NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
601899 |
2mzc   |
25483 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mzc
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 1280
_Distance_constraint_stats_list.Viol_count 784
_Distance_constraint_stats_list.Viol_total 422.051
_Distance_constraint_stats_list.Viol_max 1.394
_Distance_constraint_stats_list.Viol_rms 0.0244
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0359
_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 4 SER 0.099 0.036 12 0 "[ . 1 .]"
1 5 MET 0.135 0.036 12 0 "[ . 1 .]"
1 6 VAL 0.253 0.065 8 0 "[ . 1 .]"
1 7 ASP 0.145 0.065 8 0 "[ . 1 .]"
1 8 VAL 0.267 0.032 15 0 "[ . 1 .]"
1 9 ILE 0.285 0.026 6 0 "[ . 1 .]"
1 10 ILE 0.309 0.032 10 0 "[ . 1 .]"
1 11 TYR 0.043 0.008 6 0 "[ . 1 .]"
1 12 THR 0.054 0.021 13 0 "[ . 1 .]"
1 13 ARG 3.261 1.033 1 3 "[+ *. - 1 .]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 16 CYS 4.506 1.033 1 3 "[+ *. - 1 .]"
1 17 PRO 5.909 1.394 12 4 "[* . - 1 +* .]"
1 18 TYR 6.029 1.394 12 4 "[* . - 1 +* .]"
1 19 CYS 0.447 0.073 13 0 "[ . 1 .]"
1 20 ALA 0.360 0.057 9 0 "[ . 1 .]"
1 21 ARG 0.306 0.113 11 0 "[ . 1 .]"
1 22 ALA 0.255 0.113 11 0 "[ . 1 .]"
1 23 LYS 0.078 0.014 14 0 "[ . 1 .]"
1 24 ALA 0.005 0.005 7 0 "[ . 1 .]"
1 25 LEU 0.355 0.055 7 0 "[ . 1 .]"
1 26 LEU 0.116 0.030 15 0 "[ . 1 .]"
1 27 ALA 0.000 0.000 10 0 "[ . 1 .]"
1 28 ARG 0.016 0.013 8 0 "[ . 1 .]"
1 29 LYS 0.564 0.055 7 0 "[ . 1 .]"
1 30 GLY 0.007 0.006 4 0 "[ . 1 .]"
1 31 ALA 0.172 0.022 7 0 "[ . 1 .]"
1 32 GLU 0.703 0.085 5 0 "[ . 1 .]"
1 33 PHE 0.164 0.012 15 0 "[ . 1 .]"
1 34 ASN 0.027 0.011 15 0 "[ . 1 .]"
1 35 GLU 0.019 0.015 12 0 "[ . 1 .]"
1 36 ILE 0.127 0.029 10 0 "[ . 1 .]"
1 37 ASP 0.026 0.017 11 0 "[ . 1 .]"
1 38 ALA 0.080 0.011 11 0 "[ . 1 .]"
1 39 SER 0.010 0.007 6 0 "[ . 1 .]"
1 40 ALA 0.114 0.027 4 0 "[ . 1 .]"
1 41 THR 0.116 0.060 6 0 "[ . 1 .]"
1 42 PRO 0.025 0.015 10 0 "[ . 1 .]"
1 43 GLU 0.012 0.009 11 0 "[ . 1 .]"
1 44 LEU 0.290 0.060 6 0 "[ . 1 .]"
1 45 ARG 0.059 0.026 6 0 "[ . 1 .]"
1 46 ALA 0.278 0.171 11 0 "[ . 1 .]"
1 47 GLU 0.107 0.030 8 0 "[ . 1 .]"
1 48 MET 0.001 0.001 3 0 "[ . 1 .]"
1 49 GLN 0.261 0.171 11 0 "[ . 1 .]"
1 50 GLU 0.110 0.030 8 0 "[ . 1 .]"
1 51 ARG 0.030 0.010 8 0 "[ . 1 .]"
1 52 SER 0.002 0.002 10 0 "[ . 1 .]"
1 54 ARG 0.068 0.051 10 0 "[ . 1 .]"
1 55 ASN 4.246 0.936 8 3 "[ -. + 1 * .]"
1 56 THR 4.199 0.936 8 3 "[ -. + 1 * .]"
1 57 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 58 PRO 0.303 0.032 10 0 "[ . 1 .]"
1 59 GLN 0.033 0.010 6 0 "[ . 1 .]"
1 60 ILE 0.221 0.036 2 0 "[ . 1 .]"
1 61 PHE 0.754 0.190 15 0 "[ . 1 .]"
1 62 ILE 1.193 0.190 15 0 "[ . 1 .]"
1 63 GLY 0.179 0.080 14 0 "[ . 1 .]"
1 64 SER 0.000 0.000 . 0 "[ . 1 .]"
1 65 VAL 0.099 0.021 15 0 "[ . 1 .]"
1 66 HIS 0.019 0.006 13 0 "[ . 1 .]"
1 67 VAL 1.169 0.156 14 0 "[ . 1 .]"
1 68 GLY 0.944 0.156 14 0 "[ . 1 .]"
1 69 GLY 0.052 0.014 10 0 "[ . 1 .]"
1 70 SER 0.086 0.021 2 0 "[ . 1 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 72 ASP 0.131 0.019 15 0 "[ . 1 .]"
1 73 LEU 0.285 0.034 15 0 "[ . 1 .]"
1 74 TYR 0.278 0.033 15 0 "[ . 1 .]"
1 75 ALA 0.116 0.037 15 0 "[ . 1 .]"
1 76 LEU 0.156 0.016 7 0 "[ . 1 .]"
1 77 GLU 0.521 0.240 7 0 "[ . 1 .]"
1 78 ASP 0.024 0.009 10 0 "[ . 1 .]"
1 79 GLU 0.235 0.079 15 0 "[ . 1 .]"
1 80 GLY 0.080 0.047 15 0 "[ . 1 .]"
1 81 LYS 0.209 0.079 15 0 "[ . 1 .]"
1 82 LEU 0.362 0.028 15 0 "[ . 1 .]"
1 83 ASP 0.400 0.181 13 0 "[ . 1 .]"
1 84 SER 0.062 0.017 15 0 "[ . 1 .]"
1 85 LEU 0.054 0.009 5 0 "[ . 1 .]"
1 86 LEU 0.396 0.030 15 0 "[ . 1 .]"
1 87 LYS 0.189 0.044 10 0 "[ . 1 .]"
1 88 THR 0.145 0.023 10 0 "[ . 1 .]"
1 89 GLY 0.104 0.020 15 0 "[ . 1 .]"
1 90 LYS 3.687 0.439 8 0 "[ . 1 .]"
1 91 LEU 0.799 0.123 3 0 "[ . 1 .]"
1 92 ILE 4.615 0.439 8 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 TYR QE 1 36 ILE MD . . 4.070 2.787 2.523 3.709 . 0 0 "[ . 1 .]" 1
2 1 11 TYR QD 1 36 ILE MD . . 4.410 2.932 2.544 4.172 . 0 0 "[ . 1 .]" 1
3 1 36 ILE H 1 36 ILE MD . . 4.490 4.020 3.492 4.201 . 0 0 "[ . 1 .]" 1
4 1 10 ILE MD 1 23 LYS H . . 4.290 4.046 3.375 4.297 0.007 14 0 "[ . 1 .]" 1
5 1 11 TYR QD 1 38 ALA MB . . 3.880 3.576 2.754 3.888 0.008 11 0 "[ . 1 .]" 1
6 1 11 TYR HB3 1 38 ALA MB . . 4.330 3.983 3.397 4.330 . 0 0 "[ . 1 .]" 1
7 1 38 ALA MB 1 45 ARG HA . . 4.050 3.835 3.284 4.057 0.007 6 0 "[ . 1 .]" 1
8 1 25 LEU HB2 1 25 LEU MD1 . . 3.630 2.178 1.960 2.447 . 0 0 "[ . 1 .]" 1
9 1 26 LEU MD1 1 33 PHE HB3 . . 4.280 2.130 1.915 2.684 . 0 0 "[ . 1 .]" 1
10 1 8 VAL HB 1 26 LEU MD1 . . 5.260 4.414 3.849 5.069 . 0 0 "[ . 1 .]" 1
11 1 73 LEU H 1 73 LEU MD1 . . 5.410 4.242 3.994 4.359 . 0 0 "[ . 1 .]" 1
12 1 73 LEU H 1 73 LEU MD2 . . 5.410 3.958 3.659 4.250 . 0 0 "[ . 1 .]" 1
13 1 22 ALA MB 1 73 LEU MD1 . . 4.280 3.539 2.993 4.285 0.005 4 0 "[ . 1 .]" 1
14 1 22 ALA MB 1 73 LEU MD2 . . 4.280 3.295 1.996 3.988 . 0 0 "[ . 1 .]" 1
15 1 29 LYS HE3 1 82 LEU MD1 . . 5.200 3.077 2.106 4.207 . 0 0 "[ . 1 .]" 1
16 1 77 GLU HA 1 82 LEU MD2 . . 4.610 2.096 1.957 2.595 . 0 0 "[ . 1 .]" 1
17 1 25 LEU H 1 25 LEU HG . . 4.680 4.435 4.259 4.519 . 0 0 "[ . 1 .]" 1
18 1 11 TYR QE 1 44 LEU MD1 . . 4.670 3.390 1.959 4.531 . 0 0 "[ . 1 .]" 1
19 1 25 LEU HG 1 74 TYR QE . . 5.410 5.000 4.103 5.412 0.002 7 0 "[ . 1 .]" 1
20 1 44 LEU HB3 1 44 LEU MD1 . . 3.420 2.571 2.329 3.190 . 0 0 "[ . 1 .]" 1
21 1 62 ILE H 1 62 ILE HG12 . . 5.190 2.855 2.042 3.828 . 0 0 "[ . 1 .]" 1
22 1 62 ILE H 1 62 ILE HG13 . . 5.190 2.500 2.003 3.964 . 0 0 "[ . 1 .]" 1
23 1 91 LEU HA 1 91 LEU MD1 . . 4.410 3.973 3.701 4.114 . 0 0 "[ . 1 .]" 1
24 1 91 LEU HA 1 91 LEU MD2 . . 4.410 3.699 3.442 4.034 . 0 0 "[ . 1 .]" 1
25 1 25 LEU MD2 1 74 TYR QE . . 5.080 4.090 2.762 5.036 . 0 0 "[ . 1 .]" 1
26 1 25 LEU HB2 1 25 LEU MD2 . . 3.630 2.711 2.209 3.106 . 0 0 "[ . 1 .]" 1
27 1 67 VAL MG1 1 73 LEU HB2 . . 4.610 3.306 2.801 4.410 . 0 0 "[ . 1 .]" 1
28 1 67 VAL MG1 1 72 ASP HB3 . . 5.350 3.108 2.024 4.546 . 0 0 "[ . 1 .]" 1
29 1 67 VAL MG1 1 73 LEU H . . 5.260 3.489 2.786 5.197 . 0 0 "[ . 1 .]" 1
30 1 26 LEU MD1 1 31 ALA MB . . 4.360 4.066 3.778 4.359 . 0 0 "[ . 1 .]" 1
31 1 8 VAL MG2 1 31 ALA MB . . 4.910 3.391 2.809 3.861 . 0 0 "[ . 1 .]" 1
32 1 31 ALA MB 1 33 PHE QD . . 4.170 3.536 3.208 3.690 . 0 0 "[ . 1 .]" 1
33 1 22 ALA MB 1 58 PRO HG3 . . 3.650 3.077 2.402 3.629 . 0 0 "[ . 1 .]" 1
34 1 19 CYS HA 1 22 ALA MB . . 3.860 3.623 3.107 3.861 0.001 14 0 "[ . 1 .]" 1
35 1 22 ALA MB 1 74 TYR QE . . 4.820 4.532 3.824 4.822 0.002 9 0 "[ . 1 .]" 1
36 1 38 ALA MB 1 44 LEU HB2 . . 4.230 3.837 3.185 4.221 . 0 0 "[ . 1 .]" 1
37 1 11 TYR HA 1 38 ALA MB . . 4.980 4.782 4.414 4.981 0.001 8 0 "[ . 1 .]" 1
38 1 38 ALA MB 1 44 LEU MD1 . . 4.740 3.973 3.403 4.748 0.008 10 0 "[ . 1 .]" 1
39 1 75 ALA MB 1 76 LEU HA . . 4.510 3.776 3.709 3.818 . 0 0 "[ . 1 .]" 1
40 1 75 ALA MB 1 76 LEU H . . 3.350 2.521 2.398 2.635 . 0 0 "[ . 1 .]" 1
41 1 45 ARG H 1 46 ALA MB . . 4.540 4.385 4.286 4.467 . 0 0 "[ . 1 .]" 1
42 1 24 ALA MB 1 27 ALA H . . 5.040 4.601 4.402 5.039 . 0 0 "[ . 1 .]" 1
43 1 9 ILE HB 1 9 ILE MD . . 3.150 2.185 2.077 2.266 . 0 0 "[ . 1 .]" 1
44 1 9 ILE MD 1 34 ASN HB3 . . 4.970 4.555 4.148 4.815 . 0 0 "[ . 1 .]" 1
45 1 9 ILE MD 1 61 PHE HB3 . . 4.170 2.643 1.956 2.966 . 0 0 "[ . 1 .]" 1
46 1 60 ILE HB 1 73 LEU HB2 . . 3.900 3.695 3.187 3.906 0.006 2 0 "[ . 1 .]" 1
47 1 91 LEU H 1 91 LEU HB3 . . 3.900 2.820 2.625 3.129 . 0 0 "[ . 1 .]" 1
48 1 91 LEU H 1 91 LEU HB2 . . 3.900 3.613 3.574 3.659 . 0 0 "[ . 1 .]" 1
49 1 25 LEU HB2 1 74 TYR QE . . 4.830 2.686 2.032 3.284 . 0 0 "[ . 1 .]" 1
50 1 25 LEU H 1 25 LEU HB2 . . 4.040 2.631 2.372 2.900 . 0 0 "[ . 1 .]" 1
51 1 25 LEU HB3 1 26 LEU H . . 4.280 2.467 2.275 2.587 . 0 0 "[ . 1 .]" 1
52 1 86 LEU HB3 1 87 LYS H . . 4.380 4.243 4.173 4.306 . 0 0 "[ . 1 .]" 1
53 1 86 LEU H 1 86 LEU HB3 . . 3.680 2.714 2.668 2.787 . 0 0 "[ . 1 .]" 1
54 1 8 VAL MG2 1 86 LEU HB3 . . 5.500 3.705 3.198 4.119 . 0 0 "[ . 1 .]" 1
55 1 72 ASP HB3 1 76 LEU MD1 . . 4.190 3.821 3.138 4.188 . 0 0 "[ . 1 .]" 1
56 1 71 ASP HB2 1 72 ASP H . . 5.470 3.534 2.546 3.931 . 0 0 "[ . 1 .]" 1
57 1 71 ASP HB3 1 72 ASP H . . 5.470 2.915 2.288 3.931 . 0 0 "[ . 1 .]" 1
58 1 9 ILE HG13 1 34 ASN HB3 . . 4.560 3.059 2.587 3.350 . 0 0 "[ . 1 .]" 1
59 1 10 ILE MG 1 34 ASN HB3 . . 5.500 4.711 4.531 4.854 . 0 0 "[ . 1 .]" 1
60 1 82 LEU HB3 1 82 LEU MD2 . . 3.510 2.090 1.962 2.185 . 0 0 "[ . 1 .]" 1
61 1 9 ILE HG12 1 61 PHE HB3 . . 5.500 4.962 4.125 5.378 . 0 0 "[ . 1 .]" 1
62 1 9 ILE HG12 1 61 PHE HB2 . . 5.500 5.053 4.493 5.505 0.005 14 0 "[ . 1 .]" 1
63 1 9 ILE HB 1 61 PHE HB3 . . 3.980 2.978 2.350 3.235 . 0 0 "[ . 1 .]" 1
64 1 74 TYR H 1 74 TYR HB3 . . 4.110 3.479 3.451 3.500 . 0 0 "[ . 1 .]" 1
65 1 62 ILE H 1 65 VAL HB . . 4.970 3.578 2.310 4.978 0.008 5 0 "[ . 1 .]" 1
66 1 8 VAL HB 1 33 PHE HA . . 3.890 2.679 1.998 2.845 . 0 0 "[ . 1 .]" 1
67 1 42 PRO HB2 1 43 GLU H . . 4.480 3.709 3.639 3.804 . 0 0 "[ . 1 .]" 1
68 1 76 LEU MD1 1 81 LYS HB2 . . 4.140 3.739 3.299 4.103 . 0 0 "[ . 1 .]" 1
69 1 81 LYS HB2 1 81 LYS HE2 . . 5.230 4.191 3.553 4.606 . 0 0 "[ . 1 .]" 1
70 1 81 LYS HB2 1 81 LYS HE3 . . 5.230 3.796 2.086 4.644 . 0 0 "[ . 1 .]" 1
71 1 76 LEU HA 1 81 LYS HB2 . . 4.140 3.063 2.801 3.467 . 0 0 "[ . 1 .]" 1
72 1 80 GLY H 1 81 LYS HB2 . . 4.680 4.401 4.168 4.727 0.047 15 0 "[ . 1 .]" 1
73 1 5 MET HB3 1 5 MET ME . . 4.420 3.000 2.089 4.067 . 0 0 "[ . 1 .]" 1
74 1 32 GLU H 1 32 GLU HB3 . . 3.710 2.784 2.332 3.572 . 0 0 "[ . 1 .]" 1
75 1 29 LYS HB2 1 31 ALA H . . 4.430 3.629 2.613 4.212 . 0 0 "[ . 1 .]" 1
76 1 26 LEU HA 1 29 LYS HB2 . . 5.500 4.788 3.080 5.504 0.004 2 0 "[ . 1 .]" 1
77 1 26 LEU HA 1 29 LYS HB3 . . 5.500 5.231 4.523 5.503 0.003 5 0 "[ . 1 .]" 1
78 1 23 LYS HB3 1 33 PHE QE . . 4.250 4.037 3.474 4.250 . 0 0 "[ . 1 .]" 1
79 1 23 LYS H 1 23 LYS HB3 . . 3.850 3.594 3.582 3.610 . 0 0 "[ . 1 .]" 1
80 1 90 LYS HB2 1 91 LEU H . . 4.310 3.818 2.164 4.312 0.002 2 0 "[ . 1 .]" 1
81 1 9 ILE HG13 1 9 ILE MG . . 3.380 2.747 2.659 2.817 . 0 0 "[ . 1 .]" 1
82 1 8 VAL HB 1 9 ILE HG13 . . 5.410 5.109 5.007 5.236 . 0 0 "[ . 1 .]" 1
83 1 82 LEU HA 1 82 LEU HG . . 4.220 3.689 3.666 3.696 . 0 0 "[ . 1 .]" 1
84 1 82 LEU HG 1 83 ASP HA . . 4.240 3.885 3.668 4.156 . 0 0 "[ . 1 .]" 1
85 1 62 ILE MG 1 85 LEU HG . . 2.820 2.230 1.915 2.821 0.001 11 0 "[ . 1 .]" 1
86 1 82 LEU HA 1 85 LEU HG . . 4.970 4.732 4.579 4.970 0.000 12 0 "[ . 1 .]" 1
87 1 25 LEU HG 1 26 LEU H . . 5.110 3.710 3.073 4.301 . 0 0 "[ . 1 .]" 1
88 1 65 VAL HA 1 65 VAL MG2 . . 3.400 2.352 2.250 2.458 . 0 0 "[ . 1 .]" 1
89 1 8 VAL MG2 1 33 PHE HB3 . . 4.780 4.573 3.933 4.777 . 0 0 "[ . 1 .]" 1
90 1 8 VAL MG2 1 33 PHE QD . . 5.500 5.258 4.670 5.503 0.003 2 0 "[ . 1 .]" 1
91 1 8 VAL MG2 1 32 GLU H . . 5.500 3.738 3.360 4.178 . 0 0 "[ . 1 .]" 1
92 1 8 VAL MG1 1 31 ALA MB . . 4.910 4.266 3.875 4.543 . 0 0 "[ . 1 .]" 1
93 1 8 VAL MG1 1 33 PHE HB3 . . 4.780 3.259 2.673 3.590 . 0 0 "[ . 1 .]" 1
94 1 8 VAL MG1 1 33 PHE HA . . 4.330 3.390 3.128 3.616 . 0 0 "[ . 1 .]" 1
95 1 8 VAL MG1 1 33 PHE QD . . 5.500 4.702 4.301 4.947 . 0 0 "[ . 1 .]" 1
96 1 8 VAL MG1 1 62 ILE MG . . 3.040 2.349 1.881 3.072 0.032 15 0 "[ . 1 .]" 1
97 1 55 ASN H 1 56 THR MG . . 4.560 3.719 3.057 4.457 . 0 0 "[ . 1 .]" 1
98 1 56 THR MG 1 57 PHE H . . 4.190 3.626 1.958 4.189 . 0 0 "[ . 1 .]" 1
99 1 29 LYS H 1 31 ALA MB . . 4.250 4.147 3.997 4.272 0.022 7 0 "[ . 1 .]" 1
100 1 31 ALA MB 1 32 GLU HA . . 4.520 4.132 4.028 4.239 . 0 0 "[ . 1 .]" 1
101 1 31 ALA MB 1 33 PHE HB3 . . 4.670 4.443 4.234 4.648 . 0 0 "[ . 1 .]" 1
102 1 31 ALA MB 1 86 LEU HB3 . . 4.050 3.384 2.880 3.658 . 0 0 "[ . 1 .]" 1
103 1 29 LYS HB2 1 31 ALA MB . . 3.750 3.387 2.456 3.759 0.009 10 0 "[ . 1 .]" 1
104 1 8 VAL HB 1 9 ILE MD . . 5.190 4.911 4.717 5.150 . 0 0 "[ . 1 .]" 1
105 1 9 ILE MD 1 62 ILE HA . . 4.380 3.625 3.249 3.948 . 0 0 "[ . 1 .]" 1
106 1 8 VAL HA 1 9 ILE MD . . 4.400 2.850 2.516 3.190 . 0 0 "[ . 1 .]" 1
107 1 9 ILE MD 1 33 PHE HA . . 5.500 5.419 5.159 5.506 0.006 2 0 "[ . 1 .]" 1
108 1 9 ILE MD 1 61 PHE HA . . 4.970 4.722 4.277 4.973 0.003 11 0 "[ . 1 .]" 1
109 1 9 ILE MD 1 11 TYR QE . . 5.160 4.865 4.486 5.164 0.004 15 0 "[ . 1 .]" 1
110 1 9 ILE MD 1 61 PHE QD . . 4.450 4.062 2.535 4.353 . 0 0 "[ . 1 .]" 1
111 1 9 ILE MD 1 34 ASN H . . 5.500 5.141 4.931 5.473 . 0 0 "[ . 1 .]" 1
112 1 9 ILE MD 1 62 ILE H . . 4.650 4.626 4.330 4.676 0.026 6 0 "[ . 1 .]" 1
113 1 75 ALA MB 1 79 GLU HG2 . . 4.580 3.818 3.621 4.550 . 0 0 "[ . 1 .]" 1
114 1 10 ILE MD 1 10 ILE MG . . 2.860 2.138 1.962 2.269 . 0 0 "[ . 1 .]" 1
115 1 10 ILE MD 1 22 ALA MB . . 3.330 2.114 1.764 2.470 . 0 0 "[ . 1 .]" 1
116 1 10 ILE MD 1 12 THR MG . . 3.390 2.239 1.951 2.770 . 0 0 "[ . 1 .]" 1
117 1 10 ILE MD 1 58 PRO HB2 . . 3.640 2.547 2.161 2.944 . 0 0 "[ . 1 .]" 1
118 1 10 ILE MD 1 33 PHE HB2 . . 4.530 4.443 4.134 4.541 0.011 15 0 "[ . 1 .]" 1
119 1 10 ILE MD 1 19 CYS HB3 . . 4.870 3.652 2.713 4.723 . 0 0 "[ . 1 .]" 1
120 1 10 ILE MD 1 19 CYS HB2 . . 4.870 2.863 2.368 4.453 . 0 0 "[ . 1 .]" 1
121 1 10 ILE MD 1 23 LYS HA . . 5.290 4.614 4.166 4.893 . 0 0 "[ . 1 .]" 1
122 1 10 ILE MD 1 58 PRO HB3 . . 4.370 3.241 2.740 3.490 . 0 0 "[ . 1 .]" 1
123 1 36 ILE HB 1 36 ILE MD . . 3.410 2.458 2.200 3.216 . 0 0 "[ . 1 .]" 1
124 1 9 ILE HB 1 36 ILE MD . . 4.430 3.740 3.366 4.434 0.004 10 0 "[ . 1 .]" 1
125 1 34 ASN HB3 1 36 ILE MD . . 5.060 4.706 3.346 5.056 . 0 0 "[ . 1 .]" 1
126 1 36 ILE HA 1 36 ILE MD . . 4.210 3.738 2.033 3.883 . 0 0 "[ . 1 .]" 1
127 1 9 ILE MG 1 36 ILE HG12 . . 3.670 3.179 2.592 3.609 . 0 0 "[ . 1 .]" 1
128 1 9 ILE MD 1 9 ILE MG . . 3.180 3.094 3.020 3.132 . 0 0 "[ . 1 .]" 1
129 1 9 ILE MG 1 36 ILE MG . . 4.460 4.212 3.943 4.458 . 0 0 "[ . 1 .]" 1
130 1 9 ILE HG12 1 9 ILE MG . . 3.350 2.110 1.989 2.186 . 0 0 "[ . 1 .]" 1
131 1 9 ILE MG 1 36 ILE HB . . 4.490 4.267 4.079 4.497 0.007 11 0 "[ . 1 .]" 1
132 1 9 ILE MG 1 34 ASN HB3 . . 3.680 2.387 2.074 2.738 . 0 0 "[ . 1 .]" 1
133 1 9 ILE MG 1 61 PHE HB2 . . 4.450 3.674 3.409 3.997 . 0 0 "[ . 1 .]" 1
134 1 9 ILE MG 1 61 PHE HB3 . . 4.700 4.429 3.931 4.705 0.005 2 0 "[ . 1 .]" 1
135 1 9 ILE H 1 9 ILE MG . . 4.260 3.950 3.922 3.972 . 0 0 "[ . 1 .]" 1
136 1 10 ILE MG 1 35 GLU HA . . 3.790 2.080 1.898 2.285 . 0 0 "[ . 1 .]" 1
137 1 8 VAL MG2 1 33 PHE HA . . 4.330 4.238 3.596 4.334 0.004 4 0 "[ . 1 .]" 1
138 1 23 LYS HA 1 24 ALA HA . . 5.500 4.874 4.817 4.896 . 0 0 "[ . 1 .]" 1
139 1 46 ALA HA 1 49 GLN HB3 . . 3.780 2.586 2.194 3.067 . 0 0 "[ . 1 .]" 1
140 1 22 ALA HA 1 25 LEU H . . 4.690 3.989 3.719 4.195 . 0 0 "[ . 1 .]" 1
141 1 46 ALA HA 1 49 GLN H . . 4.370 3.486 3.149 3.770 . 0 0 "[ . 1 .]" 1
142 1 46 ALA HA 1 50 GLU H . . 5.060 4.740 4.254 5.062 0.002 10 0 "[ . 1 .]" 1
143 1 26 LEU H 1 27 ALA HA . . 5.500 5.331 5.281 5.413 . 0 0 "[ . 1 .]" 1
144 1 32 GLU HA 1 32 GLU HG2 . . 4.000 3.508 2.457 3.850 . 0 0 "[ . 1 .]" 1
145 1 32 GLU HA 1 33 PHE QE . . 4.650 4.295 3.918 4.651 0.001 12 0 "[ . 1 .]" 1
146 1 22 ALA HA 1 73 LEU MD1 . . 4.750 3.723 2.624 4.757 0.007 7 0 "[ . 1 .]" 1
147 1 22 ALA HA 1 73 LEU MD2 . . 4.750 2.805 2.040 4.556 . 0 0 "[ . 1 .]" 1
148 1 22 ALA HA 1 74 TYR QE . . 3.950 3.487 2.411 3.952 0.002 8 0 "[ . 1 .]" 1
149 1 11 TYR QE 1 44 LEU HA . . 4.260 3.031 2.611 3.480 . 0 0 "[ . 1 .]" 1
150 1 76 LEU HA 1 76 LEU HG . . 3.800 3.112 3.008 3.199 . 0 0 "[ . 1 .]" 1
151 1 25 LEU HA 1 25 LEU MD2 . . 4.080 3.807 3.586 3.960 . 0 0 "[ . 1 .]" 1
152 1 85 LEU HA 1 86 LEU HA . . 5.200 4.679 4.635 4.705 . 0 0 "[ . 1 .]" 1
153 1 86 LEU HA 1 87 LYS HA . . 5.500 4.655 4.607 4.727 . 0 0 "[ . 1 .]" 1
154 1 73 LEU HA 1 76 LEU MD1 . . 3.590 2.792 2.451 3.062 . 0 0 "[ . 1 .]" 1
155 1 73 LEU HA 1 76 LEU HB2 . . 3.890 3.528 3.163 3.906 0.016 7 0 "[ . 1 .]" 1
156 1 26 LEU HA 1 31 ALA H . . 4.150 3.360 2.960 3.899 . 0 0 "[ . 1 .]" 1
157 1 73 LEU HA 1 75 ALA H . . 4.750 4.490 4.211 4.672 . 0 0 "[ . 1 .]" 1
158 1 26 LEU HA 1 26 LEU HG . . 3.680 2.719 2.576 2.900 . 0 0 "[ . 1 .]" 1
159 1 55 ASN HA 1 56 THR HA . . 4.920 4.623 4.385 4.773 . 0 0 "[ . 1 .]" 1
160 1 25 LEU H 1 25 LEU MD1 . . 4.450 4.168 3.878 4.366 . 0 0 "[ . 1 .]" 1
161 1 6 VAL H 1 6 VAL MG2 . . 3.890 2.118 1.975 2.238 . 0 0 "[ . 1 .]" 1
162 1 6 VAL HB 1 63 GLY H . . 4.680 3.513 2.865 4.684 0.004 8 0 "[ . 1 .]" 1
163 1 26 LEU HB2 1 27 ALA H . . 4.620 2.895 2.623 3.071 . 0 0 "[ . 1 .]" 1
164 1 8 VAL HB 1 9 ILE H . . 4.780 3.881 3.719 4.088 . 0 0 "[ . 1 .]" 1
165 1 8 VAL MG2 1 62 ILE MG . . 3.040 2.279 1.883 2.885 . 0 0 "[ . 1 .]" 1
166 1 9 ILE HB 1 61 PHE HB2 . . 3.820 2.466 2.003 2.866 . 0 0 "[ . 1 .]" 1
167 1 9 ILE MD 1 61 PHE HB2 . . 4.460 3.297 2.733 3.775 . 0 0 "[ . 1 .]" 1
168 1 9 ILE MD 1 61 PHE H . . 4.670 4.428 3.965 4.677 0.007 5 0 "[ . 1 .]" 1
169 1 9 ILE HG13 1 10 ILE H . . 4.600 4.473 4.422 4.564 . 0 0 "[ . 1 .]" 1
170 1 9 ILE MG 1 11 TYR QD . . 4.430 3.506 3.036 3.919 . 0 0 "[ . 1 .]" 1
171 1 9 ILE MG 1 61 PHE H . . 5.150 4.816 4.193 5.097 . 0 0 "[ . 1 .]" 1
172 1 10 ILE MD 1 19 CYS HA . . 4.550 4.112 3.628 4.526 . 0 0 "[ . 1 .]" 1
173 1 10 ILE MD 1 60 ILE HA . . 4.940 4.198 3.684 4.784 . 0 0 "[ . 1 .]" 1
174 1 10 ILE HA 1 10 ILE MD . . 4.610 3.750 3.667 3.784 . 0 0 "[ . 1 .]" 1
175 1 10 ILE MD 1 33 PHE QD . . 5.160 4.818 4.482 5.122 . 0 0 "[ . 1 .]" 1
176 1 10 ILE H 1 10 ILE MD . . 4.970 4.729 4.606 4.816 . 0 0 "[ . 1 .]" 1
177 1 10 ILE MG 1 33 PHE HB2 . . 4.510 2.897 2.545 3.275 . 0 0 "[ . 1 .]" 1
178 1 10 ILE MG 1 35 GLU HG3 . . 4.590 3.293 2.274 4.182 . 0 0 "[ . 1 .]" 1
179 1 10 ILE MG 1 35 GLU HG2 . . 4.590 2.896 2.460 3.940 . 0 0 "[ . 1 .]" 1
180 1 42 PRO HA 1 45 ARG H . . 4.280 3.816 3.476 4.102 . 0 0 "[ . 1 .]" 1
181 1 19 CYS HA 1 58 PRO HB3 . . 5.500 4.489 4.203 4.658 . 0 0 "[ . 1 .]" 1
182 1 19 CYS HA 1 58 PRO HG3 . . 4.260 2.683 2.386 2.897 . 0 0 "[ . 1 .]" 1
183 1 19 CYS HA 1 58 PRO HG2 . . 4.840 3.991 3.654 4.377 . 0 0 "[ . 1 .]" 1
184 1 21 ARG HB2 1 22 ALA HA . . 5.500 4.488 4.027 5.359 . 0 0 "[ . 1 .]" 1
185 1 21 ARG HB3 1 22 ALA HA . . 5.500 4.235 3.840 5.591 0.091 11 0 "[ . 1 .]" 1
186 1 20 ALA HA 1 23 LYS HB2 . . 4.260 2.830 2.493 3.643 . 0 0 "[ . 1 .]" 1
187 1 22 ALA MB 1 25 LEU H . . 5.340 5.021 4.779 5.252 . 0 0 "[ . 1 .]" 1
188 1 22 ALA MB 1 58 PRO HG2 . . 3.760 2.727 2.293 3.296 . 0 0 "[ . 1 .]" 1
189 1 12 THR MG 1 22 ALA MB . . 4.710 4.463 4.125 4.711 0.001 7 0 "[ . 1 .]" 1
190 1 23 LYS HA 1 26 LEU HG . . 4.110 4.019 3.787 4.123 0.013 15 0 "[ . 1 .]" 1
191 1 23 LYS HA 1 33 PHE HB3 . . 5.500 5.328 5.148 5.503 0.003 5 0 "[ . 1 .]" 1
192 1 23 LYS HB3 1 33 PHE QD . . 5.310 5.164 4.651 5.314 0.004 11 0 "[ . 1 .]" 1
193 1 25 LEU HA 1 25 LEU MD1 . . 4.080 2.753 2.068 3.576 . 0 0 "[ . 1 .]" 1
194 1 25 LEU HB3 1 74 TYR QE . . 4.830 3.823 2.662 4.446 . 0 0 "[ . 1 .]" 1
195 1 25 LEU HB3 1 25 LEU MD2 . . 3.630 2.143 1.954 2.450 . 0 0 "[ . 1 .]" 1
196 1 26 LEU MD2 1 34 ASN H . . 5.500 5.431 5.099 5.511 0.011 15 0 "[ . 1 .]" 1
197 1 26 LEU HB3 1 27 ALA H . . 4.620 3.728 3.392 3.975 . 0 0 "[ . 1 .]" 1
198 1 26 LEU MD2 1 33 PHE HB3 . . 4.280 2.389 1.986 2.710 . 0 0 "[ . 1 .]" 1
199 1 26 LEU HA 1 26 LEU MD2 . . 4.520 2.475 2.240 2.681 . 0 0 "[ . 1 .]" 1
200 1 26 LEU MD2 1 27 ALA H . . 5.180 4.896 4.735 5.014 . 0 0 "[ . 1 .]" 1
201 1 31 ALA MB 1 33 PHE QE . . 4.640 4.553 4.134 4.645 0.005 7 0 "[ . 1 .]" 1
202 1 32 GLU HA 1 33 PHE QD . . 4.010 3.376 2.985 3.831 . 0 0 "[ . 1 .]" 1
203 1 32 GLU HB3 1 33 PHE H . . 4.600 3.678 2.563 4.398 . 0 0 "[ . 1 .]" 1
204 1 32 GLU HG2 1 33 PHE H . . 4.670 3.956 3.219 4.653 . 0 0 "[ . 1 .]" 1
205 1 32 GLU H 1 32 GLU HG2 . . 4.660 4.198 2.099 4.662 0.002 6 0 "[ . 1 .]" 1
206 1 32 GLU HA 1 33 PHE HB3 . . 4.830 4.661 4.532 4.802 . 0 0 "[ . 1 .]" 1
207 1 23 LYS HD2 1 33 PHE HB2 . . 5.330 4.880 3.870 5.333 0.003 7 0 "[ . 1 .]" 1
208 1 23 LYS HD3 1 33 PHE HB2 . . 5.330 4.335 4.115 4.582 . 0 0 "[ . 1 .]" 1
209 1 32 GLU H 1 33 PHE HB3 . . 5.500 5.340 5.115 5.512 0.012 15 0 "[ . 1 .]" 1
210 1 33 PHE HB2 1 35 GLU H . . 5.300 5.196 4.891 5.300 . 0 0 "[ . 1 .]" 1
211 1 23 LYS HB3 1 33 PHE HZ . . 4.630 3.948 3.029 4.614 . 0 0 "[ . 1 .]" 1
212 1 32 GLU HA 1 32 GLU HG3 . . 4.000 2.716 2.204 3.847 . 0 0 "[ . 1 .]" 1
213 1 32 GLU H 1 32 GLU HG3 . . 4.660 4.102 3.297 4.485 . 0 0 "[ . 1 .]" 1
214 1 36 ILE HA 1 36 ILE HG13 . . 3.740 3.039 2.872 3.769 0.029 10 0 "[ . 1 .]" 1
215 1 36 ILE HA 1 36 ILE HG12 . . 3.740 2.646 2.542 3.242 . 0 0 "[ . 1 .]" 1
216 1 11 TYR HA 1 36 ILE HB . . 4.100 2.212 1.994 2.578 . 0 0 "[ . 1 .]" 1
217 1 11 TYR QD 1 36 ILE HB . . 4.350 3.688 3.396 3.948 . 0 0 "[ . 1 .]" 1
218 1 34 ASN HD22 1 36 ILE MD . . 4.560 4.049 2.816 4.550 . 0 0 "[ . 1 .]" 1
219 1 9 ILE MG 1 36 ILE HG13 . . 3.670 2.658 2.307 2.898 . 0 0 "[ . 1 .]" 1
220 1 38 ALA MB 1 40 ALA MB . . 5.270 4.727 4.672 4.769 . 0 0 "[ . 1 .]" 1
221 1 38 ALA MB 1 44 LEU HB3 . . 4.080 3.281 2.777 3.883 . 0 0 "[ . 1 .]" 1
222 1 39 SER HA 1 40 ALA MB . . 4.920 4.682 4.627 4.758 . 0 0 "[ . 1 .]" 1
223 1 43 GLU HA 1 46 ALA H . . 4.330 3.955 3.634 4.325 . 0 0 "[ . 1 .]" 1
224 1 43 GLU HA 1 46 ALA MB . . 3.420 2.908 2.370 3.429 0.009 11 0 "[ . 1 .]" 1
225 1 43 GLU H 1 43 GLU HG2 . . 4.810 3.723 2.247 4.659 . 0 0 "[ . 1 .]" 1
226 1 40 ALA H 1 44 LEU HB2 . . 4.350 4.111 3.773 4.377 0.027 4 0 "[ . 1 .]" 1
227 1 11 TYR QE 1 44 LEU HG . . 4.770 4.133 2.046 4.771 0.001 9 0 "[ . 1 .]" 1
228 1 46 ALA MB 1 47 GLU HA . . 4.070 3.818 3.669 3.992 . 0 0 "[ . 1 .]" 1
229 1 48 MET HB2 1 49 GLN H . . 4.330 3.428 2.855 4.180 . 0 0 "[ . 1 .]" 1
230 1 48 MET HB3 1 49 GLN H . . 4.330 3.719 2.962 4.173 . 0 0 "[ . 1 .]" 1
231 1 49 GLN HG2 1 50 GLU H . . 5.500 4.367 2.340 5.263 . 0 0 "[ . 1 .]" 1
232 1 49 GLN HG3 1 50 GLU H . . 5.500 4.096 3.146 5.105 . 0 0 "[ . 1 .]" 1
233 1 50 GLU HA 1 50 GLU HG3 . . 4.130 2.927 2.539 3.394 . 0 0 "[ . 1 .]" 1
234 1 45 ARG HB2 1 46 ALA H . . 4.170 3.999 3.746 4.131 . 0 0 "[ . 1 .]" 1
235 1 50 GLU H 1 50 GLU HG2 . . 4.720 4.539 4.364 4.632 . 0 0 "[ . 1 .]" 1
236 1 50 GLU H 1 50 GLU HG3 . . 4.720 4.437 4.293 4.529 . 0 0 "[ . 1 .]" 1
237 1 51 ARG HA 1 51 ARG HG3 . . 4.000 3.244 2.203 3.856 . 0 0 "[ . 1 .]" 1
238 1 51 ARG HA 1 51 ARG HG2 . . 4.000 3.083 2.647 3.555 . 0 0 "[ . 1 .]" 1
239 1 10 ILE MG 1 58 PRO HB2 . . 4.570 4.252 4.020 4.438 . 0 0 "[ . 1 .]" 1
240 1 60 ILE HB 1 68 GLY H . . 5.500 5.323 5.058 5.507 0.007 13 0 "[ . 1 .]" 1
241 1 11 TYR QD 1 61 PHE HB2 . . 4.070 3.854 3.468 4.076 0.006 4 0 "[ . 1 .]" 1
242 1 61 PHE HB2 1 62 ILE H . . 4.700 4.381 4.204 4.573 . 0 0 "[ . 1 .]" 1
243 1 62 ILE HB 1 62 ILE MD . . 3.660 2.340 2.171 3.216 . 0 0 "[ . 1 .]" 1
244 1 62 ILE HB 1 65 VAL HB . . 4.690 3.931 2.582 4.482 . 0 0 "[ . 1 .]" 1
245 1 62 ILE MG 1 86 LEU HA . . 3.760 3.457 3.011 3.767 0.007 2 0 "[ . 1 .]" 1
246 1 62 ILE MG 1 88 THR H . . 5.500 5.275 4.468 5.523 0.023 10 0 "[ . 1 .]" 1
247 1 9 ILE H 1 62 ILE MG . . 4.680 3.961 3.481 4.683 0.003 11 0 "[ . 1 .]" 1
248 1 61 PHE HB3 1 62 ILE MG . . 5.500 5.128 4.738 5.690 0.190 15 0 "[ . 1 .]" 1
249 1 8 VAL HB 1 62 ILE MG . . 4.760 4.298 3.845 4.757 . 0 0 "[ . 1 .]" 1
250 1 62 ILE MG 1 65 VAL HB . . 5.390 4.705 4.126 5.177 . 0 0 "[ . 1 .]" 1
251 1 65 VAL HA 1 65 VAL MG1 . . 3.400 2.452 2.230 3.191 . 0 0 "[ . 1 .]" 1
252 1 90 LYS HD2 1 92 ILE HA . . 5.500 4.979 4.131 5.481 . 0 0 "[ . 1 .]" 1
253 1 90 LYS HD3 1 92 ILE HA . . 5.500 5.117 4.304 5.668 0.168 3 0 "[ . 1 .]" 1
254 1 65 VAL HA 1 66 HIS HA . . 4.480 4.373 4.339 4.436 . 0 0 "[ . 1 .]" 1
255 1 65 VAL MG2 1 66 HIS H . . 4.360 3.689 2.107 4.126 . 0 0 "[ . 1 .]" 1
256 1 67 VAL HA 1 67 VAL MG2 . . 3.440 2.348 2.269 2.451 . 0 0 "[ . 1 .]" 1
257 1 67 VAL HA 1 67 VAL MG1 . . 3.440 2.541 2.242 3.199 . 0 0 "[ . 1 .]" 1
258 1 8 VAL HB 1 26 LEU MD2 . . 5.260 3.296 2.893 3.699 . 0 0 "[ . 1 .]" 1
259 1 26 LEU HA 1 31 ALA MB . . 3.590 2.348 1.979 2.866 . 0 0 "[ . 1 .]" 1
260 1 74 TYR HA 1 74 TYR QD . . 3.880 2.552 2.191 3.045 . 0 0 "[ . 1 .]" 1
261 1 74 TYR H 1 75 ALA MB . . 4.290 4.123 4.023 4.283 . 0 0 "[ . 1 .]" 1
262 1 75 ALA MB 1 79 GLU H . . 4.580 4.577 4.486 4.617 0.037 15 0 "[ . 1 .]" 1
263 1 72 ASP HA 1 75 ALA MB . . 3.020 2.317 1.977 2.632 . 0 0 "[ . 1 .]" 1
264 1 75 ALA MB 1 78 ASP HB2 . . 4.410 4.160 3.941 4.296 . 0 0 "[ . 1 .]" 1
265 1 75 ALA MB 1 79 GLU HG3 . . 4.580 4.013 3.527 4.457 . 0 0 "[ . 1 .]" 1
266 1 75 ALA MB 1 76 LEU HG . . 3.590 3.392 3.249 3.524 . 0 0 "[ . 1 .]" 1
267 1 75 ALA MB 1 76 LEU MD2 . . 3.970 3.552 3.314 3.882 . 0 0 "[ . 1 .]" 1
268 1 76 LEU HA 1 81 LYS H . . 3.890 3.702 3.292 3.880 . 0 0 "[ . 1 .]" 1
269 1 75 ALA MB 1 76 LEU HB2 . . 4.740 4.624 4.547 4.745 0.005 8 0 "[ . 1 .]" 1
270 1 76 LEU H 1 76 LEU HB3 . . 3.590 3.584 3.579 3.588 . 0 0 "[ . 1 .]" 1
271 1 76 LEU HA 1 76 LEU MD2 . . 3.270 2.162 1.983 2.303 . 0 0 "[ . 1 .]" 1
272 1 76 LEU MD2 1 81 LYS HB2 . . 3.710 2.343 1.916 2.735 . 0 0 "[ . 1 .]" 1
273 1 73 LEU HA 1 76 LEU HG . . 4.560 3.655 2.957 3.968 . 0 0 "[ . 1 .]" 1
274 1 78 ASP HB2 1 79 GLU HA . . 5.120 4.737 4.691 4.843 . 0 0 "[ . 1 .]" 1
275 1 75 ALA HA 1 78 ASP HB3 . . 4.620 4.359 4.015 4.529 . 0 0 "[ . 1 .]" 1
276 1 76 LEU HA 1 79 GLU HB3 . . 5.200 4.647 4.291 5.137 . 0 0 "[ . 1 .]" 1
277 1 76 LEU HA 1 79 GLU HB2 . . 4.300 2.971 2.628 3.469 . 0 0 "[ . 1 .]" 1
278 1 79 GLU H 1 79 GLU HG2 . . 4.060 2.066 1.950 2.527 . 0 0 "[ . 1 .]" 1
279 1 76 LEU HA 1 79 GLU HG3 . . 4.900 3.659 3.099 4.218 . 0 0 "[ . 1 .]" 1
280 1 76 LEU HA 1 79 GLU HG2 . . 4.900 3.681 3.377 4.771 . 0 0 "[ . 1 .]" 1
281 1 79 GLU HA 1 79 GLU HG3 . . 4.140 3.798 3.594 3.831 . 0 0 "[ . 1 .]" 1
282 1 76 LEU HB3 1 81 LYS HB3 . . 4.240 3.627 3.197 4.078 . 0 0 "[ . 1 .]" 1
283 1 81 LYS HB3 1 82 LEU H . . 4.710 4.432 4.238 4.525 . 0 0 "[ . 1 .]" 1
284 1 81 LYS H 1 81 LYS HB3 . . 3.870 3.778 3.610 3.852 . 0 0 "[ . 1 .]" 1
285 1 23 LYS HB3 1 23 LYS HE3 . . 5.040 4.507 4.298 4.859 . 0 0 "[ . 1 .]" 1
286 1 76 LEU MD2 1 81 LYS HG2 . . 5.010 4.350 3.441 4.820 . 0 0 "[ . 1 .]" 1
287 1 76 LEU MD2 1 81 LYS HG3 . . 5.010 4.005 2.037 4.565 . 0 0 "[ . 1 .]" 1
288 1 82 LEU HA 1 85 LEU HB3 . . 3.830 2.057 1.988 2.283 . 0 0 "[ . 1 .]" 1
289 1 82 LEU HA 1 85 LEU HB2 . . 3.560 3.108 2.880 3.270 . 0 0 "[ . 1 .]" 1
290 1 82 LEU HB2 1 82 LEU MD1 . . 3.120 2.099 1.997 2.173 . 0 0 "[ . 1 .]" 1
291 1 82 LEU MD1 1 83 ASP HA . . 3.860 2.436 2.269 2.558 . 0 0 "[ . 1 .]" 1
292 1 84 SER HA 1 87 LYS HB3 . . 3.440 2.505 2.087 2.879 . 0 0 "[ . 1 .]" 1
293 1 85 LEU HA 1 85 LEU HG . . 4.100 2.709 2.568 2.785 . 0 0 "[ . 1 .]" 1
294 1 62 ILE MG 1 85 LEU HA . . 4.150 4.023 3.404 4.156 0.006 7 0 "[ . 1 .]" 1
295 1 76 LEU MD1 1 85 LEU HB3 . . 4.150 3.999 3.487 4.159 0.009 5 0 "[ . 1 .]" 1
296 1 85 LEU HB2 1 85 LEU HG . . 2.870 2.702 2.665 2.766 . 0 0 "[ . 1 .]" 1
297 1 85 LEU HB2 1 86 LEU H . . 4.410 3.927 3.824 4.021 . 0 0 "[ . 1 .]" 1
298 1 88 THR H 1 88 THR HB . . 4.040 3.703 3.428 3.952 . 0 0 "[ . 1 .]" 1
299 1 87 LYS HB3 1 88 THR MG . . 3.300 2.575 2.202 2.951 . 0 0 "[ . 1 .]" 1
300 1 87 LYS H 1 88 THR MG . . 4.260 3.989 3.618 4.269 0.009 3 0 "[ . 1 .]" 1
301 1 90 LYS HB3 1 91 LEU H . . 4.310 3.715 3.282 4.247 . 0 0 "[ . 1 .]" 1
302 1 90 LYS HD2 1 92 ILE H . . 5.490 3.043 2.368 4.050 . 0 0 "[ . 1 .]" 1
303 1 90 LYS HD3 1 92 ILE H . . 5.490 3.015 1.981 3.868 . 0 0 "[ . 1 .]" 1
304 1 90 LYS HG2 1 91 LEU H . . 5.320 3.234 2.108 4.609 . 0 0 "[ . 1 .]" 1
305 1 90 LYS HG3 1 91 LEU H . . 5.320 3.557 2.969 4.363 . 0 0 "[ . 1 .]" 1
306 1 4 SER HB2 1 5 MET HA . . 5.500 4.936 4.056 5.495 . 0 0 "[ . 1 .]" 1
307 1 4 SER HB3 1 5 MET HA . . 5.500 4.768 4.031 5.499 . 0 0 "[ . 1 .]" 1
308 1 5 MET HB2 1 5 MET ME . . 4.420 2.616 2.029 4.085 . 0 0 "[ . 1 .]" 1
309 1 9 ILE HG12 1 34 ASN HB3 . . 4.130 3.580 3.039 3.959 . 0 0 "[ . 1 .]" 1
310 1 40 ALA HA 1 41 THR HA . . 4.620 4.514 4.437 4.537 . 0 0 "[ . 1 .]" 1
311 1 25 LEU H 1 25 LEU HB3 . . 4.040 2.410 2.261 2.647 . 0 0 "[ . 1 .]" 1
312 1 20 ALA MB 1 21 ARG HA . . 3.940 3.796 3.680 3.906 . 0 0 "[ . 1 .]" 1
313 1 23 LYS HB3 1 23 LYS HE2 . . 5.040 4.632 4.274 4.835 . 0 0 "[ . 1 .]" 1
314 1 29 LYS HE2 1 82 LEU MD2 . . 4.930 3.605 1.978 4.931 0.001 6 0 "[ . 1 .]" 1
315 1 29 LYS HE2 1 82 LEU MD1 . . 5.200 3.142 1.909 4.266 . 0 0 "[ . 1 .]" 1
316 1 29 LYS HE3 1 82 LEU MD2 . . 4.930 3.420 2.141 4.938 0.008 7 0 "[ . 1 .]" 1
317 1 10 ILE MG 1 35 GLU HB3 . . 5.170 3.672 3.277 4.085 . 0 0 "[ . 1 .]" 1
318 1 22 ALA MB 1 70 SER HA . . 3.850 3.528 3.185 3.852 0.002 13 0 "[ . 1 .]" 1
319 1 70 SER HA 1 73 LEU HB2 . . 4.210 3.494 2.716 4.085 . 0 0 "[ . 1 .]" 1
320 1 70 SER HA 1 73 LEU H . . 4.200 3.395 3.217 3.573 . 0 0 "[ . 1 .]" 1
321 1 22 ALA MB 1 73 LEU HB3 . . 4.710 4.367 3.629 4.717 0.007 9 0 "[ . 1 .]" 1
322 1 26 LEU MD2 1 31 ALA MB . . 4.360 1.947 1.762 2.270 . 0 0 "[ . 1 .]" 1
323 1 29 LYS HA 1 29 LYS HD2 . . 5.500 5.002 4.228 5.534 0.034 15 0 "[ . 1 .]" 1
324 1 29 LYS HA 1 29 LYS HD3 . . 5.500 4.744 3.495 5.295 . 0 0 "[ . 1 .]" 1
325 1 87 LYS HA 1 88 THR HA . . 4.610 4.532 4.514 4.553 . 0 0 "[ . 1 .]" 1
326 1 92 ILE H 1 92 ILE HB . . 4.020 2.689 2.282 3.430 . 0 0 "[ . 1 .]" 1
327 1 23 LYS H 1 23 LYS HD2 . . 5.310 4.643 4.003 5.009 . 0 0 "[ . 1 .]" 1
328 1 23 LYS H 1 23 LYS HD3 . . 5.310 3.702 2.767 4.182 . 0 0 "[ . 1 .]" 1
329 1 12 THR MG 1 35 GLU HA . . 4.810 3.328 2.786 4.825 0.015 12 0 "[ . 1 .]" 1
330 1 12 THR MG 1 19 CYS HA . . 4.750 4.579 3.953 4.771 0.021 13 0 "[ . 1 .]" 1
331 1 12 THR MG 1 58 PRO HB3 . . 4.680 3.008 1.927 3.385 . 0 0 "[ . 1 .]" 1
332 1 12 THR MG 1 19 CYS HB2 . . 4.470 2.711 2.245 3.200 . 0 0 "[ . 1 .]" 1
333 1 12 THR MG 1 19 CYS HB3 . . 4.470 2.874 1.972 3.458 . 0 0 "[ . 1 .]" 1
334 1 12 THR MG 1 58 PRO HB2 . . 4.140 3.331 2.830 3.690 . 0 0 "[ . 1 .]" 1
335 1 10 ILE MG 1 12 THR MG . . 3.680 2.189 1.902 3.410 . 0 0 "[ . 1 .]" 1
336 1 36 ILE MG 1 44 LEU MD1 . . 2.980 2.097 1.868 2.981 0.001 10 0 "[ . 1 .]" 1
337 1 36 ILE MG 1 44 LEU MD2 . . 2.980 2.248 1.764 2.991 0.011 11 0 "[ . 1 .]" 1
338 1 36 ILE MG 1 44 LEU HG . . 4.160 3.234 1.919 4.157 . 0 0 "[ . 1 .]" 1
339 1 36 ILE MG 1 38 ALA MB . . 3.990 3.682 3.494 3.969 . 0 0 "[ . 1 .]" 1
340 1 36 ILE MG 1 44 LEU HB2 . . 4.470 4.238 3.869 4.474 0.004 10 0 "[ . 1 .]" 1
341 1 11 TYR QD 1 36 ILE MG . . 3.920 3.440 2.986 3.920 0.000 11 0 "[ . 1 .]" 1
342 1 78 ASP HB3 1 79 GLU HA . . 4.260 3.988 3.896 4.114 . 0 0 "[ . 1 .]" 1
343 1 79 GLU HA 1 79 GLU HG2 . . 4.140 3.036 2.531 3.374 . 0 0 "[ . 1 .]" 1
344 1 79 GLU HB2 1 81 LYS H . . 4.250 3.584 2.877 3.931 . 0 0 "[ . 1 .]" 1
345 1 82 LEU HB2 1 86 LEU HB3 . . 4.850 4.685 4.307 4.856 0.006 8 0 "[ . 1 .]" 1
346 1 83 ASP HA 1 86 LEU HG . . 4.360 2.553 2.404 2.715 . 0 0 "[ . 1 .]" 1
347 1 17 PRO HA 1 18 TYR QD . . 4.540 3.923 3.309 4.910 0.370 12 0 "[ . 1 .]" 1
348 1 17 PRO HA 1 18 TYR QE . . 4.860 4.930 3.932 6.254 1.394 12 3 "[ . - 1 +* .]" 1
349 1 82 LEU MD1 1 86 LEU HG . . 3.340 3.343 3.271 3.360 0.020 6 0 "[ . 1 .]" 1
350 1 72 ASP HB3 1 75 ALA MB . . 5.500 4.071 3.835 4.566 . 0 0 "[ . 1 .]" 1
351 1 85 LEU H 1 85 LEU HG . . 4.690 4.463 4.432 4.485 . 0 0 "[ . 1 .]" 1
352 1 83 ASP HA 1 86 LEU HB3 . . 4.950 4.881 4.769 4.963 0.013 7 0 "[ . 1 .]" 1
353 1 83 ASP HA 1 86 LEU MD1 . . 4.710 3.125 2.938 3.241 . 0 0 "[ . 1 .]" 1
354 1 83 ASP HA 1 86 LEU MD2 . . 4.710 2.589 2.349 2.730 . 0 0 "[ . 1 .]" 1
355 1 8 VAL MG1 1 86 LEU HB3 . . 5.500 5.374 4.872 5.515 0.015 15 0 "[ . 1 .]" 1
356 1 26 LEU HA 1 26 LEU MD1 . . 4.520 3.876 3.826 3.921 . 0 0 "[ . 1 .]" 1
357 1 10 ILE MG 1 35 GLU HB2 . . 5.170 4.344 4.112 4.621 . 0 0 "[ . 1 .]" 1
358 1 38 ALA HA 1 41 THR MG . . 4.270 3.979 3.691 4.242 . 0 0 "[ . 1 .]" 1
359 1 41 THR MG 1 44 LEU MD1 . . 4.040 2.474 1.827 4.100 0.060 6 0 "[ . 1 .]" 1
360 1 41 THR MG 1 44 LEU HG . . 4.220 2.860 1.899 4.117 . 0 0 "[ . 1 .]" 1
361 1 41 THR MG 1 42 PRO HD3 . . 4.820 4.715 4.699 4.721 . 0 0 "[ . 1 .]" 1
362 1 41 THR MG 1 42 PRO HD2 . . 4.260 3.915 3.867 3.930 . 0 0 "[ . 1 .]" 1
363 1 40 ALA HA 1 41 THR MG . . 4.750 4.450 4.026 4.705 . 0 0 "[ . 1 .]" 1
364 1 40 ALA MB 1 41 THR MG . . 3.390 2.692 2.330 2.867 . 0 0 "[ . 1 .]" 1
365 1 41 THR MG 1 44 LEU MD2 . . 4.040 2.860 1.845 3.697 . 0 0 "[ . 1 .]" 1
366 1 41 THR H 1 41 THR MG . . 4.100 2.248 2.029 2.656 . 0 0 "[ . 1 .]" 1
367 1 40 ALA H 1 41 THR MG . . 4.470 3.309 2.968 3.451 . 0 0 "[ . 1 .]" 1
368 1 41 THR MG 1 43 GLU H . . 4.340 3.265 3.199 3.313 . 0 0 "[ . 1 .]" 1
369 1 41 THR HA 1 42 PRO HD3 . . 4.060 2.278 2.268 2.304 . 0 0 "[ . 1 .]" 1
370 1 41 THR MG 1 42 PRO HG2 . . 5.390 5.255 5.239 5.281 . 0 0 "[ . 1 .]" 1
371 1 42 PRO HG3 1 43 GLU H . . 4.600 4.279 4.195 4.395 . 0 0 "[ . 1 .]" 1
372 1 42 PRO HG2 1 43 GLU H . . 4.750 2.901 2.790 3.054 . 0 0 "[ . 1 .]" 1
373 1 43 GLU H 1 43 GLU HG3 . . 4.810 3.727 2.485 4.564 . 0 0 "[ . 1 .]" 1
374 1 87 LYS HA 1 87 LYS HE2 . . 4.970 3.349 2.093 4.624 . 0 0 "[ . 1 .]" 1
375 1 87 LYS HA 1 87 LYS HE3 . . 4.970 2.787 2.067 3.939 . 0 0 "[ . 1 .]" 1
376 1 55 ASN HB2 1 56 THR H . . 4.820 4.273 3.871 4.618 . 0 0 "[ . 1 .]" 1
377 1 56 THR HB 1 57 PHE H . . 4.270 3.374 1.972 4.152 . 0 0 "[ . 1 .]" 1
378 1 56 THR HA 1 56 THR MG . . 3.620 2.453 2.138 3.188 . 0 0 "[ . 1 .]" 1
379 1 11 TYR QE 1 36 ILE MG . . 4.720 3.467 2.961 4.162 . 0 0 "[ . 1 .]" 1
380 1 73 LEU MD1 1 74 TYR QE . . 5.500 5.271 3.055 5.514 0.014 14 0 "[ . 1 .]" 1
381 1 73 LEU MD2 1 74 TYR QE . . 5.500 3.629 2.727 5.533 0.033 15 0 "[ . 1 .]" 1
382 1 26 LEU MD1 1 34 ASN H . . 5.500 4.930 4.537 5.184 . 0 0 "[ . 1 .]" 1
383 1 26 LEU MD2 1 33 PHE QD . . 4.500 2.429 1.952 3.006 . 0 0 "[ . 1 .]" 1
384 1 86 LEU H 1 86 LEU MD2 . . 4.800 3.163 3.008 3.225 . 0 0 "[ . 1 .]" 1
385 1 4 SER HB2 1 5 MET H . . 4.820 3.785 2.427 4.508 . 0 0 "[ . 1 .]" 1
386 1 4 SER HB3 1 5 MET H . . 4.820 3.553 2.079 4.440 . 0 0 "[ . 1 .]" 1
387 1 76 LEU MD1 1 81 LYS HB3 . . 4.480 4.139 3.462 4.483 0.003 6 0 "[ . 1 .]" 1
388 1 38 ALA MB 1 44 LEU MD2 . . 4.740 4.177 2.840 4.735 . 0 0 "[ . 1 .]" 1
389 1 44 LEU HB3 1 44 LEU MD2 . . 3.420 2.532 2.062 3.192 . 0 0 "[ . 1 .]" 1
390 1 44 LEU H 1 44 LEU MD2 . . 4.360 3.233 1.916 3.828 . 0 0 "[ . 1 .]" 1
391 1 67 VAL MG2 1 72 ASP HB3 . . 5.350 3.778 1.994 4.881 . 0 0 "[ . 1 .]" 1
392 1 9 ILE HG13 1 61 PHE HB3 . . 5.500 5.149 4.446 5.390 . 0 0 "[ . 1 .]" 1
393 1 9 ILE HG13 1 61 PHE HB2 . . 5.500 5.184 4.730 5.520 0.020 15 0 "[ . 1 .]" 1
394 1 10 ILE MG 1 58 PRO HG3 . . 4.780 4.791 4.780 4.812 0.032 10 0 "[ . 1 .]" 1
395 1 60 ILE MD 1 73 LEU HB2 . . 4.170 3.750 3.288 4.055 . 0 0 "[ . 1 .]" 1
396 1 22 ALA MB 1 60 ILE MD . . 2.850 2.156 1.922 2.453 . 0 0 "[ . 1 .]" 1
397 1 87 LYS H 1 87 LYS HG3 . . 4.800 4.538 4.345 4.665 . 0 0 "[ . 1 .]" 1
398 1 87 LYS H 1 87 LYS HG2 . . 4.800 4.412 4.214 4.701 . 0 0 "[ . 1 .]" 1
399 1 92 ILE HA 1 92 ILE MG . . 3.530 2.694 2.339 3.292 . 0 0 "[ . 1 .]" 1
400 1 92 ILE HA 1 92 ILE MD . . 3.940 3.186 2.133 3.943 0.003 1 0 "[ . 1 .]" 1
401 1 92 ILE HB 1 92 ILE MD . . 3.750 2.580 2.256 3.310 . 0 0 "[ . 1 .]" 1
402 1 92 ILE H 1 92 ILE MD . . 4.490 3.698 2.322 4.663 0.173 3 0 "[ . 1 .]" 1
403 1 92 ILE H 1 92 ILE MG . . 4.100 3.360 2.041 3.853 . 0 0 "[ . 1 .]" 1
404 1 34 ASN HD21 1 36 ILE MD . . 4.660 3.738 1.996 4.328 . 0 0 "[ . 1 .]" 1
405 1 47 GLU HA 1 50 GLU HB3 . . 4.060 3.954 3.655 4.073 0.013 8 0 "[ . 1 .]" 1
406 1 18 TYR HA 1 20 ALA MB . . 5.500 3.819 3.677 4.171 . 0 0 "[ . 1 .]" 1
407 1 50 GLU HA 1 50 GLU HG2 . . 4.130 3.602 3.069 3.820 . 0 0 "[ . 1 .]" 1
408 1 76 LEU HB3 1 77 GLU H . . 3.770 3.644 3.457 3.757 . 0 0 "[ . 1 .]" 1
409 1 67 VAL MG2 1 73 LEU HB2 . . 4.610 4.411 3.760 4.644 0.034 15 0 "[ . 1 .]" 1
410 1 76 LEU HA 1 80 GLY H . . 5.070 4.016 3.804 4.207 . 0 0 "[ . 1 .]" 1
411 1 76 LEU HB2 1 76 LEU MD1 . . 3.180 2.300 2.189 2.392 . 0 0 "[ . 1 .]" 1
412 1 76 LEU HB2 1 82 LEU HB3 . . 4.610 4.281 3.919 4.622 0.012 7 0 "[ . 1 .]" 1
413 1 76 LEU HB3 1 82 LEU HB3 . . 4.750 4.334 3.918 4.749 . 0 0 "[ . 1 .]" 1
414 1 9 ILE MG 1 34 ASN HD21 . . 4.390 2.453 2.144 2.795 . 0 0 "[ . 1 .]" 1
415 1 46 ALA HA 1 49 GLN HB2 . . 3.780 3.284 2.848 3.951 0.171 11 0 "[ . 1 .]" 1
416 1 10 ILE HB 1 10 ILE MD . . 3.280 2.342 2.265 2.394 . 0 0 "[ . 1 .]" 1
417 1 25 LEU HB3 1 25 LEU MD1 . . 3.630 2.992 2.651 3.195 . 0 0 "[ . 1 .]" 1
418 1 91 LEU H 1 92 ILE H . . 4.090 2.380 2.097 2.846 . 0 0 "[ . 1 .]" 1
419 1 90 LYS H 1 91 LEU H . . 4.770 4.403 4.264 4.541 . 0 0 "[ . 1 .]" 1
420 1 90 LYS HA 1 91 LEU H . . 2.700 2.283 2.153 2.548 . 0 0 "[ . 1 .]" 1
421 1 89 GLY H 1 90 LYS H . . 3.480 3.201 2.405 3.488 0.008 12 0 "[ . 1 .]" 1
422 1 88 THR H 1 90 LYS H . . 5.460 5.048 4.456 5.421 . 0 0 "[ . 1 .]" 1
423 1 90 LYS H 1 92 ILE H . . 5.500 5.400 5.001 5.735 0.235 6 0 "[ . 1 .]" 1
424 1 90 LYS H 1 90 LYS HG2 . . 5.110 4.242 2.238 4.989 . 0 0 "[ . 1 .]" 1
425 1 90 LYS H 1 90 LYS HG3 . . 5.110 4.275 2.648 4.823 . 0 0 "[ . 1 .]" 1
426 1 87 LYS H 1 89 GLY H . . 4.340 3.710 3.552 3.938 . 0 0 "[ . 1 .]" 1
427 1 87 LYS HB3 1 89 GLY H . . 4.670 4.437 4.068 4.677 0.007 1 0 "[ . 1 .]" 1
428 1 88 THR MG 1 89 GLY H . . 4.230 2.885 1.975 3.731 . 0 0 "[ . 1 .]" 1
429 1 86 LEU H 1 88 THR H . . 4.650 4.135 3.857 4.376 . 0 0 "[ . 1 .]" 1
430 1 88 THR H 1 89 GLY H . . 3.050 1.978 1.891 2.139 . 0 0 "[ . 1 .]" 1
431 1 87 LYS H 1 88 THR H . . 3.300 2.282 2.139 2.475 . 0 0 "[ . 1 .]" 1
432 1 87 LYS HB3 1 88 THR H . . 3.380 2.824 2.635 3.027 . 0 0 "[ . 1 .]" 1
433 1 88 THR H 1 88 THR MG . . 3.330 2.573 2.192 3.036 . 0 0 "[ . 1 .]" 1
434 1 87 LYS H 1 87 LYS HB3 . . 3.000 2.749 2.400 3.019 0.019 1 0 "[ . 1 .]" 1
435 1 87 LYS H 1 87 LYS HB2 . . 3.270 2.496 2.295 2.834 . 0 0 "[ . 1 .]" 1
436 1 86 LEU HG 1 87 LYS H . . 3.300 2.843 2.654 2.989 . 0 0 "[ . 1 .]" 1
437 1 86 LEU H 1 87 LYS H . . 3.040 2.425 2.272 2.509 . 0 0 "[ . 1 .]" 1
438 1 83 ASP HA 1 86 LEU H . . 3.930 3.800 3.615 3.943 0.013 4 0 "[ . 1 .]" 1
439 1 83 ASP H 1 84 SER H . . 3.390 2.919 2.785 3.012 . 0 0 "[ . 1 .]" 1
440 1 84 SER H 1 85 LEU H . . 3.260 2.540 2.268 2.675 . 0 0 "[ . 1 .]" 1
441 1 85 LEU H 1 85 LEU HB3 . . 2.910 2.282 2.223 2.412 . 0 0 "[ . 1 .]" 1
442 1 85 LEU H 1 85 LEU HB2 . . 3.160 2.789 2.614 2.865 . 0 0 "[ . 1 .]" 1
443 1 82 LEU H 1 83 ASP H . . 3.170 2.378 2.274 2.800 . 0 0 "[ . 1 .]" 1
444 1 81 LYS H 1 82 LEU H . . 3.070 2.387 2.226 2.591 . 0 0 "[ . 1 .]" 1
445 1 82 LEU H 1 82 LEU HB3 . . 3.080 2.584 2.293 2.724 . 0 0 "[ . 1 .]" 1
446 1 82 LEU H 1 82 LEU HG . . 3.600 2.279 2.021 2.732 . 0 0 "[ . 1 .]" 1
447 1 82 LEU H 1 82 LEU HB2 . . 3.710 3.624 3.547 3.647 . 0 0 "[ . 1 .]" 1
448 1 82 LEU H 1 82 LEU MD2 . . 3.720 3.150 3.060 3.209 . 0 0 "[ . 1 .]" 1
449 1 82 LEU H 1 82 LEU MD1 . . 4.290 3.734 3.564 4.022 . 0 0 "[ . 1 .]" 1
450 1 81 LYS H 1 81 LYS HB2 . . 3.470 2.675 2.484 2.840 . 0 0 "[ . 1 .]" 1
451 1 76 LEU HB2 1 81 LYS H . . 5.010 4.644 4.432 4.890 . 0 0 "[ . 1 .]" 1
452 1 79 GLU H 1 80 GLY H . . 3.260 2.591 2.442 2.662 . 0 0 "[ . 1 .]" 1
453 1 78 ASP HB2 1 80 GLY H . . 5.320 4.845 4.697 5.075 . 0 0 "[ . 1 .]" 1
454 1 79 GLU HB2 1 80 GLY H . . 4.150 2.926 2.871 3.096 . 0 0 "[ . 1 .]" 1
455 1 78 ASP H 1 79 GLU H . . 3.380 2.632 2.409 2.810 . 0 0 "[ . 1 .]" 1
456 1 77 GLU H 1 79 GLU H . . 4.530 4.409 4.104 4.563 0.033 15 0 "[ . 1 .]" 1
457 1 16 CYS H 1 16 CYS HB2 . . 3.920 3.504 3.147 4.045 0.125 4 0 "[ . 1 .]" 1
458 1 16 CYS H 1 16 CYS HB3 . . 3.920 3.861 3.235 4.133 0.213 1 0 "[ . 1 .]" 1
459 1 76 LEU H 1 79 GLU H . . 5.200 4.900 4.658 5.088 . 0 0 "[ . 1 .]" 1
460 1 76 LEU HA 1 79 GLU H . . 3.850 3.464 3.252 3.724 . 0 0 "[ . 1 .]" 1
461 1 78 ASP HB3 1 79 GLU H . . 3.470 3.082 2.834 3.414 . 0 0 "[ . 1 .]" 1
462 1 79 GLU H 1 79 GLU HG3 . . 4.060 3.375 2.314 3.532 . 0 0 "[ . 1 .]" 1
463 1 79 GLU H 1 79 GLU HB2 . . 3.130 2.605 2.473 2.710 . 0 0 "[ . 1 .]" 1
464 1 78 ASP H 1 81 LYS H . . 5.350 5.012 4.870 5.138 . 0 0 "[ . 1 .]" 1
465 1 77 GLU H 1 78 ASP H . . 3.230 2.679 2.625 2.760 . 0 0 "[ . 1 .]" 1
466 1 78 ASP H 1 78 ASP HB3 . . 3.510 3.484 3.442 3.512 0.002 6 0 "[ . 1 .]" 1
467 1 75 ALA MB 1 78 ASP H . . 4.750 4.552 4.487 4.638 . 0 0 "[ . 1 .]" 1
468 1 78 ASP H 1 82 LEU MD2 . . 5.120 4.913 4.630 5.129 0.009 10 0 "[ . 1 .]" 1
469 1 77 GLU H 1 81 LYS H . . 4.910 4.684 4.495 4.927 0.017 15 0 "[ . 1 .]" 1
470 1 19 CYS H 1 20 ALA H . . 4.250 2.802 2.045 3.217 . 0 0 "[ . 1 .]" 1
471 1 74 TYR HA 1 77 GLU H . . 3.870 3.435 3.270 3.625 . 0 0 "[ . 1 .]" 1
472 1 77 GLU H 1 78 ASP HB2 . . 4.680 4.597 4.549 4.682 0.002 11 0 "[ . 1 .]" 1
473 1 77 GLU H 1 77 GLU HB2 . . 3.350 2.577 2.082 2.698 . 0 0 "[ . 1 .]" 1
474 1 77 GLU H 1 77 GLU HB3 . . 3.350 2.610 2.361 3.590 0.240 7 0 "[ . 1 .]" 1
475 1 77 GLU H 1 82 LEU HB3 . . 4.100 3.990 3.706 4.128 0.028 15 0 "[ . 1 .]" 1
476 1 75 ALA MB 1 77 GLU H . . 4.840 4.503 4.401 4.619 . 0 0 "[ . 1 .]" 1
477 1 75 ALA H 1 76 LEU H . . 3.210 2.797 2.603 2.901 . 0 0 "[ . 1 .]" 1
478 1 72 ASP HA 1 76 LEU H . . 4.450 4.165 3.828 4.451 0.001 10 0 "[ . 1 .]" 1
479 1 76 LEU H 1 78 ASP HB2 . . 5.140 5.088 4.881 5.143 0.003 12 0 "[ . 1 .]" 1
480 1 72 ASP HB3 1 76 LEU H . . 5.500 4.939 4.422 5.315 . 0 0 "[ . 1 .]" 1
481 1 76 LEU H 1 76 LEU HG . . 3.110 2.185 2.020 2.307 . 0 0 "[ . 1 .]" 1
482 1 76 LEU H 1 76 LEU MD1 . . 3.840 3.560 3.439 3.631 . 0 0 "[ . 1 .]" 1
483 1 76 LEU H 1 76 LEU HB2 . . 3.670 2.519 2.446 2.619 . 0 0 "[ . 1 .]" 1
484 1 74 TYR H 1 75 ALA H . . 3.580 2.499 2.386 2.634 . 0 0 "[ . 1 .]" 1
485 1 74 TYR HB2 1 75 ALA H . . 3.480 2.903 2.794 3.111 . 0 0 "[ . 1 .]" 1
486 1 72 ASP HB2 1 75 ALA H . . 5.500 5.486 5.381 5.505 0.005 2 0 "[ . 1 .]" 1
487 1 72 ASP HB3 1 75 ALA H . . 5.500 5.130 4.882 5.211 . 0 0 "[ . 1 .]" 1
488 1 75 ALA H 1 76 LEU HG . . 4.590 4.476 4.237 4.592 0.002 2 0 "[ . 1 .]" 1
489 1 73 LEU HB3 1 75 ALA H . . 5.300 5.025 4.688 5.167 . 0 0 "[ . 1 .]" 1
490 1 75 ALA H 1 75 ALA MB . . 2.810 2.174 2.076 2.209 . 0 0 "[ . 1 .]" 1
491 1 75 ALA H 1 76 LEU MD1 . . 5.500 5.356 5.165 5.501 0.001 1 0 "[ . 1 .]" 1
492 1 74 TYR H 1 76 LEU H . . 4.380 4.265 4.117 4.383 0.003 10 0 "[ . 1 .]" 1
493 1 73 LEU H 1 74 TYR H . . 3.660 2.766 2.557 2.855 . 0 0 "[ . 1 .]" 1
494 1 72 ASP HA 1 74 TYR H . . 4.270 4.196 3.863 4.289 0.019 15 0 "[ . 1 .]" 1
495 1 74 TYR H 1 74 TYR HB2 . . 3.170 2.176 2.150 2.196 . 0 0 "[ . 1 .]" 1
496 1 72 ASP HB2 1 74 TYR H . . 5.500 5.144 4.950 5.486 . 0 0 "[ . 1 .]" 1
497 1 72 ASP HB3 1 74 TYR H . . 5.500 5.353 4.825 5.495 . 0 0 "[ . 1 .]" 1
498 1 73 LEU HB3 1 74 TYR H . . 3.620 2.723 2.459 2.938 . 0 0 "[ . 1 .]" 1
499 1 73 LEU HB2 1 74 TYR H . . 4.230 4.008 3.637 4.158 . 0 0 "[ . 1 .]" 1
500 1 72 ASP H 1 73 LEU H . . 3.520 2.461 2.359 2.580 . 0 0 "[ . 1 .]" 1
501 1 73 LEU H 1 74 TYR HB2 . . 4.780 4.704 4.478 4.808 0.028 15 0 "[ . 1 .]" 1
502 1 72 ASP HB2 1 73 LEU H . . 3.660 2.781 2.546 3.608 . 0 0 "[ . 1 .]" 1
503 1 72 ASP HB3 1 73 LEU H . . 3.960 3.397 2.625 3.675 . 0 0 "[ . 1 .]" 1
504 1 73 LEU H 1 73 LEU HB3 . . 3.290 2.375 2.248 2.793 . 0 0 "[ . 1 .]" 1
505 1 73 LEU H 1 73 LEU HB2 . . 3.230 2.653 2.253 2.808 . 0 0 "[ . 1 .]" 1
506 1 73 LEU H 1 75 ALA MB . . 5.000 4.682 4.477 4.850 . 0 0 "[ . 1 .]" 1
507 1 67 VAL MG2 1 73 LEU H . . 5.260 4.714 3.166 5.268 0.008 3 0 "[ . 1 .]" 1
508 1 69 GLY H 1 72 ASP H . . 4.540 3.357 2.684 4.554 0.014 10 0 "[ . 1 .]" 1
509 1 72 ASP H 1 72 ASP HB2 . . 3.010 2.329 2.193 2.423 . 0 0 "[ . 1 .]" 1
510 1 70 SER H 1 73 LEU H . . 5.070 4.786 4.564 5.078 0.008 11 0 "[ . 1 .]" 1
511 1 58 PRO HG2 1 70 SER H . . 4.670 4.239 3.644 4.685 0.015 10 0 "[ . 1 .]" 1
512 1 22 ALA MB 1 70 SER H . . 5.030 4.148 3.249 5.032 0.002 10 0 "[ . 1 .]" 1
513 1 69 GLY H 1 72 ASP HB2 . . 3.590 2.939 2.413 3.603 0.013 10 0 "[ . 1 .]" 1
514 1 67 VAL H 1 68 GLY H . . 4.240 4.179 3.642 4.396 0.156 14 0 "[ . 1 .]" 1
515 1 67 VAL HB 1 68 GLY H . . 4.500 4.188 3.936 4.511 0.011 10 0 "[ . 1 .]" 1
516 1 67 VAL MG2 1 68 GLY H . . 4.350 3.800 2.233 4.116 . 0 0 "[ . 1 .]" 1
517 1 61 PHE QD 1 67 VAL H . . 4.680 4.271 3.640 4.680 0.000 1 0 "[ . 1 .]" 1
518 1 61 PHE HA 1 67 VAL H . . 3.760 3.496 3.111 3.774 0.014 13 0 "[ . 1 .]" 1
519 1 66 HIS HA 1 67 VAL H . . 3.170 2.196 2.140 2.302 . 0 0 "[ . 1 .]" 1
520 1 67 VAL H 1 67 VAL HB . . 3.410 2.935 2.595 3.413 0.003 4 0 "[ . 1 .]" 1
521 1 67 VAL H 1 67 VAL MG2 . . 4.080 3.148 2.726 3.931 . 0 0 "[ . 1 .]" 1
522 1 65 VAL H 1 66 HIS H . . 4.810 4.439 3.922 4.541 . 0 0 "[ . 1 .]" 1
523 1 65 VAL HA 1 66 HIS H . . 2.970 2.230 2.165 2.274 . 0 0 "[ . 1 .]" 1
524 1 66 HIS H 1 66 HIS HB3 . . 3.510 2.763 2.688 2.853 . 0 0 "[ . 1 .]" 1
525 1 65 VAL MG1 1 66 HIS H . . 4.360 2.442 1.960 3.566 . 0 0 "[ . 1 .]" 1
526 1 64 SER H 1 65 VAL H . . 3.380 2.613 2.159 2.948 . 0 0 "[ . 1 .]" 1
527 1 65 VAL H 1 65 VAL HB . . 2.970 2.690 2.508 2.936 . 0 0 "[ . 1 .]" 1
528 1 65 VAL H 1 65 VAL MG2 . . 4.060 2.866 2.405 3.892 . 0 0 "[ . 1 .]" 1
529 1 65 VAL H 1 65 VAL MG1 . . 4.060 3.624 2.066 3.907 . 0 0 "[ . 1 .]" 1
530 1 64 SER H 1 65 VAL HB . . 5.300 4.482 3.729 5.039 . 0 0 "[ . 1 .]" 1
531 1 7 ASP H 1 63 GLY H . . 4.480 3.515 2.956 4.460 . 0 0 "[ . 1 .]" 1
532 1 8 VAL HA 1 63 GLY H . . 3.800 3.722 3.414 3.816 0.016 6 0 "[ . 1 .]" 1
533 1 62 ILE HA 1 63 GLY H . . 3.000 2.166 2.143 2.220 . 0 0 "[ . 1 .]" 1
534 1 62 ILE HB 1 63 GLY H . . 4.230 3.774 3.316 4.310 0.080 14 0 "[ . 1 .]" 1
535 1 62 ILE H 1 65 VAL H . . 4.280 3.313 2.769 3.670 . 0 0 "[ . 1 .]" 1
536 1 61 PHE HA 1 62 ILE H . . 2.980 2.182 2.139 2.252 . 0 0 "[ . 1 .]" 1
537 1 61 PHE HB3 1 62 ILE H . . 3.900 3.370 3.005 3.885 . 0 0 "[ . 1 .]" 1
538 1 62 ILE H 1 62 ILE HB . . 3.860 3.553 2.995 3.837 . 0 0 "[ . 1 .]" 1
539 1 62 ILE H 1 62 ILE MG . . 4.280 3.471 3.124 3.993 . 0 0 "[ . 1 .]" 1
540 1 9 ILE H 1 61 PHE H . . 3.690 3.048 2.731 3.389 . 0 0 "[ . 1 .]" 1
541 1 61 PHE H 1 61 PHE QD . . 3.820 3.730 3.370 3.844 0.024 13 0 "[ . 1 .]" 1
542 1 60 ILE HA 1 61 PHE H . . 2.950 2.229 2.140 2.281 . 0 0 "[ . 1 .]" 1
543 1 61 PHE H 1 61 PHE HB2 . . 3.420 2.601 2.323 2.728 . 0 0 "[ . 1 .]" 1
544 1 60 ILE HB 1 61 PHE H . . 4.460 3.917 3.697 4.296 . 0 0 "[ . 1 .]" 1
545 1 9 ILE HB 1 61 PHE H . . 4.380 4.072 3.284 4.386 0.006 10 0 "[ . 1 .]" 1
546 1 59 GLN HA 1 60 ILE H . . 3.250 2.177 2.139 2.293 . 0 0 "[ . 1 .]" 1
547 1 60 ILE H 1 60 ILE HB . . 3.300 2.578 2.465 2.654 . 0 0 "[ . 1 .]" 1
548 1 11 TYR H 1 59 GLN H . . 4.190 2.964 2.565 3.191 . 0 0 "[ . 1 .]" 1
549 1 58 PRO HA 1 59 GLN H . . 3.530 2.493 2.338 2.637 . 0 0 "[ . 1 .]" 1
550 1 58 PRO HB3 1 59 GLN H . . 4.300 3.352 3.210 3.541 . 0 0 "[ . 1 .]" 1
551 1 11 TYR HB2 1 59 GLN H . . 3.810 2.709 1.943 3.523 . 0 0 "[ . 1 .]" 1
552 1 10 ILE MG 1 59 GLN H . . 5.500 5.458 5.281 5.510 0.010 6 0 "[ . 1 .]" 1
553 1 57 PHE H 1 57 PHE QD . . 4.150 2.969 2.739 3.150 . 0 0 "[ . 1 .]" 1
554 1 55 ASN H 1 56 THR H . . 3.920 2.794 2.316 3.742 . 0 0 "[ . 1 .]" 1
555 1 55 ASN HB3 1 56 THR H . . 4.820 4.460 4.213 4.701 . 0 0 "[ . 1 .]" 1
556 1 54 ARG HB3 1 56 THR H . . 4.330 3.153 2.581 4.294 . 0 0 "[ . 1 .]" 1
557 1 54 ARG HB2 1 56 THR H . . 4.330 3.529 2.957 4.282 . 0 0 "[ . 1 .]" 1
558 1 56 THR H 1 56 THR MG . . 3.680 2.572 1.999 3.102 . 0 0 "[ . 1 .]" 1
559 1 54 ARG HB3 1 55 ASN H . . 4.360 2.903 1.912 4.294 . 0 0 "[ . 1 .]" 1
560 1 54 ARG HB2 1 55 ASN H . . 4.360 3.585 2.734 4.411 0.051 10 0 "[ . 1 .]" 1
561 1 51 ARG H 1 52 SER H . . 3.170 2.434 2.217 2.690 . 0 0 "[ . 1 .]" 1
562 1 49 GLN HA 1 52 SER H . . 4.680 3.692 3.139 4.636 . 0 0 "[ . 1 .]" 1
563 1 50 GLU HB3 1 52 SER H . . 4.980 4.716 4.307 4.980 0.000 3 0 "[ . 1 .]" 1
564 1 50 GLU H 1 51 ARG H . . 3.450 2.701 2.400 2.975 . 0 0 "[ . 1 .]" 1
565 1 49 GLN H 1 50 GLU H . . 3.270 2.595 2.479 2.780 . 0 0 "[ . 1 .]" 1
566 1 49 GLN HA 1 51 ARG H . . 4.670 4.401 4.014 4.635 . 0 0 "[ . 1 .]" 1
567 1 48 MET HA 1 51 ARG H . . 4.590 3.545 3.119 3.910 . 0 0 "[ . 1 .]" 1
568 1 50 GLU HB3 1 51 ARG H . . 3.240 2.532 2.262 2.723 . 0 0 "[ . 1 .]" 1
569 1 51 ARG H 1 51 ARG HB2 . . 3.040 2.407 2.211 2.655 . 0 0 "[ . 1 .]" 1
570 1 50 GLU H 1 50 GLU HB2 . . 3.110 2.609 2.463 2.829 . 0 0 "[ . 1 .]" 1
571 1 50 GLU H 1 50 GLU HB3 . . 3.250 2.471 2.351 2.588 . 0 0 "[ . 1 .]" 1
572 1 50 GLU H 1 51 ARG HB2 . . 5.500 4.933 4.424 5.140 . 0 0 "[ . 1 .]" 1
573 1 48 MET H 1 49 GLN H . . 3.550 2.517 2.236 2.690 . 0 0 "[ . 1 .]" 1
574 1 47 GLU HA 1 49 GLN H . . 4.320 4.138 3.902 4.345 0.025 11 0 "[ . 1 .]" 1
575 1 44 LEU HA 1 48 MET H . . 4.770 4.376 3.575 4.750 . 0 0 "[ . 1 .]" 1
576 1 48 MET H 1 48 MET HB3 . . 3.790 3.148 2.354 3.655 . 0 0 "[ . 1 .]" 1
577 1 48 MET H 1 48 MET HB2 . . 3.790 2.695 2.152 3.624 . 0 0 "[ . 1 .]" 1
578 1 44 LEU HA 1 47 GLU H . . 3.990 3.402 3.144 3.617 . 0 0 "[ . 1 .]" 1
579 1 46 ALA MB 1 47 GLU H . . 3.420 2.655 2.387 3.152 . 0 0 "[ . 1 .]" 1
580 1 46 ALA H 1 47 GLU H . . 3.140 2.615 2.319 2.890 . 0 0 "[ . 1 .]" 1
581 1 45 ARG HB3 1 46 ALA H . . 4.170 3.387 2.539 4.137 . 0 0 "[ . 1 .]" 1
582 1 46 ALA H 1 46 ALA MB . . 2.830 2.165 2.029 2.267 . 0 0 "[ . 1 .]" 1
583 1 45 ARG H 1 46 ALA H . . 3.170 2.751 2.687 2.856 . 0 0 "[ . 1 .]" 1
584 1 44 LEU HB3 1 45 ARG H . . 4.200 3.288 2.870 3.688 . 0 0 "[ . 1 .]" 1
585 1 44 LEU H 1 44 LEU HB2 . . 3.910 2.374 2.165 2.532 . 0 0 "[ . 1 .]" 1
586 1 44 LEU H 1 44 LEU HG . . 4.000 3.125 2.328 4.037 0.037 6 0 "[ . 1 .]" 1
587 1 44 LEU H 1 44 LEU MD1 . . 4.360 3.302 1.945 3.842 . 0 0 "[ . 1 .]" 1
588 1 43 GLU H 1 44 LEU H . . 3.680 2.554 2.387 2.710 . 0 0 "[ . 1 .]" 1
589 1 41 THR HB 1 43 GLU H . . 4.160 3.979 3.838 4.054 . 0 0 "[ . 1 .]" 1
590 1 41 THR HA 1 43 GLU H . . 4.870 3.876 3.851 3.893 . 0 0 "[ . 1 .]" 1
591 1 42 PRO HD2 1 43 GLU H . . 3.550 2.775 2.729 2.847 . 0 0 "[ . 1 .]" 1
592 1 42 PRO HB3 1 43 GLU H . . 4.480 4.359 4.319 4.413 . 0 0 "[ . 1 .]" 1
593 1 40 ALA H 1 41 THR H . . 3.620 1.935 1.893 2.049 . 0 0 "[ . 1 .]" 1
594 1 38 ALA HA 1 41 THR H . . 4.610 4.209 3.933 4.619 0.009 3 0 "[ . 1 .]" 1
595 1 41 THR H 1 44 LEU HB2 . . 4.400 3.661 3.178 4.379 . 0 0 "[ . 1 .]" 1
596 1 38 ALA HA 1 40 ALA H . . 4.260 3.134 3.015 3.228 . 0 0 "[ . 1 .]" 1
597 1 40 ALA H 1 40 ALA MB . . 3.090 2.441 2.353 2.577 . 0 0 "[ . 1 .]" 1
598 1 39 SER H 1 40 ALA H . . 3.360 2.622 2.600 2.673 . 0 0 "[ . 1 .]" 1
599 1 39 SER H 1 41 THR H . . 4.670 3.862 3.612 4.015 . 0 0 "[ . 1 .]" 1
600 1 39 SER H 1 39 SER HB2 . . 4.070 3.282 3.083 3.890 . 0 0 "[ . 1 .]" 1
601 1 39 SER H 1 39 SER HB3 . . 4.070 3.754 3.031 3.996 . 0 0 "[ . 1 .]" 1
602 1 38 ALA MB 1 39 SER H . . 4.370 2.081 2.011 2.263 . 0 0 "[ . 1 .]" 1
603 1 39 SER H 1 44 LEU HB3 . . 4.970 4.419 3.537 4.958 . 0 0 "[ . 1 .]" 1
604 1 12 THR H 1 38 ALA H . . 4.950 4.747 4.453 4.952 0.002 3 0 "[ . 1 .]" 1
605 1 37 ASP HA 1 38 ALA H . . 3.300 2.179 2.142 2.253 . 0 0 "[ . 1 .]" 1
606 1 36 ILE HA 1 37 ASP H . . 2.860 2.156 2.138 2.225 . 0 0 "[ . 1 .]" 1
607 1 37 ASP H 1 37 ASP HB2 . . 3.810 2.917 2.225 3.596 . 0 0 "[ . 1 .]" 1
608 1 37 ASP H 1 37 ASP HB3 . . 3.810 3.246 2.731 3.663 . 0 0 "[ . 1 .]" 1
609 1 37 ASP H 1 40 ALA MB . . 5.500 5.319 4.631 5.517 0.017 11 0 "[ . 1 .]" 1
610 1 11 TYR HA 1 36 ILE H . . 4.330 3.209 2.947 3.655 . 0 0 "[ . 1 .]" 1
611 1 35 GLU HA 1 36 ILE H . . 3.150 2.312 2.184 2.368 . 0 0 "[ . 1 .]" 1
612 1 35 GLU HB2 1 36 ILE H . . 4.570 3.748 3.575 3.926 . 0 0 "[ . 1 .]" 1
613 1 35 GLU HB3 1 36 ILE H . . 4.570 2.684 2.509 3.110 . 0 0 "[ . 1 .]" 1
614 1 36 ILE H 1 36 ILE HB . . 3.680 2.758 2.562 2.876 . 0 0 "[ . 1 .]" 1
615 1 10 ILE MG 1 36 ILE H . . 4.000 3.518 3.221 3.781 . 0 0 "[ . 1 .]" 1
616 1 34 ASN HD22 1 35 GLU H . . 5.400 4.825 4.315 5.321 . 0 0 "[ . 1 .]" 1
617 1 34 ASN HB2 1 35 GLU H . . 4.740 4.182 4.088 4.339 . 0 0 "[ . 1 .]" 1
618 1 34 ASN HB3 1 35 GLU H . . 5.110 4.294 4.126 4.384 . 0 0 "[ . 1 .]" 1
619 1 35 GLU H 1 35 GLU HB3 . . 3.680 3.614 3.536 3.674 . 0 0 "[ . 1 .]" 1
620 1 33 PHE H 1 34 ASN H . . 4.920 4.371 4.271 4.478 . 0 0 "[ . 1 .]" 1
621 1 33 PHE HA 1 34 ASN H . . 3.140 2.343 2.249 2.565 . 0 0 "[ . 1 .]" 1
622 1 33 PHE HB3 1 34 ASN H . . 3.830 3.727 3.465 3.832 0.002 9 0 "[ . 1 .]" 1
623 1 8 VAL HB 1 34 ASN H . . 4.670 4.514 4.086 4.676 0.006 12 0 "[ . 1 .]" 1
624 1 9 ILE MG 1 34 ASN H . . 4.640 3.437 3.178 3.970 . 0 0 "[ . 1 .]" 1
625 1 10 ILE MG 1 34 ASN H . . 4.860 3.316 2.929 3.669 . 0 0 "[ . 1 .]" 1
626 1 33 PHE H 1 33 PHE QE . . 4.490 4.253 3.947 4.468 . 0 0 "[ . 1 .]" 1
627 1 32 GLU HA 1 33 PHE H . . 2.620 2.250 2.137 2.366 . 0 0 "[ . 1 .]" 1
628 1 32 GLU HB2 1 33 PHE H . . 4.600 3.911 2.575 4.207 . 0 0 "[ . 1 .]" 1
629 1 32 GLU HG3 1 33 PHE H . . 4.670 3.145 2.069 4.528 . 0 0 "[ . 1 .]" 1
630 1 31 ALA MB 1 33 PHE H . . 5.500 5.111 4.648 5.414 . 0 0 "[ . 1 .]" 1
631 1 31 ALA HA 1 32 GLU H . . 2.750 2.398 2.270 2.474 . 0 0 "[ . 1 .]" 1
632 1 32 GLU H 1 32 GLU HB2 . . 3.710 2.831 2.239 3.692 . 0 0 "[ . 1 .]" 1
633 1 31 ALA MB 1 32 GLU H . . 3.650 2.449 2.227 2.717 . 0 0 "[ . 1 .]" 1
634 1 31 ALA H 1 33 PHE QE . . 5.140 4.921 4.529 5.142 0.002 15 0 "[ . 1 .]" 1
635 1 31 ALA H 1 31 ALA MB . . 3.100 2.134 2.033 2.209 . 0 0 "[ . 1 .]" 1
636 1 41 THR MG 1 44 LEU H . . 3.440 2.497 2.234 3.166 . 0 0 "[ . 1 .]" 1
637 1 29 LYS H 1 30 GLY H . . 2.930 2.336 2.033 2.567 . 0 0 "[ . 1 .]" 1
638 1 27 ALA HA 1 30 GLY H . . 3.880 3.304 2.865 3.657 . 0 0 "[ . 1 .]" 1
639 1 28 ARG HA 1 30 GLY H . . 4.290 3.929 3.669 4.290 0.000 5 0 "[ . 1 .]" 1
640 1 29 LYS HB2 1 30 GLY H . . 4.370 4.104 3.212 4.376 0.006 4 0 "[ . 1 .]" 1
641 1 26 LEU HA 1 29 LYS H . . 3.970 3.663 3.387 3.865 . 0 0 "[ . 1 .]" 1
642 1 29 LYS H 1 29 LYS HG3 . . 3.750 2.796 2.121 3.510 . 0 0 "[ . 1 .]" 1
643 1 29 LYS H 1 29 LYS HB2 . . 3.890 3.406 2.549 3.725 . 0 0 "[ . 1 .]" 1
644 1 29 LYS H 1 29 LYS HB3 . . 4.130 3.258 2.772 3.730 . 0 0 "[ . 1 .]" 1
645 1 29 LYS H 1 29 LYS HG2 . . 3.750 2.289 1.938 3.506 . 0 0 "[ . 1 .]" 1
646 1 27 ALA H 1 28 ARG H . . 3.280 2.406 2.257 2.666 . 0 0 "[ . 1 .]" 1
647 1 28 ARG H 1 29 LYS H . . 3.250 2.517 2.416 2.760 . 0 0 "[ . 1 .]" 1
648 1 25 LEU HA 1 28 ARG H . . 3.540 3.217 3.067 3.477 . 0 0 "[ . 1 .]" 1
649 1 28 ARG H 1 28 ARG HB3 . . 3.280 2.686 2.416 2.861 . 0 0 "[ . 1 .]" 1
650 1 28 ARG H 1 28 ARG HB2 . . 3.280 2.415 2.228 2.688 . 0 0 "[ . 1 .]" 1
651 1 26 LEU H 1 27 ALA H . . 3.300 2.732 2.675 2.829 . 0 0 "[ . 1 .]" 1
652 1 26 LEU H 1 28 ARG H . . 5.130 4.107 3.967 4.343 . 0 0 "[ . 1 .]" 1
653 1 25 LEU H 1 26 LEU H . . 3.350 2.751 2.383 2.932 . 0 0 "[ . 1 .]" 1
654 1 23 LYS HA 1 26 LEU H . . 4.040 3.507 3.155 3.751 . 0 0 "[ . 1 .]" 1
655 1 26 LEU H 1 26 LEU HG . . 2.860 2.443 2.190 2.717 . 0 0 "[ . 1 .]" 1
656 1 25 LEU HB2 1 26 LEU H . . 4.280 3.846 3.659 3.948 . 0 0 "[ . 1 .]" 1
657 1 25 LEU MD2 1 26 LEU H . . 4.970 3.426 2.495 4.209 . 0 0 "[ . 1 .]" 1
658 1 26 LEU H 1 26 LEU MD2 . . 4.070 3.812 3.576 3.995 . 0 0 "[ . 1 .]" 1
659 1 26 LEU H 1 26 LEU MD1 . . 4.070 3.238 3.048 3.387 . 0 0 "[ . 1 .]" 1
660 1 25 LEU MD1 1 26 LEU H . . 4.970 4.468 3.951 4.767 . 0 0 "[ . 1 .]" 1
661 1 25 LEU H 1 27 ALA H . . 4.370 3.993 3.833 4.128 . 0 0 "[ . 1 .]" 1
662 1 25 LEU HA 1 27 ALA H . . 4.310 4.018 3.801 4.308 . 0 0 "[ . 1 .]" 1
663 1 23 LYS HA 1 27 ALA H . . 4.520 4.086 3.341 4.520 0.000 10 0 "[ . 1 .]" 1
664 1 26 LEU MD1 1 27 ALA H . . 5.180 4.515 4.264 4.759 . 0 0 "[ . 1 .]" 1
665 1 24 ALA H 1 25 LEU H . . 3.460 2.940 2.700 3.070 . 0 0 "[ . 1 .]" 1
666 1 24 ALA MB 1 25 LEU H . . 2.890 2.368 2.075 2.638 . 0 0 "[ . 1 .]" 1
667 1 25 LEU H 1 25 LEU MD2 . . 4.450 4.093 3.784 4.244 . 0 0 "[ . 1 .]" 1
668 1 24 ALA H 1 26 LEU H . . 4.440 4.301 4.147 4.445 0.005 7 0 "[ . 1 .]" 1
669 1 22 ALA H 1 23 LYS H . . 3.820 2.792 2.670 2.994 . 0 0 "[ . 1 .]" 1
670 1 24 ALA H 1 24 ALA MB . . 2.820 2.105 2.023 2.230 . 0 0 "[ . 1 .]" 1
671 1 23 LYS HB2 1 24 ALA H . . 3.390 2.787 2.469 3.050 . 0 0 "[ . 1 .]" 1
672 1 23 LYS H 1 23 LYS HE2 . . 5.500 5.066 3.439 5.491 . 0 0 "[ . 1 .]" 1
673 1 23 LYS H 1 23 LYS HB2 . . 3.330 2.553 2.437 2.710 . 0 0 "[ . 1 .]" 1
674 1 22 ALA MB 1 23 LYS H . . 3.280 2.553 2.172 2.820 . 0 0 "[ . 1 .]" 1
675 1 22 ALA H 1 70 SER HA . . 5.500 5.170 4.694 5.502 0.002 5 0 "[ . 1 .]" 1
676 1 21 ARG HB3 1 22 ALA H . . 3.770 3.200 2.463 3.883 0.113 11 0 "[ . 1 .]" 1
677 1 22 ALA H 1 22 ALA MB . . 3.200 2.095 2.038 2.205 . 0 0 "[ . 1 .]" 1
678 1 21 ARG H 1 22 ALA H . . 3.310 2.782 2.595 3.007 . 0 0 "[ . 1 .]" 1
679 1 20 ALA H 1 21 ARG H . . 4.000 2.397 2.251 2.772 . 0 0 "[ . 1 .]" 1
680 1 18 TYR HA 1 20 ALA H . . 4.500 3.430 3.153 4.163 . 0 0 "[ . 1 .]" 1
681 1 19 CYS HB2 1 20 ALA H . . 4.590 4.427 4.141 4.562 . 0 0 "[ . 1 .]" 1
682 1 19 CYS HB3 1 20 ALA H . . 4.590 4.493 4.123 4.647 0.057 9 0 "[ . 1 .]" 1
683 1 20 ALA H 1 20 ALA MB . . 3.350 2.148 2.026 2.242 . 0 0 "[ . 1 .]" 1
684 1 18 TYR H 1 19 CYS H . . 4.140 3.393 2.867 4.006 . 0 0 "[ . 1 .]" 1
685 1 18 TYR H 1 19 CYS HA . . 5.360 5.005 4.681 5.433 0.073 13 0 "[ . 1 .]" 1
686 1 12 THR HB 1 13 ARG H . . 4.090 3.752 2.888 4.024 . 0 0 "[ . 1 .]" 1
687 1 11 TYR QD 1 12 THR H . . 5.310 4.627 4.515 4.760 . 0 0 "[ . 1 .]" 1
688 1 11 TYR HA 1 12 THR H . . 3.330 2.169 2.136 2.188 . 0 0 "[ . 1 .]" 1
689 1 12 THR H 1 37 ASP HA . . 5.260 4.902 4.707 5.223 . 0 0 "[ . 1 .]" 1
690 1 11 TYR HB2 1 12 THR H . . 4.690 4.526 4.418 4.585 . 0 0 "[ . 1 .]" 1
691 1 12 THR H 1 38 ALA MB . . 4.900 4.530 4.005 4.900 . 0 0 "[ . 1 .]" 1
692 1 12 THR H 1 12 THR MG . . 4.050 2.704 2.487 3.744 . 0 0 "[ . 1 .]" 1
693 1 10 ILE HA 1 11 TYR H . . 3.310 2.185 2.147 2.225 . 0 0 "[ . 1 .]" 1
694 1 11 TYR H 1 60 ILE HA . . 4.460 3.956 3.814 4.144 . 0 0 "[ . 1 .]" 1
695 1 11 TYR H 1 11 TYR HB2 . . 3.700 2.296 2.237 2.400 . 0 0 "[ . 1 .]" 1
696 1 11 TYR H 1 58 PRO HB2 . . 4.710 3.551 2.908 4.074 . 0 0 "[ . 1 .]" 1
697 1 10 ILE HB 1 11 TYR H . . 4.280 4.154 4.015 4.210 . 0 0 "[ . 1 .]" 1
698 1 10 ILE HG12 1 11 TYR H . . 4.420 2.724 2.484 3.072 . 0 0 "[ . 1 .]" 1
699 1 10 ILE MG 1 11 TYR H . . 4.110 3.809 3.644 4.021 . 0 0 "[ . 1 .]" 1
700 1 10 ILE MD 1 11 TYR H . . 5.450 4.136 3.938 4.359 . 0 0 "[ . 1 .]" 1
701 1 11 TYR H 1 36 ILE MD . . 5.500 4.278 3.808 5.506 0.006 10 0 "[ . 1 .]" 1
702 1 9 ILE HA 1 10 ILE H . . 2.900 2.264 2.185 2.309 . 0 0 "[ . 1 .]" 1
703 1 9 ILE HB 1 10 ILE H . . 4.620 3.727 3.592 3.931 . 0 0 "[ . 1 .]" 1
704 1 10 ILE H 1 10 ILE HB . . 3.860 3.147 3.023 3.283 . 0 0 "[ . 1 .]" 1
705 1 10 ILE H 1 10 ILE MG . . 3.050 2.170 2.022 2.274 . 0 0 "[ . 1 .]" 1
706 1 8 VAL H 1 9 ILE H . . 4.760 4.560 4.513 4.608 . 0 0 "[ . 1 .]" 1
707 1 8 VAL HA 1 9 ILE H . . 2.740 2.220 2.162 2.279 . 0 0 "[ . 1 .]" 1
708 1 9 ILE H 1 62 ILE HA . . 4.010 3.718 3.278 3.951 . 0 0 "[ . 1 .]" 1
709 1 9 ILE H 1 61 PHE HB3 . . 4.380 3.602 3.334 3.916 . 0 0 "[ . 1 .]" 1
710 1 9 ILE H 1 61 PHE HB2 . . 4.610 3.421 2.974 3.983 . 0 0 "[ . 1 .]" 1
711 1 9 ILE H 1 9 ILE HB . . 3.430 2.878 2.809 2.935 . 0 0 "[ . 1 .]" 1
712 1 9 ILE H 1 9 ILE HG13 . . 3.980 3.334 3.213 3.455 . 0 0 "[ . 1 .]" 1
713 1 9 ILE H 1 9 ILE MD . . 3.270 2.425 2.176 2.628 . 0 0 "[ . 1 .]" 1
714 1 8 VAL MG2 1 9 ILE H . . 4.130 4.020 3.948 4.111 . 0 0 "[ . 1 .]" 1
715 1 7 ASP H 1 8 VAL H . . 4.440 4.329 4.219 4.445 0.005 12 0 "[ . 1 .]" 1
716 1 7 ASP HA 1 8 VAL H . . 2.780 2.223 2.150 2.293 . 0 0 "[ . 1 .]" 1
717 1 8 VAL H 1 8 VAL HB . . 3.420 2.616 2.531 2.641 . 0 0 "[ . 1 .]" 1
718 1 8 VAL H 1 9 ILE HG13 . . 4.850 4.540 4.319 4.690 . 0 0 "[ . 1 .]" 1
719 1 6 VAL HA 1 7 ASP H . . 2.920 2.545 2.217 2.666 . 0 0 "[ . 1 .]" 1
720 1 6 VAL HB 1 7 ASP H . . 3.220 2.252 1.947 3.285 0.065 8 0 "[ . 1 .]" 1
721 1 5 MET HA 1 6 VAL H . . 3.070 2.520 2.273 2.707 . 0 0 "[ . 1 .]" 1
722 1 5 MET ME 1 6 VAL H . . 4.360 3.989 3.659 4.360 . 0 0 "[ . 1 .]" 1
723 1 6 VAL H 1 6 VAL MG1 . . 3.890 2.650 2.158 3.825 . 0 0 "[ . 1 .]" 1
724 1 4 SER HA 1 5 MET H . . 3.380 2.610 2.147 3.416 0.036 12 0 "[ . 1 .]" 1
725 1 5 MET H 1 5 MET HG2 . . 3.870 3.209 1.973 3.871 0.001 13 0 "[ . 1 .]" 1
726 1 50 GLU HB2 1 51 ARG H . . 3.940 3.872 3.720 3.950 0.010 8 0 "[ . 1 .]" 1
727 1 83 ASP H 1 83 ASP HB2 . . 3.380 2.454 2.091 2.790 . 0 0 "[ . 1 .]" 1
728 1 83 ASP H 1 83 ASP HB3 . . 3.380 2.806 2.446 3.561 0.181 13 0 "[ . 1 .]" 1
729 1 82 LEU HB3 1 83 ASP H . . 3.970 3.865 3.806 3.923 . 0 0 "[ . 1 .]" 1
730 1 82 LEU HB2 1 83 ASP H . . 4.060 3.871 3.701 3.988 . 0 0 "[ . 1 .]" 1
731 1 82 LEU MD1 1 83 ASP H . . 3.840 2.677 2.501 2.785 . 0 0 "[ . 1 .]" 1
732 1 84 SER H 1 84 SER HB2 . . 3.640 2.745 2.213 3.457 . 0 0 "[ . 1 .]" 1
733 1 84 SER H 1 84 SER HB3 . . 3.640 3.336 2.348 3.611 . 0 0 "[ . 1 .]" 1
734 1 84 SER H 1 85 LEU HB3 . . 4.900 4.573 4.332 4.700 . 0 0 "[ . 1 .]" 1
735 1 84 SER H 1 87 LYS HB3 . . 5.500 5.089 4.486 5.511 0.011 4 0 "[ . 1 .]" 1
736 1 82 LEU HG 1 84 SER H . . 5.000 4.928 4.695 5.006 0.006 1 0 "[ . 1 .]" 1
737 1 82 LEU MD1 1 84 SER H . . 4.810 4.715 4.428 4.827 0.017 15 0 "[ . 1 .]" 1
738 1 85 LEU H 1 86 LEU H . . 3.370 2.620 2.515 2.818 . 0 0 "[ . 1 .]" 1
739 1 82 LEU HB2 1 86 LEU H . . 5.500 4.658 4.308 4.863 . 0 0 "[ . 1 .]" 1
740 1 81 LYS H 1 83 ASP H . . 5.500 4.608 4.376 4.815 . 0 0 "[ . 1 .]" 1
741 1 76 LEU HA 1 78 ASP H . . 4.940 4.149 3.930 4.402 . 0 0 "[ . 1 .]" 1
742 1 76 LEU HB2 1 77 GLU H . . 3.650 2.576 2.478 2.650 . 0 0 "[ . 1 .]" 1
743 1 69 GLY H 1 70 SER H . . 5.310 4.224 3.771 4.473 . 0 0 "[ . 1 .]" 1
744 1 66 HIS H 1 67 VAL H . . 5.320 4.436 4.027 4.596 . 0 0 "[ . 1 .]" 1
745 1 34 ASN H 1 34 ASN HD21 . . 5.170 4.681 4.315 5.005 . 0 0 "[ . 1 .]" 1
746 1 61 PHE QD 1 66 HIS H . . 5.500 5.390 4.936 5.506 0.006 13 0 "[ . 1 .]" 1
747 1 65 VAL HB 1 66 HIS H . . 5.180 3.969 3.793 4.454 . 0 0 "[ . 1 .]" 1
748 1 62 ILE H 1 67 VAL H . . 4.840 4.761 4.194 4.872 0.032 14 0 "[ . 1 .]" 1
749 1 59 GLN H 1 60 ILE H . . 5.100 4.435 4.274 4.557 . 0 0 "[ . 1 .]" 1
750 1 60 ILE H 1 70 SER H . . 5.410 5.324 5.063 5.431 0.021 2 0 "[ . 1 .]" 1
751 1 47 GLU H 1 49 GLN H . . 4.020 3.807 3.650 3.989 . 0 0 "[ . 1 .]" 1
752 1 46 ALA MB 1 49 GLN H . . 4.670 4.523 4.305 4.669 . 0 0 "[ . 1 .]" 1
753 1 38 ALA HA 1 45 ARG H . . 5.200 4.744 4.366 4.920 . 0 0 "[ . 1 .]" 1
754 1 41 THR H 1 42 PRO HD3 . . 4.900 4.818 4.566 4.915 0.015 10 0 "[ . 1 .]" 1
755 1 34 ASN HA 1 35 GLU H . . 2.880 2.150 2.141 2.161 . 0 0 "[ . 1 .]" 1
756 1 9 ILE HG13 1 34 ASN H . . 5.500 3.997 3.710 4.420 . 0 0 "[ . 1 .]" 1
757 1 9 ILE HG12 1 34 ASN HD21 . . 5.500 3.396 2.777 4.354 . 0 0 "[ . 1 .]" 1
758 1 9 ILE MG 1 34 ASN HD22 . . 5.270 3.545 3.116 4.082 . 0 0 "[ . 1 .]" 1
759 1 55 ASN HA 1 55 ASN HD22 . . 5.290 4.241 3.382 5.210 . 0 0 "[ . 1 .]" 1
760 1 29 LYS H 1 29 LYS HE3 . . 5.500 4.758 3.617 5.517 0.017 10 0 "[ . 1 .]" 1
761 1 29 LYS H 1 29 LYS HE2 . . 5.500 4.646 3.533 5.513 0.013 8 0 "[ . 1 .]" 1
762 1 73 LEU H 1 75 ALA H . . 4.260 4.155 3.936 4.263 0.003 2 0 "[ . 1 .]" 1
763 1 21 ARG H 1 74 TYR QE . . 5.290 5.266 4.939 5.318 0.028 15 0 "[ . 1 .]" 1
764 1 26 LEU HA 1 28 ARG H . . 5.400 4.177 3.951 4.551 . 0 0 "[ . 1 .]" 1
765 1 8 VAL MG1 1 32 GLU H . . 5.500 5.427 5.173 5.508 0.008 6 0 "[ . 1 .]" 1
766 1 37 ASP H 1 38 ALA MB . . 5.500 5.335 5.198 5.457 . 0 0 "[ . 1 .]" 1
767 1 76 LEU MD2 1 79 GLU H . . 5.440 5.005 4.817 5.210 . 0 0 "[ . 1 .]" 1
768 1 68 GLY H 1 69 GLY H . . 4.670 3.181 2.810 3.904 . 0 0 "[ . 1 .]" 1
769 1 8 VAL MG1 1 9 ILE H . . 4.130 2.215 2.026 2.461 . 0 0 "[ . 1 .]" 1
770 1 25 LEU H 1 28 ARG H . . 5.020 4.740 4.541 4.997 . 0 0 "[ . 1 .]" 1
771 1 44 LEU H 1 44 LEU HB3 . . 3.690 3.580 3.482 3.641 . 0 0 "[ . 1 .]" 1
772 1 11 TYR H 1 11 TYR QD . . 4.260 2.489 2.136 2.830 . 0 0 "[ . 1 .]" 1
773 1 11 TYR H 1 11 TYR QE . . 5.500 4.804 4.445 5.111 . 0 0 "[ . 1 .]" 1
774 1 33 PHE H 1 33 PHE QD . . 3.720 3.041 2.732 3.330 . 0 0 "[ . 1 .]" 1
775 1 57 PHE H 1 57 PHE QE . . 4.710 4.095 3.952 4.201 . 0 0 "[ . 1 .]" 1
776 1 74 TYR H 1 74 TYR QE . . 5.500 5.073 4.881 5.205 . 0 0 "[ . 1 .]" 1
777 1 60 ILE H 1 68 GLY H . . 5.410 5.178 4.522 5.446 0.036 2 0 "[ . 1 .]" 1
778 1 5 MET H 1 5 MET HG3 . . 3.870 3.129 2.123 3.904 0.034 12 0 "[ . 1 .]" 1
779 1 9 ILE MG 1 36 ILE H . . 4.770 4.670 4.305 4.788 0.018 12 0 "[ . 1 .]" 1
780 1 20 ALA HA 1 21 ARG H . . 3.540 3.484 3.443 3.549 0.009 12 0 "[ . 1 .]" 1
781 1 35 GLU H 1 35 GLU HB2 . . 3.680 2.519 2.252 2.671 . 0 0 "[ . 1 .]" 1
782 1 10 ILE HG13 1 11 TYR H . . 4.420 2.808 2.513 2.966 . 0 0 "[ . 1 .]" 1
783 1 40 ALA MB 1 41 THR H . . 3.830 2.918 2.664 3.466 . 0 0 "[ . 1 .]" 1
784 1 66 HIS H 1 66 HIS HB2 . . 3.510 2.584 2.320 3.006 . 0 0 "[ . 1 .]" 1
785 1 67 VAL MG1 1 68 GLY H . . 4.350 2.841 2.202 4.207 . 0 0 "[ . 1 .]" 1
786 1 67 VAL H 1 67 VAL MG1 . . 4.080 3.443 2.065 3.952 . 0 0 "[ . 1 .]" 1
787 1 76 LEU MD2 1 81 LYS H . . 4.550 4.329 3.872 4.553 0.003 7 0 "[ . 1 .]" 1
788 1 78 ASP HB2 1 79 GLU H . . 3.560 2.684 2.578 2.939 . 0 0 "[ . 1 .]" 1
789 1 78 ASP H 1 78 ASP HB2 . . 2.990 2.182 2.133 2.211 . 0 0 "[ . 1 .]" 1
790 1 84 SER HA 1 85 LEU H . . 3.530 3.442 3.391 3.501 . 0 0 "[ . 1 .]" 1
791 1 9 ILE H 1 9 ILE HG12 . . 4.510 4.393 4.309 4.460 . 0 0 "[ . 1 .]" 1
792 1 21 ARG HB2 1 22 ALA H . . 3.770 2.572 2.125 3.422 . 0 0 "[ . 1 .]" 1
793 1 23 LYS H 1 23 LYS HE3 . . 5.500 4.068 3.355 4.967 . 0 0 "[ . 1 .]" 1
794 1 29 LYS H 1 29 LYS HD2 . . 5.110 4.532 3.855 5.046 . 0 0 "[ . 1 .]" 1
795 1 29 LYS H 1 29 LYS HD3 . . 5.110 4.517 3.199 4.876 . 0 0 "[ . 1 .]" 1
796 1 12 THR MG 1 13 ARG H . . 4.220 3.448 2.962 3.938 . 0 0 "[ . 1 .]" 1
797 1 10 ILE H 1 35 GLU HA . . 3.670 3.535 3.359 3.654 . 0 0 "[ . 1 .]" 1
798 1 10 ILE H 1 33 PHE HB2 . . 4.430 4.339 3.948 4.433 0.003 12 0 "[ . 1 .]" 1
799 1 10 ILE H 1 34 ASN HB3 . . 4.340 3.847 3.604 3.989 . 0 0 "[ . 1 .]" 1
800 1 78 ASP H 1 80 GLY H . . 4.310 3.766 3.630 3.878 . 0 0 "[ . 1 .]" 1
801 1 84 SER H 1 85 LEU HB2 . . 5.340 5.059 4.717 5.239 . 0 0 "[ . 1 .]" 1
802 1 91 LEU H 1 91 LEU HG . . 2.890 2.332 1.948 2.869 . 0 0 "[ . 1 .]" 1
803 1 91 LEU HA 1 92 ILE H . . 3.500 3.503 3.362 3.623 0.123 3 0 "[ . 1 .]" 1
804 1 91 LEU MD1 1 92 ILE H . . 4.210 3.652 2.483 4.232 0.022 10 0 "[ . 1 .]" 1
805 1 91 LEU MD2 1 92 ILE H . . 4.210 3.602 3.009 4.308 0.098 7 0 "[ . 1 .]" 1
806 1 9 ILE MD 1 63 GLY H . . 4.210 3.472 2.774 4.000 . 0 0 "[ . 1 .]" 1
807 1 62 ILE MG 1 63 GLY H . . 4.600 3.647 2.770 4.071 . 0 0 "[ . 1 .]" 1
808 1 48 MET HA 1 52 SER H . . 5.320 4.238 3.509 4.623 . 0 0 "[ . 1 .]" 1
809 1 47 GLU HA 1 50 GLU H . . 4.030 3.775 3.484 4.060 0.030 8 0 "[ . 1 .]" 1
810 1 47 GLU H 1 48 MET H . . 3.000 2.685 2.428 2.947 . 0 0 "[ . 1 .]" 1
811 1 19 CYS H 1 20 ALA MB . . 5.500 4.068 3.548 4.502 . 0 0 "[ . 1 .]" 1
812 1 20 ALA H 1 58 PRO HG3 . . 5.500 5.470 5.119 5.515 0.015 10 0 "[ . 1 .]" 1
813 1 79 GLU HB3 1 80 GLY H . . 4.320 3.989 3.858 4.165 . 0 0 "[ . 1 .]" 1
814 1 76 LEU H 1 76 LEU MD2 . . 3.470 3.282 3.094 3.455 . 0 0 "[ . 1 .]" 1
815 1 74 TYR HB3 1 75 ALA H . . 3.700 3.356 3.248 3.545 . 0 0 "[ . 1 .]" 1
816 1 86 LEU H 1 86 LEU MD1 . . 4.800 3.423 3.366 3.494 . 0 0 "[ . 1 .]" 1
817 1 60 ILE H 1 67 VAL H . . 5.070 4.418 3.756 4.923 . 0 0 "[ . 1 .]" 1
818 1 51 ARG HB2 1 52 SER H . . 3.980 3.117 2.344 3.847 . 0 0 "[ . 1 .]" 1
819 1 33 PHE H 1 33 PHE HB2 . . 4.110 3.859 3.698 3.991 . 0 0 "[ . 1 .]" 1
820 1 85 LEU HB3 1 86 LEU H . . 2.920 2.558 2.394 2.742 . 0 0 "[ . 1 .]" 1
821 1 16 CYS H 1 17 PRO HA . . 4.980 4.831 4.639 4.964 . 0 0 "[ . 1 .]" 1
822 1 9 ILE HA 1 34 ASN H . . 3.640 2.209 2.036 2.512 . 0 0 "[ . 1 .]" 1
823 1 34 ASN H 1 34 ASN HB3 . . 3.080 2.693 2.498 2.831 . 0 0 "[ . 1 .]" 1
824 1 66 HIS HA 1 66 HIS HD2 . . 3.680 3.216 2.513 3.678 . 0 0 "[ . 1 .]" 1
825 1 66 HIS HD2 1 67 VAL H . . 4.220 2.489 2.242 2.889 . 0 0 "[ . 1 .]" 1
826 1 66 HIS HD2 1 67 VAL HA . . 4.330 3.592 3.190 3.847 . 0 0 "[ . 1 .]" 1
827 1 25 LEU HA 1 74 TYR QE . . 4.580 4.140 3.689 4.608 0.028 15 0 "[ . 1 .]" 1
828 1 11 TYR QE 1 48 MET H . . 5.150 4.799 4.033 5.151 0.001 3 0 "[ . 1 .]" 1
829 1 9 ILE MG 1 11 TYR QE . . 3.770 3.394 2.920 3.770 0.000 9 0 "[ . 1 .]" 1
830 1 25 LEU MD1 1 74 TYR QE . . 5.080 3.222 2.316 4.570 . 0 0 "[ . 1 .]" 1
831 1 74 TYR H 1 74 TYR QD . . 3.470 3.069 2.622 3.414 . 0 0 "[ . 1 .]" 1
832 1 11 TYR QE 1 61 PHE HB2 . . 4.450 3.524 2.862 3.896 . 0 0 "[ . 1 .]" 1
833 1 11 TYR QE 1 44 LEU MD2 . . 4.670 2.939 1.929 4.670 . 0 0 "[ . 1 .]" 1
834 1 23 LYS HA 1 33 PHE HZ . . 5.450 4.754 4.089 5.267 . 0 0 "[ . 1 .]" 1
835 1 33 PHE QD 1 35 GLU H . . 4.450 4.138 3.485 4.416 . 0 0 "[ . 1 .]" 1
836 1 33 PHE QD 1 34 ASN H . . 4.240 3.822 3.252 4.094 . 0 0 "[ . 1 .]" 1
837 1 10 ILE MG 1 33 PHE QD . . 3.700 3.293 2.821 3.681 . 0 0 "[ . 1 .]" 1
838 1 26 LEU MD1 1 33 PHE QD . . 4.500 2.692 2.183 3.005 . 0 0 "[ . 1 .]" 1
839 1 61 PHE QD 1 65 VAL H . . 4.570 4.075 2.526 4.577 0.007 13 0 "[ . 1 .]" 1
840 1 61 PHE QD 1 66 HIS HA . . 4.310 3.563 2.968 4.080 . 0 0 "[ . 1 .]" 1
841 1 60 ILE H 1 66 HIS HD2 . . 5.500 5.358 5.001 5.505 0.005 10 0 "[ . 1 .]" 1
842 1 66 HIS H 1 66 HIS HD2 . . 5.500 5.114 4.914 5.226 . 0 0 "[ . 1 .]" 1
843 1 66 HIS HD2 1 68 GLY H . . 4.320 3.820 2.844 4.316 . 0 0 "[ . 1 .]" 1
844 1 18 TYR H 1 18 TYR QD . . 3.850 2.782 2.340 3.885 0.035 12 0 "[ . 1 .]" 1
845 1 9 ILE HB 1 11 TYR QE . . 4.560 3.909 3.509 4.300 . 0 0 "[ . 1 .]" 1
846 1 11 TYR QE 1 36 ILE HB . . 4.860 4.534 4.317 4.867 0.007 6 0 "[ . 1 .]" 1
847 1 11 TYR QD 1 44 LEU HB3 . . 3.950 3.554 2.697 3.958 0.008 6 0 "[ . 1 .]" 1
848 1 18 TYR HA 1 18 TYR QD . . 3.780 2.732 2.108 3.110 . 0 0 "[ . 1 .]" 1
849 1 9 ILE HB 1 61 PHE QD . . 4.640 4.111 3.689 4.633 . 0 0 "[ . 1 .]" 1
850 1 73 LEU HB3 1 74 TYR QD . . 4.960 3.888 2.712 4.589 . 0 0 "[ . 1 .]" 1
851 1 4 SER H 1 4 SER QB . . 3.580 2.573 2.107 3.156 . 0 0 "[ . 1 .]" 1
852 1 4 SER QB 1 5 MET H . . 4.130 3.128 2.049 3.875 . 0 0 "[ . 1 .]" 1
853 1 4 SER QB 1 5 MET HA . . 4.790 4.232 3.908 4.748 . 0 0 "[ . 1 .]" 1
854 1 5 MET H 1 5 MET QB . . 3.490 2.915 2.237 3.376 . 0 0 "[ . 1 .]" 1
855 1 5 MET QB 1 5 MET ME . . 3.640 2.348 1.987 3.631 . 0 0 "[ . 1 .]" 1
856 1 5 MET QB 1 6 VAL H . . 3.150 2.248 1.930 2.714 . 0 0 "[ . 1 .]" 1
857 1 5 MET QG 1 6 VAL H . . 4.780 3.685 2.748 4.309 . 0 0 "[ . 1 .]" 1
858 1 6 VAL H 1 6 VAL QG . . 2.760 2.012 1.881 2.223 . 0 0 "[ . 1 .]" 1
859 1 6 VAL H 1 87 LYS QE . . 5.220 4.629 3.112 5.221 0.001 11 0 "[ . 1 .]" 1
860 1 6 VAL HB 1 8 VAL QG . . 5.170 4.870 4.382 5.176 0.006 2 0 "[ . 1 .]" 1
861 1 6 VAL QG 1 7 ASP H . . 3.410 2.779 1.886 3.390 . 0 0 "[ . 1 .]" 1
862 1 6 VAL QG 1 8 VAL H . . 5.240 4.658 4.166 5.211 . 0 0 "[ . 1 .]" 1
863 1 6 VAL QG 1 62 ILE HB . . 5.150 4.293 3.528 5.063 . 0 0 "[ . 1 .]" 1
864 1 6 VAL QG 1 63 GLY H . . 3.760 3.409 2.332 3.773 0.013 5 0 "[ . 1 .]" 1
865 1 6 VAL QG 1 63 GLY QA . . 3.980 2.380 1.821 3.298 . 0 0 "[ . 1 .]" 1
866 1 6 VAL QG 1 87 LYS QD . . 4.770 4.425 3.619 4.787 0.017 10 0 "[ . 1 .]" 1
867 1 6 VAL QG 1 88 THR MG . . 4.630 3.559 2.960 4.049 . 0 0 "[ . 1 .]" 1
868 1 6 VAL QG 1 89 GLY H . . 4.110 3.831 3.592 4.120 0.010 8 0 "[ . 1 .]" 1
869 1 6 VAL QG 1 89 GLY QA . . 3.410 3.361 3.185 3.430 0.020 15 0 "[ . 1 .]" 1
870 1 7 ASP H 1 7 ASP QB . . 2.950 2.732 2.336 2.945 . 0 0 "[ . 1 .]" 1
871 1 7 ASP H 1 8 VAL QG . . 5.010 4.540 4.405 4.853 . 0 0 "[ . 1 .]" 1
872 1 7 ASP HA 1 8 VAL QG . . 4.590 3.467 3.407 3.567 . 0 0 "[ . 1 .]" 1
873 1 7 ASP QB 1 8 VAL H . . 4.140 3.161 2.731 3.668 . 0 0 "[ . 1 .]" 1
874 1 7 ASP QB 1 9 ILE HG12 . . 5.190 4.489 4.248 4.771 . 0 0 "[ . 1 .]" 1
875 1 7 ASP QB 1 9 ILE HG13 . . 5.110 3.681 3.397 3.949 . 0 0 "[ . 1 .]" 1
876 1 7 ASP QB 1 9 ILE MD . . 4.440 3.007 2.633 3.296 . 0 0 "[ . 1 .]" 1
877 1 7 ASP QB 1 63 GLY H . . 5.280 5.036 4.491 5.293 0.013 8 0 "[ . 1 .]" 1
878 1 8 VAL H 1 8 VAL QG . . 3.430 2.323 2.108 2.440 . 0 0 "[ . 1 .]" 1
879 1 8 VAL HB 1 26 LEU QD . . 4.400 3.206 2.823 3.611 . 0 0 "[ . 1 .]" 1
880 1 8 VAL QG 1 9 ILE H . . 3.180 2.204 2.020 2.443 . 0 0 "[ . 1 .]" 1
881 1 8 VAL QG 1 10 ILE H . . 4.650 4.567 4.340 4.664 0.014 11 0 "[ . 1 .]" 1
882 1 8 VAL QG 1 10 ILE HB . . 4.420 3.999 3.802 4.108 . 0 0 "[ . 1 .]" 1
883 1 8 VAL QG 1 26 LEU QD . . 3.130 2.360 1.920 2.743 . 0 0 "[ . 1 .]" 1
884 1 8 VAL QG 1 31 ALA MB . . 3.670 3.260 2.758 3.648 . 0 0 "[ . 1 .]" 1
885 1 8 VAL QG 1 32 GLU H . . 4.760 3.672 3.332 4.057 . 0 0 "[ . 1 .]" 1
886 1 8 VAL QG 1 33 PHE H . . 5.440 4.921 4.463 5.095 . 0 0 "[ . 1 .]" 1
887 1 8 VAL QG 1 33 PHE HB2 . . 4.290 3.843 3.345 4.096 . 0 0 "[ . 1 .]" 1
888 1 8 VAL QG 1 33 PHE HB3 . . 3.530 3.189 2.632 3.491 . 0 0 "[ . 1 .]" 1
889 1 8 VAL QG 1 33 PHE QD . . 4.680 4.383 3.973 4.583 . 0 0 "[ . 1 .]" 1
890 1 8 VAL QG 1 34 ASN H . . 4.580 4.090 3.879 4.259 . 0 0 "[ . 1 .]" 1
891 1 8 VAL QG 1 61 PHE H . . 5.440 3.159 2.841 3.614 . 0 0 "[ . 1 .]" 1
892 1 8 VAL QG 1 62 ILE HB . . 4.420 3.840 3.491 4.416 . 0 0 "[ . 1 .]" 1
893 1 8 VAL QG 1 63 GLY H . . 4.700 4.092 3.815 4.326 . 0 0 "[ . 1 .]" 1
894 1 8 VAL QG 1 85 LEU HG . . 4.610 4.034 3.605 4.401 . 0 0 "[ . 1 .]" 1
895 1 8 VAL QG 1 86 LEU H . . 5.440 4.850 4.525 5.136 . 0 0 "[ . 1 .]" 1
896 1 8 VAL QG 1 86 LEU HA . . 4.510 2.863 2.524 3.157 . 0 0 "[ . 1 .]" 1
897 1 8 VAL QG 1 86 LEU HB3 . . 4.090 3.640 3.157 4.009 . 0 0 "[ . 1 .]" 1
898 1 9 ILE MG 1 36 ILE QG . . 2.890 2.522 2.190 2.786 . 0 0 "[ . 1 .]" 1
899 1 9 ILE MD 1 63 GLY QA . . 5.200 4.317 3.674 4.782 . 0 0 "[ . 1 .]" 1
900 1 10 ILE H 1 10 ILE QG . . 4.690 4.111 4.037 4.143 . 0 0 "[ . 1 .]" 1
901 1 10 ILE HA 1 10 ILE QG . . 3.620 2.313 2.245 2.376 . 0 0 "[ . 1 .]" 1
902 1 10 ILE MG 1 35 GLU QB . . 4.450 3.481 3.156 3.828 . 0 0 "[ . 1 .]" 1
903 1 10 ILE QG 1 11 TYR H . . 3.760 2.454 2.260 2.686 . 0 0 "[ . 1 .]" 1
904 1 10 ILE QG 1 12 THR MG . . 2.930 2.369 2.068 2.932 0.002 12 0 "[ . 1 .]" 1
905 1 10 ILE QG 1 22 ALA MB . . 4.310 3.658 3.077 4.119 . 0 0 "[ . 1 .]" 1
906 1 10 ILE QG 1 23 LYS QE . . 4.550 3.836 3.614 4.164 . 0 0 "[ . 1 .]" 1
907 1 10 ILE QG 1 58 PRO HB2 . . 4.130 2.202 1.969 2.415 . 0 0 "[ . 1 .]" 1
908 1 10 ILE QG 1 58 PRO HG2 . . 3.700 3.247 2.920 3.462 . 0 0 "[ . 1 .]" 1
909 1 10 ILE QG 1 58 PRO HG3 . . 3.900 3.598 3.211 3.842 . 0 0 "[ . 1 .]" 1
910 1 10 ILE QG 1 59 GLN H . . 4.270 3.332 2.976 3.550 . 0 0 "[ . 1 .]" 1
911 1 10 ILE MD 1 23 LYS QG . . 3.930 3.342 2.936 3.846 . 0 0 "[ . 1 .]" 1
912 1 10 ILE MD 1 23 LYS QE . . 5.220 2.059 1.860 2.393 . 0 0 "[ . 1 .]" 1
913 1 10 ILE MD 1 35 GLU QG . . 5.130 4.214 3.810 5.134 0.004 1 0 "[ . 1 .]" 1
914 1 11 TYR QD 1 36 ILE QG . . 5.200 4.308 2.869 4.972 . 0 0 "[ . 1 .]" 1
915 1 11 TYR QD 1 44 LEU QD . . 4.010 3.293 2.259 3.722 . 0 0 "[ . 1 .]" 1
916 1 11 TYR QE 1 36 ILE QG . . 5.330 4.503 2.957 5.162 . 0 0 "[ . 1 .]" 1
917 1 11 TYR QE 1 44 LEU QD . . 3.320 2.162 1.926 2.962 . 0 0 "[ . 1 .]" 1
918 1 12 THR MG 1 19 CYS QB . . 3.890 2.449 1.916 2.924 . 0 0 "[ . 1 .]" 1
919 1 12 THR MG 1 23 LYS QE . . 4.210 3.413 2.744 4.066 . 0 0 "[ . 1 .]" 1
920 1 12 THR MG 1 35 GLU QG . . 3.730 3.028 2.363 3.700 . 0 0 "[ . 1 .]" 1
921 1 13 ARG H 1 13 ARG QB . . 3.560 2.196 2.046 2.645 . 0 0 "[ . 1 .]" 1
922 1 13 ARG H 1 13 ARG QG . . 4.380 2.964 2.124 4.054 . 0 0 "[ . 1 .]" 1
923 1 13 ARG H 1 13 ARG QD . . 4.810 4.043 3.145 4.615 . 0 0 "[ . 1 .]" 1
924 1 13 ARG H 1 19 CYS QB . . 5.340 5.099 4.559 5.357 0.017 10 0 "[ . 1 .]" 1
925 1 13 ARG QB 1 13 ARG QD . . 3.320 2.203 1.952 2.554 . 0 0 "[ . 1 .]" 1
926 1 13 ARG QB 1 16 CYS QB . . 3.730 2.903 1.692 3.720 . 0 0 "[ . 1 .]" 1
927 1 13 ARG QB 1 17 PRO QD . . 3.430 2.070 1.903 2.299 . 0 0 "[ . 1 .]" 1
928 1 13 ARG QG 1 16 CYS QB . . 4.120 4.051 2.946 5.153 1.033 1 3 "[+ *. - 1 .]" 1
929 1 15 GLY QA 1 16 CYS H . . 3.110 2.131 1.988 2.385 . 0 0 "[ . 1 .]" 1
930 1 15 GLY QA 1 16 CYS QB . . 4.410 3.974 3.430 4.232 . 0 0 "[ . 1 .]" 1
931 1 16 CYS H 1 16 CYS QB . . 3.360 3.215 3.036 3.499 0.139 4 0 "[ . 1 .]" 1
932 1 16 CYS QB 1 17 PRO HA . . 4.930 4.017 3.737 4.929 . 0 0 "[ . 1 .]" 1
933 1 16 CYS QB 1 17 PRO QB . . 4.960 4.228 3.930 4.809 . 0 0 "[ . 1 .]" 1
934 1 17 PRO QB 1 18 TYR H . . 4.090 2.240 1.989 3.540 . 0 0 "[ . 1 .]" 1
935 1 17 PRO QB 1 18 TYR QD . . 4.440 4.341 3.633 5.269 0.829 12 2 "[- . 1 + .]" 1
936 1 17 PRO QG 1 19 CYS H . . 5.130 3.500 2.854 4.424 . 0 0 "[ . 1 .]" 1
937 1 17 PRO QD 1 18 TYR H . . 4.900 4.710 2.732 4.974 0.074 3 0 "[ . 1 .]" 1
938 1 18 TYR QB 1 19 CYS H . . 4.290 3.654 2.043 3.945 . 0 0 "[ . 1 .]" 1
939 1 18 TYR QB 1 19 CYS HA . . 5.100 4.281 3.788 4.527 . 0 0 "[ . 1 .]" 1
940 1 19 CYS QB 1 21 ARG H . . 5.220 4.934 4.460 5.235 0.015 13 0 "[ . 1 .]" 1
941 1 19 CYS QB 1 23 LYS H . . 5.040 4.363 3.853 4.843 . 0 0 "[ . 1 .]" 1
942 1 21 ARG H 1 21 ARG QB . . 3.660 2.332 2.112 2.608 . 0 0 "[ . 1 .]" 1
943 1 21 ARG QB 1 22 ALA H . . 3.280 2.420 2.106 3.210 . 0 0 "[ . 1 .]" 1
944 1 21 ARG QB 1 22 ALA HA . . 4.780 3.803 3.698 4.147 . 0 0 "[ . 1 .]" 1
945 1 21 ARG QB 1 74 TYR QD . . 4.520 3.928 3.381 4.426 . 0 0 "[ . 1 .]" 1
946 1 21 ARG QB 1 74 TYR QE . . 3.580 2.238 1.978 2.990 . 0 0 "[ . 1 .]" 1
947 1 22 ALA H 1 26 LEU QD . . 5.440 5.208 4.929 5.371 . 0 0 "[ . 1 .]" 1
948 1 22 ALA H 1 58 PRO QD . . 5.350 4.168 3.500 4.870 . 0 0 "[ . 1 .]" 1
949 1 22 ALA HA 1 25 LEU QD . . 5.280 4.245 3.599 4.755 . 0 0 "[ . 1 .]" 1
950 1 22 ALA HA 1 60 ILE QG . . 5.340 4.800 4.399 5.225 . 0 0 "[ . 1 .]" 1
951 1 22 ALA MB 1 23 LYS QG . . 3.540 3.141 2.893 3.475 . 0 0 "[ . 1 .]" 1
952 1 22 ALA MB 1 26 LEU QD . . 3.280 2.785 2.308 3.040 . 0 0 "[ . 1 .]" 1
953 1 22 ALA MB 1 73 LEU QD . . 3.580 2.849 1.993 3.296 . 0 0 "[ . 1 .]" 1
954 1 23 LYS H 1 23 LYS QG . . 4.120 2.100 1.936 2.382 . 0 0 "[ . 1 .]" 1
955 1 23 LYS H 1 23 LYS QD . . 4.630 3.558 2.719 3.984 . 0 0 "[ . 1 .]" 1
956 1 23 LYS H 1 26 LEU QD . . 3.960 3.831 3.608 3.958 . 0 0 "[ . 1 .]" 1
957 1 23 LYS HA 1 23 LYS QG . . 3.380 2.921 2.795 3.157 . 0 0 "[ . 1 .]" 1
958 1 23 LYS HA 1 23 LYS QD . . 3.840 2.097 1.986 2.211 . 0 0 "[ . 1 .]" 1
959 1 23 LYS HA 1 26 LEU QB . . 3.560 2.395 1.988 2.711 . 0 0 "[ . 1 .]" 1
960 1 23 LYS HA 1 26 LEU QD . . 4.320 2.264 1.978 2.642 . 0 0 "[ . 1 .]" 1
961 1 23 LYS HB3 1 23 LYS QE . . 4.420 4.051 3.982 4.178 . 0 0 "[ . 1 .]" 1
962 1 23 LYS HB3 1 26 LEU QD . . 5.440 4.118 3.782 4.534 . 0 0 "[ . 1 .]" 1
963 1 23 LYS QD 1 23 LYS QG . . 2.360 2.072 2.046 2.092 . 0 0 "[ . 1 .]" 1
964 1 23 LYS QE 1 23 LYS QG . . 3.260 2.221 1.941 2.424 . 0 0 "[ . 1 .]" 1
965 1 23 LYS QG 1 24 ALA H . . 5.040 4.008 3.787 4.192 . 0 0 "[ . 1 .]" 1
966 1 23 LYS QD 1 33 PHE HB2 . . 4.660 4.021 3.657 4.285 . 0 0 "[ . 1 .]" 1
967 1 23 LYS QD 1 33 PHE QD . . 4.070 3.014 2.887 3.264 . 0 0 "[ . 1 .]" 1
968 1 23 LYS QD 1 33 PHE QE . . 3.840 2.518 2.212 3.128 . 0 0 "[ . 1 .]" 1
969 1 23 LYS QE 1 26 LEU QD . . 4.790 3.059 2.252 3.702 . 0 0 "[ . 1 .]" 1
970 1 23 LYS QE 1 34 ASN H . . 5.260 4.931 4.361 5.258 . 0 0 "[ . 1 .]" 1
971 1 23 LYS QE 1 58 PRO HG2 . . 5.340 5.299 5.077 5.354 0.014 14 0 "[ . 1 .]" 1
972 1 23 LYS QE 1 58 PRO HG3 . . 5.340 4.794 4.558 5.155 . 0 0 "[ . 1 .]" 1
973 1 25 LEU H 1 25 LEU QB . . 3.490 2.211 2.177 2.235 . 0 0 "[ . 1 .]" 1
974 1 25 LEU H 1 25 LEU QD . . 3.890 3.666 3.567 3.765 . 0 0 "[ . 1 .]" 1
975 1 25 LEU HA 1 25 LEU QD . . 3.410 2.621 2.060 3.193 . 0 0 "[ . 1 .]" 1
976 1 25 LEU HA 1 28 ARG QB . . 3.750 2.620 2.356 2.924 . 0 0 "[ . 1 .]" 1
977 1 25 LEU QB 1 25 LEU QD . . 2.690 1.840 1.733 1.940 . 0 0 "[ . 1 .]" 1
978 1 25 LEU QB 1 26 LEU H . . 3.540 2.439 2.254 2.554 . 0 0 "[ . 1 .]" 1
979 1 25 LEU QB 1 73 LEU QD . . 3.720 2.368 2.020 3.271 . 0 0 "[ . 1 .]" 1
980 1 25 LEU QB 1 74 TYR QD . . 4.390 3.674 3.285 4.220 . 0 0 "[ . 1 .]" 1
981 1 25 LEU HG 1 29 LYS QG . . 4.050 3.124 2.334 4.068 0.018 10 0 "[ . 1 .]" 1
982 1 25 LEU HG 1 29 LYS QD . . 3.140 3.088 2.601 3.150 0.010 8 0 "[ . 1 .]" 1
983 1 25 LEU HG 1 77 GLU QB . . 4.410 4.239 3.771 4.452 0.042 7 0 "[ . 1 .]" 1
984 1 25 LEU QD 1 26 LEU H . . 3.710 3.244 2.485 3.716 0.006 13 0 "[ . 1 .]" 1
985 1 25 LEU QD 1 26 LEU HA . . 4.270 3.381 2.238 4.173 . 0 0 "[ . 1 .]" 1
986 1 25 LEU QD 1 27 ALA H . . 5.230 4.710 4.361 5.039 . 0 0 "[ . 1 .]" 1
987 1 25 LEU QD 1 28 ARG H . . 5.190 4.356 3.610 5.035 . 0 0 "[ . 1 .]" 1
988 1 25 LEU QD 1 28 ARG QB . . 4.060 3.343 2.268 4.073 0.013 8 0 "[ . 1 .]" 1
989 1 25 LEU QD 1 28 ARG QD . . 4.840 3.960 2.866 4.830 . 0 0 "[ . 1 .]" 1
990 1 25 LEU QD 1 29 LYS H . . 4.530 4.219 3.230 4.560 0.030 7 0 "[ . 1 .]" 1
991 1 25 LEU QD 1 29 LYS HB3 . . 5.010 4.290 3.053 5.065 0.055 7 0 "[ . 1 .]" 1
992 1 25 LEU QD 1 29 LYS QG . . 3.670 3.080 2.078 3.575 . 0 0 "[ . 1 .]" 1
993 1 25 LEU QD 1 29 LYS QD . . 3.290 2.794 1.944 3.305 0.015 1 0 "[ . 1 .]" 1
994 1 25 LEU QD 1 29 LYS QE . . 3.680 2.466 1.752 3.682 0.002 12 0 "[ . 1 .]" 1
995 1 25 LEU QD 1 31 ALA MB . . 4.520 4.185 3.316 4.538 0.018 15 0 "[ . 1 .]" 1
996 1 25 LEU QD 1 73 LEU HB2 . . 5.200 4.441 4.168 4.906 . 0 0 "[ . 1 .]" 1
997 1 25 LEU QD 1 73 LEU HB3 . . 4.690 4.059 3.426 4.501 . 0 0 "[ . 1 .]" 1
998 1 25 LEU QD 1 73 LEU QD . . 2.820 1.789 1.587 2.158 . 0 0 "[ . 1 .]" 1
999 1 25 LEU QD 1 74 TYR H . . 4.840 4.213 3.926 4.584 . 0 0 "[ . 1 .]" 1
1000 1 25 LEU QD 1 74 TYR HA . . 3.560 2.613 2.268 2.978 . 0 0 "[ . 1 .]" 1
1001 1 25 LEU QD 1 74 TYR HB2 . . 4.840 4.615 4.382 4.850 0.010 7 0 "[ . 1 .]" 1
1002 1 25 LEU QD 1 74 TYR HB3 . . 4.770 4.400 4.097 4.677 . 0 0 "[ . 1 .]" 1
1003 1 25 LEU QD 1 74 TYR QD . . 4.070 2.800 2.161 3.288 . 0 0 "[ . 1 .]" 1
1004 1 25 LEU QD 1 74 TYR QE . . 3.640 2.953 2.306 3.434 . 0 0 "[ . 1 .]" 1
1005 1 25 LEU QD 1 77 GLU H . . 4.670 3.750 3.308 4.057 . 0 0 "[ . 1 .]" 1
1006 1 25 LEU QD 1 77 GLU QB . . 3.360 2.079 1.794 2.442 . 0 0 "[ . 1 .]" 1
1007 1 25 LEU QD 1 78 ASP H . . 5.140 4.855 4.525 5.140 . 0 0 "[ . 1 .]" 1
1008 1 26 LEU H 1 26 LEU QB . . 3.670 2.369 2.260 2.484 . 0 0 "[ . 1 .]" 1
1009 1 26 LEU HA 1 26 LEU QD . . 3.750 2.447 2.226 2.636 . 0 0 "[ . 1 .]" 1
1010 1 26 LEU QB 1 26 LEU QD . . 2.620 1.815 1.737 1.891 . 0 0 "[ . 1 .]" 1
1011 1 26 LEU QB 1 27 ALA H . . 3.940 2.799 2.549 2.953 . 0 0 "[ . 1 .]" 1
1012 1 26 LEU QB 1 33 PHE QD . . 3.420 2.130 1.961 2.445 . 0 0 "[ . 1 .]" 1
1013 1 26 LEU QB 1 33 PHE QE . . 3.060 2.589 2.220 2.924 . 0 0 "[ . 1 .]" 1
1014 1 26 LEU QB 1 33 PHE HZ . . 4.650 4.232 3.935 4.522 . 0 0 "[ . 1 .]" 1
1015 1 26 LEU HG 1 73 LEU QD . . 3.450 2.826 2.196 3.355 . 0 0 "[ . 1 .]" 1
1016 1 26 LEU QD 1 27 ALA H . . 4.390 4.165 4.001 4.298 . 0 0 "[ . 1 .]" 1
1017 1 26 LEU QD 1 31 ALA MB . . 3.820 1.943 1.759 2.263 . 0 0 "[ . 1 .]" 1
1018 1 26 LEU QD 1 33 PHE HA . . 4.370 3.586 3.356 3.938 . 0 0 "[ . 1 .]" 1
1019 1 26 LEU QD 1 33 PHE QD . . 3.740 2.240 1.869 2.658 . 0 0 "[ . 1 .]" 1
1020 1 26 LEU QD 1 33 PHE QE . . 4.780 3.402 3.069 3.808 . 0 0 "[ . 1 .]" 1
1021 1 26 LEU QD 1 34 ASN H . . 4.740 4.573 4.335 4.745 0.005 1 0 "[ . 1 .]" 1
1022 1 26 LEU QD 1 60 ILE MD . . 4.410 3.097 2.288 3.777 . 0 0 "[ . 1 .]" 1
1023 1 26 LEU QD 1 73 LEU QD . . 3.630 2.689 2.100 2.937 . 0 0 "[ . 1 .]" 1
1024 1 26 LEU QD 1 86 LEU HA . . 5.440 5.365 5.109 5.470 0.030 15 0 "[ . 1 .]" 1
1025 1 26 LEU QD 1 86 LEU HB3 . . 4.860 4.591 4.506 4.749 . 0 0 "[ . 1 .]" 1
1026 1 27 ALA HA 1 30 GLY QA . . 4.790 3.274 3.061 3.690 . 0 0 "[ . 1 .]" 1
1027 1 28 ARG H 1 28 ARG QB . . 2.750 2.231 2.155 2.278 . 0 0 "[ . 1 .]" 1
1028 1 28 ARG H 1 28 ARG QD . . 4.740 4.433 4.227 4.726 . 0 0 "[ . 1 .]" 1
1029 1 28 ARG QB 1 28 ARG QD . . 3.140 2.118 2.019 2.305 . 0 0 "[ . 1 .]" 1
1030 1 28 ARG QB 1 29 LYS H . . 4.280 2.759 2.235 2.957 . 0 0 "[ . 1 .]" 1
1031 1 28 ARG QD 1 29 LYS H . . 5.020 4.159 2.998 4.836 . 0 0 "[ . 1 .]" 1
1032 1 28 ARG QD 1 29 LYS HA . . 5.340 4.226 3.039 5.291 . 0 0 "[ . 1 .]" 1
1033 1 28 ARG QD 1 29 LYS HB3 . . 5.340 4.425 2.972 5.339 . 0 0 "[ . 1 .]" 1
1034 1 29 LYS H 1 29 LYS QG . . 3.120 2.019 1.905 2.458 . 0 0 "[ . 1 .]" 1
1035 1 29 LYS H 1 29 LYS QD . . 4.450 4.013 3.052 4.415 . 0 0 "[ . 1 .]" 1
1036 1 29 LYS H 1 29 LYS QE . . 4.770 3.988 3.475 4.765 . 0 0 "[ . 1 .]" 1
1037 1 29 LYS H 1 30 GLY QA . . 4.640 4.155 4.033 4.386 . 0 0 "[ . 1 .]" 1
1038 1 29 LYS HA 1 29 LYS QD . . 4.700 4.264 3.361 4.548 . 0 0 "[ . 1 .]" 1
1039 1 29 LYS HB2 1 29 LYS QD . . 3.630 2.611 2.206 3.143 . 0 0 "[ . 1 .]" 1
1040 1 29 LYS HB2 1 29 LYS QE . . 4.390 3.115 1.984 3.911 . 0 0 "[ . 1 .]" 1
1041 1 29 LYS HB2 1 30 GLY QA . . 5.340 4.776 4.387 4.948 . 0 0 "[ . 1 .]" 1
1042 1 29 LYS HB2 1 86 LEU QD . . 3.760 3.359 2.899 3.759 . 0 0 "[ . 1 .]" 1
1043 1 29 LYS HB3 1 29 LYS QE . . 4.520 2.879 2.041 4.025 . 0 0 "[ . 1 .]" 1
1044 1 29 LYS QG 1 31 ALA H . . 4.370 2.863 2.032 4.383 0.013 12 0 "[ . 1 .]" 1
1045 1 29 LYS QG 1 31 ALA MB . . 4.280 2.589 1.901 4.264 . 0 0 "[ . 1 .]" 1
1046 1 29 LYS QG 1 82 LEU HB2 . . 5.340 5.044 4.265 5.364 0.024 2 0 "[ . 1 .]" 1
1047 1 29 LYS QG 1 82 LEU MD1 . . 4.280 3.744 3.196 4.204 . 0 0 "[ . 1 .]" 1
1048 1 29 LYS QG 1 86 LEU QD . . 3.890 3.569 2.494 3.912 0.022 7 0 "[ . 1 .]" 1
1049 1 29 LYS QD 1 82 LEU MD1 . . 3.690 2.170 1.835 3.520 . 0 0 "[ . 1 .]" 1
1050 1 29 LYS QD 1 86 LEU QD . . 3.130 2.554 2.161 3.138 0.008 10 0 "[ . 1 .]" 1
1051 1 29 LYS QE 1 82 LEU HB2 . . 4.800 3.102 1.990 4.783 . 0 0 "[ . 1 .]" 1
1052 1 29 LYS QE 1 82 LEU MD1 . . 4.570 2.622 1.839 3.674 . 0 0 "[ . 1 .]" 1
1053 1 29 LYS QE 1 82 LEU MD2 . . 4.200 2.970 1.920 4.207 0.007 14 0 "[ . 1 .]" 1
1054 1 29 LYS QE 1 86 LEU QD . . 4.510 3.099 1.865 4.484 . 0 0 "[ . 1 .]" 1
1055 1 31 ALA MB 1 86 LEU QD . . 2.960 2.743 2.022 2.970 0.010 7 0 "[ . 1 .]" 1
1056 1 32 GLU H 1 32 GLU QG . . 3.820 3.626 2.085 3.905 0.085 5 0 "[ . 1 .]" 1
1057 1 32 GLU H 1 86 LEU QD . . 5.440 4.663 4.109 5.180 . 0 0 "[ . 1 .]" 1
1058 1 32 GLU HA 1 32 GLU QG . . 3.410 2.586 2.182 3.333 . 0 0 "[ . 1 .]" 1
1059 1 32 GLU QB 1 32 GLU QG . . 2.360 2.042 1.992 2.086 . 0 0 "[ . 1 .]" 1
1060 1 32 GLU QB 1 33 PHE H . . 3.820 3.241 2.531 3.827 0.007 8 0 "[ . 1 .]" 1
1061 1 34 ASN HD21 1 36 ILE QG . . 5.340 3.527 2.375 4.160 . 0 0 "[ . 1 .]" 1
1062 1 34 ASN HD22 1 36 ILE QG . . 5.340 3.316 2.613 4.858 . 0 0 "[ . 1 .]" 1
1063 1 35 GLU H 1 35 GLU QB . . 3.100 2.473 2.228 2.608 . 0 0 "[ . 1 .]" 1
1064 1 35 GLU H 1 35 GLU QG . . 3.190 2.407 1.964 2.913 . 0 0 "[ . 1 .]" 1
1065 1 35 GLU QB 1 36 ILE H . . 3.770 2.625 2.472 2.997 . 0 0 "[ . 1 .]" 1
1066 1 36 ILE HA 1 36 ILE QG . . 3.090 2.489 2.419 3.063 . 0 0 "[ . 1 .]" 1
1067 1 36 ILE QG 1 36 ILE MG . . 3.290 2.260 2.221 2.304 . 0 0 "[ . 1 .]" 1
1068 1 36 ILE MG 1 37 ASP QB . . 4.480 4.144 3.673 4.483 0.003 12 0 "[ . 1 .]" 1
1069 1 36 ILE MD 1 44 LEU QD . . 4.140 2.876 2.260 3.954 . 0 0 "[ . 1 .]" 1
1070 1 37 ASP H 1 37 ASP QB . . 3.040 2.583 2.157 2.938 . 0 0 "[ . 1 .]" 1
1071 1 37 ASP H 1 44 LEU QD . . 4.630 4.078 3.612 4.634 0.004 11 0 "[ . 1 .]" 1
1072 1 37 ASP QB 1 40 ALA H . . 5.340 5.232 4.981 5.339 . 0 0 "[ . 1 .]" 1
1073 1 37 ASP QB 1 40 ALA MB . . 4.180 3.237 3.094 3.396 . 0 0 "[ . 1 .]" 1
1074 1 38 ALA MB 1 44 LEU QD . . 3.830 3.472 2.819 3.841 0.011 11 0 "[ . 1 .]" 1
1075 1 38 ALA MB 1 45 ARG QB . . 4.120 4.083 3.949 4.130 0.010 3 0 "[ . 1 .]" 1
1076 1 38 ALA MB 1 48 MET QB . . 5.340 4.245 3.177 5.204 . 0 0 "[ . 1 .]" 1
1077 1 39 SER H 1 39 SER QB . . 3.450 3.053 2.931 3.448 . 0 0 "[ . 1 .]" 1
1078 1 39 SER H 1 44 LEU QD . . 4.580 4.270 3.865 4.587 0.007 6 0 "[ . 1 .]" 1
1079 1 40 ALA H 1 44 LEU QD . . 4.760 3.778 3.332 4.316 . 0 0 "[ . 1 .]" 1
1080 1 40 ALA MB 1 44 LEU QD . . 3.760 3.507 3.142 3.785 0.025 6 0 "[ . 1 .]" 1
1081 1 41 THR H 1 44 LEU QD . . 4.410 3.491 2.882 4.293 . 0 0 "[ . 1 .]" 1
1082 1 41 THR MG 1 43 GLU QB . . 3.850 2.953 2.654 3.121 . 0 0 "[ . 1 .]" 1
1083 1 41 THR MG 1 43 GLU QG . . 4.850 4.249 3.526 4.553 . 0 0 "[ . 1 .]" 1
1084 1 41 THR MG 1 44 LEU QD . . 3.310 1.873 1.758 1.969 . 0 0 "[ . 1 .]" 1
1085 1 42 PRO HA 1 45 ARG QB . . 4.660 3.147 2.120 4.111 . 0 0 "[ . 1 .]" 1
1086 1 42 PRO QB 1 43 GLU H . . 3.740 3.515 3.458 3.592 . 0 0 "[ . 1 .]" 1
1087 1 43 GLU H 1 43 GLU QB . . 3.130 2.299 2.191 2.497 . 0 0 "[ . 1 .]" 1
1088 1 43 GLU H 1 43 GLU QG . . 4.150 3.176 2.229 4.059 . 0 0 "[ . 1 .]" 1
1089 1 43 GLU HA 1 43 GLU QG . . 3.060 2.518 2.230 3.049 . 0 0 "[ . 1 .]" 1
1090 1 43 GLU QB 1 44 LEU H . . 3.640 2.519 2.178 2.887 . 0 0 "[ . 1 .]" 1
1091 1 43 GLU QB 1 44 LEU HA . . 4.750 3.992 3.807 4.284 . 0 0 "[ . 1 .]" 1
1092 1 43 GLU QB 1 46 ALA MB . . 5.340 4.493 4.019 4.990 . 0 0 "[ . 1 .]" 1
1093 1 43 GLU QG 1 44 LEU H . . 4.860 3.937 3.408 4.448 . 0 0 "[ . 1 .]" 1
1094 1 44 LEU H 1 44 LEU QD . . 3.800 2.732 1.898 3.363 . 0 0 "[ . 1 .]" 1
1095 1 44 LEU HA 1 44 LEU QD . . 3.380 2.120 1.903 2.533 . 0 0 "[ . 1 .]" 1
1096 1 44 LEU HA 1 47 GLU QB . . 3.600 2.955 2.186 3.483 . 0 0 "[ . 1 .]" 1
1097 1 44 LEU HA 1 47 GLU QG . . 5.180 4.282 3.401 5.148 . 0 0 "[ . 1 .]" 1
1098 1 44 LEU HB3 1 44 LEU QD . . 2.950 2.203 1.994 2.394 . 0 0 "[ . 1 .]" 1
1099 1 44 LEU QD 1 47 GLU QB . . 4.160 3.773 3.049 4.162 0.002 3 0 "[ . 1 .]" 1
1100 1 44 LEU QD 1 48 MET H . . 5.440 5.184 4.738 5.440 . 0 0 "[ . 1 .]" 1
1101 1 45 ARG H 1 45 ARG QB . . 3.190 2.336 2.236 2.607 . 0 0 "[ . 1 .]" 1
1102 1 45 ARG H 1 45 ARG QD . . 4.870 4.185 3.602 4.722 . 0 0 "[ . 1 .]" 1
1103 1 45 ARG HA 1 45 ARG QD . . 4.740 4.057 2.206 4.584 . 0 0 "[ . 1 .]" 1
1104 1 45 ARG QB 1 46 ALA MB . . 4.630 4.305 3.884 4.656 0.026 6 0 "[ . 1 .]" 1
1105 1 45 ARG QD 1 46 ALA H . . 5.120 4.436 2.707 5.099 . 0 0 "[ . 1 .]" 1
1106 1 46 ALA HA 1 49 GLN QB . . 3.240 2.466 2.157 2.695 . 0 0 "[ . 1 .]" 1
1107 1 46 ALA HA 1 49 GLN QG . . 3.910 3.707 1.974 3.915 0.005 10 0 "[ . 1 .]" 1
1108 1 46 ALA MB 1 47 GLU QB . . 4.630 4.028 3.801 4.332 . 0 0 "[ . 1 .]" 1
1109 1 46 ALA MB 1 49 GLN QB . . 4.100 3.819 3.607 4.064 . 0 0 "[ . 1 .]" 1
1110 1 47 GLU H 1 47 GLU QB . . 2.850 2.247 2.175 2.421 . 0 0 "[ . 1 .]" 1
1111 1 48 MET H 1 48 MET QB . . 3.070 2.379 2.132 2.656 . 0 0 "[ . 1 .]" 1
1112 1 48 MET QB 1 49 GLN HA . . 5.190 4.091 3.903 4.589 . 0 0 "[ . 1 .]" 1
1113 1 49 GLN H 1 49 GLN QB . . 2.840 2.232 2.179 2.250 . 0 0 "[ . 1 .]" 1
1114 1 49 GLN HA 1 49 GLN QG . . 3.600 2.873 2.469 3.276 . 0 0 "[ . 1 .]" 1
1115 1 49 GLN HA 1 52 SER QB . . 3.890 2.767 1.986 3.708 . 0 0 "[ . 1 .]" 1
1116 1 49 GLN QB 1 50 GLU H . . 4.460 2.971 2.322 3.620 . 0 0 "[ . 1 .]" 1
1117 1 49 GLN QG 1 50 GLU H . . 4.720 3.640 2.314 4.252 . 0 0 "[ . 1 .]" 1
1118 1 49 GLN QG 1 50 GLU HA . . 4.760 3.688 3.009 4.440 . 0 0 "[ . 1 .]" 1
1119 1 50 GLU H 1 50 GLU QG . . 4.070 3.993 3.938 4.043 . 0 0 "[ . 1 .]" 1
1120 1 50 GLU H 1 52 SER QB . . 5.340 4.796 4.232 5.265 . 0 0 "[ . 1 .]" 1
1121 1 50 GLU HA 1 50 GLU QG . . 3.540 2.797 2.457 3.154 . 0 0 "[ . 1 .]" 1
1122 1 50 GLU HB3 1 50 GLU QG . . 2.490 2.207 2.138 2.356 . 0 0 "[ . 1 .]" 1
1123 1 50 GLU QG 1 51 ARG HA . . 3.850 3.630 3.401 3.825 . 0 0 "[ . 1 .]" 1
1124 1 50 GLU QG 1 51 ARG QG . . 3.710 3.295 2.156 3.713 0.003 10 0 "[ . 1 .]" 1
1125 1 50 GLU QG 1 51 ARG QD . . 3.920 3.048 1.941 3.925 0.005 13 0 "[ . 1 .]" 1
1126 1 51 ARG H 1 51 ARG QG . . 3.930 2.975 2.125 3.914 . 0 0 "[ . 1 .]" 1
1127 1 51 ARG H 1 51 ARG QD . . 5.140 3.554 2.452 4.359 . 0 0 "[ . 1 .]" 1
1128 1 51 ARG HA 1 51 ARG QD . . 4.170 2.552 1.991 3.823 . 0 0 "[ . 1 .]" 1
1129 1 51 ARG QG 1 52 SER H . . 4.850 4.321 3.907 4.852 0.002 10 0 "[ . 1 .]" 1
1130 1 54 ARG H 1 54 ARG QB . . 3.620 2.529 2.191 3.403 . 0 0 "[ . 1 .]" 1
1131 1 54 ARG H 1 54 ARG QG . . 3.490 2.649 2.059 3.356 . 0 0 "[ . 1 .]" 1
1132 1 54 ARG QB 1 55 ASN H . . 3.740 2.667 1.890 3.676 . 0 0 "[ . 1 .]" 1
1133 1 54 ARG QB 1 56 THR H . . 3.640 2.888 2.474 3.505 . 0 0 "[ . 1 .]" 1
1134 1 54 ARG QB 1 56 THR MG . . 4.190 2.813 2.133 4.194 0.004 1 0 "[ . 1 .]" 1
1135 1 54 ARG QD 1 56 THR H . . 5.220 4.684 3.857 5.222 0.002 10 0 "[ . 1 .]" 1
1136 1 55 ASN HA 1 55 ASN QD . . 4.480 3.160 2.004 4.077 . 0 0 "[ . 1 .]" 1
1137 1 55 ASN QB 1 56 THR HA . . 4.670 4.463 4.096 4.978 0.308 15 0 "[ . 1 .]" 1
1138 1 55 ASN QD 1 56 THR H . . 4.790 4.895 4.033 5.726 0.936 8 3 "[ -. + 1 * .]" 1
1139 1 57 PHE QD 1 59 GLN QE . . 4.530 3.428 2.542 4.425 . 0 0 "[ . 1 .]" 1
1140 1 57 PHE QE 1 59 GLN QE . . 4.340 3.420 2.514 3.962 . 0 0 "[ . 1 .]" 1
1141 1 58 PRO HB2 1 59 GLN QB . . 4.970 4.541 4.326 4.694 . 0 0 "[ . 1 .]" 1
1142 1 59 GLN H 1 59 GLN QB . . 3.410 2.521 2.221 2.680 . 0 0 "[ . 1 .]" 1
1143 1 59 GLN H 1 59 GLN QE . . 4.690 3.755 2.682 4.688 . 0 0 "[ . 1 .]" 1
1144 1 59 GLN H 1 60 ILE QG . . 5.340 4.984 4.780 5.132 . 0 0 "[ . 1 .]" 1
1145 1 59 GLN HA 1 59 GLN QE . . 4.690 2.929 2.212 3.321 . 0 0 "[ . 1 .]" 1
1146 1 59 GLN QB 1 60 ILE H . . 4.330 3.171 2.674 3.786 . 0 0 "[ . 1 .]" 1
1147 1 59 GLN QE 1 60 ILE H . . 5.340 4.630 4.014 5.142 . 0 0 "[ . 1 .]" 1
1148 1 60 ILE H 1 60 ILE QG . . 3.930 2.445 2.154 2.775 . 0 0 "[ . 1 .]" 1
1149 1 60 ILE HB 1 67 VAL QG . . 3.000 2.128 1.865 2.613 . 0 0 "[ . 1 .]" 1
1150 1 60 ILE QG 1 61 PHE H . . 5.340 4.522 4.459 4.725 . 0 0 "[ . 1 .]" 1
1151 1 60 ILE QG 1 72 ASP H . . 5.340 5.237 4.966 5.355 0.015 2 0 "[ . 1 .]" 1
1152 1 60 ILE QG 1 73 LEU H . . 4.500 3.958 3.647 4.240 . 0 0 "[ . 1 .]" 1
1153 1 60 ILE QG 1 73 LEU HB2 . . 3.930 2.413 1.984 2.881 . 0 0 "[ . 1 .]" 1
1154 1 60 ILE QG 1 73 LEU HB3 . . 3.730 3.174 2.769 3.457 . 0 0 "[ . 1 .]" 1
1155 1 60 ILE QG 1 73 LEU QD . . 3.480 2.444 2.005 2.929 . 0 0 "[ . 1 .]" 1
1156 1 60 ILE MD 1 73 LEU QD . . 2.630 2.403 1.955 2.652 0.022 15 0 "[ . 1 .]" 1
1157 1 62 ILE H 1 62 ILE QG . . 4.530 2.241 1.963 2.774 . 0 0 "[ . 1 .]" 1
1158 1 62 ILE H 1 65 VAL QG . . 4.960 3.674 1.945 4.272 . 0 0 "[ . 1 .]" 1
1159 1 62 ILE H 1 67 VAL QG . . 4.140 3.225 2.532 3.992 . 0 0 "[ . 1 .]" 1
1160 1 62 ILE QG 1 65 VAL QG . . 4.290 2.926 2.363 3.786 . 0 0 "[ . 1 .]" 1
1161 1 62 ILE MD 1 65 VAL QG . . 3.570 2.786 2.206 3.591 0.021 15 0 "[ . 1 .]" 1
1162 1 63 GLY QA 1 65 VAL H . . 4.620 3.661 3.478 4.320 . 0 0 "[ . 1 .]" 1
1163 1 64 SER H 1 64 SER QB . . 3.690 2.779 2.424 3.429 . 0 0 "[ . 1 .]" 1
1164 1 64 SER H 1 65 VAL QG . . 4.380 3.360 2.822 4.188 . 0 0 "[ . 1 .]" 1
1165 1 64 SER QB 1 65 VAL QG . . 4.840 3.644 3.231 4.592 . 0 0 "[ . 1 .]" 1
1166 1 65 VAL H 1 65 VAL QG . . 3.060 2.584 2.058 2.964 . 0 0 "[ . 1 .]" 1
1167 1 65 VAL HA 1 66 HIS QB . . 4.420 4.009 3.980 4.108 . 0 0 "[ . 1 .]" 1
1168 1 65 VAL HA 1 91 LEU QB . . 4.800 4.732 4.477 4.817 0.017 3 0 "[ . 1 .]" 1
1169 1 65 VAL HB 1 67 VAL QG . . 5.440 3.814 3.273 4.853 . 0 0 "[ . 1 .]" 1
1170 1 65 VAL HB 1 91 LEU QB . . 5.180 4.468 4.001 5.047 . 0 0 "[ . 1 .]" 1
1171 1 65 VAL HB 1 91 LEU QD . . 4.240 4.178 3.792 4.246 0.006 6 0 "[ . 1 .]" 1
1172 1 65 VAL QG 1 66 HIS H . . 3.440 2.234 1.956 2.912 . 0 0 "[ . 1 .]" 1
1173 1 65 VAL QG 1 67 VAL HA . . 4.620 4.211 3.908 4.446 . 0 0 "[ . 1 .]" 1
1174 1 65 VAL QG 1 90 LYS HA . . 4.050 2.475 1.910 3.362 . 0 0 "[ . 1 .]" 1
1175 1 65 VAL QG 1 90 LYS QB . . 5.280 3.978 3.506 4.602 . 0 0 "[ . 1 .]" 1
1176 1 65 VAL QG 1 91 LEU H . . 3.600 2.591 1.916 3.065 . 0 0 "[ . 1 .]" 1
1177 1 65 VAL QG 1 91 LEU QB . . 3.480 2.057 1.884 2.302 . 0 0 "[ . 1 .]" 1
1178 1 65 VAL QG 1 91 LEU HG . . 4.290 3.662 2.798 4.227 . 0 0 "[ . 1 .]" 1
1179 1 65 VAL QG 1 91 LEU QD . . 2.950 1.984 1.816 2.478 . 0 0 "[ . 1 .]" 1
1180 1 66 HIS H 1 66 HIS QB . . 3.070 2.358 2.212 2.509 . 0 0 "[ . 1 .]" 1
1181 1 66 HIS H 1 91 LEU QD . . 5.120 3.963 3.097 4.573 . 0 0 "[ . 1 .]" 1
1182 1 66 HIS HA 1 67 VAL QG . . 3.800 3.576 3.266 3.793 . 0 0 "[ . 1 .]" 1
1183 1 66 HIS QB 1 67 VAL H . . 4.260 3.650 3.342 3.963 . 0 0 "[ . 1 .]" 1
1184 1 67 VAL H 1 67 VAL QG . . 3.050 2.638 2.057 2.937 . 0 0 "[ . 1 .]" 1
1185 1 67 VAL HA 1 67 VAL QG . . 2.990 2.134 2.047 2.332 . 0 0 "[ . 1 .]" 1
1186 1 67 VAL HA 1 68 GLY QA . . 4.380 3.918 3.897 4.000 . 0 0 "[ . 1 .]" 1
1187 1 67 VAL QG 1 68 GLY H . . 3.790 2.539 2.193 3.299 . 0 0 "[ . 1 .]" 1
1188 1 67 VAL QG 1 68 GLY QA . . 4.410 3.431 3.160 3.547 . 0 0 "[ . 1 .]" 1
1189 1 67 VAL QG 1 69 GLY H . . 4.500 2.405 1.908 3.205 . 0 0 "[ . 1 .]" 1
1190 1 67 VAL QG 1 72 ASP H . . 4.780 3.748 3.152 4.125 . 0 0 "[ . 1 .]" 1
1191 1 67 VAL QG 1 72 ASP HB2 . . 3.880 2.243 1.916 2.976 . 0 0 "[ . 1 .]" 1
1192 1 67 VAL QG 1 72 ASP HB3 . . 3.980 2.487 1.991 3.000 . 0 0 "[ . 1 .]" 1
1193 1 67 VAL QG 1 73 LEU H . . 3.940 3.099 2.766 3.669 . 0 0 "[ . 1 .]" 1
1194 1 67 VAL QG 1 73 LEU HA . . 3.650 3.364 2.879 3.657 0.007 4 0 "[ . 1 .]" 1
1195 1 67 VAL QG 1 73 LEU HB2 . . 3.800 3.136 2.770 3.730 . 0 0 "[ . 1 .]" 1
1196 1 67 VAL QG 1 73 LEU HB3 . . 4.940 4.137 3.775 4.737 . 0 0 "[ . 1 .]" 1
1197 1 67 VAL QG 1 76 LEU HG . . 4.520 4.390 4.195 4.530 0.010 8 0 "[ . 1 .]" 1
1198 1 67 VAL QG 1 76 LEU MD1 . . 3.100 3.045 2.829 3.113 0.013 8 0 "[ . 1 .]" 1
1199 1 69 GLY QA 1 72 ASP H . . 4.380 3.844 2.953 4.382 0.002 15 0 "[ . 1 .]" 1
1200 1 73 LEU H 1 73 LEU QD . . 4.730 3.628 3.456 3.740 . 0 0 "[ . 1 .]" 1
1201 1 73 LEU HA 1 73 LEU QD . . 3.440 2.868 1.911 3.207 . 0 0 "[ . 1 .]" 1
1202 1 73 LEU QD 1 74 TYR HA . . 4.050 3.002 2.388 4.051 0.001 4 0 "[ . 1 .]" 1
1203 1 73 LEU QD 1 74 TYR QD . . 5.340 3.055 1.975 4.091 . 0 0 "[ . 1 .]" 1
1204 1 73 LEU QD 1 75 ALA H . . 5.440 4.790 4.522 5.432 . 0 0 "[ . 1 .]" 1
1205 1 73 LEU QD 1 77 GLU H . . 5.440 4.517 4.150 5.016 . 0 0 "[ . 1 .]" 1
1206 1 73 LEU QD 1 77 GLU QB . . 4.660 3.830 3.368 4.425 . 0 0 "[ . 1 .]" 1
1207 1 74 TYR HA 1 77 GLU QB . . 3.650 2.685 2.452 2.984 . 0 0 "[ . 1 .]" 1
1208 1 75 ALA HA 1 79 GLU QG . . 4.560 4.036 3.727 4.298 . 0 0 "[ . 1 .]" 1
1209 1 75 ALA MB 1 79 GLU QG . . 3.740 3.448 3.270 3.566 . 0 0 "[ . 1 .]" 1
1210 1 76 LEU H 1 79 GLU QG . . 5.340 4.679 4.531 4.828 . 0 0 "[ . 1 .]" 1
1211 1 76 LEU HA 1 79 GLU QG . . 4.260 3.209 2.961 3.431 . 0 0 "[ . 1 .]" 1
1212 1 76 LEU HA 1 81 LYS QG . . 4.860 4.152 2.495 4.735 . 0 0 "[ . 1 .]" 1
1213 1 76 LEU MD2 1 81 LYS QG . . 4.340 3.674 2.022 4.158 . 0 0 "[ . 1 .]" 1
1214 1 76 LEU MD2 1 81 LYS QD . . 3.320 2.464 1.997 3.321 0.001 15 0 "[ . 1 .]" 1
1215 1 77 GLU H 1 77 GLU QB . . 2.920 2.231 2.063 2.549 . 0 0 "[ . 1 .]" 1
1216 1 77 GLU H 1 79 GLU QG . . 5.340 5.299 5.176 5.344 0.004 6 0 "[ . 1 .]" 1
1217 1 77 GLU QB 1 78 ASP H . . 3.200 2.764 2.611 2.903 . 0 0 "[ . 1 .]" 1
1218 1 77 GLU QB 1 82 LEU HB2 . . 4.660 4.046 3.582 4.648 . 0 0 "[ . 1 .]" 1
1219 1 77 GLU QB 1 82 LEU HB3 . . 3.720 3.166 2.695 3.722 0.002 13 0 "[ . 1 .]" 1
1220 1 77 GLU QB 1 82 LEU MD2 . . 4.430 2.832 2.416 3.279 . 0 0 "[ . 1 .]" 1
1221 1 78 ASP HB2 1 79 GLU QG . . 3.880 3.430 3.317 3.537 . 0 0 "[ . 1 .]" 1
1222 1 78 ASP HB3 1 79 GLU QG . . 3.840 3.706 3.558 3.841 0.001 14 0 "[ . 1 .]" 1
1223 1 79 GLU H 1 79 GLU QG . . 3.380 2.026 1.940 2.296 . 0 0 "[ . 1 .]" 1
1224 1 79 GLU HB2 1 81 LYS QG . . 3.860 2.999 1.966 3.576 . 0 0 "[ . 1 .]" 1
1225 1 79 GLU HB2 1 81 LYS QD . . 3.800 3.088 2.334 3.663 . 0 0 "[ . 1 .]" 1
1226 1 79 GLU HB2 1 81 LYS QE . . 3.420 2.588 1.913 3.352 . 0 0 "[ . 1 .]" 1
1227 1 79 GLU HB3 1 81 LYS QG . . 4.030 3.581 3.040 4.028 . 0 0 "[ . 1 .]" 1
1228 1 79 GLU HB3 1 81 LYS QD . . 4.350 3.731 3.314 4.180 . 0 0 "[ . 1 .]" 1
1229 1 79 GLU HB3 1 81 LYS QE . . 3.570 2.441 2.017 3.596 0.026 15 0 "[ . 1 .]" 1
1230 1 79 GLU QG 1 81 LYS QD . . 4.250 3.830 3.268 4.329 0.079 15 0 "[ . 1 .]" 1
1231 1 79 GLU QG 1 81 LYS QE . . 3.820 3.198 2.274 3.768 . 0 0 "[ . 1 .]" 1
1232 1 80 GLY H 1 81 LYS QG . . 4.590 3.819 3.316 4.211 . 0 0 "[ . 1 .]" 1
1233 1 80 GLY H 1 81 LYS QD . . 5.340 4.960 4.346 5.362 0.022 15 0 "[ . 1 .]" 1
1234 1 80 GLY QA 1 81 LYS H . . 3.080 2.685 2.578 2.858 . 0 0 "[ . 1 .]" 1
1235 1 81 LYS H 1 81 LYS QG . . 4.300 2.872 2.035 3.217 . 0 0 "[ . 1 .]" 1
1236 1 81 LYS H 1 81 LYS QE . . 4.920 4.426 3.541 4.862 . 0 0 "[ . 1 .]" 1
1237 1 81 LYS HB2 1 81 LYS QE . . 4.390 3.438 2.072 3.933 . 0 0 "[ . 1 .]" 1
1238 1 81 LYS QE 1 81 LYS QG . . 2.910 2.177 2.036 2.317 . 0 0 "[ . 1 .]" 1
1239 1 82 LEU HA 1 85 LEU QD . . 2.990 2.631 2.465 2.825 . 0 0 "[ . 1 .]" 1
1240 1 82 LEU HA 1 86 LEU QD . . 4.160 4.095 3.930 4.164 0.004 9 0 "[ . 1 .]" 1
1241 1 82 LEU HB2 1 86 LEU QD . . 3.150 3.090 2.781 3.161 0.011 2 0 "[ . 1 .]" 1
1242 1 83 ASP H 1 83 ASP QB . . 2.940 2.272 2.062 2.694 . 0 0 "[ . 1 .]" 1
1243 1 83 ASP H 1 86 LEU QD . . 4.420 4.010 3.900 4.091 . 0 0 "[ . 1 .]" 1
1244 1 83 ASP HA 1 86 LEU QD . . 3.910 2.465 2.296 2.564 . 0 0 "[ . 1 .]" 1
1245 1 83 ASP QB 1 84 SER H . . 3.130 2.265 2.005 2.696 . 0 0 "[ . 1 .]" 1
1246 1 83 ASP QB 1 86 LEU HG . . 4.850 4.508 4.238 4.650 . 0 0 "[ . 1 .]" 1
1247 1 84 SER H 1 84 SER QB . . 3.000 2.546 2.191 2.925 . 0 0 "[ . 1 .]" 1
1248 1 84 SER QB 1 85 LEU H . . 3.400 3.083 2.819 3.403 0.003 1 0 "[ . 1 .]" 1
1249 1 85 LEU HB2 1 85 LEU QD . . 3.030 2.094 1.979 2.140 . 0 0 "[ . 1 .]" 1
1250 1 85 LEU QD 1 86 LEU H . . 3.260 2.630 2.336 3.221 . 0 0 "[ . 1 .]" 1
1251 1 85 LEU QD 1 86 LEU HA . . 3.160 2.665 2.443 2.980 . 0 0 "[ . 1 .]" 1
1252 1 85 LEU QD 1 86 LEU HB3 . . 3.280 2.660 2.396 3.155 . 0 0 "[ . 1 .]" 1
1253 1 86 LEU H 1 86 LEU QD . . 3.610 2.916 2.839 2.969 . 0 0 "[ . 1 .]" 1
1254 1 86 LEU HB2 1 86 LEU QD . . 2.870 1.984 1.929 2.034 . 0 0 "[ . 1 .]" 1
1255 1 86 LEU QD 1 87 LYS H . . 3.990 2.816 2.614 3.091 . 0 0 "[ . 1 .]" 1
1256 1 86 LEU QD 1 88 THR H . . 4.740 4.532 4.365 4.745 0.005 6 0 "[ . 1 .]" 1
1257 1 87 LYS H 1 87 LYS QG . . 4.190 3.970 3.874 4.056 . 0 0 "[ . 1 .]" 1
1258 1 87 LYS H 1 87 LYS QE . . 5.340 4.710 4.291 4.888 . 0 0 "[ . 1 .]" 1
1259 1 87 LYS HA 1 87 LYS QE . . 4.340 2.414 2.056 3.537 . 0 0 "[ . 1 .]" 1
1260 1 87 LYS HB2 1 87 LYS QE . . 3.910 3.585 2.109 3.954 0.044 10 0 "[ . 1 .]" 1
1261 1 87 LYS QG 1 88 THR H . . 5.090 4.299 3.627 4.653 . 0 0 "[ . 1 .]" 1
1262 1 87 LYS QD 1 88 THR H . . 5.270 4.274 3.729 5.211 . 0 0 "[ . 1 .]" 1
1263 1 88 THR H 1 89 GLY QA . . 4.420 3.677 3.609 3.773 . 0 0 "[ . 1 .]" 1
1264 1 90 LYS H 1 90 LYS QB . . 3.190 2.649 2.318 3.017 . 0 0 "[ . 1 .]" 1
1265 1 90 LYS H 1 90 LYS QG . . 4.440 3.764 2.192 4.213 . 0 0 "[ . 1 .]" 1
1266 1 90 LYS HA 1 91 LEU QD . . 4.420 3.473 3.029 4.288 . 0 0 "[ . 1 .]" 1
1267 1 90 LYS QB 1 91 LEU H . . 3.770 3.222 2.149 3.754 . 0 0 "[ . 1 .]" 1
1268 1 90 LYS QB 1 91 LEU QD . . 4.850 4.296 3.246 4.856 0.006 3 0 "[ . 1 .]" 1
1269 1 90 LYS QB 1 92 ILE H . . 3.870 3.200 2.516 4.055 0.185 6 0 "[ . 1 .]" 1
1270 1 90 LYS QB 1 92 ILE MG . . 5.340 4.760 2.249 5.708 0.368 6 0 "[ . 1 .]" 1
1271 1 90 LYS QG 1 91 LEU H . . 4.580 2.704 2.096 3.385 . 0 0 "[ . 1 .]" 1
1272 1 90 LYS QG 1 92 ILE HB . . 5.120 3.788 2.577 5.050 . 0 0 "[ . 1 .]" 1
1273 1 90 LYS QD 1 92 ILE H . . 4.780 2.632 1.957 3.338 . 0 0 "[ . 1 .]" 1
1274 1 90 LYS QD 1 92 ILE HB . . 5.340 2.730 2.064 5.146 . 0 0 "[ . 1 .]" 1
1275 1 90 LYS QD 1 92 ILE MG . . 3.280 3.168 2.033 3.719 0.439 8 0 "[ . 1 .]" 1
1276 1 91 LEU H 1 91 LEU QB . . 3.370 2.722 2.566 2.951 . 0 0 "[ . 1 .]" 1
1277 1 91 LEU H 1 91 LEU QD . . 3.580 2.237 1.902 2.898 . 0 0 "[ . 1 .]" 1
1278 1 91 LEU HA 1 91 LEU QD . . 3.720 3.382 3.277 3.458 . 0 0 "[ . 1 .]" 1
1279 1 91 LEU QD 1 92 ILE H . . 3.490 3.076 2.464 3.396 . 0 0 "[ . 1 .]" 1
1280 1 91 LEU QD 1 92 ILE HB . . 4.900 4.025 2.085 4.984 0.084 1 0 "[ . 1 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 780
_Distance_constraint_stats_list.Viol_total 7063.741
_Distance_constraint_stats_list.Viol_max 1.269
_Distance_constraint_stats_list.Viol_rms 0.3236
_Distance_constraint_stats_list.Viol_average_all_restraints 0.6037
_Distance_constraint_stats_list.Viol_average_violations_only 0.6037
_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 9 ILE 16.737 0.593 4 3 "[ * +. 1 - .]"
1 10 ILE 8.393 0.533 7 1 "[ . + 1 .]"
1 11 TYR 44.069 1.256 12 15 [*********-*+***]
1 12 THR 52.586 0.983 12 15 [**********-+***]
1 19 CYS 31.948 1.269 12 15 [******-****+***]
1 20 ALA 8.505 0.583 4 2 "[ +* 1 .]"
1 21 ARG 24.059 1.092 11 13 "[***-******+* *.]"
1 22 ALA 21.912 1.117 2 15 [*+***-*********]
1 23 LYS 41.812 1.269 12 15 [*****-*****+***]
1 24 ALA 27.070 1.013 12 12 "[****** * *-+ **]"
1 25 LEU 41.987 1.092 11 15 [-*********+****]
1 26 LEU 31.237 1.117 2 15 [*+***-*********]
1 27 ALA 9.864 0.550 10 4 "[ * .- + *]"
1 28 ARG 18.565 1.013 12 11 "[****.* * *-+ **]"
1 29 LYS 17.928 0.856 10 14 "[-********+* ***]"
1 31 ALA 9.325 0.535 12 1 "[ . 1 + .]"
1 34 ASN 8.393 0.533 7 1 "[ . + 1 .]"
1 36 ILE 52.586 0.983 12 15 [**********-+***]
1 59 GLN 44.069 1.256 12 15 [*********-*+***]
1 60 ILE 51.176 1.129 8 15 [*******+*****-*]
1 61 PHE 16.737 0.593 4 3 "[ * +. 1 - .]"
1 62 ILE 26.218 1.157 5 15 [****+*******-**]
1 65 VAL 26.218 1.157 5 15 [****+*******-**]
1 67 VAL 51.176 1.129 8 15 [*******+*****-*]
1 69 GLY 9.470 0.691 11 4 "[ -* *+ .]"
1 70 SER 10.731 1.073 4 3 "[ +. -* .]"
1 71 ASP 24.267 1.075 2 14 "[*+* ****-******]"
1 72 ASP 14.411 0.914 10 10 "[ **-***+*** .]"
1 73 LEU 38.174 1.140 15 15 [***-**********+]
1 74 TYR 28.739 1.073 4 12 "[**-+* ****** *]"
1 75 ALA 24.267 1.075 2 14 "[*+* ****-******]"
1 76 LEU 14.411 0.914 10 10 "[ **-***+*** .]"
1 77 GLU 28.704 1.140 15 15 [*****-********+]
1 78 ASP 18.008 1.007 11 10 "[**- * **1+** *]"
1 82 LEU 7.212 0.404 12 0 "[ . 1 .]"
1 83 ASP 16.826 0.980 6 10 "[** **+**-1 **]"
1 86 LEU 7.212 0.404 12 0 "[ . 1 .]"
1 87 LYS 16.826 0.980 6 10 "[** **+**-1 **]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE H 1 61 PHE O . . 1.730 1.975 1.802 2.168 0.438 2 0 "[ . 1 .]" 2
2 1 9 ILE N 1 61 PHE O . . 2.516 2.908 2.749 3.109 0.593 4 3 "[ * +. 1 - .]" 2
3 1 10 ILE H 1 34 ASN O . . 1.730 1.922 1.799 2.088 0.358 7 0 "[ . 1 .]" 2
4 1 10 ILE N 1 34 ASN O . . 2.516 2.884 2.775 3.049 0.533 7 1 "[ . + 1 .]" 2
5 1 11 TYR H 1 59 GLN O . . 1.730 2.010 1.828 2.124 0.394 8 0 "[ . 1 .]" 2
6 1 11 TYR N 1 59 GLN O . . 2.516 2.947 2.747 3.063 0.547 8 3 "[ * . + - .]" 2
7 1 12 THR H 1 36 ILE O . . 1.730 2.651 2.510 2.713 0.983 10 15 [***-*****+*****] 2
8 1 12 THR N 1 36 ILE O . . 2.516 3.327 3.142 3.456 0.940 1 15 [+*************-] 2
9 1 19 CYS O 1 23 LYS H . . 1.730 2.729 2.451 2.828 1.098 13 15 [******-*****+**] 2
10 1 19 CYS O 1 23 LYS N . . 2.516 3.647 3.381 3.785 1.269 12 15 [******-****+***] 2
11 1 21 ARG O 1 25 LEU H . . 1.730 2.462 1.959 2.707 0.977 1 11 "[+**-* ***1** *.]" 2
12 1 21 ARG O 1 25 LEU N . . 2.516 3.388 2.929 3.608 1.092 11 13 "[*****-****+* *.]" 2
13 1 22 ALA O 1 26 LEU H . . 1.730 2.372 2.084 2.683 0.953 2 11 "[*+*** *** * *-]" 2
14 1 22 ALA O 1 26 LEU N . . 2.516 3.335 3.036 3.633 1.117 2 15 [*+***-*********] 2
15 1 23 LYS O 1 27 ALA H . . 1.730 2.062 1.796 2.265 0.535 10 3 "[ * .- + .]" 2
16 1 23 LYS O 1 27 ALA N . . 2.516 2.842 2.746 3.066 0.550 10 2 "[ . + -]" 2
17 1 24 ALA O 1 28 ARG H . . 1.730 2.372 1.918 2.700 0.970 12 11 "[***-.* * **+ **]" 2
18 1 24 ALA O 1 28 ARG N . . 2.516 3.112 2.810 3.529 1.013 12 9 "[*** .* * *-+ *]" 2
19 1 25 LEU O 1 29 LYS H . . 1.730 2.294 2.053 2.489 0.759 6 11 "[-****+ *** **.]" 2
20 1 25 LEU O 1 29 LYS N . . 2.516 3.147 2.836 3.372 0.856 10 14 "[******-**+* ***]" 2
21 1 12 THR O 1 36 ILE H . . 1.730 2.686 2.551 2.713 0.983 12 15 [********-**+***] 2
22 1 12 THR O 1 36 ILE N . . 2.516 3.333 3.013 3.488 0.972 2 14 "[*+****** *-****]" 2
23 1 11 TYR O 1 59 GLN H . . 1.730 2.769 2.655 2.819 1.089 12 15 [******-****+***] 2
24 1 11 TYR O 1 59 GLN N . . 2.516 3.704 3.587 3.772 1.256 12 15 [****-******+***] 2
25 1 9 ILE O 1 61 PHE H . . 1.730 1.972 1.798 2.170 0.440 9 0 "[ . 1 .]" 2
26 1 9 ILE O 1 61 PHE N . . 2.516 2.752 2.736 2.815 0.299 5 0 "[ . 1 .]" 2
27 1 26 LEU O 1 31 ALA H . . 1.730 2.080 1.825 2.265 0.535 12 1 "[ . 1 + .]" 2
28 1 26 LEU O 1 31 ALA N . . 2.516 2.787 2.740 2.977 0.461 12 0 "[ . 1 .]" 2
29 1 62 ILE H 1 65 VAL O . . 1.730 2.535 2.307 2.704 0.974 15 15 [************-*+] 2
30 1 62 ILE N 1 65 VAL O . . 2.516 3.459 3.240 3.673 1.157 5 15 [****+*******-**] 2
31 1 60 ILE O 1 67 VAL H . . 1.730 2.593 2.212 2.710 0.980 2 14 "[*+***-******* *]" 2
32 1 60 ILE O 1 67 VAL N . . 2.516 3.298 3.044 3.518 1.002 2 15 [*+***********-*] 2
33 1 69 GLY O 1 73 LEU H . . 1.730 1.965 1.794 2.338 0.608 10 3 "[ -. +* .]" 2
34 1 69 GLY O 1 73 LEU N . . 2.516 2.913 2.752 3.207 0.691 11 4 "[ *- *+ .]" 2
35 1 70 SER O 1 74 TYR H . . 1.730 2.028 1.804 2.703 0.973 4 3 "[ +. -* .]" 2
36 1 70 SER O 1 74 TYR N . . 2.516 2.933 2.744 3.589 1.073 4 3 "[ +. -* .]" 2
37 1 71 ASP O 1 75 ALA H . . 1.730 2.502 2.079 2.710 0.980 13 13 "[ ** ****-***+**]" 2
38 1 71 ASP O 1 75 ALA N . . 2.516 3.361 2.958 3.591 1.075 2 14 "[-+* ***********]" 2
39 1 72 ASP O 1 76 LEU H . . 1.730 2.129 1.798 2.470 0.740 10 3 "[ -. +* .]" 2
40 1 72 ASP O 1 76 LEU N . . 2.516 3.078 2.743 3.430 0.914 10 10 "[ **-***+*** .]" 2
41 1 73 LEU O 1 77 GLU H . . 1.730 2.625 2.366 2.750 1.020 15 15 [*****-********+] 2
42 1 73 LEU O 1 77 GLU N . . 2.516 3.535 3.313 3.656 1.140 15 15 [*****-********+] 2
43 1 74 TYR O 1 78 ASP H . . 1.730 2.301 1.992 2.691 0.961 11 9 "[** * **1+*- *]" 2
44 1 74 TYR O 1 78 ASP N . . 2.516 3.145 2.860 3.523 1.007 11 10 "[**- * **1+** *]" 2
45 1 82 LEU O 1 86 LEU H . . 1.730 1.890 1.796 1.966 0.236 3 0 "[ . 1 .]" 2
46 1 82 LEU O 1 86 LEU N . . 2.516 2.837 2.761 2.920 0.404 12 0 "[ . 1 .]" 2
47 1 83 ASP O 1 87 LYS H . . 1.730 2.344 1.986 2.710 0.980 6 10 "[** **+**-1 **]" 2
48 1 83 ASP O 1 87 LYS N . . 2.516 3.023 2.747 3.357 0.841 7 9 "[** ***+ -1 **]" 2
49 1 20 ALA O 1 24 ALA H . . 1.730 2.012 1.845 2.313 0.583 4 2 "[ +- 1 .]" 2
50 1 20 ALA O 1 24 ALA N . . 2.516 2.801 2.746 3.070 0.554 4 1 "[ +. 1 .]" 2
51 1 60 ILE H 1 67 VAL O . . 1.730 2.616 2.290 2.729 0.999 2 15 [*+*-***********] 2
52 1 60 ILE N 1 67 VAL O . . 2.516 3.397 2.925 3.645 1.129 8 13 "[*** ***+*1-****]" 2
stop_
save_
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