
995 1 71 LEU MD2 1 72 THR HA . . 5.500 5.243 5.094 5.460 . 0 0 "[ . 1 . 2]" 1
996 1 71 LEU HB2 1 72 THR HA . . 4.820 4.623 4.546 4.702 . 0 0 "[ . 1 . 2]" 1
997 1 72 THR HA 1 74 ALA H . . 4.300 3.949 3.593 4.250 . 0 0 "[ . 1 . 2]" 1
998 1 71 LEU HB2 1 72 THR HB . . 5.260 5.048 4.877 5.192 . 0 0 "[ . 1 . 2]" 1
999 1 72 THR MG 1 73 GLU H . . 4.280 3.427 3.294 3.590 . 0 0 "[ . 1 . 2]" 1
1000 1 72 THR MG 1 74 ALA H . . 4.790 4.631 4.372 4.781 . 0 0 "[ . 1 . 2]" 1
1001 1 73 GLU HA 1 73 GLU HG2 . . 4.210 2.528 2.189 2.821 . 0 0 "[ . 1 . 2]" 1
1002 1 73 GLU HA 1 73 GLU HG3 . . 4.210 3.167 2.511 3.738 . 0 0 "[ . 1 . 2]" 1
1003 1 73 GLU H 1 73 GLU HB3 . . 3.880 3.537 3.498 3.583 . 0 0 "[ . 1 . 2]" 1
1004 1 70 LEU HA 1 73 GLU HB2 . . 4.530 2.513 2.279 2.791 . 0 0 "[ . 1 . 2]" 1
1005 1 74 ALA HA 1 78 VAL MG2 . . 4.470 4.018 3.709 4.458 . 0 0 "[ . 1 . 2]" 1
1006 1 74 ALA HA 1 75 TYR HB2 . . 4.990 4.882 4.617 4.993 0.003 8 0 "[ . 1 . 2]" 1
1007 1 55 ASN HD22 1 74 ALA MB . . 3.970 2.240 1.830 2.877 . 0 0 "[ . 1 . 2]" 1
1008 1 73 GLU H 1 74 ALA MB . . 4.840 4.281 4.121 4.406 . 0 0 "[ . 1 . 2]" 1
1009 1 75 TYR HA 1 78 VAL MG2 . . 3.840 3.380 2.950 3.728 . 0 0 "[ . 1 . 2]" 1
1010 1 15 ARG HB3 1 75 TYR HA . . 4.470 3.529 2.871 4.211 . 0 0 "[ . 1 . 2]" 1
1011 1 74 ALA MB 1 75 TYR HA . . 4.890 4.156 4.035 4.238 . 0 0 "[ . 1 . 2]" 1
1012 1 15 ARG HB2 1 75 TYR HA . . 3.930 2.850 2.283 3.329 . 0 0 "[ . 1 . 2]" 1
1013 1 75 TYR HA 1 75 TYR QD . . 4.060 3.075 2.770 3.309 . 0 0 "[ . 1 . 2]" 1
1014 1 77 GLU HA 1 78 VAL MG2 . . 4.470 3.797 3.433 4.141 . 0 0 "[ . 1 . 2]" 1
1015 1 15 ARG H 1 77 GLU HA . . 4.380 4.121 3.848 4.346 . 0 0 "[ . 1 . 2]" 1
1016 1 12 ILE MG 1 77 GLU HB2 . . 4.610 4.285 3.739 4.560 . 0 0 "[ . 1 . 2]" 1
1017 1 77 GLU HB2 1 78 VAL H . . 4.850 4.473 4.123 4.640 . 0 0 "[ . 1 . 2]" 1
1018 1 12 ILE MG 1 77 GLU HB3 . . 4.610 4.260 2.961 4.554 . 0 0 "[ . 1 . 2]" 1
1019 1 77 GLU HB3 1 78 VAL H . . 4.850 4.144 3.736 4.358 . 0 0 "[ . 1 . 2]" 1
1020 1 77 GLU H 1 77 GLU HG2 . . 4.860 4.540 4.195 4.647 . 0 0 "[ . 1 . 2]" 1
1021 1 77 GLU H 1 77 GLU HG3 . . 4.860 4.326 3.823 4.636 . 0 0 "[ . 1 . 2]" 1
1022 1 13 ILE H 1 78 VAL HB . . 4.340 2.938 2.622 3.354 . 0 0 "[ . 1 . 2]" 1
1023 1 13 ILE HG12 1 78 VAL HB . . 4.160 3.755 3.326 4.162 0.002 18 0 "[ . 1 . 2]" 1
1024 1 74 ALA MB 1 78 VAL HB . . 4.610 4.355 4.007 4.586 . 0 0 "[ . 1 . 2]" 1
1025 1 55 ASN HD21 1 78 VAL MG1 . . 4.310 3.201 2.753 3.747 . 0 0 "[ . 1 . 2]" 1
1026 1 55 ASN HD22 1 78 VAL MG1 . . 4.310 1.975 1.853 2.458 . 0 0 "[ . 1 . 2]" 1
1027 1 13 ILE H 1 78 VAL MG1 . . 4.600 3.819 3.355 4.086 . 0 0 "[ . 1 . 2]" 1
1028 1 78 VAL H 1 78 VAL MG1 . . 4.310 3.834 3.752 3.910 . 0 0 "[ . 1 . 2]" 1
1029 1 15 ARG H 1 78 VAL MG2 . . 3.930 3.359 2.820 3.863 . 0 0 "[ . 1 . 2]" 1
1030 1 75 TYR H 1 78 VAL MG2 . . 4.400 3.942 3.520 4.332 . 0 0 "[ . 1 . 2]" 1
1031 1 15 ARG HD2 1 78 VAL MG2 . . 4.430 2.901 1.917 4.162 . 0 0 "[ . 1 . 2]" 1
1032 1 15 ARG HB2 1 78 VAL MG2 . . 3.920 2.822 2.135 3.488 . 0 0 "[ . 1 . 2]" 1
1033 1 13 ILE HB 1 78 VAL MG2 . . 4.750 3.295 2.975 3.681 . 0 0 "[ . 1 . 2]" 1
1034 1 78 VAL MG1 1 79 HIS HA . . 4.560 4.020 3.615 4.390 . 0 0 "[ . 1 . 2]" 1
1035 1 12 ILE MG 1 79 HIS HA . . 4.620 3.364 2.861 3.747 . 0 0 "[ . 1 . 2]" 1
1036 1 55 ASN HA 1 79 HIS HB2 . . 4.370 2.532 2.064 2.910 . 0 0 "[ . 1 . 2]" 1
1037 1 55 ASN HA 1 79 HIS HB3 . . 4.370 4.066 3.409 4.372 0.002 11 0 "[ . 1 . 2]" 1
1038 1 80 ILE H 1 80 ILE HG13 . . 4.580 2.984 2.713 3.349 . 0 0 "[ . 1 . 2]" 1
1039 1 80 ILE H 1 80 ILE HG12 . . 4.580 4.187 3.937 4.464 . 0 0 "[ . 1 . 2]" 1
1040 1 45 ILE HA 1 80 ILE MG . . 4.890 4.856 4.749 4.892 0.002 18 0 "[ . 1 . 2]" 1
1041 1 51 ILE HA 1 80 ILE MG . . 4.280 4.075 3.844 4.277 . 0 0 "[ . 1 . 2]" 1
1042 1 54 ILE HA 1 80 ILE MG . . 4.290 4.008 3.759 4.289 . 0 0 "[ . 1 . 2]" 1
1043 1 80 ILE MG 1 81 LYS HA . . 4.620 3.783 3.622 3.915 . 0 0 "[ . 1 . 2]" 1
1044 1 13 ILE MG 1 24 PHE QE . . 4.270 3.083 2.751 3.420 . 0 0 "[ . 1 . 2]" 1
1045 1 53 GLU H 1 80 ILE MG . . 4.920 4.678 4.449 4.924 0.004 18 0 "[ . 1 . 2]" 1
1046 1 80 ILE H 1 80 ILE MG . . 4.360 3.781 3.706 3.849 . 0 0 "[ . 1 . 2]" 1
1047 1 80 ILE H 1 80 ILE MD . . 4.380 3.911 3.570 4.258 . 0 0 "[ . 1 . 2]" 1
1048 1 12 ILE HA 1 80 ILE MD . . 4.960 4.721 4.563 4.914 . 0 0 "[ . 1 . 2]" 1
1049 1 78 VAL HA 1 80 ILE MD . . 5.420 5.324 5.124 5.424 0.004 18 0 "[ . 1 . 2]" 1
1050 1 78 VAL HB 1 80 ILE MD . . 4.290 3.589 3.327 3.920 . 0 0 "[ . 1 . 2]" 1
1051 1 71 LEU HB2 1 80 ILE MD . . 5.500 5.421 5.267 5.502 0.002 18 0 "[ . 1 . 2]" 1
1052 1 71 LEU HG 1 80 ILE MD . . 5.500 4.519 4.290 4.830 . 0 0 "[ . 1 . 2]" 1
1053 1 80 ILE HB 1 80 ILE MD . . 3.340 2.299 2.111 2.389 . 0 0 "[ . 1 . 2]" 1
1054 1 81 LYS HA 1 81 LYS HG3 . . 3.900 2.273 2.184 2.360 . 0 0 "[ . 1 . 2]" 1
1055 1 81 LYS HA 1 82 THR H . . 3.460 2.157 2.144 2.163 . 0 0 "[ . 1 . 2]" 1
1056 1 52 ILE HG13 1 81 LYS HB3 . . 3.890 2.548 2.217 2.810 . 0 0 "[ . 1 . 2]" 1
1057 1 8 VAL MG1 1 81 LYS HB2 . . 4.530 4.244 4.072 4.445 . 0 0 "[ . 1 . 2]" 1
1058 1 8 VAL MG1 1 81 LYS HB3 . . 4.750 3.934 3.758 4.109 . 0 0 "[ . 1 . 2]" 1
1059 1 81 LYS HB2 1 82 THR H . . 4.920 4.535 4.502 4.576 . 0 0 "[ . 1 . 2]" 1
1060 1 53 GLU H 1 81 LYS HG2 . . 4.810 4.406 3.679 4.791 . 0 0 "[ . 1 . 2]" 1
1061 1 81 LYS H 1 81 LYS HG2 . . 4.970 4.620 4.569 4.696 . 0 0 "[ . 1 . 2]" 1
1062 1 81 LYS H 1 81 LYS HG3 . . 5.260 4.412 4.310 4.479 . 0 0 "[ . 1 . 2]" 1
1063 1 81 LYS HG2 1 82 THR H . . 5.140 3.961 3.764 4.709 . 0 0 "[ . 1 . 2]" 1
1064 1 81 LYS HG3 1 82 THR H . . 5.320 3.540 3.149 3.802 . 0 0 "[ . 1 . 2]" 1
1065 1 53 GLU HB2 1 81 LYS HG2 . . 5.500 4.320 3.124 5.059 . 0 0 "[ . 1 . 2]" 1
1066 1 10 THR MG 1 81 LYS HG3 . . 4.270 3.720 3.113 4.125 . 0 0 "[ . 1 . 2]" 1
1067 1 8 VAL MG1 1 81 LYS HG2 . . 4.180 2.049 1.840 2.426 . 0 0 "[ . 1 . 2]" 1
1068 1 8 VAL MG1 1 81 LYS HG3 . . 4.500 2.224 1.981 2.577 . 0 0 "[ . 1 . 2]" 1
1069 1 8 VAL MG1 1 81 LYS HD2 . . 4.340 3.602 3.339 4.120 . 0 0 "[ . 1 . 2]" 1
1070 1 8 VAL MG1 1 81 LYS HD3 . . 4.340 2.557 1.977 4.138 . 0 0 "[ . 1 . 2]" 1
1071 1 8 VAL HB 1 81 LYS HE2 . . 5.500 3.875 2.682 5.461 . 0 0 "[ . 1 . 2]" 1
1072 1 8 VAL HB 1 81 LYS HE3 . . 5.500 4.840 3.458 5.498 . 0 0 "[ . 1 . 2]" 1
1073 1 53 GLU HB3 1 81 LYS HE2 . . 5.500 4.948 3.748 5.502 0.002 8 0 "[ . 1 . 2]" 1
1074 1 53 GLU HB3 1 81 LYS HE3 . . 5.500 4.288 3.232 5.344 . 0 0 "[ . 1 . 2]" 1
1075 1 52 ILE H 1 82 THR HA . . 3.950 3.646 3.529 3.819 . 0 0 "[ . 1 . 2]" 1
1076 1 82 THR HA 1 82 THR MG . . 3.550 2.177 2.059 2.307 . 0 0 "[ . 1 . 2]" 1
1077 1 80 ILE MG 1 82 THR HA . . 3.780 3.762 3.718 3.786 0.006 18 0 "[ . 1 . 2]" 1
1078 1 83 MET HA 1 84 PRO HD3 . . 4.000 2.254 2.253 2.255 . 0 0 "[ . 1 . 2]" 1
1079 1 83 MET HB3 1 84 PRO HD3 . . 5.500 4.808 4.636 4.928 . 0 0 "[ . 1 . 2]" 1
1080 1 8 VAL HA 1 83 MET HB2 . . 4.470 4.331 4.041 4.468 . 0 0 "[ . 1 . 2]" 1
1081 1 8 VAL MG1 1 83 MET HB2 . . 4.280 2.681 2.097 3.134 . 0 0 "[ . 1 . 2]" 1
1082 1 52 ILE MD 1 83 MET HB3 . . 4.170 3.105 2.609 3.462 . 0 0 "[ . 1 . 2]" 1
1083 1 83 MET HG3 1 87 THR HB . . 4.610 3.760 2.996 4.482 . 0 0 "[ . 1 . 2]" 1
1084 1 83 MET HG2 1 88 TYR H . . 4.790 3.359 3.036 3.919 . 0 0 "[ . 1 . 2]" 1
1085 1 83 MET HG3 1 88 TYR H . . 4.790 3.943 2.949 4.791 0.001 7 0 "[ . 1 . 2]" 1
1086 1 83 MET H 1 83 MET HG2 . . 4.990 4.856 4.473 4.989 . 0 0 "[ . 1 . 2]" 1
1087 1 83 MET H 1 83 MET HG3 . . 4.990 4.582 4.421 4.857 . 0 0 "[ . 1 . 2]" 1
1088 1 83 MET HG3 1 88 TYR QD . . 5.130 4.433 3.725 4.994 . 0 0 "[ . 1 . 2]" 1
1089 1 83 MET HG2 1 88 TYR QD . . 5.130 3.296 2.358 4.187 . 0 0 "[ . 1 . 2]" 1
1090 1 8 VAL MG1 1 83 MET HG2 . . 5.440 4.413 3.972 4.998 . 0 0 "[ . 1 . 2]" 1
1091 1 8 VAL MG2 1 83 MET HG2 . . 5.500 4.318 3.891 4.782 . 0 0 "[ . 1 . 2]" 1
1092 1 8 VAL MG1 1 83 MET HG3 . . 5.440 3.913 2.870 5.105 . 0 0 "[ . 1 . 2]" 1
1093 1 8 VAL MG2 1 83 MET HG3 . . 5.500 4.051 2.732 5.295 . 0 0 "[ . 1 . 2]" 1
1094 1 83 MET HG3 1 87 THR MG . . 4.800 4.287 3.507 4.762 . 0 0 "[ . 1 . 2]" 1
1095 1 49 HIS HD2 1 84 PRO HA . . 4.350 4.190 3.969 4.344 . 0 0 "[ . 1 . 2]" 1
1096 1 84 PRO HA 1 85 ALA MB . . 4.590 3.965 3.914 4.012 . 0 0 "[ . 1 . 2]" 1
1097 1 84 PRO HB3 1 87 THR HB . . 5.500 5.031 4.856 5.384 . 0 0 "[ . 1 . 2]" 1
1098 1 84 PRO HB3 1 86 ALA MB . . 4.240 4.124 3.994 4.234 . 0 0 "[ . 1 . 2]" 1
1099 1 83 MET HB2 1 84 PRO HD2 . . 4.100 3.739 3.620 3.894 . 0 0 "[ . 1 . 2]" 1
1100 1 83 MET HB3 1 84 PRO HD2 . . 4.490 3.839 3.581 4.026 . 0 0 "[ . 1 . 2]" 1
1101 1 83 MET HB2 1 84 PRO HD3 . . 4.760 4.639 4.543 4.768 0.008 13 0 "[ . 1 . 2]" 1
1102 1 85 ALA HA 1 88 TYR H . . 4.290 4.100 3.853 4.289 . 0 0 "[ . 1 . 2]" 1
1103 1 85 ALA HA 1 88 TYR QD . . 4.690 4.167 3.820 4.627 . 0 0 "[ . 1 . 2]" 1
1104 1 85 ALA HA 1 88 TYR HB3 . . 4.040 3.029 2.771 3.306 . 0 0 "[ . 1 . 2]" 1
1105 1 50 ARG HB2 1 85 ALA HA . . 4.490 3.980 3.329 4.304 . 0 0 "[ . 1 . 2]" 1
1106 1 50 ARG HB3 1 85 ALA HA . . 4.490 3.397 2.857 4.493 0.003 18 0 "[ . 1 . 2]" 1
1107 1 30 ILE MD 1 85 ALA HA . . 5.110 5.003 4.612 5.119 0.009 18 0 "[ . 1 . 2]" 1
1108 1 85 ALA MB 1 86 ALA H . . 4.100 2.623 2.431 2.736 . 0 0 "[ . 1 . 2]" 1
1109 1 85 ALA MB 1 86 ALA HA . . 4.070 3.746 3.654 3.836 . 0 0 "[ . 1 . 2]" 1
1110 1 86 ALA HA 1 89 ARG H . . 4.610 4.214 4.058 4.434 . 0 0 "[ . 1 . 2]" 1
1111 1 87 THR HA 1 90 LEU HB3 . . 4.360 4.036 3.863 4.195 . 0 0 "[ . 1 . 2]" 1
1112 1 84 PRO HB2 1 87 THR HB . . 4.480 3.924 3.697 4.246 . 0 0 "[ . 1 . 2]" 1
1113 1 83 MET HG2 1 87 THR HB . . 4.610 3.730 3.155 4.508 . 0 0 "[ . 1 . 2]" 1
1114 1 84 PRO HD2 1 87 THR HB . . 4.300 3.380 3.252 3.560 . 0 0 "[ . 1 . 2]" 1
1115 1 87 THR MG 1 88 TYR H . . 4.590 3.164 2.881 3.430 . 0 0 "[ . 1 . 2]" 1
1116 1 87 THR H 1 87 THR MG . . 4.160 3.753 3.722 3.777 . 0 0 "[ . 1 . 2]" 1
1117 1 84 PRO HD2 1 87 THR MG . . 4.410 4.162 3.903 4.364 . 0 0 "[ . 1 . 2]" 1
1118 1 83 MET HG2 1 87 THR MG . . 4.800 4.255 3.696 4.801 0.001 12 0 "[ . 1 . 2]" 1
1119 1 87 THR MG 1 88 TYR HA . . 4.500 3.515 3.139 3.749 . 0 0 "[ . 1 . 2]" 1
1120 1 88 TYR HA 1 91 LEU H . . 4.510 3.409 3.195 3.627 . 0 0 "[ . 1 . 2]" 1
1121 1 52 ILE MG 1 88 TYR HB2 . . 5.040 3.781 3.431 4.124 . 0 0 "[ . 1 . 2]" 1
1122 1 88 TYR QD 1 89 ARG HA . . 4.600 4.197 3.404 4.554 . 0 0 "[ . 1 . 2]" 1
1123 1 89 ARG HA 1 92 THR H . . 4.770 3.545 3.370 3.825 . 0 0 "[ . 1 . 2]" 1
1124 1 89 ARG HA 1 91 LEU H . . 4.430 4.193 3.960 4.361 . 0 0 "[ . 1 . 2]" 1
1125 1 89 ARG HB2 1 90 LEU H . . 3.930 2.620 2.390 2.722 . 0 0 "[ . 1 . 2]" 1
1126 1 89 ARG H 1 89 ARG HG3 . . 4.620 3.088 2.224 3.765 . 0 0 "[ . 1 . 2]" 1
1127 1 86 ALA HA 1 89 ARG HG3 . . 4.790 4.106 3.528 4.542 . 0 0 "[ . 1 . 2]" 1
1128 1 89 ARG H 1 89 ARG HG2 . . 4.040 2.768 2.077 3.397 . 0 0 "[ . 1 . 2]" 1
1129 1 87 THR HA 1 90 LEU HB2 . . 4.360 2.551 2.405 2.713 . 0 0 "[ . 1 . 2]" 1
1130 1 90 LEU H 1 90 LEU HB2 . . 3.710 2.244 2.162 2.408 . 0 0 "[ . 1 . 2]" 1
1131 1 90 LEU HB2 1 91 LEU H . . 4.210 2.932 2.694 3.184 . 0 0 "[ . 1 . 2]" 1
1132 1 90 LEU HG 1 91 LEU H . . 5.060 4.770 4.556 4.917 . 0 0 "[ . 1 . 2]" 1
1133 1 83 MET ME 1 91 LEU HB2 . . 4.640 4.321 3.925 4.628 . 0 0 "[ . 1 . 2]" 1
1134 1 88 TYR QD 1 91 LEU MD1 . . 5.420 2.720 2.297 3.545 . 0 0 "[ . 1 . 2]" 1
1135 1 91 LEU H 1 91 LEU MD2 . . 4.190 3.664 3.476 3.864 . 0 0 "[ . 1 . 2]" 1
1136 1 91 LEU HB2 1 92 THR HA . . 4.740 4.344 4.178 4.504 . 0 0 "[ . 1 . 2]" 1
1137 1 91 LEU HB3 1 92 THR HA . . 5.090 4.466 4.248 4.683 . 0 0 "[ . 1 . 2]" 1
1138 1 92 THR HB 1 93 GLY H . . 4.720 4.339 3.778 4.584 . 0 0 "[ . 1 . 2]" 1
1139 1 92 THR H 1 92 THR MG . . 3.720 2.285 1.889 2.633 . 0 0 "[ . 1 . 2]" 1
1140 1 52 ILE H 1 82 THR MG . . 4.860 4.814 4.645 4.879 0.019 18 0 "[ . 1 . 2]" 1
1141 1 20 GLU H 1 20 GLU HB3 . . 3.850 3.629 2.799 3.747 . 0 0 "[ . 1 . 2]" 1
1142 1 20 GLU HB3 1 21 GLN H . . 4.660 3.168 2.888 4.061 . 0 0 "[ . 1 . 2]" 1
1143 1 20 GLU H 1 20 GLU HB2 . . 3.850 2.583 2.441 3.646 . 0 0 "[ . 1 . 2]" 1
1144 1 20 GLU HB2 1 21 GLN H . . 4.660 4.103 3.004 4.343 . 0 0 "[ . 1 . 2]" 1
1145 1 20 GLU HG2 1 21 GLN H . . 5.500 4.823 4.611 5.286 . 0 0 "[ . 1 . 2]" 1
1146 1 20 GLU HG3 1 21 GLN H . . 5.500 5.221 4.776 5.482 . 0 0 "[ . 1 . 2]" 1
1147 1 17 HIS HB3 1 20 GLU HG2 . . 5.500 2.218 1.999 2.459 . 0 0 "[ . 1 . 2]" 1
1148 1 17 HIS HB3 1 20 GLU HG3 . . 5.500 2.143 1.981 2.643 . 0 0 "[ . 1 . 2]" 1
1149 1 17 HIS HB2 1 20 GLU HG2 . . 5.500 3.552 3.392 3.930 . 0 0 "[ . 1 . 2]" 1
1150 1 17 HIS HB2 1 20 GLU HG3 . . 5.500 2.970 2.648 3.713 . 0 0 "[ . 1 . 2]" 1
1151 1 66 ARG HA 1 69 GLU HB3 . . 4.490 4.153 3.926 4.452 . 0 0 "[ . 1 . 2]" 1
1152 1 65 ALA MB 1 66 ARG HA . . 4.400 3.710 3.576 3.866 . 0 0 "[ . 1 . 2]" 1
1153 1 19 ARG H 1 19 ARG HG2 . . 4.850 3.320 1.896 4.242 . 0 0 "[ . 1 . 2]" 1
1154 1 19 ARG H 1 19 ARG HG3 . . 4.850 2.993 2.440 3.665 . 0 0 "[ . 1 . 2]" 1
1155 1 19 ARG HG2 1 20 GLU H . . 5.500 5.007 4.344 5.467 . 0 0 "[ . 1 . 2]" 1
1156 1 19 ARG HG3 1 20 GLU H . . 5.500 5.103 4.756 5.578 0.078 19 0 "[ . 1 . 2]" 1
1157 1 18 ALA MB 1 19 ARG HG2 . . 5.500 4.064 2.842 4.948 . 0 0 "[ . 1 . 2]" 1
1158 1 18 ALA MB 1 19 ARG HG3 . . 5.500 3.831 3.113 5.117 . 0 0 "[ . 1 . 2]" 1
1159 1 19 ARG HA 1 19 ARG HD2 . . 4.770 4.075 2.151 4.770 0.000 12 0 "[ . 1 . 2]" 1
1160 1 19 ARG HA 1 19 ARG HD3 . . 4.770 4.153 2.070 4.658 . 0 0 "[ . 1 . 2]" 1
1161 1 65 ALA HA 1 68 ILE MD . . 4.960 4.811 4.561 4.917 . 0 0 "[ . 1 . 2]" 1
1162 1 65 ALA HA 1 68 ILE MG . . 5.040 4.709 4.528 4.870 . 0 0 "[ . 1 . 2]" 1
1163 1 65 ALA HA 1 68 ILE HG13 . . 4.510 3.584 3.227 3.842 . 0 0 "[ . 1 . 2]" 1
1164 1 65 ALA HA 1 68 ILE HG12 . . 4.510 3.579 3.289 3.839 . 0 0 "[ . 1 . 2]" 1
1165 1 64 HIS HD2 1 65 ALA HA . . 4.400 2.603 2.087 3.201 . 0 0 "[ . 1 . 2]" 1
1166 1 65 ALA HA 1 68 ILE H . . 4.360 3.897 3.678 4.024 . 0 0 "[ . 1 . 2]" 1
1167 1 64 HIS HD2 1 65 ALA MB . . 4.350 3.835 3.413 4.245 . 0 0 "[ . 1 . 2]" 1
1168 1 65 ALA MB 1 68 ILE H . . 4.870 4.747 4.576 4.859 . 0 0 "[ . 1 . 2]" 1
1169 1 64 HIS HB3 1 65 ALA MB . . 4.610 4.070 3.944 4.179 . 0 0 "[ . 1 . 2]" 1
1170 1 63 PRO HB3 1 65 ALA MB . . 4.520 4.381 4.253 4.508 . 0 0 "[ . 1 . 2]" 1
1171 1 63 PRO HB2 1 65 ALA MB . . 4.130 2.881 2.703 3.059 . 0 0 "[ . 1 . 2]" 1
1172 1 84 PRO HB2 1 86 ALA MB . . 4.030 2.704 2.518 2.867 . 0 0 "[ . 1 . 2]" 1
1173 1 64 HIS HA 1 67 ILE MG . . 4.320 3.637 3.452 3.887 . 0 0 "[ . 1 . 2]" 1
1174 1 64 HIS HA 1 67 ILE H . . 4.500 3.441 3.097 3.783 . 0 0 "[ . 1 . 2]" 1
1175 1 28 ASP H 1 64 HIS HA . . 5.500 5.237 4.774 5.496 . 0 0 "[ . 1 . 2]" 1
1176 1 29 GLY H 1 64 HIS HA . . 4.800 4.290 3.776 4.673 . 0 0 "[ . 1 . 2]" 1
1177 1 62 THR MG 1 63 PRO HA . . 4.860 3.942 3.914 4.011 . 0 0 "[ . 1 . 2]" 1
1178 1 63 PRO HA 1 64 HIS HB2 . . 4.960 4.680 4.570 4.820 . 0 0 "[ . 1 . 2]" 1
1179 1 63 PRO HA 1 64 HIS HB3 . . 5.060 4.667 4.534 4.801 . 0 0 "[ . 1 . 2]" 1
1180 1 63 PRO HB3 1 66 ARG H . . 4.900 4.791 4.696 4.861 . 0 0 "[ . 1 . 2]" 1
1181 1 63 PRO HB3 1 64 HIS H . . 4.180 3.823 3.592 3.947 . 0 0 "[ . 1 . 2]" 1
1182 1 63 PRO HB3 1 65 ALA H . . 4.820 4.642 4.517 4.803 . 0 0 "[ . 1 . 2]" 1
1183 1 63 PRO HB2 1 66 ARG H . . 4.280 3.256 3.141 3.354 . 0 0 "[ . 1 . 2]" 1
1184 1 8 VAL HB 1 81 LYS HG2 . . 4.770 4.352 3.716 4.742 . 0 0 "[ . 1 . 2]" 1
1185 1 8 VAL HB 1 81 LYS HG3 . . 5.060 4.116 3.440 4.637 . 0 0 "[ . 1 . 2]" 1
1186 1 62 THR MG 1 63 PRO HG2 . . 4.370 2.946 2.920 2.998 . 0 0 "[ . 1 . 2]" 1
1187 1 13 ILE MG 1 15 ARG HB2 . . 4.950 4.346 3.950 4.856 . 0 0 "[ . 1 . 2]" 1
1188 1 15 ARG HB2 1 39 ILE MD . . 5.140 5.034 4.797 5.146 0.006 15 0 "[ . 1 . 2]" 1
1189 1 15 ARG HB3 1 78 VAL MG2 . . 4.850 4.058 3.524 4.813 . 0 0 "[ . 1 . 2]" 1
1190 1 15 ARG HB3 1 39 ILE MD . . 4.770 4.451 3.827 4.761 . 0 0 "[ . 1 . 2]" 1
1191 1 15 ARG HD2 1 22 LEU MD2 . . 4.310 2.516 1.868 4.136 . 0 0 "[ . 1 . 2]" 1
1192 1 13 ILE MG 1 15 ARG HD2 . . 4.770 3.358 1.980 4.662 . 0 0 "[ . 1 . 2]" 1
1193 1 15 ARG HB2 1 15 ARG HD2 . . 4.160 3.342 2.135 3.820 . 0 0 "[ . 1 . 2]" 1
1194 1 15 ARG HB2 1 15 ARG HD3 . . 4.160 2.684 2.079 3.707 . 0 0 "[ . 1 . 2]" 1
1195 1 15 ARG HD3 1 78 VAL MG2 . . 4.430 2.559 1.834 3.687 . 0 0 "[ . 1 . 2]" 1
1196 1 13 ILE MG 1 15 ARG HD3 . . 4.770 3.992 2.749 4.698 . 0 0 "[ . 1 . 2]" 1
1197 1 14 HIS HA 1 77 GLU HA . . 4.060 3.429 3.118 3.706 . 0 0 "[ . 1 . 2]" 1
1198 1 12 ILE MG 1 13 ILE HA . . 4.910 3.822 3.545 4.128 . 0 0 "[ . 1 . 2]" 1
1199 1 13 ILE HA 1 13 ILE HG13 . . 4.000 3.794 3.715 3.892 . 0 0 "[ . 1 . 2]" 1
1200 1 13 ILE HA 1 14 HIS HB2 . . 4.430 4.325 4.178 4.426 . 0 0 "[ . 1 . 2]" 1
1201 1 13 ILE HB 1 39 ILE MG . . 4.710 4.244 3.966 4.555 . 0 0 "[ . 1 . 2]" 1
1202 1 13 ILE HB 1 14 HIS H . . 4.240 3.799 3.407 4.163 . 0 0 "[ . 1 . 2]" 1
1203 1 13 ILE HB 1 78 VAL H . . 4.940 3.752 3.359 4.218 . 0 0 "[ . 1 . 2]" 1
1204 1 13 ILE HG13 1 78 VAL HB . . 4.050 3.922 3.729 4.051 0.001 4 0 "[ . 1 . 2]" 1
1205 1 13 ILE H 1 13 ILE HG12 . . 4.090 2.518 2.231 2.830 . 0 0 "[ . 1 . 2]" 1
1206 1 13 ILE HA 1 13 ILE HG12 . . 4.130 3.051 2.856 3.236 . 0 0 "[ . 1 . 2]" 1
1207 1 13 ILE HG12 1 40 ALA HA . . 4.740 4.553 4.279 4.732 . 0 0 "[ . 1 . 2]" 1
1208 1 13 ILE H 1 13 ILE MG . . 4.030 3.855 3.801 3.913 . 0 0 "[ . 1 . 2]" 1
1209 1 13 ILE MG 1 24 PHE QD . . 4.350 4.075 3.696 4.324 . 0 0 "[ . 1 . 2]" 1
1210 1 13 ILE HG13 1 13 ILE MG . . 3.040 2.412 2.270 2.501 . 0 0 "[ . 1 . 2]" 1
1211 1 13 ILE HA 1 13 ILE MD . . 4.130 2.179 1.978 2.386 . 0 0 "[ . 1 . 2]" 1
1212 1 13 ILE MD 1 24 PHE QE . . 3.990 3.565 3.013 3.972 . 0 0 "[ . 1 . 2]" 1
1213 1 13 ILE H 1 13 ILE MD . . 3.950 3.644 3.365 3.946 . 0 0 "[ . 1 . 2]" 1
1214 1 13 ILE HB 1 13 ILE MD . . 3.360 3.213 3.194 3.230 . 0 0 "[ . 1 . 2]" 1
1215 1 12 ILE HB 1 13 ILE H . . 4.530 4.058 3.751 4.305 . 0 0 "[ . 1 . 2]" 1
1216 1 12 ILE HA 1 12 ILE HG12 . . 4.060 2.920 2.619 3.272 . 0 0 "[ . 1 . 2]" 1
1217 1 12 ILE HA 1 12 ILE HG13 . . 4.060 3.347 2.716 3.864 . 0 0 "[ . 1 . 2]" 1
1218 1 12 ILE MG 1 78 VAL H . . 4.270 2.778 2.239 3.233 . 0 0 "[ . 1 . 2]" 1
1219 1 12 ILE MG 1 13 ILE H . . 3.670 2.411 1.910 2.920 . 0 0 "[ . 1 . 2]" 1
1220 1 12 ILE H 1 12 ILE MG . . 4.150 3.866 3.799 3.916 . 0 0 "[ . 1 . 2]" 1
1221 1 12 ILE MG 1 14 HIS HE1 . . 4.390 3.436 2.689 4.265 . 0 0 "[ . 1 . 2]" 1
1222 1 12 ILE MG 1 79 HIS HD2 . . 4.250 3.247 2.302 3.912 . 0 0 "[ . 1 . 2]" 1
1223 1 12 ILE MG 1 77 GLU HA . . 4.020 3.150 2.817 3.396 . 0 0 "[ . 1 . 2]" 1
1224 1 12 ILE MG 1 77 GLU HG2 . . 3.700 2.606 1.966 3.342 . 0 0 "[ . 1 . 2]" 1
1225 1 12 ILE MG 1 77 GLU HG3 . . 3.700 2.394 2.079 3.033 . 0 0 "[ . 1 . 2]" 1
1226 1 12 ILE HG12 1 12 ILE MG . . 3.670 2.749 2.088 3.198 . 0 0 "[ . 1 . 2]" 1
1227 1 12 ILE MG 1 78 VAL MG1 . . 4.890 4.705 4.235 4.891 0.001 19 0 "[ . 1 . 2]" 1
1228 1 12 ILE H 1 12 ILE MD . . 4.310 3.662 3.248 3.935 . 0 0 "[ . 1 . 2]" 1
1229 1 12 ILE MD 1 13 ILE H . . 5.250 4.393 3.648 5.215 . 0 0 "[ . 1 . 2]" 1
1230 1 12 ILE MD 1 79 HIS HA . . 4.430 3.132 1.999 4.429 . 0 0 "[ . 1 . 2]" 1
1231 1 12 ILE HA 1 12 ILE MD . . 4.030 2.977 2.041 3.906 . 0 0 "[ . 1 . 2]" 1
1232 1 11 ALA HA 1 12 ILE MD . . 4.740 4.332 3.661 4.705 . 0 0 "[ . 1 . 2]" 1
1233 1 11 ALA HA 1 12 ILE H . . 3.390 2.247 2.149 2.393 . 0 0 "[ . 1 . 2]" 1
1234 1 11 ALA MB 1 45 ILE H . . 4.200 3.641 3.279 4.087 . 0 0 "[ . 1 . 2]" 1
1235 1 11 ALA MB 1 45 ILE HA . . 3.950 3.147 2.836 3.552 . 0 0 "[ . 1 . 2]" 1
1236 1 9 THR HA 1 10 THR HB . . 4.780 4.695 4.576 4.794 0.014 18 0 "[ . 1 . 2]" 1
1237 1 10 THR HB 1 11 ALA H . . 4.540 3.998 3.667 4.205 . 0 0 "[ . 1 . 2]" 1
1238 1 10 THR MG 1 12 ILE HA . . 4.850 4.589 4.415 4.784 . 0 0 "[ . 1 . 2]" 1
1239 1 10 THR MG 1 79 HIS HA . . 4.460 3.971 3.572 4.263 . 0 0 "[ . 1 . 2]" 1
1240 1 10 THR MG 1 81 LYS HA . . 4.660 3.244 2.623 3.519 . 0 0 "[ . 1 . 2]" 1
1241 1 10 THR MG 1 80 ILE H . . 4.230 3.635 2.995 4.033 . 0 0 "[ . 1 . 2]" 1
1242 1 10 THR H 1 10 THR MG . . 4.380 3.851 3.787 3.896 . 0 0 "[ . 1 . 2]" 1
1243 1 60 VAL MG2 1 61 ALA H . . 4.600 3.558 3.256 3.872 . 0 0 "[ . 1 . 2]" 1
1244 1 10 THR MG 1 81 LYS HB2 . . 4.260 3.970 3.444 4.259 . 0 0 "[ . 1 . 2]" 1
1245 1 9 THR HB 1 82 THR H . . 4.470 3.976 3.636 4.390 . 0 0 "[ . 1 . 2]" 1
1246 1 9 THR MG 1 49 HIS HE1 . . 4.190 3.831 3.161 4.157 . 0 0 "[ . 1 . 2]" 1
1247 1 9 THR H 1 9 THR MG . . 4.170 3.796 3.778 3.846 . 0 0 "[ . 1 . 2]" 1
1248 1 9 THR MG 1 82 THR H . . 4.800 4.114 3.726 4.611 . 0 0 "[ . 1 . 2]" 1
1249 1 8 VAL HB 1 9 THR H . . 4.550 4.047 3.780 4.232 . 0 0 "[ . 1 . 2]" 1
1250 1 8 VAL HA 1 8 VAL MG1 . . 3.220 2.336 2.152 2.459 . 0 0 "[ . 1 . 2]" 1
1251 1 8 VAL HA 1 8 VAL MG2 . . 3.470 2.388 2.284 2.524 . 0 0 "[ . 1 . 2]" 1
1252 1 8 VAL MG1 1 9 THR HB . . 4.800 4.071 3.756 4.325 . 0 0 "[ . 1 . 2]" 1
1253 1 18 ALA HA 1 75 TYR QD . . 4.530 3.247 2.443 3.700 . 0 0 "[ . 1 . 2]" 1
1254 1 74 ALA HA 1 75 TYR QD . . 4.220 3.645 3.047 4.185 . 0 0 "[ . 1 . 2]" 1
1255 1 18 ALA MB 1 75 TYR QE . . 4.410 2.137 1.887 2.471 . 0 0 "[ . 1 . 2]" 1
1256 1 18 ALA HA 1 75 TYR QE . . 4.650 3.857 2.157 4.607 . 0 0 "[ . 1 . 2]" 1
1257 1 88 TYR QD 1 91 LEU MD2 . . 5.420 5.101 4.871 5.422 0.002 18 0 "[ . 1 . 2]" 1
1258 1 88 TYR QD 1 91 LEU HB2 . . 5.020 3.598 2.855 4.006 . 0 0 "[ . 1 . 2]" 1
1259 1 88 TYR QD 1 89 ARG HG2 . . 4.710 4.279 3.825 4.713 0.003 18 0 "[ . 1 . 2]" 1
1260 1 52 ILE MG 1 88 TYR QE . . 3.450 2.537 1.949 3.089 . 0 0 "[ . 1 . 2]" 1
1261 1 60 VAL MG1 1 88 TYR QE . . 4.190 3.871 3.451 4.182 . 0 0 "[ . 1 . 2]" 1
1262 1 88 TYR QE 1 91 LEU HB2 . . 5.170 4.778 4.292 5.137 . 0 0 "[ . 1 . 2]" 1
1263 1 60 VAL HA 1 88 TYR QE . . 4.410 4.279 3.927 4.412 0.002 6 0 "[ . 1 . 2]" 1
1264 1 88 TYR HA 1 88 TYR QE . . 4.800 4.255 4.163 4.457 . 0 0 "[ . 1 . 2]" 1
1265 1 24 PHE QD 1 31 ILE HA . . 4.900 4.380 3.909 4.608 . 0 0 "[ . 1 . 2]" 1
1266 1 22 LEU HB3 1 24 PHE QD . . 4.300 2.854 2.313 3.288 . 0 0 "[ . 1 . 2]" 1
1267 1 24 PHE QD 1 26 VAL MG2 . . 3.220 2.057 1.892 2.214 . 0 0 "[ . 1 . 2]" 1
1268 1 22 LEU HB2 1 24 PHE QE . . 4.320 3.977 3.121 4.323 0.003 3 0 "[ . 1 . 2]" 1
1269 1 24 PHE QE 1 40 ALA MB . . 4.550 3.668 3.448 3.991 . 0 0 "[ . 1 . 2]" 1
1270 1 24 PHE QE 1 31 ILE HG13 . . 5.500 5.036 4.273 5.461 . 0 0 "[ . 1 . 2]" 1
1271 1 13 ILE HG13 1 24 PHE QE . . 4.450 3.256 2.672 4.007 . 0 0 "[ . 1 . 2]" 1
1272 1 22 LEU HB3 1 24 PHE QE . . 4.620 2.540 2.124 2.852 . 0 0 "[ . 1 . 2]" 1
1273 1 22 LEU MD1 1 24 PHE QE . . 3.920 2.615 1.983 3.453 . 0 0 "[ . 1 . 2]" 1
1274 1 24 PHE QE 1 26 VAL MG2 . . 2.980 2.079 1.927 2.226 . 0 0 "[ . 1 . 2]" 1
1275 1 22 LEU MD1 1 24 PHE HZ . . 3.910 2.299 1.896 3.199 . 0 0 "[ . 1 . 2]" 1
1276 1 24 PHE HZ 1 71 LEU MD1 . . 3.440 2.851 2.479 3.293 . 0 0 "[ . 1 . 2]" 1
1277 1 17 HIS HD2 1 20 GLU HG2 . . 5.500 5.301 5.055 5.502 0.002 13 0 "[ . 1 . 2]" 1
1278 1 17 HIS HD2 1 20 GLU HG3 . . 5.500 5.393 5.161 5.536 0.036 14 0 "[ . 1 . 2]" 1
1279 1 79 HIS HA 1 79 HIS HD2 . . 4.580 3.315 2.789 3.844 . 0 0 "[ . 1 . 2]" 1
1280 1 78 VAL HA 1 79 HIS HD2 . . 4.770 3.607 2.829 4.219 . 0 0 "[ . 1 . 2]" 1
1281 1 46 ARG HB3 1 49 HIS HD2 . . 4.940 4.004 3.519 4.549 . 0 0 "[ . 1 . 2]" 1
1282 1 46 ARG HB2 1 49 HIS HD2 . . 4.940 4.651 4.187 4.922 . 0 0 "[ . 1 . 2]" 1
1283 1 49 HIS HE1 1 84 PRO HD3 . . 4.260 3.264 2.277 4.121 . 0 0 "[ . 1 . 2]" 1
1284 1 9 THR HB 1 49 HIS HE1 . . 4.340 3.772 3.337 4.271 . 0 0 "[ . 1 . 2]" 1
1285 1 17 HIS HE1 1 19 ARG HG2 . . 5.500 4.070 2.360 4.882 . 0 0 "[ . 1 . 2]" 1
1286 1 17 HIS HE1 1 19 ARG HG3 . . 5.500 3.184 2.003 4.396 . 0 0 "[ . 1 . 2]" 1
1287 1 17 HIS HE1 1 19 ARG HB3 . . 4.310 3.592 3.126 4.287 . 0 0 "[ . 1 . 2]" 1
1288 1 17 HIS HE1 1 19 ARG HB2 . . 4.310 2.184 1.996 2.938 . 0 0 "[ . 1 . 2]" 1
1289 1 27 GLU HA 1 64 HIS HE1 . . 3.940 3.021 2.271 3.772 . 0 0 "[ . 1 . 2]" 1
1290 1 26 VAL HB 1 64 HIS HE1 . . 4.090 3.302 2.363 4.036 . 0 0 "[ . 1 . 2]" 1
1291 1 26 VAL MG1 1 64 HIS HE1 . . 3.820 2.961 2.186 3.737 . 0 0 "[ . 1 . 2]" 1
1292 1 33 SER HB3 1 47 VAL MG1 . . 4.520 4.357 4.167 4.515 . 0 0 "[ . 1 . 2]" 1
1293 1 33 SER HB2 1 47 VAL MG1 . . 4.520 4.369 4.071 4.518 . 0 0 "[ . 1 . 2]" 1
1294 1 24 PHE QE 1 71 LEU HG . . 5.500 5.449 5.209 5.503 0.003 4 0 "[ . 1 . 2]" 1
1295 1 24 PHE HZ 1 71 LEU HG . . 5.500 5.326 5.032 5.500 . 0 0 "[ . 1 . 2]" 1
1296 1 8 VAL MG1 1 82 THR H . . 4.090 3.726 3.481 3.941 . 0 0 "[ . 1 . 2]" 1
1297 1 83 MET ME 1 84 PRO HD2 . . 4.400 3.531 2.855 3.875 . 0 0 "[ . 1 . 2]" 1
1298 1 8 VAL HA 1 83 MET ME . . 4.120 3.541 2.540 4.112 . 0 0 "[ . 1 . 2]" 1
1299 1 83 MET ME 1 88 TYR QD . . 3.930 2.723 1.942 3.930 0.000 14 0 "[ . 1 . 2]" 1
1300 1 24 PHE HA 1 35 LEU HA . . 5.500 5.471 5.382 5.502 0.002 4 0 "[ . 1 . 2]" 1
1301 1 24 PHE HA 1 34 LEU HB3 . . 4.930 4.867 4.777 4.930 . 0 0 "[ . 1 . 2]" 1
1302 1 31 ILE MD 1 47 VAL HA . . 5.060 3.342 3.045 3.655 . 0 0 "[ . 1 . 2]" 1
1303 1 89 ARG HA 1 89 ARG HG2 . . 3.160 2.479 2.246 2.754 . 0 0 "[ . 1 . 2]" 1
1304 1 83 MET ME 1 83 MET HG2 . . 3.490 2.414 1.995 3.087 . 0 0 "[ . 1 . 2]" 1
1305 1 49 HIS HB3 1 82 THR HB . . 3.980 2.133 2.016 2.494 . 0 0 "[ . 1 . 2]" 1
1306 1 89 ARG HA 1 92 THR MG . . 4.140 3.280 2.163 4.092 . 0 0 "[ . 1 . 2]" 1
1307 1 49 HIS HB3 1 82 THR MG . . 4.610 3.252 3.020 3.573 . 0 0 "[ . 1 . 2]" 1
1308 1 49 HIS HB2 1 82 THR MG . . 4.610 3.152 2.623 3.472 . 0 0 "[ . 1 . 2]" 1
1309 1 91 LEU H 1 92 THR MG . . 4.780 4.120 3.657 4.671 . 0 0 "[ . 1 . 2]" 1
1310 1 82 THR H 1 82 THR MG . . 4.240 2.843 2.554 3.071 . 0 0 "[ . 1 . 2]" 1
1311 1 90 LEU H 1 90 LEU MD1 . . 4.300 3.550 3.298 3.778 . 0 0 "[ . 1 . 2]" 1
1312 1 90 LEU H 1 90 LEU MD2 . . 4.340 3.909 3.588 4.189 . 0 0 "[ . 1 . 2]" 1
1313 1 17 HIS HB3 1 18 ALA H . . 4.750 3.550 3.313 3.744 . 0 0 "[ . 1 . 2]" 1
1314 1 7 GLY QA 1 8 VAL H . . 2.970 2.444 2.119 2.725 . 0 0 "[ . 1 . 2]" 1
1315 1 7 GLY QA 1 8 VAL HB . . 4.870 4.669 4.485 4.870 . 0 0 "[ . 1 . 2]" 1
1316 1 7 GLY QA 1 8 VAL MG2 . . 3.660 3.330 2.978 3.524 . 0 0 "[ . 1 . 2]" 1
1317 1 8 VAL MG1 1 81 LYS QD . . 3.530 2.470 1.963 3.391 . 0 0 "[ . 1 . 2]" 1
1318 1 8 VAL MG1 1 81 LYS QE . . 4.110 2.866 1.965 3.626 . 0 0 "[ . 1 . 2]" 1
1319 1 8 VAL MG1 1 83 MET QG . . 4.670 3.547 2.824 4.397 . 0 0 "[ . 1 . 2]" 1
1320 1 8 VAL MG2 1 83 MET QG . . 4.810 3.578 2.682 4.356 . 0 0 "[ . 1 . 2]" 1
1321 1 10 THR MG 1 12 ILE QG . . 4.220 3.250 2.868 3.623 . 0 0 "[ . 1 . 2]" 1
1322 1 10 THR MG 1 79 HIS QB . . 3.980 3.468 3.046 3.767 . 0 0 "[ . 1 . 2]" 1
1323 1 10 THR MG 1 81 LYS QE . . 3.550 3.227 2.744 3.568 0.018 18 0 "[ . 1 . 2]" 1
1324 1 11 ALA MB 1 44 GLY QA . . 4.030 2.552 2.016 3.173 . 0 0 "[ . 1 . 2]" 1
1325 1 12 ILE H 1 12 ILE QG . . 3.700 2.647 2.376 2.882 . 0 0 "[ . 1 . 2]" 1
1326 1 12 ILE HA 1 12 ILE QG . . 3.570 2.727 2.402 3.093 . 0 0 "[ . 1 . 2]" 1
1327 1 12 ILE QG 1 12 ILE MG . . 3.200 2.251 2.059 2.456 . 0 0 "[ . 1 . 2]" 1
1328 1 12 ILE MG 1 77 GLU QB . . 4.000 3.781 2.907 4.000 0.000 19 0 "[ . 1 . 2]" 1
1329 1 12 ILE MG 1 77 GLU QG . . 3.220 2.143 1.943 2.541 . 0 0 "[ . 1 . 2]" 1
1330 1 12 ILE QG 1 79 HIS HA . . 4.620 3.485 2.563 4.420 . 0 0 "[ . 1 . 2]" 1
1331 1 12 ILE QG 1 79 HIS HE1 . . 4.720 4.226 3.440 4.719 . 0 0 "[ . 1 . 2]" 1
1332 1 12 ILE MD 1 77 GLU QG . . 4.790 3.389 2.777 3.982 . 0 0 "[ . 1 . 2]" 1
1333 1 13 ILE MG 1 15 ARG QG . . 3.440 2.219 1.938 2.475 . 0 0 "[ . 1 . 2]" 1
1334 1 13 ILE HG13 1 15 ARG QD . . 5.340 4.863 3.750 5.342 0.002 7 0 "[ . 1 . 2]" 1
1335 1 14 HIS H 1 15 ARG QG . . 5.340 4.086 3.771 4.603 . 0 0 "[ . 1 . 2]" 1
1336 1 14 HIS HE1 1 77 GLU QG . . 4.050 3.738 2.944 4.051 0.001 5 0 "[ . 1 . 2]" 1
1337 1 15 ARG H 1 15 ARG QG . . 4.390 2.907 2.466 3.291 . 0 0 "[ . 1 . 2]" 1
1338 1 15 ARG H 1 76 GLY QA . . 4.550 2.953 2.404 3.393 . 0 0 "[ . 1 . 2]" 1
1339 1 15 ARG HB2 1 15 ARG QD . . 3.620 2.453 2.048 3.267 . 0 0 "[ . 1 . 2]" 1
1340 1 15 ARG HB2 1 76 GLY QA . . 5.230 3.841 3.213 4.336 . 0 0 "[ . 1 . 2]" 1
1341 1 15 ARG HB3 1 15 ARG QD . . 3.660 2.684 2.339 3.381 . 0 0 "[ . 1 . 2]" 1
1342 1 15 ARG QG 1 16 PRO HD2 . . 5.320 4.047 3.774 4.288 . 0 0 "[ . 1 . 2]" 1
1343 1 15 ARG QG 1 22 LEU MD2 . . 3.440 2.490 1.839 3.334 . 0 0 "[ . 1 . 2]" 1
1344 1 15 ARG QG 1 78 VAL MG1 . . 4.870 4.352 3.773 4.792 . 0 0 "[ . 1 . 2]" 1
1345 1 15 ARG QG 1 78 VAL MG2 . . 4.840 2.812 2.155 3.755 . 0 0 "[ . 1 . 2]" 1
1346 1 15 ARG QD 1 22 LEU MD2 . . 3.620 2.223 1.818 3.598 . 0 0 "[ . 1 . 2]" 1
1347 1 15 ARG QD 1 39 ILE MD . . 5.340 4.421 3.632 5.011 . 0 0 "[ . 1 . 2]" 1
1348 1 15 ARG QD 1 75 TYR HA . . 4.180 3.587 2.655 4.182 0.002 9 0 "[ . 1 . 2]" 1
1349 1 15 ARG QD 1 78 VAL MG2 . . 3.830 2.227 1.775 2.809 . 0 0 "[ . 1 . 2]" 1
1350 1 16 PRO HA 1 76 GLY QA . . 4.660 3.262 2.975 3.523 . 0 0 "[ . 1 . 2]" 1
1351 1 16 PRO QB 1 17 HIS HD2 . . 4.870 4.877 4.824 4.912 0.042 14 0 "[ . 1 . 2]" 1
1352 1 16 PRO QG 1 17 HIS H . . 4.440 2.646 2.250 3.155 . 0 0 "[ . 1 . 2]" 1
1353 1 16 PRO HD2 1 20 GLU QG . . 4.980 4.866 4.541 4.987 0.007 14 0 "[ . 1 . 2]" 1
1354 1 17 HIS QB 1 18 ALA H . . 4.050 3.371 3.175 3.529 . 0 0 "[ . 1 . 2]" 1
1355 1 17 HIS QB 1 18 ALA MB . . 4.870 4.703 4.588 4.795 . 0 0 "[ . 1 . 2]" 1
1356 1 17 HIS QB 1 20 GLU QG . . 4.150 1.900 1.789 2.124 . 0 0 "[ . 1 . 2]" 1
1357 1 17 HIS HE1 1 19 ARG QB . . 3.500 2.165 1.977 2.879 . 0 0 "[ . 1 . 2]" 1
1358 1 18 ALA MB 1 19 ARG QB . . 4.750 4.207 4.052 4.421 . 0 0 "[ . 1 . 2]" 1
1359 1 18 ALA MB 1 19 ARG QG . . 4.790 3.286 2.808 3.700 . 0 0 "[ . 1 . 2]" 1
1360 1 19 ARG H 1 19 ARG QG . . 4.070 2.563 1.883 3.009 . 0 0 "[ . 1 . 2]" 1
1361 1 19 ARG HA 1 19 ARG QG . . 3.410 2.434 2.170 2.923 . 0 0 "[ . 1 . 2]" 1
1362 1 19 ARG HA 1 19 ARG QD . . 4.100 3.558 2.042 4.110 0.010 10 0 "[ . 1 . 2]" 1
1363 1 19 ARG QB 1 19 ARG QD . . 3.280 2.251 2.045 2.676 . 0 0 "[ . 1 . 2]" 1
1364 1 19 ARG QB 1 20 GLU H . . 4.460 3.518 2.677 3.779 . 0 0 "[ . 1 . 2]" 1
1365 1 20 GLU H 1 20 GLU QB . . 3.370 2.496 2.406 2.714 . 0 0 "[ . 1 . 2]" 1
1366 1 20 GLU H 1 20 GLU QG . . 4.220 2.874 1.883 3.274 . 0 0 "[ . 1 . 2]" 1
1367 1 20 GLU HA 1 20 GLU QG . . 3.550 2.760 2.591 3.432 . 0 0 "[ . 1 . 2]" 1
1368 1 20 GLU QB 1 21 GLN H . . 3.970 3.031 2.834 3.222 . 0 0 "[ . 1 . 2]" 1
1369 1 20 GLU QG 1 39 ILE MD . . 5.130 4.730 4.240 5.124 . 0 0 "[ . 1 . 2]" 1
1370 1 21 GLN H 1 21 GLN QB . . 3.450 2.491 2.250 2.711 . 0 0 "[ . 1 . 2]" 1
1371 1 21 GLN HA 1 21 GLN QG . . 3.620 2.835 2.294 3.411 . 0 0 "[ . 1 . 2]" 1
1372 1 21 GLN QB 1 23 GLY H . . 4.090 3.137 2.920 3.599 . 0 0 "[ . 1 . 2]" 1
1373 1 22 LEU HB2 1 23 GLY QA . . 5.340 4.450 4.314 4.569 . 0 0 "[ . 1 . 2]" 1
1374 1 23 GLY QA 1 35 LEU QB . . 3.620 1.818 1.753 1.917 . 0 0 "[ . 1 . 2]" 1
1375 1 23 GLY QA 1 35 LEU HG . . 4.340 3.948 3.787 4.121 . 0 0 "[ . 1 . 2]" 1
1376 1 23 GLY QA 1 35 LEU MD1 . . 3.760 3.111 3.011 3.229 . 0 0 "[ . 1 . 2]" 1
1377 1 23 GLY QA 1 40 ALA MB . . 4.340 3.255 2.786 3.589 . 0 0 "[ . 1 . 2]" 1
1378 1 24 PHE H 1 35 LEU QB . . 4.660 4.134 4.017 4.252 . 0 0 "[ . 1 . 2]" 1
1379 1 24 PHE QD 1 45 ILE QG . . 4.840 3.344 2.703 3.798 . 0 0 "[ . 1 . 2]" 1
1380 1 24 PHE QE 1 80 ILE QG . . 5.340 4.836 4.382 5.205 . 0 0 "[ . 1 . 2]" 1
1381 1 24 PHE HZ 1 80 ILE QG . . 5.340 4.562 3.863 5.159 . 0 0 "[ . 1 . 2]" 1
1382 1 25 CYS H 1 25 CYS QB . . 3.380 2.358 2.260 2.494 . 0 0 "[ . 1 . 2]" 1
1383 1 25 CYS QB 1 26 VAL H . . 3.870 3.587 3.132 3.816 . 0 0 "[ . 1 . 2]" 1
1384 1 25 CYS QB 1 31 ILE MG . . 5.160 3.916 3.690 4.148 . 0 0 "[ . 1 . 2]" 1
1385 1 25 CYS QB 1 33 SER H . . 4.010 2.459 2.244 2.734 . 0 0 "[ . 1 . 2]" 1
1386 1 25 CYS QB 1 33 SER QB . . 4.090 2.780 2.241 3.958 . 0 0 "[ . 1 . 2]" 1
1387 1 26 VAL H 1 27 GLU QG . . 4.700 4.402 4.085 4.698 . 0 0 "[ . 1 . 2]" 1
1388 1 26 VAL MG1 1 68 ILE QG . . 5.340 4.624 4.357 4.846 . 0 0 "[ . 1 . 2]" 1
1389 1 27 GLU H 1 27 GLU QB . . 3.600 2.606 2.482 3.263 . 0 0 "[ . 1 . 2]" 1
1390 1 27 GLU H 1 27 GLU QG . . 4.330 3.125 2.295 3.611 . 0 0 "[ . 1 . 2]" 1
1391 1 27 GLU QB 1 28 ASP QB . . 4.820 3.369 3.248 3.467 . 0 0 "[ . 1 . 2]" 1
1392 1 28 ASP QB 1 30 ILE H . . 4.180 3.847 3.640 3.971 . 0 0 "[ . 1 . 2]" 1
1393 1 30 ILE H 1 30 ILE QG . . 3.800 2.980 2.726 3.233 . 0 0 "[ . 1 . 2]" 1
1394 1 30 ILE QG 1 50 ARG QG . . 4.020 2.305 1.759 3.519 . 0 0 "[ . 1 . 2]" 1
1395 1 30 ILE MD 1 50 ARG QB . . 3.800 2.699 1.951 3.743 . 0 0 "[ . 1 . 2]" 1
1396 1 30 ILE MD 1 50 ARG QD . . 4.530 3.237 2.081 4.272 . 0 0 "[ . 1 . 2]" 1
1397 1 31 ILE HA 1 32 CYS QB . . 4.610 3.994 3.948 4.245 . 0 0 "[ . 1 . 2]" 1
1398 1 31 ILE MG 1 32 CYS QB . . 5.340 3.996 3.900 4.127 . 0 0 "[ . 1 . 2]" 1
1399 1 31 ILE MD 1 49 HIS QB . . 3.680 3.215 2.809 3.542 . 0 0 "[ . 1 . 2]" 1
1400 1 31 ILE MD 1 51 ILE QG . . 3.860 3.264 2.799 3.614 . 0 0 "[ . 1 . 2]" 1
1401 1 32 CYS QB 1 33 SER H . . 4.090 2.298 2.031 2.543 . 0 0 "[ . 1 . 2]" 1
1402 1 32 CYS QB 1 33 SER QB . . 5.170 3.451 3.124 3.895 . 0 0 "[ . 1 . 2]" 1
1403 1 32 CYS QB 1 47 VAL HB . . 4.700 4.640 4.425 4.701 0.001 6 0 "[ . 1 . 2]" 1
1404 1 32 CYS QB 1 47 VAL MG1 . . 5.340 4.466 4.219 4.698 . 0 0 "[ . 1 . 2]" 1
1405 1 33 SER QB 1 34 LEU H . . 3.380 2.884 2.470 3.371 . 0 0 "[ . 1 . 2]" 1
1406 1 34 LEU MD1 1 41 GLU QG . . 3.880 3.548 3.208 3.852 . 0 0 "[ . 1 . 2]" 1
1407 1 34 LEU MD1 1 46 ARG QD . . 4.740 4.154 3.765 4.626 . 0 0 "[ . 1 . 2]" 1
1408 1 34 LEU MD2 1 36 ARG QB . . 5.340 4.660 4.119 5.339 . 0 0 "[ . 1 . 2]" 1
1409 1 34 LEU MD2 1 41 GLU QG . . 4.630 3.490 2.916 3.989 . 0 0 "[ . 1 . 2]" 1
1410 1 35 LEU HA 1 36 ARG QB . . 4.370 4.103 4.045 4.308 . 0 0 "[ . 1 . 2]" 1
1411 1 35 LEU QB 1 35 LEU MD2 . . 3.080 2.035 1.923 2.096 . 0 0 "[ . 1 . 2]" 1
1412 1 35 LEU QB 1 38 GLY H . . 4.560 4.322 2.911 4.560 0.000 15 0 "[ . 1 . 2]" 1
1413 1 35 LEU QB 1 38 GLY HA3 . . 4.760 3.295 2.673 3.492 . 0 0 "[ . 1 . 2]" 1
1414 1 36 ARG H 1 36 ARG QB . . 3.260 2.247 2.145 2.565 . 0 0 "[ . 1 . 2]" 1
1415 1 36 ARG H 1 36 ARG QG . . 4.050 3.814 2.070 4.043 . 0 0 "[ . 1 . 2]" 1
1416 1 36 ARG HA 1 36 ARG QD . . 4.730 3.729 2.354 4.338 . 0 0 "[ . 1 . 2]" 1
1417 1 36 ARG HA 1 37 GLY QA . . 4.580 3.919 3.891 3.996 . 0 0 "[ . 1 . 2]" 1
1418 1 36 ARG QB 1 36 ARG QD . . 3.320 2.242 2.045 2.620 . 0 0 "[ . 1 . 2]" 1
1419 1 36 ARG QG 1 37 GLY H . . 4.130 3.069 2.167 3.941 . 0 0 "[ . 1 . 2]" 1
1420 1 36 ARG QG 1 37 GLY QA . . 5.180 3.632 3.125 5.078 . 0 0 "[ . 1 . 2]" 1
1421 1 39 ILE HA 1 42 ARG QB . . 3.510 2.648 2.293 2.940 . 0 0 "[ . 1 . 2]" 1
1422 1 39 ILE HA 1 42 ARG QD . . 4.260 3.020 2.384 3.798 . 0 0 "[ . 1 . 2]" 1
1423 1 40 ALA MB 1 45 ILE QG . . 3.070 2.111 1.896 2.617 . 0 0 "[ . 1 . 2]" 1
1424 1 41 GLU H 1 41 GLU QG . . 4.190 3.930 3.816 4.059 . 0 0 "[ . 1 . 2]" 1
1425 1 42 ARG H 1 42 ARG QB . . 3.050 2.271 2.186 2.400 . 0 0 "[ . 1 . 2]" 1
1426 1 42 ARG H 1 42 ARG QG . . 3.510 2.647 2.334 3.477 . 0 0 "[ . 1 . 2]" 1
1427 1 42 ARG H 1 42 ARG QD . . 4.520 3.775 1.982 4.291 . 0 0 "[ . 1 . 2]" 1
1428 1 42 ARG HA 1 42 ARG QG . . 3.250 2.325 2.195 2.473 . 0 0 "[ . 1 . 2]" 1
1429 1 42 ARG HA 1 42 ARG QD . . 4.170 3.965 3.119 4.120 . 0 0 "[ . 1 . 2]" 1
1430 1 42 ARG QB 1 42 ARG QD . . 3.120 2.168 2.077 2.341 . 0 0 "[ . 1 . 2]" 1
1431 1 42 ARG QB 1 43 GLY H . . 3.920 2.667 2.377 3.005 . 0 0 "[ . 1 . 2]" 1
1432 1 45 ILE H 1 45 ILE QG . . 3.360 2.270 1.978 2.442 . 0 0 "[ . 1 . 2]" 1
1433 1 45 ILE QG 1 45 ILE MG . . 3.000 2.337 2.175 2.433 . 0 0 "[ . 1 . 2]" 1
1434 1 46 ARG HA 1 46 ARG QD . . 3.400 2.481 2.206 3.217 . 0 0 "[ . 1 . 2]" 1
1435 1 46 ARG QB 1 47 VAL H . . 3.740 3.405 3.198 3.541 . 0 0 "[ . 1 . 2]" 1
1436 1 46 ARG QB 1 49 HIS HD2 . . 4.350 3.777 3.391 4.179 . 0 0 "[ . 1 . 2]" 1
1437 1 46 ARG QD 1 47 VAL H . . 4.370 3.491 3.134 3.976 . 0 0 "[ . 1 . 2]" 1
1438 1 49 HIS H 1 49 HIS QB . . 3.390 2.262 2.185 2.470 . 0 0 "[ . 1 . 2]" 1
1439 1 49 HIS QB 1 50 ARG H . . 3.810 2.885 2.247 3.155 . 0 0 "[ . 1 . 2]" 1
1440 1 49 HIS QB 1 82 THR HA . . 4.810 3.602 3.394 3.797 . 0 0 "[ . 1 . 2]" 1
1441 1 49 HIS QB 1 82 THR MG . . 3.900 2.843 2.481 3.136 . 0 0 "[ . 1 . 2]" 1
1442 1 49 HIS QB 1 83 MET H . . 3.930 2.725 2.425 2.955 . 0 0 "[ . 1 . 2]" 1
1443 1 49 HIS QB 1 84 PRO HA . . 4.850 4.053 3.796 4.354 . 0 0 "[ . 1 . 2]" 1
1444 1 49 HIS HE1 1 84 PRO QG . . 4.980 4.231 3.302 4.973 . 0 0 "[ . 1 . 2]" 1
1445 1 50 ARG H 1 50 ARG QB . . 3.540 2.308 2.237 2.448 . 0 0 "[ . 1 . 2]" 1
1446 1 50 ARG H 1 50 ARG QG . . 4.560 3.956 3.420 4.176 . 0 0 "[ . 1 . 2]" 1
1447 1 50 ARG QB 1 50 ARG HE . . 4.930 3.212 2.241 4.376 . 0 0 "[ . 1 . 2]" 1
1448 1 50 ARG QB 1 85 ALA HA . . 3.750 3.181 2.752 3.356 . 0 0 "[ . 1 . 2]" 1
1449 1 50 ARG QG 1 51 ILE H . . 4.640 2.466 1.987 3.567 . 0 0 "[ . 1 . 2]" 1
1450 1 50 ARG QD 1 51 ILE H . . 4.410 3.709 2.379 4.355 . 0 0 "[ . 1 . 2]" 1
1451 1 51 ILE H 1 51 ILE QG . . 3.730 2.156 1.891 2.586 . 0 0 "[ . 1 . 2]" 1
1452 1 51 ILE QG 1 59 VAL MG2 . . 5.340 4.135 3.830 4.675 . 0 0 "[ . 1 . 2]" 1
1453 1 52 ILE MG 1 83 MET QG . . 3.950 3.341 2.650 3.904 . 0 0 "[ . 1 . 2]" 1
1454 1 52 ILE MG 1 88 TYR QB . . 4.300 3.578 3.250 3.948 . 0 0 "[ . 1 . 2]" 1
1455 1 52 ILE HG13 1 81 LYS QD . . 5.200 3.228 2.877 4.323 . 0 0 "[ . 1 . 2]" 1
1456 1 52 ILE MD 1 81 LYS QD . . 4.620 2.715 2.167 4.076 . 0 0 "[ . 1 . 2]" 1
1457 1 52 ILE MD 1 83 MET QG . . 4.390 3.327 2.904 3.688 . 0 0 "[ . 1 . 2]" 1
1458 1 53 GLU HA 1 81 LYS QD . . 5.340 5.090 4.525 5.375 0.035 18 0 "[ . 1 . 2]" 1
1459 1 53 GLU HB2 1 81 LYS QD . . 5.340 2.950 2.189 3.824 . 0 0 "[ . 1 . 2]" 1
1460 1 53 GLU HB2 1 81 LYS QE . . 5.340 4.760 4.075 5.282 . 0 0 "[ . 1 . 2]" 1
1461 1 53 GLU HB3 1 81 LYS QD . . 5.340 2.558 2.146 2.834 . 0 0 "[ . 1 . 2]" 1
1462 1 53 GLU HG3 1 58 SER QB . . 5.340 3.684 3.358 4.622 . 0 0 "[ . 1 . 2]" 1
1463 1 54 ILE MG 1 70 LEU QB . . 4.660 4.351 4.185 4.529 . 0 0 "[ . 1 . 2]" 1
1464 1 54 ILE MD 1 55 ASN QB . . 3.660 2.042 1.941 2.341 . 0 0 "[ . 1 . 2]" 1
1465 1 54 ILE MD 1 55 ASN QD . . 3.900 2.884 1.816 3.880 . 0 0 "[ . 1 . 2]" 1
1466 1 54 ILE MD 1 70 LEU QB . . 3.480 1.919 1.801 2.104 . 0 0 "[ . 1 . 2]" 1
1467 1 55 ASN H 1 79 HIS QB . . 4.540 3.125 2.594 3.499 . 0 0 "[ . 1 . 2]" 1
1468 1 55 ASN HA 1 79 HIS QB . . 3.720 2.506 2.053 2.866 . 0 0 "[ . 1 . 2]" 1
1469 1 55 ASN QB 1 55 ASN QD . . 3.050 2.295 2.063 2.633 . 0 0 "[ . 1 . 2]" 1
1470 1 55 ASN QB 1 56 GLY H . . 4.220 3.815 3.764 3.885 . 0 0 "[ . 1 . 2]" 1
1471 1 55 ASN QD 1 74 ALA MB . . 3.400 2.179 1.793 2.795 . 0 0 "[ . 1 . 2]" 1
1472 1 55 ASN QD 1 78 VAL HA . . 3.820 2.803 1.883 3.819 . 0 0 "[ . 1 . 2]" 1
1473 1 55 ASN QD 1 78 VAL MG1 . . 3.570 1.955 1.833 2.427 . 0 0 "[ . 1 . 2]" 1
1474 1 55 ASN QD 1 78 VAL MG2 . . 3.980 2.953 1.991 3.672 . 0 0 "[ . 1 . 2]" 1
1475 1 55 ASN QD 1 79 HIS H . . 4.540 3.131 1.773 4.539 . 0 0 "[ . 1 . 2]" 1
1476 1 57 GLN H 1 57 GLN QG . . 3.490 3.287 3.062 3.457 . 0 0 "[ . 1 . 2]" 1
1477 1 57 GLN QG 1 58 SER H . . 4.730 4.318 3.880 4.685 . 0 0 "[ . 1 . 2]" 1
1478 1 57 GLN QG 1 70 LEU MD1 . . 3.940 3.510 2.883 3.934 . 0 0 "[ . 1 . 2]" 1
1479 1 57 GLN QE 1 70 LEU MD1 . . 4.770 3.565 2.041 4.760 . 0 0 "[ . 1 . 2]" 1
1480 1 58 SER H 1 58 SER QB . . 3.310 2.445 2.204 2.569 . 0 0 "[ . 1 . 2]" 1
1481 1 58 SER QB 1 59 VAL H . . 4.270 3.467 3.257 3.898 . 0 0 "[ . 1 . 2]" 1
1482 1 58 SER QB 1 60 VAL H . . 4.800 3.452 3.143 4.261 . 0 0 "[ . 1 . 2]" 1
1483 1 59 VAL HB 1 67 ILE QG . . 3.620 2.191 1.984 2.411 . 0 0 "[ . 1 . 2]" 1
1484 1 59 VAL MG1 1 67 ILE QG . . 3.570 2.551 2.236 2.714 . 0 0 "[ . 1 . 2]" 1
1485 1 59 VAL MG1 1 70 LEU QB . . 4.250 3.774 3.503 4.108 . 0 0 "[ . 1 . 2]" 1
1486 1 59 VAL MG2 1 67 ILE QG . . 4.190 3.221 2.515 3.740 . 0 0 "[ . 1 . 2]" 1
1487 1 62 THR HA 1 63 PRO QD . . 2.770 1.974 1.965 1.977 . 0 0 "[ . 1 . 2]" 1
1488 1 62 THR HB 1 66 ARG QB . . 4.620 4.335 4.073 4.513 . 0 0 "[ . 1 . 2]" 1
1489 1 62 THR HB 1 67 ILE QG . . 3.820 2.777 2.501 3.030 . 0 0 "[ . 1 . 2]" 1
1490 1 62 THR MG 1 63 PRO QD . . 3.120 1.809 1.803 1.833 . 0 0 "[ . 1 . 2]" 1
1491 1 62 THR MG 1 66 ARG QB . . 3.060 1.920 1.781 2.043 . 0 0 "[ . 1 . 2]" 1
1492 1 62 THR MG 1 66 ARG QG . . 3.570 2.201 1.834 2.818 . 0 0 "[ . 1 . 2]" 1
1493 1 62 THR MG 1 66 ARG QD . . 4.390 3.711 3.210 4.301 . 0 0 "[ . 1 . 2]" 1
1494 1 63 PRO QD 1 66 ARG QB . . 3.680 2.717 2.511 3.000 . 0 0 "[ . 1 . 2]" 1
1495 1 64 HIS HA 1 67 ILE QG . . 4.720 3.081 2.619 3.375 . 0 0 "[ . 1 . 2]" 1
1496 1 66 ARG H 1 66 ARG QB . . 3.060 2.205 2.114 2.244 . 0 0 "[ . 1 . 2]" 1
1497 1 66 ARG H 1 66 ARG QG . . 4.140 3.777 2.671 4.027 . 0 0 "[ . 1 . 2]" 1
1498 1 66 ARG HA 1 66 ARG QG . . 3.740 2.922 2.504 3.144 . 0 0 "[ . 1 . 2]" 1
1499 1 66 ARG HA 1 66 ARG QD . . 3.100 2.230 2.004 2.416 . 0 0 "[ . 1 . 2]" 1
1500 1 66 ARG HA 1 69 GLU QB . . 3.740 2.526 2.346 2.778 . 0 0 "[ . 1 . 2]" 1
1501 1 66 ARG HA 1 69 GLU QG . . 4.710 3.644 3.354 4.098 . 0 0 "[ . 1 . 2]" 1
1502 1 66 ARG QB 1 66 ARG QD . . 3.140 2.296 2.184 2.518 . 0 0 "[ . 1 . 2]" 1
1503 1 66 ARG QB 1 67 ILE H . . 3.370 2.472 2.281 2.713 . 0 0 "[ . 1 . 2]" 1
1504 1 66 ARG QG 1 70 LEU MD1 . . 3.940 2.700 1.996 3.919 . 0 0 "[ . 1 . 2]" 1
1505 1 66 ARG QD 1 69 GLU QB . . 3.510 2.687 2.016 3.258 . 0 0 "[ . 1 . 2]" 1
1506 1 66 ARG QD 1 70 LEU MD2 . . 4.390 3.561 2.867 3.842 . 0 0 "[ . 1 . 2]" 1
1507 1 67 ILE H 1 67 ILE QG . . 3.400 2.046 1.891 2.349 . 0 0 "[ . 1 . 2]" 1
1508 1 67 ILE HA 1 67 ILE QG . . 3.160 2.392 2.326 2.439 . 0 0 "[ . 1 . 2]" 1
1509 1 67 ILE HA 1 70 LEU QB . . 3.810 2.769 2.619 3.009 . 0 0 "[ . 1 . 2]" 1
1510 1 68 ILE H 1 68 ILE QG . . 3.590 2.046 1.918 2.194 . 0 0 "[ . 1 . 2]" 1
1511 1 69 GLU H 1 69 GLU QB . . 3.020 2.194 2.161 2.277 . 0 0 "[ . 1 . 2]" 1
1512 1 69 GLU H 1 69 GLU QG . . 3.710 2.880 2.531 3.588 . 0 0 "[ . 1 . 2]" 1
1513 1 69 GLU QG 1 70 LEU H . . 4.700 4.377 4.185 4.580 . 0 0 "[ . 1 . 2]" 1
1514 1 70 LEU H 1 70 LEU QB . . 3.230 2.251 2.157 2.403 . 0 0 "[ . 1 . 2]" 1
1515 1 70 LEU HA 1 73 GLU QB . . 3.940 2.490 2.262 2.761 . 0 0 "[ . 1 . 2]" 1
1516 1 70 LEU HA 1 73 GLU QG . . 4.390 3.625 3.175 4.004 . 0 0 "[ . 1 . 2]" 1
1517 1 70 LEU QB 1 70 LEU MD2 . . 3.050 2.278 2.231 2.317 . 0 0 "[ . 1 . 2]" 1
1518 1 70 LEU QB 1 71 LEU H . . 4.310 2.161 2.034 2.252 . 0 0 "[ . 1 . 2]" 1
1519 1 72 THR H 1 73 GLU QB . . 4.850 4.527 4.347 4.797 . 0 0 "[ . 1 . 2]" 1
1520 1 72 THR H 1 73 GLU QG . . 5.250 4.844 4.521 5.010 . 0 0 "[ . 1 . 2]" 1
1521 1 72 THR HB 1 73 GLU QB . . 4.760 4.451 4.380 4.536 . 0 0 "[ . 1 . 2]" 1
1522 1 72 THR HB 1 73 GLU QG . . 4.320 3.653 3.302 3.829 . 0 0 "[ . 1 . 2]" 1
1523 1 72 THR MG 1 73 GLU QG . . 4.040 3.904 3.724 4.035 . 0 0 "[ . 1 . 2]" 1
1524 1 73 GLU H 1 73 GLU QB . . 3.330 2.246 2.172 2.396 . 0 0 "[ . 1 . 2]" 1
1525 1 73 GLU H 1 73 GLU QG . . 3.810 2.643 2.306 2.822 . 0 0 "[ . 1 . 2]" 1
1526 1 73 GLU HA 1 73 GLU QG . . 3.480 2.397 2.150 2.730 . 0 0 "[ . 1 . 2]" 1
1527 1 73 GLU QB 1 74 ALA H . . 3.590 2.927 2.714 3.188 . 0 0 "[ . 1 . 2]" 1
1528 1 73 GLU QB 1 74 ALA MB . . 4.570 3.875 3.692 4.009 . 0 0 "[ . 1 . 2]" 1
1529 1 73 GLU QG 1 74 ALA H . . 4.740 4.411 4.176 4.587 . 0 0 "[ . 1 . 2]" 1
1530 1 75 TYR HB2 1 76 GLY QA . . 4.720 3.917 3.796 4.207 . 0 0 "[ . 1 . 2]" 1
1531 1 75 TYR HB3 1 76 GLY QA . . 5.180 4.027 3.763 4.133 . 0 0 "[ . 1 . 2]" 1
1532 1 76 GLY QA 1 77 GLU H . . 2.970 2.117 2.109 2.143 . 0 0 "[ . 1 . 2]" 1
1533 1 77 GLU H 1 77 GLU QB . . 3.130 2.224 2.178 2.350 . 0 0 "[ . 1 . 2]" 1
1534 1 77 GLU H 1 77 GLU QG . . 4.210 3.936 3.545 4.044 . 0 0 "[ . 1 . 2]" 1
1535 1 77 GLU HA 1 77 GLU QG . . 3.730 2.296 2.173 2.518 . 0 0 "[ . 1 . 2]" 1
1536 1 77 GLU QB 1 78 VAL H . . 4.260 3.813 3.570 3.968 . 0 0 "[ . 1 . 2]" 1
1537 1 77 GLU QG 1 78 VAL H . . 4.720 3.174 2.588 3.961 . 0 0 "[ . 1 . 2]" 1
1538 1 77 GLU QG 1 79 HIS HD2 . . 4.120 2.553 2.009 4.092 . 0 0 "[ . 1 . 2]" 1
1539 1 78 VAL MG1 1 80 ILE QG . . 3.100 2.148 1.948 2.474 . 0 0 "[ . 1 . 2]" 1
1540 1 79 HIS H 1 79 HIS QB . . 3.350 2.335 2.192 2.512 . 0 0 "[ . 1 . 2]" 1
1541 1 79 HIS HA 1 80 ILE QG . . 4.730 3.987 3.790 4.305 . 0 0 "[ . 1 . 2]" 1
1542 1 80 ILE H 1 80 ILE QG . . 3.860 2.923 2.668 3.259 . 0 0 "[ . 1 . 2]" 1
1543 1 80 ILE QG 1 81 LYS H . . 4.930 4.098 3.923 4.233 . 0 0 "[ . 1 . 2]" 1
1544 1 81 LYS HB2 1 81 LYS QE . . 3.940 2.751 2.009 3.794 . 0 0 "[ . 1 . 2]" 1
1545 1 81 LYS QE 1 81 LYS HG3 . . 3.350 2.279 2.079 2.963 . 0 0 "[ . 1 . 2]" 1
1546 1 83 MET H 1 83 MET QG . . 4.280 4.182 4.099 4.239 . 0 0 "[ . 1 . 2]" 1
1547 1 83 MET QG 1 87 THR HB . . 4.050 3.172 2.892 3.419 . 0 0 "[ . 1 . 2]" 1
1548 1 83 MET QG 1 88 TYR HA . . 4.530 3.885 3.298 4.390 . 0 0 "[ . 1 . 2]" 1
1549 1 83 MET QG 1 88 TYR QB . . 3.780 2.525 1.982 2.945 . 0 0 "[ . 1 . 2]" 1
1550 1 83 MET QG 1 91 LEU QD . . 3.710 3.688 3.624 3.714 0.004 4 0 "[ . 1 . 2]" 1
1551 1 83 MET ME 1 91 LEU QD . . 2.630 1.920 1.730 2.108 . 0 0 "[ . 1 . 2]" 1
1552 1 84 PRO QG 1 87 THR HB . . 4.820 2.109 1.991 2.485 . 0 0 "[ . 1 . 2]" 1
1553 1 85 ALA HA 1 88 TYR QB . . 3.490 2.856 2.667 3.051 . 0 0 "[ . 1 . 2]" 1
1554 1 87 THR HA 1 90 LEU QB . . 3.690 2.525 2.384 2.679 . 0 0 "[ . 1 . 2]" 1
1555 1 87 THR HB 1 91 LEU QD . . 3.530 3.211 2.931 3.529 . 0 0 "[ . 1 . 2]" 1
1556 1 87 THR MG 1 91 LEU QD . . 3.490 1.891 1.786 2.080 . 0 0 "[ . 1 . 2]" 1
1557 1 88 TYR H 1 91 LEU QD . . 4.770 3.112 2.929 3.457 . 0 0 "[ . 1 . 2]" 1
1558 1 88 TYR HA 1 91 LEU QD . . 3.970 1.906 1.788 2.041 . 0 0 "[ . 1 . 2]" 1
1559 1 88 TYR QB 1 89 ARG H . . 3.570 2.101 1.951 2.278 . 0 0 "[ . 1 . 2]" 1
1560 1 88 TYR QB 1 91 LEU QD . . 5.040 3.504 3.325 3.733 . 0 0 "[ . 1 . 2]" 1
1561 1 88 TYR QD 1 91 LEU QD . . 3.880 2.705 2.293 3.498 . 0 0 "[ . 1 . 2]" 1
1562 1 88 TYR QE 1 91 LEU QD . . 4.560 3.950 3.622 4.359 . 0 0 "[ . 1 . 2]" 1
1563 1 89 ARG HA 1 89 ARG QD . . 4.930 3.028 2.122 4.015 . 0 0 "[ . 1 . 2]" 1
1564 1 89 ARG HB2 1 89 ARG QD . . 3.720 3.110 2.594 3.534 . 0 0 "[ . 1 . 2]" 1
1565 1 90 LEU H 1 90 LEU QB . . 3.010 2.219 2.142 2.372 . 0 0 "[ . 1 . 2]" 1
1566 1 90 LEU QB 1 90 LEU MD1 . . 3.060 2.057 1.977 2.098 . 0 0 "[ . 1 . 2]" 1
1567 1 90 LEU QB 1 90 LEU MD2 . . 2.930 2.184 2.020 2.293 . 0 0 "[ . 1 . 2]" 1
1568 1 90 LEU QB 1 91 LEU H . . 3.370 2.801 2.611 3.003 . 0 0 "[ . 1 . 2]" 1
1569 1 91 LEU H 1 91 LEU QD . . 3.620 3.078 2.973 3.268 . 0 0 "[ . 1 . 2]" 1
1570 1 91 LEU HA 1 91 LEU QD . . 3.450 2.413 2.044 2.597 . 0 0 "[ . 1 . 2]" 1
1571 1 91 LEU HB2 1 91 LEU QD . . 2.940 2.059 1.971 2.220 . 0 0 "[ . 1 . 2]" 1
1572 1 91 LEU HB3 1 91 LEU QD . . 3.000 2.027 1.963 2.114 . 0 0 "[ . 1 . 2]" 1
1573 1 94 GLN H 1 94 GLN QB . . 3.080 2.535 2.140 3.056 . 0 0 "[ . 1 . 2]" 1
1574 1 94 GLN H 1 94 GLN QG . . 3.840 2.679 1.932 3.859 0.019 12 0 "[ . 1 . 2]" 1
1575 1 94 GLN HA 1 94 GLN QG . . 3.680 2.957 2.292 3.487 . 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 4
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 50.441
_Distance_constraint_stats_list.Viol_max 0.525
_Distance_constraint_stats_list.Viol_rms 0.1233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0315
_Distance_constraint_stats_list.Viol_average_violations_only 0.5044
_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 19 ARG 2.522 0.525 14 2 "[ . -1 +. 2]"
1 20 GLU 2.522 0.525 14 2 "[ . -1 +. 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ALA 0.000 0.000 . 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 20 GLU H 1 20 GLU HA . . 3.000 2.932 2.872 2.948 . 0 0 "[ . 1 . 2]" 2
2 1 19 ARG HA 1 20 GLU H . . 3.000 3.082 2.935 3.525 0.525 14 2 "[ . -1 +. 2]" 2
3 1 22 LEU H 1 22 LEU HA . . 3.000 2.939 2.931 2.947 . 0 0 "[ . 1 . 2]" 2
4 1 61 ALA H 1 61 ALA HA . . 3.000 2.946 2.938 2.949 . 0 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 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 93 GLY 0.000 0.000 . 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 93 GLY H 1 93 GLY HA3 . . 2.500 2.347 2.295 2.457 . 0 0 "[ . 1 . 2]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 1228.298
_Distance_constraint_stats_list.Viol_max 0.271
_Distance_constraint_stats_list.Viol_rms 0.0714
_Distance_constraint_stats_list.Viol_average_all_restraints 0.1396
_Distance_constraint_stats_list.Viol_average_violations_only 0.1422
_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 13 ILE 5.761 0.261 6 0 "[ . 1 . 2]"
1 23 GLY 3.721 0.201 2 0 "[ . 1 . 2]"
1 25 CYS 14.182 0.252 14 0 "[ . 1 . 2]"
1 27 GLU 3.198 0.221 15 0 "[ . 1 . 2]"
1 30 ILE 3.198 0.221 15 0 "[ . 1 . 2]"
1 32 CYS 8.454 0.252 14 0 "[ . 1 . 2]"
1 33 SER 5.727 0.249 18 0 "[ . 1 . 2]"
1 35 LEU 3.721 0.201 2 0 "[ . 1 . 2]"
1 50 ARG 5.262 0.207 18 0 "[ . 1 . 2]"
1 54 ILE 6.266 0.263 15 0 "[ . 1 . 2]"
1 57 GLN 6.266 0.263 15 0 "[ . 1 . 2]"
1 78 VAL 5.761 0.261 6 0 "[ . 1 . 2]"
1 83 MET 5.262 0.207 18 0 "[ . 1 . 2]"
1 85 ALA 5.879 0.252 18 0 "[ . 1 . 2]"
1 86 ALA 7.841 0.271 7 0 "[ . 1 . 2]"
1 87 THR 2.833 0.196 10 0 "[ . 1 . 2]"
1 88 TYR 6.474 0.259 8 0 "[ . 1 . 2]"
1 89 ARG 5.879 0.252 18 0 "[ . 1 . 2]"
1 90 LEU 7.841 0.271 7 0 "[ . 1 . 2]"
1 91 LEU 2.833 0.196 10 0 "[ . 1 . 2]"
1 92 THR 6.474 0.259 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 88 TYR O 1 92 THR H . . 1.800 1.945 1.862 2.005 0.205 18 0 "[ . 1 . 2]" 4
2 1 88 TYR O 1 92 THR N . . 2.700 2.879 2.742 2.959 0.259 8 0 "[ . 1 . 2]" 4
3 1 87 THR O 1 91 LEU H . . 1.800 1.901 1.802 1.996 0.196 10 0 "[ . 1 . 2]" 4
4 1 87 THR O 1 91 LEU N . . 2.700 2.740 2.699 2.888 0.188 5 0 "[ . 1 . 2]" 4
5 1 86 ALA O 1 90 LEU H . . 1.800 1.981 1.896 2.007 0.207 4 0 "[ . 1 . 2]" 4
6 1 86 ALA O 1 90 LEU N . . 2.700 2.911 2.852 2.971 0.271 7 0 "[ . 1 . 2]" 4
7 1 85 ALA O 1 89 ARG H . . 1.800 1.936 1.832 2.000 0.200 18 0 "[ . 1 . 2]" 4
8 1 85 ALA O 1 89 ARG N . . 2.700 2.858 2.716 2.952 0.252 18 0 "[ . 1 . 2]" 4
9 1 25 CYS O 1 32 CYS H . . 1.800 1.990 1.919 2.002 0.202 15 0 "[ . 1 . 2]" 4
10 1 25 CYS O 1 32 CYS N . . 2.700 2.933 2.884 2.952 0.252 14 0 "[ . 1 . 2]" 4
11 1 25 CYS H 1 33 SER O . . 1.800 1.916 1.816 1.994 0.194 4 0 "[ . 1 . 2]" 4
12 1 25 CYS N 1 33 SER O . . 2.700 2.871 2.772 2.949 0.249 18 0 "[ . 1 . 2]" 4
13 1 23 GLY O 1 35 LEU H . . 1.800 1.976 1.924 2.001 0.201 2 0 "[ . 1 . 2]" 4
14 1 23 GLY O 1 35 LEU N . . 2.700 2.710 2.695 2.748 0.048 9 0 "[ . 1 . 2]" 4
15 1 50 ARG O 1 83 MET H . . 1.800 1.958 1.824 2.007 0.207 18 0 "[ . 1 . 2]" 4
16 1 50 ARG O 1 83 MET N . . 2.700 2.805 2.700 2.901 0.201 20 0 "[ . 1 . 2]" 4
17 1 27 GLU H 1 30 ILE O . . 1.800 1.863 1.803 1.974 0.174 15 0 "[ . 1 . 2]" 4
18 1 27 GLU N 1 30 ILE O . . 2.700 2.797 2.744 2.921 0.221 15 0 "[ . 1 . 2]" 4
19 1 54 ILE H 1 57 GLN O . . 1.800 1.953 1.846 2.000 0.200 6 0 "[ . 1 . 2]" 4
20 1 54 ILE N 1 57 GLN O . . 2.700 2.861 2.716 2.963 0.263 15 0 "[ . 1 . 2]" 4
21 1 13 ILE H 1 78 VAL O . . 1.900 2.024 1.908 2.102 0.202 12 0 "[ . 1 . 2]" 4
22 1 13 ILE N 1 78 VAL O . . 2.800 2.964 2.862 3.061 0.261 6 0 "[ . 1 . 2]" 4
stop_
save_
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