NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635235 |
6fe6   |
34225 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6fe6
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 945
_Distance_constraint_stats_list.Viol_count 952
_Distance_constraint_stats_list.Viol_total 787.990
_Distance_constraint_stats_list.Viol_max 0.328
_Distance_constraint_stats_list.Viol_rms 0.0157
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0026
_Distance_constraint_stats_list.Viol_average_violations_only 0.0460
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 2 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 4 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 6 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 7 GLN 0.843 0.168 1 0 "[ . 1 . ]"
1 8 VAL 0.897 0.168 1 0 "[ . 1 . ]"
1 9 GLU 0.057 0.016 2 0 "[ . 1 . ]"
1 10 GLY 0.044 0.016 2 0 "[ . 1 . ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 12 VAL 0.377 0.088 1 0 "[ . 1 . ]"
1 13 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 14 VAL 1.995 0.276 13 0 "[ . 1 . ]"
1 15 VAL 0.181 0.056 15 0 "[ . 1 . ]"
1 16 SER 0.137 0.046 15 0 "[ . 1 . ]"
1 17 THR 1.793 0.146 10 0 "[ . 1 . ]"
1 18 ALA 1.422 0.146 10 0 "[ . 1 . ]"
1 19 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 20 GLN 0.071 0.019 14 0 "[ . 1 . ]"
1 21 SER 0.710 0.107 1 0 "[ . 1 . ]"
1 22 PHE 1.523 0.136 15 0 "[ . 1 . ]"
1 23 LEU 3.076 0.276 13 0 "[ . 1 . ]"
1 24 ALA 0.286 0.126 11 0 "[ . 1 . ]"
1 25 THR 0.002 0.002 17 0 "[ . 1 . ]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 27 VAL 0.061 0.043 15 0 "[ . 1 . ]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 29 GLY 0.019 0.017 2 0 "[ . 1 . ]"
1 30 VAL 0.566 0.108 13 0 "[ . 1 . ]"
1 31 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 32 TRP 0.339 0.037 1 0 "[ . 1 . ]"
1 33 THR 0.331 0.136 11 0 "[ . 1 . ]"
1 34 VAL 0.410 0.148 13 0 "[ . 1 . ]"
1 35 TYR 3.731 0.290 1 0 "[ . 1 . ]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ALA 0.380 0.062 13 0 "[ . 1 . ]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 41 LYS 0.264 0.111 11 0 "[ . 1 . ]"
1 42 THR 0.369 0.111 11 0 "[ . 1 . ]"
1 43 LEU 2.126 0.248 11 0 "[ . 1 . ]"
1 44 ALA 0.097 0.050 14 0 "[ . 1 . ]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 46 PRO 2.792 0.197 11 0 "[ . 1 . ]"
1 47 LYS 0.373 0.141 14 0 "[ . 1 . ]"
1 48 GLY 0.128 0.068 10 0 "[ . 1 . ]"
1 49 PRO 0.373 0.094 10 0 "[ . 1 . ]"
1 50 ILE 0.185 0.063 1 0 "[ . 1 . ]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 54 TYR 0.831 0.153 9 0 "[ . 1 . ]"
1 55 THR 0.104 0.051 1 0 "[ . 1 . ]"
1 56 ASN 0.891 0.107 1 0 "[ . 1 . ]"
1 57 VAL 0.952 0.100 6 0 "[ . 1 . ]"
1 58 ASP 1.001 0.155 13 0 "[ . 1 . ]"
1 59 GLN 0.294 0.107 1 0 "[ . 1 . ]"
1 60 ASP 0.593 0.155 13 0 "[ . 1 . ]"
1 61 LEU 0.480 0.094 16 0 "[ . 1 . ]"
1 62 VAL 2.424 0.290 1 0 "[ . 1 . ]"
1 63 GLY 0.283 0.153 9 0 "[ . 1 . ]"
1 64 TRP 0.224 0.030 15 0 "[ . 1 . ]"
1 65 GLN 0.955 0.190 16 0 "[ . 1 . ]"
1 66 ALA 0.132 0.121 2 0 "[ . 1 . ]"
1 68 PRO 1.052 0.079 13 0 "[ . 1 . ]"
1 69 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 70 ALA 0.123 0.121 2 0 "[ . 1 . ]"
1 71 ARG 0.127 0.066 16 0 "[ . 1 . ]"
1 72 SER 0.144 0.066 16 0 "[ . 1 . ]"
1 73 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 74 THR 0.014 0.014 2 0 "[ . 1 . ]"
1 75 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 80 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 81 SER 0.146 0.024 1 0 "[ . 1 . ]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 83 LEU 0.131 0.053 10 0 "[ . 1 . ]"
1 84 TYR 0.380 0.067 1 0 "[ . 1 . ]"
1 85 LEU 0.047 0.030 14 0 "[ . 1 . ]"
1 86 VAL 0.051 0.019 3 0 "[ . 1 . ]"
1 87 THR 0.105 0.044 17 0 "[ . 1 . ]"
1 88 ARG 0.274 0.050 1 0 "[ . 1 . ]"
1 89 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 90 ALA 0.009 0.006 3 0 "[ . 1 . ]"
1 91 ASP 0.087 0.044 17 0 "[ . 1 . ]"
1 92 VAL 0.012 0.007 7 0 "[ . 1 . ]"
1 93 ILE 0.014 0.012 7 0 "[ . 1 . ]"
1 94 PRO 0.402 0.067 1 0 "[ . 1 . ]"
1 95 VAL 0.077 0.029 13 0 "[ . 1 . ]"
1 96 ARG 0.203 0.053 10 0 "[ . 1 . ]"
1 97 ARG 0.245 0.042 1 0 "[ . 1 . ]"
1 98 ARG 0.440 0.172 15 0 "[ . 1 . ]"
1 99 GLY 0.150 0.042 1 0 "[ . 1 . ]"
1 100 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 101 SER 0.048 0.033 14 0 "[ . 1 . ]"
1 102 ARG 0.772 0.140 11 0 "[ . 1 . ]"
1 103 GLY 0.049 0.043 1 0 "[ . 1 . ]"
1 104 SER 0.604 0.217 15 0 "[ . 1 . ]"
1 105 LEU 0.263 0.066 15 0 "[ . 1 . ]"
1 106 LEU 0.486 0.328 11 0 "[ . 1 . ]"
1 107 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 108 PRO 1.734 0.117 1 0 "[ . 1 . ]"
1 109 ARG 0.425 0.111 13 0 "[ . 1 . ]"
1 110 PRO 0.117 0.114 13 0 "[ . 1 . ]"
1 111 VAL 2.632 0.126 1 0 "[ . 1 . ]"
1 112 SER 0.147 0.098 11 0 "[ . 1 . ]"
1 113 TYR 3.963 0.310 13 0 "[ . 1 . ]"
1 114 LEU 2.672 0.176 13 0 "[ . 1 . ]"
1 115 LYS 1.571 0.155 13 0 "[ . 1 . ]"
1 116 GLY 0.481 0.136 15 0 "[ . 1 . ]"
1 117 SER 0.286 0.089 14 0 "[ . 1 . ]"
1 118 SER 0.738 0.115 14 0 "[ . 1 . ]"
1 119 GLY 1.121 0.148 13 0 "[ . 1 . ]"
1 120 GLY 0.343 0.088 1 0 "[ . 1 . ]"
1 121 PRO 0.106 0.041 9 0 "[ . 1 . ]"
1 122 LEU 0.314 0.054 14 0 "[ . 1 . ]"
1 123 LEU 0.035 0.013 18 0 "[ . 1 . ]"
1 124 CYS 0.007 0.007 8 0 "[ . 1 . ]"
1 126 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 127 GLY 0.176 0.056 13 0 "[ . 1 . ]"
1 128 HIS 0.203 0.056 13 0 "[ . 1 . ]"
1 129 ALA 0.054 0.043 15 0 "[ . 1 . ]"
1 130 VAL 0.035 0.021 16 0 "[ . 1 . ]"
1 131 GLY 0.011 0.005 2 0 "[ . 1 . ]"
1 132 ILE 0.967 0.111 11 0 "[ . 1 . ]"
1 133 PHE 1.615 0.115 14 0 "[ . 1 . ]"
1 134 ARG 0.088 0.045 1 0 "[ . 1 . ]"
1 135 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 136 ALA 0.045 0.017 4 0 "[ . 1 . ]"
1 137 VAL 1.065 0.126 13 0 "[ . 1 . ]"
1 138 CYS 0.206 0.053 11 0 "[ . 1 . ]"
1 139 THR 0.003 0.003 17 0 "[ . 1 . ]"
1 140 ARG 0.861 0.096 14 0 "[ . 1 . ]"
1 141 GLY 1.031 0.126 1 0 "[ . 1 . ]"
1 142 VAL 0.054 0.033 3 0 "[ . 1 . ]"
1 143 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 144 LYS 0.565 0.126 13 0 "[ . 1 . ]"
1 145 ALA 0.793 0.217 15 0 "[ . 1 . ]"
1 146 VAL 0.409 0.084 14 0 "[ . 1 . ]"
1 147 ASP 0.578 0.057 9 0 "[ . 1 . ]"
1 148 PHE 0.410 0.054 14 0 "[ . 1 . ]"
1 149 VAL 0.369 0.094 16 0 "[ . 1 . ]"
1 150 PRO 0.010 0.008 3 0 "[ . 1 . ]"
1 151 VAL 0.590 0.222 11 0 "[ . 1 . ]"
1 152 GLU 2.904 0.222 11 0 "[ . 1 . ]"
1 153 SER 0.875 0.145 16 0 "[ . 1 . ]"
1 154 MET 0.156 0.037 1 0 "[ . 1 . ]"
1 155 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 156 THR 0.001 0.001 7 0 "[ . 1 . ]"
1 157 THR 0.315 0.089 14 0 "[ . 1 . ]"
1 158 MET 0.375 0.089 14 0 "[ . 1 . ]"
1 159 ARG 0.001 0.001 7 0 "[ . 1 . ]"
1 160 ALA 0.000 0.000 . 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 ALA MB 1 64 TRP HE3 6.000 . 6.300 4.244 3.562 4.904 . 0 0 "[ . 1 . ]" 1
2 1 17 THR MG 1 22 PHE HD1 5.228 . 5.528 4.573 3.719 5.118 . 0 0 "[ . 1 . ]" 1
3 1 17 THR MG 1 22 PHE HZ . . 4.300 3.869 2.798 4.368 0.068 11 0 "[ . 1 . ]" 1
4 1 20 GLN HB2 1 22 PHE HD1 4.791 . 5.091 3.985 3.507 4.440 . 0 0 "[ . 1 . ]" 1
5 1 20 GLN HB2 1 22 PHE HE1 4.841 . 5.141 4.383 3.290 4.936 . 0 0 "[ . 1 . ]" 1
6 1 21 SER HA 1 22 PHE HD1 4.283 . 4.583 3.336 3.207 3.690 . 0 0 "[ . 1 . ]" 1
7 1 27 VAL MG2 1 32 TRP HD1 4.296 . 4.596 3.062 1.895 4.385 . 0 0 "[ . 1 . ]" 1
8 1 22 PHE HE2 1 43 LEU MD2 5.719 . 6.019 4.044 1.854 5.871 . 0 0 "[ . 1 . ]" 1
9 1 22 PHE HZ 1 43 LEU MD2 5.569 . 5.869 2.716 1.879 3.992 . 0 0 "[ . 1 . ]" 1
10 1 30 VAL MG1 1 54 TYR HD2 4.720 . 5.020 3.452 2.732 5.035 0.015 8 0 "[ . 1 . ]" 1
11 1 30 VAL HA 1 54 TYR HE2 4.814 . 5.114 5.145 5.114 5.222 0.108 13 0 "[ . 1 . ]" 1
12 1 30 VAL MG1 1 54 TYR HE2 4.125 . 4.425 2.644 2.009 4.174 . 0 0 "[ . 1 . ]" 1
13 1 32 TRP HD1 1 63 GLY HA3 6.000 . 6.300 5.664 4.973 6.326 0.026 6 0 "[ . 1 . ]" 1
14 1 32 TRP HZ3 1 63 GLY HA3 5.243 . 5.543 4.510 3.447 5.550 0.007 9 0 "[ . 1 . ]" 1
15 1 31 CYS HB3 1 64 TRP HE3 4.945 . 5.245 3.178 1.974 4.974 . 0 0 "[ . 1 . ]" 1
16 1 43 LEU MD1 1 64 TRP HZ2 5.669 . 5.969 3.554 2.413 5.190 . 0 0 "[ . 1 . ]" 1
17 1 62 VAL MG2 1 64 TRP HZ2 5.071 . 5.371 4.230 3.480 5.083 . 0 0 "[ . 1 . ]" 1
18 1 63 GLY HA2 1 64 TRP HE3 4.095 . 4.395 3.909 2.604 4.415 0.020 16 0 "[ . 1 . ]" 1
19 1 64 TRP HA 1 64 TRP HD1 4.331 . 4.631 2.666 2.263 3.534 . 0 0 "[ . 1 . ]" 1
20 1 64 TRP HB3 1 64 TRP HD1 3.866 . 4.166 2.841 2.599 3.001 . 0 0 "[ . 1 . ]" 1
21 1 83 LEU HA 1 84 TYR HD2 3.548 . 3.848 3.283 2.937 3.793 . 0 0 "[ . 1 . ]" 1
22 1 84 TYR HB2 1 84 TYR HD1 3.469 . 3.769 3.691 3.655 3.746 . 0 0 "[ . 1 . ]" 1
23 1 84 TYR HB2 1 84 TYR HE1 5.400 . 5.700 5.463 5.439 5.500 . 0 0 "[ . 1 . ]" 1
24 1 84 TYR HD1 1 92 VAL MG2 4.347 . 4.647 3.331 1.944 4.654 0.007 7 0 "[ . 1 . ]" 1
25 1 84 TYR HD1 1 94 PRO HA 4.410 . 4.710 3.703 3.227 4.482 . 0 0 "[ . 1 . ]" 1
26 1 109 ARG HB2 1 113 TYR HD2 4.003 . 4.303 3.501 2.947 4.414 0.111 13 0 "[ . 1 . ]" 1
27 1 110 PRO HG2 1 113 TYR HD2 5.206 . 5.506 5.339 4.950 5.620 0.114 13 0 "[ . 1 . ]" 1
28 1 113 TYR HA 1 113 TYR HD1 3.966 . 4.266 2.914 2.586 4.576 0.310 13 0 "[ . 1 . ]" 1
29 1 113 TYR HB2 1 113 TYR HD2 3.260 . 3.560 3.561 2.519 3.700 0.140 15 0 "[ . 1 . ]" 1
30 1 113 TYR HE2 1 114 LEU MD1 4.511 . 4.811 4.106 3.340 4.537 . 0 0 "[ . 1 . ]" 1
31 1 127 GLY HA3 1 128 HIS HD2 3.919 . 4.219 3.938 3.332 4.275 0.056 13 0 "[ . 1 . ]" 1
32 1 128 HIS HA 1 128 HIS HD2 3.655 . 3.955 2.914 2.109 3.985 0.030 11 0 "[ . 1 . ]" 1
33 1 85 LEU MD1 1 133 PHE HD2 5.010 . 5.310 4.506 4.002 5.153 . 0 0 "[ . 1 . ]" 1
34 1 118 SER HA 1 133 PHE HD2 3.850 . 4.150 2.373 2.134 2.595 . 0 0 "[ . 1 . ]" 1
35 1 133 PHE HA 1 133 PHE HD1 3.673 . 3.973 2.032 1.979 2.122 . 0 0 "[ . 1 . ]" 1
36 1 133 PHE HD1 1 146 VAL HB 4.051 . 4.351 3.306 2.993 3.533 . 0 0 "[ . 1 . ]" 1
37 1 133 PHE HD1 1 146 VAL MG1 4.386 . 4.686 4.388 4.064 4.683 . 0 0 "[ . 1 . ]" 1
38 1 133 PHE HE1 1 147 ASP HB2 5.450 . 5.750 5.708 5.171 5.807 0.057 9 0 "[ . 1 . ]" 1
39 1 32 TRP HH2 1 154 MET HB3 3.649 . 3.949 3.823 3.134 3.986 0.037 1 0 "[ . 1 . ]" 1
40 1 32 TRP HZ2 1 154 MET HB3 4.872 . 5.172 3.135 2.570 3.707 . 0 0 "[ . 1 . ]" 1
41 1 32 TRP HD1 1 154 MET HG2 6.033 . 6.333 5.901 4.449 6.356 0.023 1 0 "[ . 1 . ]" 1
42 1 32 TRP HZ2 1 157 THR MG 6.000 . 6.300 4.843 4.239 5.563 . 0 0 "[ . 1 . ]" 1
43 1 32 TRP HZ2 1 157 THR HB 5.560 . 5.860 4.560 3.656 5.275 . 0 0 "[ . 1 . ]" 1
44 1 32 TRP HZ2 1 158 MET QG 5.610 . 5.910 3.377 1.998 4.846 . 0 0 "[ . 1 . ]" 1
45 1 54 TYR HE2 1 158 MET QG 4.230 . 4.530 4.063 3.200 4.561 0.031 11 0 "[ . 1 . ]" 1
46 1 32 TRP HZ2 1 158 MET QB 5.000 . 5.300 3.799 2.539 5.092 . 0 0 "[ . 1 . ]" 1
47 1 1 THR HA 1 2 GLY H 5.372 . 5.672 2.823 2.209 3.590 . 0 0 "[ . 1 . ]" 1
48 1 4 ASP HA 1 5 LYS H 4.758 . 5.058 2.668 2.208 3.569 . 0 0 "[ . 1 . ]" 1
49 1 5 LYS HA 1 6 ASN H 4.292 . 4.592 2.767 2.209 3.579 . 0 0 "[ . 1 . ]" 1
50 1 7 GLN HA 1 8 VAL H 3.133 . 3.433 2.719 2.202 3.560 0.127 13 0 "[ . 1 . ]" 1
51 1 7 GLN HG2 1 8 VAL H 4.721 . 5.021 4.245 2.163 5.131 0.110 1 0 "[ . 1 . ]" 1
52 1 8 VAL H 1 8 VAL HB 3.389 . 3.689 2.981 2.387 3.734 0.045 10 0 "[ . 1 . ]" 1
53 1 8 VAL H 1 8 VAL MG1 3.951 . 4.251 3.189 1.930 4.020 . 0 0 "[ . 1 . ]" 1
54 1 8 VAL HA 1 9 GLU H 4.049 . 4.349 2.653 2.204 3.588 . 0 0 "[ . 1 . ]" 1
55 1 8 VAL H 1 9 GLU H 4.762 . 5.062 3.814 2.072 4.669 . 0 0 "[ . 1 . ]" 1
56 1 9 GLU H 1 9 GLU HB3 3.732 . 4.032 3.177 2.423 4.045 0.013 17 0 "[ . 1 . ]" 1
57 1 9 GLU H 1 9 GLU HB2 3.959 . 4.259 2.802 2.119 3.873 . 0 0 "[ . 1 . ]" 1
58 1 9 GLU HA 1 10 GLY H 3.248 . 3.548 2.472 2.188 3.563 0.015 13 0 "[ . 1 . ]" 1
59 1 9 GLU HB3 1 10 GLY H 4.223 . 4.523 3.436 2.006 4.539 0.016 2 0 "[ . 1 . ]" 1
60 1 9 GLU HB2 1 10 GLY H 4.391 . 4.691 3.743 2.547 4.426 . 0 0 "[ . 1 . ]" 1
61 1 9 GLU HG3 1 10 GLY H 4.686 . 4.986 4.063 2.721 4.990 0.004 18 0 "[ . 1 . ]" 1
62 1 9 GLU H 1 10 GLY H 4.528 . 4.828 4.301 2.350 4.687 . 0 0 "[ . 1 . ]" 1
63 1 12 VAL HA 1 13 GLN H 3.684 . 3.984 2.250 2.202 2.390 . 0 0 "[ . 1 . ]" 1
64 1 12 VAL MG1 1 13 GLN H 4.399 . 4.699 3.199 2.192 4.001 . 0 0 "[ . 1 . ]" 1
65 1 16 SER HA 1 17 THR H 3.230 . 3.530 2.263 2.190 2.345 . 0 0 "[ . 1 . ]" 1
66 1 16 SER HB3 1 17 THR H 3.801 . 4.101 3.283 2.834 4.114 0.013 6 0 "[ . 1 . ]" 1
67 1 16 SER H 1 17 THR H 4.575 . 4.875 4.454 4.384 4.544 . 0 0 "[ . 1 . ]" 1
68 1 19 THR HA 1 20 GLN H 4.238 . 4.538 3.475 3.250 3.538 . 0 0 "[ . 1 . ]" 1
69 1 20 GLN HA 1 21 SER H 3.061 . 3.361 2.462 2.336 2.605 . 0 0 "[ . 1 . ]" 1
70 1 20 GLN HB3 1 21 SER H 3.831 . 4.131 2.690 2.219 3.982 . 0 0 "[ . 1 . ]" 1
71 1 20 GLN HB2 1 21 SER H 3.831 . 4.131 3.646 2.444 3.992 . 0 0 "[ . 1 . ]" 1
72 1 20 GLN H 1 21 SER H 4.583 . 4.883 4.484 4.434 4.548 . 0 0 "[ . 1 . ]" 1
73 1 21 SER H 1 21 SER QB 3.578 . 3.878 2.725 2.461 3.137 . 0 0 "[ . 1 . ]" 1
74 1 21 SER HA 1 22 PHE H 3.422 . 3.722 2.197 2.186 2.213 . 0 0 "[ . 1 . ]" 1
75 1 12 VAL MG1 1 24 ALA H 4.848 . 5.148 4.140 2.668 5.176 0.028 15 0 "[ . 1 . ]" 1
76 1 23 LEU HA 1 24 ALA H 3.720 . 4.020 2.399 2.280 2.596 . 0 0 "[ . 1 . ]" 1
77 1 23 LEU QB 1 24 ALA H 4.280 . 4.580 2.666 2.323 2.935 . 0 0 "[ . 1 . ]" 1
78 1 23 LEU HG 1 24 ALA H 5.096 . 5.396 4.842 3.582 5.144 . 0 0 "[ . 1 . ]" 1
79 1 24 ALA HA 1 25 THR H 3.389 . 3.689 2.314 2.210 2.411 . 0 0 "[ . 1 . ]" 1
80 1 24 ALA MB 1 25 THR H 4.673 . 4.973 2.881 2.610 3.372 . 0 0 "[ . 1 . ]" 1
81 1 25 THR HA 1 26 CYS H 3.426 . 3.726 2.257 2.214 2.284 . 0 0 "[ . 1 . ]" 1
82 1 27 VAL MG1 1 28 ASN H 4.330 . 4.630 2.882 2.328 4.015 . 0 0 "[ . 1 . ]" 1
83 1 28 ASN HA 1 29 GLY H 3.531 . 3.831 2.912 2.877 2.977 . 0 0 "[ . 1 . ]" 1
84 1 28 ASN HA 1 30 VAL H 5.521 . 5.821 4.394 4.323 4.497 . 0 0 "[ . 1 . ]" 1
85 1 29 GLY H 1 30 VAL HA 6.000 . 6.300 5.308 5.180 5.375 . 0 0 "[ . 1 . ]" 1
86 1 29 GLY H 1 30 VAL HB 5.424 . 5.724 5.095 4.897 5.637 . 0 0 "[ . 1 . ]" 1
87 1 29 GLY HA2 1 30 VAL H 3.839 . 4.139 3.219 3.043 3.510 . 0 0 "[ . 1 . ]" 1
88 1 29 GLY H 1 30 VAL H 3.875 . 4.175 2.712 2.576 2.919 . 0 0 "[ . 1 . ]" 1
89 1 30 VAL H 1 30 VAL HB 3.223 . 3.523 2.621 2.412 3.203 . 0 0 "[ . 1 . ]" 1
90 1 30 VAL H 1 30 VAL MG2 3.802 . 4.102 2.828 2.407 3.883 . 0 0 "[ . 1 . ]" 1
91 1 30 VAL HA 1 31 CYS H 3.038 . 3.338 2.218 2.208 2.239 . 0 0 "[ . 1 . ]" 1
92 1 30 VAL MG1 1 31 CYS H 4.210 . 4.510 2.999 2.595 3.941 . 0 0 "[ . 1 . ]" 1
93 1 30 VAL MG2 1 31 CYS H 4.470 . 4.770 3.957 2.363 4.222 . 0 0 "[ . 1 . ]" 1
94 1 30 VAL H 1 31 CYS H 4.966 . 5.266 4.307 4.054 4.485 . 0 0 "[ . 1 . ]" 1
95 1 24 ALA MB 1 32 TRP H 5.382 . 5.682 4.276 3.512 4.850 . 0 0 "[ . 1 . ]" 1
96 1 26 CYS HA 1 32 TRP H 4.186 . 4.486 3.711 3.150 4.165 . 0 0 "[ . 1 . ]" 1
97 1 32 TRP HA 1 33 THR H 3.292 . 3.592 2.215 2.198 2.239 . 0 0 "[ . 1 . ]" 1
98 1 33 THR HA 1 34 VAL H 4.456 . 4.756 2.589 2.538 2.633 . 0 0 "[ . 1 . ]" 1
99 1 34 VAL HB 1 37 GLY H 5.603 . 5.903 3.514 3.132 4.659 . 0 0 "[ . 1 . ]" 1
100 1 34 VAL QG 1 37 GLY H 2.800 . 2.800 2.260 1.866 2.504 . 0 0 "[ . 1 . ]" 1
101 1 34 VAL QG 1 38 ALA H 5.803 . 6.103 3.766 2.642 4.426 . 0 0 "[ . 1 . ]" 1
102 1 37 GLY H 1 38 ALA MB 6.000 . 6.300 4.174 3.764 4.481 . 0 0 "[ . 1 . ]" 1
103 1 37 GLY HA3 1 38 ALA H 4.432 . 4.732 2.620 2.315 3.075 . 0 0 "[ . 1 . ]" 1
104 1 37 GLY HA2 1 38 ALA H 4.410 . 4.710 3.573 3.504 3.595 . 0 0 "[ . 1 . ]" 1
105 1 37 GLY H 1 38 ALA H 4.198 . 4.498 2.578 1.986 3.078 . 0 0 "[ . 1 . ]" 1
106 1 38 ALA H 1 39 GLY H 4.567 . 4.867 2.601 2.025 3.011 . 0 0 "[ . 1 . ]" 1
107 1 41 LYS HA 1 42 THR H 3.323 . 3.623 2.346 2.227 2.570 . 0 0 "[ . 1 . ]" 1
108 1 41 LYS HG2 1 42 THR H 3.940 . 4.240 3.395 2.245 4.351 0.111 11 0 "[ . 1 . ]" 1
109 1 42 THR H 1 42 THR HB 3.819 . 4.119 2.882 2.272 3.675 . 0 0 "[ . 1 . ]" 1
110 1 38 ALA H 1 43 LEU MD1 6.000 . 6.300 5.990 4.632 6.349 0.049 1 0 "[ . 1 . ]" 1
111 1 43 LEU H 1 43 LEU HG 4.255 . 4.555 3.194 1.970 4.459 . 0 0 "[ . 1 . ]" 1
112 1 43 LEU HA 1 44 ALA H 3.177 . 3.477 2.252 2.216 2.308 . 0 0 "[ . 1 . ]" 1
113 1 43 LEU MD1 1 44 ALA H 4.596 . 4.896 3.896 2.183 4.946 0.050 14 0 "[ . 1 . ]" 1
114 1 44 ALA HA 1 45 GLY H 4.292 . 4.592 2.239 2.203 2.441 . 0 0 "[ . 1 . ]" 1
115 1 44 ALA MB 1 45 GLY H 4.079 . 4.379 3.218 2.709 3.490 . 0 0 "[ . 1 . ]" 1
116 1 46 PRO HA 1 47 LYS H 4.684 . 4.984 3.528 3.399 3.589 . 0 0 "[ . 1 . ]" 1
117 1 46 PRO QD 1 47 LYS H 4.318 . 4.618 2.680 2.516 2.911 . 0 0 "[ . 1 . ]" 1
118 1 46 PRO QG 1 47 LYS H 3.760 . 4.060 2.331 1.960 3.104 . 0 0 "[ . 1 . ]" 1
119 1 47 LYS H 1 47 LYS HB2 3.494 . 3.794 2.314 2.009 2.743 . 0 0 "[ . 1 . ]" 1
120 1 47 LYS H 1 47 LYS HG3 4.366 . 4.666 3.494 2.209 4.514 . 0 0 "[ . 1 . ]" 1
121 1 47 LYS H 1 47 LYS HG2 4.621 . 4.921 3.920 2.301 4.802 . 0 0 "[ . 1 . ]" 1
122 1 47 LYS HB3 1 48 GLY H 5.303 . 5.603 3.426 2.728 4.503 . 0 0 "[ . 1 . ]" 1
123 1 47 LYS HB2 1 48 GLY H 4.136 . 4.436 3.431 2.748 4.416 . 0 0 "[ . 1 . ]" 1
124 1 47 LYS HG2 1 48 GLY H 5.380 . 5.680 4.950 4.284 5.748 0.068 10 0 "[ . 1 . ]" 1
125 1 47 LYS H 1 48 GLY H 3.553 . 3.853 2.557 2.355 2.712 . 0 0 "[ . 1 . ]" 1
126 1 42 THR MG 1 50 ILE H 4.528 . 4.828 3.965 2.188 4.880 0.052 15 0 "[ . 1 . ]" 1
127 1 49 PRO HA 1 50 ILE H 3.327 . 3.627 2.378 2.213 2.532 . 0 0 "[ . 1 . ]" 1
128 1 49 PRO HG3 1 50 ILE H 5.746 . 6.046 5.306 5.006 5.710 . 0 0 "[ . 1 . ]" 1
129 1 57 VAL HB 1 58 ASP H 2.825 . 3.125 2.674 2.574 2.885 . 0 0 "[ . 1 . ]" 1
130 1 58 ASP H 1 58 ASP HB3 4.175 . 4.475 2.902 2.456 3.529 . 0 0 "[ . 1 . ]" 1
131 1 58 ASP HB3 1 60 ASP H 4.695 . 4.995 4.777 4.451 5.150 0.155 13 0 "[ . 1 . ]" 1
132 1 38 ALA H 1 62 VAL MG1 6.000 . 6.300 5.724 3.989 6.312 0.012 6 0 "[ . 1 . ]" 1
133 1 54 TYR HB2 1 63 GLY H 4.000 . 4.300 2.359 1.944 4.453 0.153 9 0 "[ . 1 . ]" 1
134 1 54 TYR H 1 63 GLY H 4.268 . 4.568 2.953 2.358 3.339 . 0 0 "[ . 1 . ]" 1
135 1 43 LEU MD1 1 64 TRP HE1 5.786 . 6.086 5.213 3.391 6.114 0.028 10 0 "[ . 1 . ]" 1
136 1 43 LEU HG 1 64 TRP HE1 5.376 . 5.676 5.179 3.799 5.706 0.030 15 0 "[ . 1 . ]" 1
137 1 63 GLY HA3 1 64 TRP H 3.373 . 3.673 2.804 2.518 3.083 . 0 0 "[ . 1 . ]" 1
138 1 63 GLY HA2 1 64 TRP H 3.493 . 3.793 2.380 2.202 2.655 . 0 0 "[ . 1 . ]" 1
139 1 30 VAL H 1 66 ALA MB 6.000 . 6.300 4.208 3.552 5.515 . 0 0 "[ . 1 . ]" 1
140 1 31 CYS H 1 66 ALA MB 5.186 . 5.486 3.072 2.226 3.821 . 0 0 "[ . 1 . ]" 1
141 1 65 GLN HB3 1 66 ALA H 4.000 . 4.300 3.872 3.030 4.295 . 0 0 "[ . 1 . ]" 1
142 1 65 GLN HG3 1 66 ALA H 5.129 . 5.429 4.546 3.223 5.434 0.005 7 0 "[ . 1 . ]" 1
143 1 68 PRO HA 1 70 ALA H 3.546 . 3.846 3.464 3.232 3.701 . 0 0 "[ . 1 . ]" 1
144 1 69 GLY QA 1 70 ALA H 3.705 . 4.005 2.848 2.813 2.964 . 0 0 "[ . 1 . ]" 1
145 1 70 ALA H 1 70 ALA MB 3.037 . 3.337 2.315 2.018 2.624 . 0 0 "[ . 1 . ]" 1
146 1 70 ALA H 1 71 ARG H 4.720 . 5.020 4.459 3.223 4.692 . 0 0 "[ . 1 . ]" 1
147 1 71 ARG H 1 71 ARG QB 3.240 . 3.540 2.347 1.972 2.971 . 0 0 "[ . 1 . ]" 1
148 1 29 GLY H 1 72 SER HB3 3.809 . 4.109 2.866 2.058 4.126 0.017 2 0 "[ . 1 . ]" 1
149 1 71 ARG HA 1 72 SER H 2.976 . 3.276 2.299 2.218 2.415 . 0 0 "[ . 1 . ]" 1
150 1 71 ARG HB3 1 72 SER H 3.761 . 4.061 3.608 2.616 4.127 0.066 16 0 "[ . 1 . ]" 1
151 1 71 ARG H 1 72 SER H 4.394 . 4.694 4.568 3.584 4.695 0.001 5 0 "[ . 1 . ]" 1
152 1 74 THR H 1 74 THR HB 4.100 . 4.400 3.188 2.384 3.791 . 0 0 "[ . 1 . ]" 1
153 1 80 SER HA 1 81 SER H 5.829 . 6.129 2.232 2.199 2.387 . 0 0 "[ . 1 . ]" 1
154 1 82 ASP H 1 82 ASP HB2 4.111 . 4.411 2.309 1.970 2.492 . 0 0 "[ . 1 . ]" 1
155 1 83 LEU HA 1 84 TYR H 3.648 . 3.948 2.337 2.240 2.462 . 0 0 "[ . 1 . ]" 1
156 1 83 LEU HB3 1 84 TYR H 3.993 . 4.293 2.868 2.496 3.285 . 0 0 "[ . 1 . ]" 1
157 1 84 TYR HA 1 85 LEU H 4.460 . 4.760 2.229 2.211 2.265 . 0 0 "[ . 1 . ]" 1
158 1 85 LEU HA 1 86 VAL H 4.407 . 4.707 2.246 2.199 2.322 . 0 0 "[ . 1 . ]" 1
159 1 85 LEU MD1 1 86 VAL H 5.462 . 5.762 3.430 2.208 4.928 . 0 0 "[ . 1 . ]" 1
160 1 86 VAL HA 1 87 THR H 3.397 . 3.697 2.226 2.205 2.306 . 0 0 "[ . 1 . ]" 1
161 1 86 VAL HB 1 87 THR H 5.077 . 5.377 4.223 3.162 4.427 . 0 0 "[ . 1 . ]" 1
162 1 86 VAL MG1 1 87 THR H 4.067 . 4.367 2.913 2.318 3.995 . 0 0 "[ . 1 . ]" 1
163 1 87 THR H 1 87 THR MG 4.128 . 4.428 2.992 2.168 3.817 . 0 0 "[ . 1 . ]" 1
164 1 23 LEU MD1 1 88 ARG H 4.887 . 5.187 3.375 3.088 3.998 . 0 0 "[ . 1 . ]" 1
165 1 88 ARG H 1 88 ARG QD 5.556 . 5.856 3.982 3.020 4.557 . 0 0 "[ . 1 . ]" 1
166 1 89 HIS HA 1 90 ALA H 3.951 . 4.251 3.062 2.964 3.146 . 0 0 "[ . 1 . ]" 1
167 1 89 HIS HB3 1 90 ALA H 5.077 . 5.377 4.184 3.938 4.610 . 0 0 "[ . 1 . ]" 1
168 1 89 HIS HB2 1 90 ALA H 4.879 . 5.179 4.232 3.868 4.568 . 0 0 "[ . 1 . ]" 1
169 1 89 HIS H 1 90 ALA H 3.920 . 4.220 2.820 2.715 2.891 . 0 0 "[ . 1 . ]" 1
170 1 86 VAL MG1 1 91 ASP H 6.000 . 6.300 4.222 3.749 5.060 . 0 0 "[ . 1 . ]" 1
171 1 87 THR MG 1 91 ASP H 6.000 . 6.300 3.791 3.534 4.487 . 0 0 "[ . 1 . ]" 1
172 1 90 ALA MB 1 91 ASP H 6.000 . 6.300 3.653 3.545 3.743 . 0 0 "[ . 1 . ]" 1
173 1 83 LEU HB2 1 95 VAL H 3.920 . 4.220 3.469 3.073 3.870 . 0 0 "[ . 1 . ]" 1
174 1 83 LEU H 1 95 VAL H 4.000 . 4.300 2.607 2.300 3.043 . 0 0 "[ . 1 . ]" 1
175 1 85 LEU H 1 95 VAL MG2 4.000 . 4.300 3.166 2.656 3.731 . 0 0 "[ . 1 . ]" 1
176 1 94 PRO HA 1 95 VAL H 2.800 . 3.100 2.266 2.212 2.419 . 0 0 "[ . 1 . ]" 1
177 1 94 PRO HB3 1 95 VAL H 4.179 . 4.479 3.890 3.572 4.192 . 0 0 "[ . 1 . ]" 1
178 1 94 PRO HB2 1 95 VAL H 5.500 . 5.800 3.288 2.753 3.753 . 0 0 "[ . 1 . ]" 1
179 1 95 VAL H 1 95 VAL HB 3.967 . 4.267 2.592 2.503 2.679 . 0 0 "[ . 1 . ]" 1
180 1 83 LEU H 1 96 ARG HA 3.857 . 4.157 3.993 3.584 4.210 0.053 10 0 "[ . 1 . ]" 1
181 1 95 VAL HA 1 96 ARG H 3.193 . 3.493 2.224 2.211 2.253 . 0 0 "[ . 1 . ]" 1
182 1 95 VAL MG1 1 96 ARG H 3.984 . 4.284 2.673 2.431 2.787 . 0 0 "[ . 1 . ]" 1
183 1 96 ARG H 1 96 ARG HD2 5.500 . 5.800 4.974 4.349 5.734 . 0 0 "[ . 1 . ]" 1
184 1 81 SER HA 1 97 ARG H 4.322 . 4.622 3.345 2.747 3.765 . 0 0 "[ . 1 . ]" 1
185 1 83 LEU MD1 1 97 ARG H 5.380 . 5.680 3.987 3.516 4.754 . 0 0 "[ . 1 . ]" 1
186 1 83 LEU H 1 97 ARG H 5.432 . 5.732 5.005 4.476 5.558 . 0 0 "[ . 1 . ]" 1
187 1 96 ARG HA 1 97 ARG H 3.336 . 3.636 2.255 2.214 2.353 . 0 0 "[ . 1 . ]" 1
188 1 96 ARG HD2 1 97 ARG H 4.557 . 4.857 3.371 2.736 4.094 . 0 0 "[ . 1 . ]" 1
189 1 97 ARG H 1 97 ARG HB2 3.618 . 3.918 2.472 2.264 2.736 . 0 0 "[ . 1 . ]" 1
190 1 97 ARG HA 1 98 ARG H 3.295 . 3.595 2.223 2.198 2.280 . 0 0 "[ . 1 . ]" 1
191 1 97 ARG QB 1 98 ARG H 5.500 . 5.800 3.769 3.606 3.907 . 0 0 "[ . 1 . ]" 1
192 1 97 ARG QD 1 98 ARG H 5.031 . 5.331 4.754 4.484 5.116 . 0 0 "[ . 1 . ]" 1
193 1 98 ARG H 1 98 ARG HB2 4.086 . 4.386 2.914 2.381 3.824 . 0 0 "[ . 1 . ]" 1
194 1 97 ARG HD3 1 99 GLY H 4.844 . 5.144 4.705 3.769 5.156 0.012 16 0 "[ . 1 . ]" 1
195 1 97 ARG HD2 1 99 GLY H 4.830 . 5.130 4.860 4.060 5.172 0.042 1 0 "[ . 1 . ]" 1
196 1 97 ARG HG2 1 99 GLY H 3.703 . 4.003 2.356 2.110 2.826 . 0 0 "[ . 1 . ]" 1
197 1 98 ARG HB2 1 99 GLY H 4.431 . 4.731 4.224 3.753 4.715 . 0 0 "[ . 1 . ]" 1
198 1 98 ARG H 1 99 GLY H 3.892 . 4.192 2.258 1.971 2.638 . 0 0 "[ . 1 . ]" 1
199 1 99 GLY HA2 1 101 SER H 4.947 . 5.247 4.681 4.519 4.942 . 0 0 "[ . 1 . ]" 1
200 1 99 GLY HA3 1 102 ARG H 5.551 . 5.851 3.181 2.955 3.545 . 0 0 "[ . 1 . ]" 1
201 1 99 GLY HA2 1 102 ARG H 4.945 . 5.245 4.529 4.371 4.706 . 0 0 "[ . 1 . ]" 1
202 1 99 GLY H 1 102 ARG H 5.464 . 5.764 3.964 3.179 4.648 . 0 0 "[ . 1 . ]" 1
203 1 100 ASP QB 1 102 ARG H 5.362 . 5.662 4.551 4.032 5.096 . 0 0 "[ . 1 . ]" 1
204 1 101 SER H 1 102 ARG HB3 5.104 . 5.404 4.322 3.671 5.202 . 0 0 "[ . 1 . ]" 1
205 1 101 SER H 1 102 ARG HB2 4.783 . 5.083 3.801 3.383 4.355 . 0 0 "[ . 1 . ]" 1
206 1 101 SER HA 1 102 ARG H 3.780 . 4.080 3.136 3.028 3.459 . 0 0 "[ . 1 . ]" 1
207 1 102 ARG H 1 102 ARG HB3 3.979 . 4.279 2.912 2.483 3.760 . 0 0 "[ . 1 . ]" 1
208 1 102 ARG H 1 102 ARG HB2 3.643 . 3.943 2.880 2.344 3.358 . 0 0 "[ . 1 . ]" 1
209 1 96 ARG H 1 103 GLY HA3 5.419 . 5.719 5.112 4.569 5.762 0.043 1 0 "[ . 1 . ]" 1
210 1 98 ARG H 1 103 GLY HA2 4.068 . 4.368 2.019 1.978 2.311 . 0 0 "[ . 1 . ]" 1
211 1 102 ARG HA 1 103 GLY H 3.734 . 4.034 2.280 2.220 2.391 . 0 0 "[ . 1 . ]" 1
212 1 102 ARG HB3 1 103 GLY H 4.783 . 5.083 3.753 2.726 4.234 . 0 0 "[ . 1 . ]" 1
213 1 95 VAL HA 1 104 SER H 5.015 . 5.315 5.026 4.532 5.344 0.029 13 0 "[ . 1 . ]" 1
214 1 95 VAL MG1 1 104 SER H 4.313 . 4.613 3.105 2.464 3.733 . 0 0 "[ . 1 . ]" 1
215 1 96 ARG H 1 104 SER H 4.188 . 4.488 3.544 2.983 4.045 . 0 0 "[ . 1 . ]" 1
216 1 98 ARG HB3 1 104 SER H 5.331 . 5.631 4.258 3.050 5.674 0.043 11 0 "[ . 1 . ]" 1
217 1 98 ARG HB2 1 104 SER H 4.663 . 4.963 3.623 2.718 4.969 0.006 2 0 "[ . 1 . ]" 1
218 1 98 ARG H 1 104 SER H 4.478 . 4.778 3.973 3.507 4.271 . 0 0 "[ . 1 . ]" 1
219 1 103 GLY H 1 104 SER HA 5.083 . 5.383 4.745 4.626 4.880 . 0 0 "[ . 1 . ]" 1
220 1 103 GLY HA3 1 104 SER H 3.450 . 3.750 2.670 2.494 2.900 . 0 0 "[ . 1 . ]" 1
221 1 103 GLY HA2 1 104 SER H 3.498 . 3.798 2.555 2.365 2.726 . 0 0 "[ . 1 . ]" 1
222 1 104 SER H 1 104 SER HB3 3.854 . 4.154 2.972 2.561 3.736 . 0 0 "[ . 1 . ]" 1
223 1 104 SER H 1 104 SER HB2 3.930 . 4.230 3.519 2.605 3.788 . 0 0 "[ . 1 . ]" 1
224 1 104 SER HA 1 105 LEU H 3.733 . 4.033 2.358 2.238 2.439 . 0 0 "[ . 1 . ]" 1
225 1 104 SER HB3 1 105 LEU H 4.105 . 4.405 3.890 2.819 4.159 . 0 0 "[ . 1 . ]" 1
226 1 104 SER HB2 1 105 LEU H 4.376 . 4.676 2.983 2.602 4.139 . 0 0 "[ . 1 . ]" 1
227 1 105 LEU H 1 105 LEU HB3 3.342 . 3.642 2.503 2.203 3.209 . 0 0 "[ . 1 . ]" 1
228 1 105 LEU H 1 105 LEU HB2 3.290 . 3.590 2.741 2.251 3.123 . 0 0 "[ . 1 . ]" 1
229 1 105 LEU H 1 105 LEU MD1 4.248 . 4.548 4.155 3.976 4.479 . 0 0 "[ . 1 . ]" 1
230 1 105 LEU HA 1 106 LEU H 3.641 . 3.941 2.219 2.205 2.279 . 0 0 "[ . 1 . ]" 1
231 1 105 LEU HG 1 106 LEU H 5.500 . 5.800 3.000 2.303 4.018 . 0 0 "[ . 1 . ]" 1
232 1 105 LEU MD1 1 106 LEU H 5.500 . 5.800 2.837 2.250 5.015 . 0 0 "[ . 1 . ]" 1
233 1 106 LEU H 1 106 LEU MD1 4.697 . 4.997 2.602 1.913 3.968 . 0 0 "[ . 1 . ]" 1
234 1 106 LEU H 1 106 LEU HG 4.045 . 4.345 3.724 2.763 4.361 0.016 1 0 "[ . 1 . ]" 1
235 1 106 LEU H 1 107 SER QB 5.500 . 5.800 4.774 4.430 5.252 . 0 0 "[ . 1 . ]" 1
236 1 106 LEU HA 1 107 SER H 4.891 . 5.191 3.577 3.561 3.593 . 0 0 "[ . 1 . ]" 1
237 1 106 LEU QB 1 107 SER H 4.044 . 4.344 2.400 2.104 2.615 . 0 0 "[ . 1 . ]" 1
238 1 106 LEU H 1 107 SER H 4.475 . 4.775 2.763 2.600 2.865 . 0 0 "[ . 1 . ]" 1
239 1 105 LEU MD2 1 109 ARG H 4.472 . 4.772 2.708 2.292 3.734 . 0 0 "[ . 1 . ]" 1
240 1 108 PRO HA 1 109 ARG H 3.615 . 3.915 2.226 2.191 2.251 . 0 0 "[ . 1 . ]" 1
241 1 108 PRO HB3 1 109 ARG H 4.243 . 4.543 4.233 3.978 4.340 . 0 0 "[ . 1 . ]" 1
242 1 108 PRO QG 1 109 ARG H 5.500 . 5.800 4.767 4.650 4.829 . 0 0 "[ . 1 . ]" 1
243 1 108 PRO HD2 1 109 ARG H 5.598 . 5.898 5.352 5.141 5.490 . 0 0 "[ . 1 . ]" 1
244 1 109 ARG H 1 109 ARG HB3 3.930 . 4.230 3.676 3.497 3.800 . 0 0 "[ . 1 . ]" 1
245 1 109 ARG H 1 109 ARG HB2 4.104 . 4.404 2.463 2.252 2.642 . 0 0 "[ . 1 . ]" 1
246 1 109 ARG HB3 1 113 TYR H 4.676 . 4.976 4.613 4.162 4.943 . 0 0 "[ . 1 . ]" 1
247 1 109 ARG HB2 1 113 TYR H 5.393 . 5.693 5.704 5.588 5.771 0.078 14 0 "[ . 1 . ]" 1
248 1 110 PRO HB3 1 113 TYR H 5.347 . 5.647 4.674 4.515 4.784 . 0 0 "[ . 1 . ]" 1
249 1 110 PRO HB2 1 113 TYR H 4.254 . 4.554 3.203 2.976 3.337 . 0 0 "[ . 1 . ]" 1
250 1 112 SER HB3 1 113 TYR H 2.800 . 3.100 2.586 2.320 3.198 0.098 11 0 "[ . 1 . ]" 1
251 1 113 TYR H 1 113 TYR HB3 3.813 . 4.113 2.410 1.951 2.477 . 0 0 "[ . 1 . ]" 1
252 1 113 TYR H 1 113 TYR HB2 3.888 . 4.188 2.504 2.436 3.195 . 0 0 "[ . 1 . ]" 1
253 1 113 TYR H 1 113 TYR HD2 4.639 . 4.939 4.665 4.547 5.046 0.107 13 0 "[ . 1 . ]" 1
254 1 112 SER HA 1 114 LEU H 5.764 . 6.064 4.490 4.356 4.644 . 0 0 "[ . 1 . ]" 1
255 1 113 TYR HA 1 114 LEU H 4.741 . 5.041 3.545 3.532 3.568 . 0 0 "[ . 1 . ]" 1
256 1 113 TYR HB3 1 114 LEU H 5.010 . 5.310 2.538 2.403 3.149 . 0 0 "[ . 1 . ]" 1
257 1 113 TYR HB2 1 114 LEU H 5.176 . 5.476 3.828 3.789 4.117 . 0 0 "[ . 1 . ]" 1
258 1 114 LEU H 1 114 LEU MD2 5.572 . 5.872 4.225 4.183 4.272 . 0 0 "[ . 1 . ]" 1
259 1 114 LEU H 1 114 LEU HG 4.146 . 4.446 4.420 4.362 4.508 0.062 13 0 "[ . 1 . ]" 1
260 1 113 TYR HA 1 115 LYS H 5.214 . 5.514 3.904 3.732 4.321 . 0 0 "[ . 1 . ]" 1
261 1 113 TYR HB2 1 115 LYS H 6.000 . 6.300 5.453 5.396 5.644 . 0 0 "[ . 1 . ]" 1
262 1 113 TYR H 1 115 LYS H 4.996 . 5.296 3.941 3.814 4.033 . 0 0 "[ . 1 . ]" 1
263 1 114 LEU H 1 115 LYS H 3.844 . 4.144 2.636 2.417 2.746 . 0 0 "[ . 1 . ]" 1
264 1 115 LYS H 1 115 LYS HB3 3.571 . 3.871 2.907 2.743 3.349 . 0 0 "[ . 1 . ]" 1
265 1 115 LYS H 1 115 LYS HB2 3.569 . 3.869 2.182 1.994 2.343 . 0 0 "[ . 1 . ]" 1
266 1 115 LYS H 1 115 LYS QE 5.507 . 5.807 5.476 4.319 5.846 0.039 1 0 "[ . 1 . ]" 1
267 1 115 LYS H 1 115 LYS QG 3.892 . 4.192 3.778 3.101 3.918 . 0 0 "[ . 1 . ]" 1
268 1 115 LYS HB3 1 116 GLY H 5.790 . 6.090 3.921 3.435 4.120 . 0 0 "[ . 1 . ]" 1
269 1 34 VAL QG 1 119 GLY H 5.303 . 5.603 2.652 1.997 3.696 . 0 0 "[ . 1 . ]" 1
270 1 23 LEU HB3 1 120 GLY H 5.156 . 5.456 4.853 3.577 5.419 . 0 0 "[ . 1 . ]" 1
271 1 23 LEU HG 1 120 GLY H 5.035 . 5.335 4.928 4.371 5.361 0.026 8 0 "[ . 1 . ]" 1
272 1 84 TYR H 1 122 LEU HB3 4.458 . 4.758 4.028 3.530 4.760 0.002 3 0 "[ . 1 . ]" 1
273 1 84 TYR H 1 123 LEU HB3 5.500 . 5.800 4.787 3.875 5.444 . 0 0 "[ . 1 . ]" 1
274 1 123 LEU HB3 1 127 GLY H 5.140 . 5.440 5.005 4.289 5.453 0.013 18 0 "[ . 1 . ]" 1
275 1 126 SER H 1 127 GLY H 4.017 . 4.317 2.575 2.426 2.705 . 0 0 "[ . 1 . ]" 1
276 1 74 THR H 1 128 HIS HB3 5.343 . 5.643 4.970 3.118 5.657 0.014 2 0 "[ . 1 . ]" 1
277 1 127 GLY H 1 128 HIS H 5.474 . 5.774 2.196 1.968 4.394 . 0 0 "[ . 1 . ]" 1
278 1 128 HIS HA 1 129 ALA H 3.403 . 3.703 2.367 2.233 2.734 . 0 0 "[ . 1 . ]" 1
279 1 128 HIS HB2 1 129 ALA H 4.039 . 4.339 3.945 3.179 4.236 . 0 0 "[ . 1 . ]" 1
280 1 128 HIS H 1 129 ALA H 5.500 . 5.800 4.465 4.360 4.660 . 0 0 "[ . 1 . ]" 1
281 1 122 LEU HA 1 130 VAL H 5.478 . 5.778 4.989 4.828 5.215 . 0 0 "[ . 1 . ]" 1
282 1 129 ALA HA 1 130 VAL H 3.672 . 3.972 2.266 2.202 2.335 . 0 0 "[ . 1 . ]" 1
283 1 129 ALA MB 1 130 VAL H 4.408 . 4.708 3.008 2.790 3.274 . 0 0 "[ . 1 . ]" 1
284 1 130 VAL H 1 130 VAL HB 3.526 . 3.826 3.002 2.374 3.711 . 0 0 "[ . 1 . ]" 1
285 1 130 VAL H 1 130 VAL MG2 4.028 . 4.328 2.524 1.924 3.827 . 0 0 "[ . 1 . ]" 1
286 1 122 LEU HB3 1 131 GLY H 4.011 . 4.311 3.908 3.543 4.209 . 0 0 "[ . 1 . ]" 1
287 1 122 LEU HB2 1 131 GLY H 3.688 . 3.988 2.540 2.215 2.987 . 0 0 "[ . 1 . ]" 1
288 1 129 ALA HA 1 131 GLY H 4.353 . 4.653 4.212 3.836 4.658 0.005 2 0 "[ . 1 . ]" 1
289 1 130 VAL HA 1 131 GLY H 5.500 . 5.800 3.559 3.509 3.600 . 0 0 "[ . 1 . ]" 1
290 1 130 VAL H 1 131 GLY H 3.661 . 3.961 2.221 1.970 2.517 . 0 0 "[ . 1 . ]" 1
291 1 33 THR H 1 132 ILE MD 6.000 . 6.300 4.514 4.083 5.024 . 0 0 "[ . 1 . ]" 1
292 1 34 VAL H 1 132 ILE MD 6.000 . 6.300 5.129 4.008 5.727 . 0 0 "[ . 1 . ]" 1
293 1 119 GLY H 1 132 ILE MG 5.190 . 5.490 2.837 2.352 4.185 . 0 0 "[ . 1 . ]" 1
294 1 85 LEU MD1 1 133 PHE H 4.629 . 4.929 3.762 2.873 4.787 . 0 0 "[ . 1 . ]" 1
295 1 119 GLY H 1 133 PHE HB3 4.476 . 4.776 2.701 2.089 3.022 . 0 0 "[ . 1 . ]" 1
296 1 122 LEU HG 1 133 PHE H 5.500 . 5.800 4.898 3.607 5.747 . 0 0 "[ . 1 . ]" 1
297 1 122 LEU MD2 1 133 PHE H 5.083 . 5.383 4.972 4.255 5.369 . 0 0 "[ . 1 . ]" 1
298 1 132 ILE HA 1 133 PHE H 3.736 . 4.036 2.328 2.250 2.418 . 0 0 "[ . 1 . ]" 1
299 1 132 ILE HB 1 133 PHE H 4.313 . 4.613 4.050 3.851 4.247 . 0 0 "[ . 1 . ]" 1
300 1 132 ILE MG 1 133 PHE H 4.000 . 4.300 2.443 1.948 3.634 . 0 0 "[ . 1 . ]" 1
301 1 133 PHE H 1 133 PHE HB3 3.613 . 3.913 2.606 2.529 2.674 . 0 0 "[ . 1 . ]" 1
302 1 133 PHE H 1 133 PHE HD1 4.445 . 4.745 4.377 4.305 4.482 . 0 0 "[ . 1 . ]" 1
303 1 134 ARG QB 1 135 ALA H 5.000 . 5.300 1.959 1.917 2.048 . 0 0 "[ . 1 . ]" 1
304 1 134 ARG H 1 135 ALA H 4.000 . 4.300 2.642 2.484 2.814 . 0 0 "[ . 1 . ]" 1
305 1 134 ARG H 1 135 ALA MB 5.500 . 5.800 4.587 4.484 4.684 . 0 0 "[ . 1 . ]" 1
306 1 136 ALA HA 1 137 VAL H 3.721 . 4.021 2.269 2.209 2.421 . 0 0 "[ . 1 . ]" 1
307 1 136 ALA MB 1 137 VAL H 5.986 . 6.286 3.093 2.724 3.304 . 0 0 "[ . 1 . ]" 1
308 1 137 VAL H 1 137 VAL HB 3.866 . 4.166 2.630 2.423 2.798 . 0 0 "[ . 1 . ]" 1
309 1 137 VAL H 1 137 VAL MG2 3.999 . 4.299 2.219 1.954 2.661 . 0 0 "[ . 1 . ]" 1
310 1 137 VAL HA 1 138 CYS H 3.110 . 3.410 2.223 2.211 2.238 . 0 0 "[ . 1 . ]" 1
311 1 138 CYS HA 1 139 THR H 3.365 . 3.665 2.285 2.235 2.384 . 0 0 "[ . 1 . ]" 1
312 1 138 CYS HB3 1 139 THR H 4.287 . 4.587 4.139 3.984 4.240 . 0 0 "[ . 1 . ]" 1
313 1 138 CYS HB2 1 139 THR H 4.058 . 4.358 3.056 2.750 3.256 . 0 0 "[ . 1 . ]" 1
314 1 139 THR H 1 139 THR HB 3.856 . 4.156 2.572 2.395 3.548 . 0 0 "[ . 1 . ]" 1
315 1 140 ARG HB2 1 141 GLY H 5.092 . 5.392 4.396 3.999 4.495 . 0 0 "[ . 1 . ]" 1
316 1 140 ARG HG2 1 141 GLY H 5.898 . 6.198 4.573 4.063 5.043 . 0 0 "[ . 1 . ]" 1
317 1 111 VAL H 1 142 VAL H 6.000 . 6.300 4.844 4.729 5.086 . 0 0 "[ . 1 . ]" 1
318 1 138 CYS HA 1 142 VAL H 4.821 . 5.121 4.323 4.248 4.440 . 0 0 "[ . 1 . ]" 1
319 1 138 CYS HB3 1 142 VAL H 4.713 . 5.013 4.073 3.996 4.195 . 0 0 "[ . 1 . ]" 1
320 1 138 CYS HB2 1 142 VAL H 4.686 . 4.986 2.463 2.363 2.591 . 0 0 "[ . 1 . ]" 1
321 1 139 THR H 1 142 VAL HB 4.747 . 5.047 3.756 3.474 4.050 . 0 0 "[ . 1 . ]" 1
322 1 139 THR H 1 142 VAL H 4.520 . 4.820 3.644 3.296 3.849 . 0 0 "[ . 1 . ]" 1
323 1 140 ARG HA 1 142 VAL H 4.623 . 4.923 4.306 4.212 4.416 . 0 0 "[ . 1 . ]" 1
324 1 140 ARG QG 1 142 VAL H 5.520 . 5.820 3.143 2.323 4.799 . 0 0 "[ . 1 . ]" 1
325 1 141 GLY HA2 1 142 VAL H 3.838 . 4.138 3.425 3.413 3.430 . 0 0 "[ . 1 . ]" 1
326 1 142 VAL H 1 142 VAL HB 3.163 . 3.463 2.382 2.368 2.410 . 0 0 "[ . 1 . ]" 1
327 1 108 PRO HA 1 143 ALA H 5.721 . 6.021 4.734 4.418 5.043 . 0 0 "[ . 1 . ]" 1
328 1 109 ARG HB3 1 143 ALA H 5.531 . 5.831 5.267 5.017 5.499 . 0 0 "[ . 1 . ]" 1
329 1 109 ARG HB2 1 143 ALA H 4.737 . 5.037 4.660 4.393 5.034 . 0 0 "[ . 1 . ]" 1
330 1 111 VAL H 1 143 ALA MB 5.752 . 6.052 3.840 3.373 4.385 . 0 0 "[ . 1 . ]" 1
331 1 138 CYS HB2 1 143 ALA H 5.796 . 6.096 3.970 3.851 4.119 . 0 0 "[ . 1 . ]" 1
332 1 142 VAL HA 1 143 ALA H 3.478 . 3.778 2.215 2.208 2.235 . 0 0 "[ . 1 . ]" 1
333 1 142 VAL MG1 1 143 ALA H 5.048 . 5.348 2.927 2.758 3.023 . 0 0 "[ . 1 . ]" 1
334 1 142 VAL MG2 1 143 ALA H 4.601 . 4.901 4.153 4.121 4.181 . 0 0 "[ . 1 . ]" 1
335 1 142 VAL H 1 143 ALA H 4.837 . 5.137 4.454 4.417 4.496 . 0 0 "[ . 1 . ]" 1
336 1 105 LEU H 1 144 LYS HB3 5.193 . 5.493 4.746 4.448 5.459 . 0 0 "[ . 1 . ]" 1
337 1 137 VAL HB 1 144 LYS H 3.869 . 4.169 4.041 3.773 4.295 0.126 13 0 "[ . 1 . ]" 1
338 1 138 CYS HA 1 144 LYS H 4.318 . 4.618 3.038 2.895 3.200 . 0 0 "[ . 1 . ]" 1
339 1 139 THR H 1 144 LYS HG3 5.816 . 6.116 4.257 3.567 4.591 . 0 0 "[ . 1 . ]" 1
340 1 139 THR H 1 144 LYS H 5.065 . 5.365 4.621 4.352 4.821 . 0 0 "[ . 1 . ]" 1
341 1 143 ALA HA 1 144 LYS H 3.533 . 3.833 2.191 2.175 2.205 . 0 0 "[ . 1 . ]" 1
342 1 143 ALA MB 1 144 LYS H 4.451 . 4.751 3.374 3.280 3.422 . 0 0 "[ . 1 . ]" 1
343 1 143 ALA H 1 144 LYS H 5.469 . 5.769 4.449 4.408 4.512 . 0 0 "[ . 1 . ]" 1
344 1 144 LYS H 1 144 LYS HB2 4.108 . 4.408 2.373 2.309 2.437 . 0 0 "[ . 1 . ]" 1
345 1 144 LYS H 1 144 LYS HG3 3.716 . 4.016 2.681 2.502 2.828 . 0 0 "[ . 1 . ]" 1
346 1 105 LEU H 1 145 ALA HA 3.617 . 3.917 2.497 2.003 2.983 . 0 0 "[ . 1 . ]" 1
347 1 105 LEU H 1 145 ALA H 5.000 . 5.300 4.602 4.248 5.014 . 0 0 "[ . 1 . ]" 1
348 1 137 VAL HB 1 145 ALA H 3.442 . 3.742 2.936 2.716 3.184 . 0 0 "[ . 1 . ]" 1
349 1 137 VAL MG1 1 145 ALA H 4.429 . 4.729 3.926 3.579 4.202 . 0 0 "[ . 1 . ]" 1
350 1 137 VAL MG2 1 145 ALA H 5.046 . 5.346 4.250 3.887 4.645 . 0 0 "[ . 1 . ]" 1
351 1 138 CYS HA 1 145 ALA H 4.867 . 5.167 4.444 4.294 4.604 . 0 0 "[ . 1 . ]" 1
352 1 144 LYS HA 1 145 ALA H 3.837 . 4.137 3.515 3.456 3.532 . 0 0 "[ . 1 . ]" 1
353 1 144 LYS HB2 1 145 ALA H 3.446 . 3.746 2.818 2.695 3.156 . 0 0 "[ . 1 . ]" 1
354 1 103 GLY H 1 146 VAL MG2 5.462 . 5.762 2.999 2.679 3.665 . 0 0 "[ . 1 . ]" 1
355 1 103 GLY H 1 146 VAL H 4.768 . 5.068 3.263 2.932 3.753 . 0 0 "[ . 1 . ]" 1
356 1 104 SER H 1 146 VAL MG2 6.098 . 6.398 3.912 3.587 4.519 . 0 0 "[ . 1 . ]" 1
357 1 104 SER HA 1 146 VAL H 4.000 . 4.300 3.131 2.440 3.587 . 0 0 "[ . 1 . ]" 1
358 1 105 LEU H 1 146 VAL H 5.114 . 5.414 4.348 3.383 4.755 . 0 0 "[ . 1 . ]" 1
359 1 137 VAL H 1 146 VAL H 5.077 . 5.377 5.248 5.064 5.461 0.084 14 0 "[ . 1 . ]" 1
360 1 145 ALA HA 1 146 VAL H 4.996 . 5.296 2.450 2.364 2.495 . 0 0 "[ . 1 . ]" 1
361 1 145 ALA MB 1 146 VAL H 4.056 . 4.356 2.613 2.473 2.831 . 0 0 "[ . 1 . ]" 1
362 1 146 VAL H 1 146 VAL MG1 4.151 . 4.451 2.905 2.771 2.991 . 0 0 "[ . 1 . ]" 1
363 1 103 GLY H 1 147 ASP HA 4.974 . 5.274 3.402 3.054 3.897 . 0 0 "[ . 1 . ]" 1
364 1 103 GLY H 1 147 ASP QB 5.500 . 5.800 4.926 4.278 5.583 . 0 0 "[ . 1 . ]" 1
365 1 137 VAL MG2 1 147 ASP H 4.317 . 4.617 2.941 2.875 3.054 . 0 0 "[ . 1 . ]" 1
366 1 146 VAL HA 1 147 ASP H 3.563 . 3.863 2.237 2.209 2.284 . 0 0 "[ . 1 . ]" 1
367 1 146 VAL HB 1 147 ASP H 3.933 . 4.233 3.217 2.972 3.390 . 0 0 "[ . 1 . ]" 1
368 1 102 ARG H 1 148 PHE HE2 5.500 . 5.800 4.282 3.337 5.801 0.001 7 0 "[ . 1 . ]" 1
369 1 103 GLY H 1 148 PHE HE2 5.577 . 5.877 3.303 2.266 3.980 . 0 0 "[ . 1 . ]" 1
370 1 150 PRO HA 1 151 VAL H 4.012 . 4.312 2.437 2.306 2.693 . 0 0 "[ . 1 . ]" 1
371 1 150 PRO HB2 1 153 SER H 4.275 . 4.575 3.233 2.851 3.856 . 0 0 "[ . 1 . ]" 1
372 1 150 PRO HG2 1 153 SER H 3.441 . 3.741 2.697 2.378 3.087 . 0 0 "[ . 1 . ]" 1
373 1 152 GLU HA 1 153 SER H 3.974 . 4.274 3.549 3.517 3.575 . 0 0 "[ . 1 . ]" 1
374 1 152 GLU HB2 1 153 SER H 3.800 . 4.100 3.529 2.636 3.866 . 0 0 "[ . 1 . ]" 1
375 1 153 SER H 1 153 SER HB3 3.459 . 3.759 2.763 2.284 3.536 . 0 0 "[ . 1 . ]" 1
376 1 153 SER H 1 153 SER HB2 3.861 . 4.161 2.587 2.153 3.530 . 0 0 "[ . 1 . ]" 1
377 1 153 SER H 1 154 MET HB2 4.884 . 5.184 4.731 4.480 4.986 . 0 0 "[ . 1 . ]" 1
378 1 153 SER HA 1 154 MET H 5.500 . 5.800 3.525 3.498 3.558 . 0 0 "[ . 1 . ]" 1
379 1 153 SER H 1 154 MET H 3.741 . 4.041 2.674 2.461 2.725 . 0 0 "[ . 1 . ]" 1
380 1 155 GLU H 1 155 GLU QB 3.500 . 3.800 2.168 1.992 2.312 . 0 0 "[ . 1 . ]" 1
381 1 155 GLU H 1 155 GLU QG 4.000 . 4.300 3.455 2.097 4.000 . 0 0 "[ . 1 . ]" 1
382 1 155 GLU HA 1 156 THR H 5.500 . 5.800 3.571 3.540 3.592 . 0 0 "[ . 1 . ]" 1
383 1 155 GLU QB 1 156 THR H 5.500 . 5.800 2.471 2.255 2.669 . 0 0 "[ . 1 . ]" 1
384 1 155 GLU QG 1 156 THR H 5.500 . 5.800 3.837 3.417 4.372 . 0 0 "[ . 1 . ]" 1
385 1 152 GLU HA 1 155 GLU H 4.000 . 4.300 3.554 3.303 3.915 . 0 0 "[ . 1 . ]" 1
386 1 154 MET H 1 156 THR H 5.500 . 5.800 4.446 4.198 4.711 . 0 0 "[ . 1 . ]" 1
387 1 156 THR H 1 156 THR HB 3.870 . 4.170 2.473 2.411 2.567 . 0 0 "[ . 1 . ]" 1
388 1 156 THR H 1 157 THR H 3.100 . 3.400 2.663 2.543 2.773 . 0 0 "[ . 1 . ]" 1
389 1 156 THR HB 1 157 THR H 5.500 . 5.800 2.822 2.500 4.128 . 0 0 "[ . 1 . ]" 1
390 1 156 THR H 1 159 ARG H 5.500 . 5.800 5.161 4.733 5.649 . 0 0 "[ . 1 . ]" 1
391 1 156 THR MG 1 160 ALA H 5.500 . 5.800 4.672 4.201 5.638 . 0 0 "[ . 1 . ]" 1
392 1 157 THR H 1 157 THR HA 2.940 . 3.240 2.877 2.848 2.902 . 0 0 "[ . 1 . ]" 1
393 1 157 THR H 1 157 THR HB 2.770 . 3.070 2.460 2.425 2.537 . 0 0 "[ . 1 . ]" 1
394 1 157 THR HA 1 158 MET H 5.500 . 5.800 3.554 3.526 3.585 . 0 0 "[ . 1 . ]" 1
395 1 157 THR MG 1 158 MET H 4.400 . 4.700 3.549 3.289 3.725 . 0 0 "[ . 1 . ]" 1
396 1 32 TRP HZ2 1 158 MET H 4.910 . 5.210 4.619 3.882 5.164 . 0 0 "[ . 1 . ]" 1
397 1 158 MET H 1 158 MET HA 3.000 . 3.300 2.850 2.845 2.873 . 0 0 "[ . 1 . ]" 1
398 1 158 MET H 1 158 MET QB 2.680 . 2.980 2.164 2.023 2.295 . 0 0 "[ . 1 . ]" 1
399 1 159 ARG H 1 159 ARG QB 3.310 . 3.610 2.247 2.121 2.367 . 0 0 "[ . 1 . ]" 1
400 1 160 ALA H 1 160 ALA HA 3.000 . 3.300 2.917 2.857 2.936 . 0 0 "[ . 1 . ]" 1
401 1 160 ALA H 1 160 ALA MB 2.700 . 3.000 2.100 1.976 2.181 . 0 0 "[ . 1 . ]" 1
402 1 22 PHE HZ 1 38 ALA H 6.000 . 6.300 5.278 4.537 5.959 . 0 0 "[ . 1 . ]" 1
403 1 31 CYS H 1 65 GLN HA 5.000 . 5.300 4.513 3.408 4.862 . 0 0 "[ . 1 . ]" 1
404 1 46 PRO HA 1 48 GLY H 5.000 . 5.300 4.253 3.495 4.666 . 0 0 "[ . 1 . ]" 1
405 1 48 GLY H 1 49 PRO HA 5.000 . 5.300 4.937 4.489 5.257 . 0 0 "[ . 1 . ]" 1
406 1 134 ARG QB 1 148 PHE H 5.500 . 5.800 4.513 4.133 4.753 . 0 0 "[ . 1 . ]" 1
407 1 134 ARG QB 1 149 VAL H 5.500 . 5.800 3.321 2.828 3.982 . 0 0 "[ . 1 . ]" 1
408 1 105 LEU MD1 1 107 SER H 5.500 . 5.800 3.360 2.850 4.948 . 0 0 "[ . 1 . ]" 1
409 1 107 SER H 1 108 PRO QD 5.500 . 5.800 4.144 3.903 4.393 . 0 0 "[ . 1 . ]" 1
410 1 109 ARG H 1 144 LYS HA 5.500 . 5.800 4.530 4.162 4.993 . 0 0 "[ . 1 . ]" 1
411 1 109 ARG QB 1 114 LEU H 5.500 . 5.800 4.151 3.797 4.490 . 0 0 "[ . 1 . ]" 1
412 1 159 ARG HA 1 160 ALA H 5.500 . 5.800 3.563 3.559 3.567 . 0 0 "[ . 1 . ]" 1
413 1 73 LEU MD1 1 129 ALA H 5.500 . 5.800 4.397 2.036 5.594 . 0 0 "[ . 1 . ]" 1
414 1 130 VAL H 1 151 VAL QG 5.500 . 5.800 4.103 3.624 4.662 . 0 0 "[ . 1 . ]" 1
415 1 130 VAL MG1 1 131 GLY H 5.500 . 5.800 3.245 1.950 4.003 . 0 0 "[ . 1 . ]" 1
416 1 124 CYS H 1 130 VAL MG1 5.500 . 5.800 4.310 3.107 5.752 . 0 0 "[ . 1 . ]" 1
417 1 124 CYS H 1 130 VAL MG2 5.500 . 5.800 3.788 1.978 5.807 0.007 8 0 "[ . 1 . ]" 1
418 1 155 GLU H 1 156 THR HB 5.500 . 5.800 4.980 4.838 5.363 . 0 0 "[ . 1 . ]" 1
419 1 151 VAL HA 1 154 MET H 5.500 . 5.800 3.485 3.195 3.728 . 0 0 "[ . 1 . ]" 1
420 1 117 SER QB 1 118 SER H 5.500 . 5.800 3.693 3.457 3.989 . 0 0 "[ . 1 . ]" 1
421 1 115 LYS H 1 116 GLY H 5.500 . 5.800 4.496 4.365 4.657 . 0 0 "[ . 1 . ]" 1
422 1 114 LEU HG 1 116 GLY H 5.500 . 5.800 5.153 4.790 5.825 0.025 1 0 "[ . 1 . ]" 1
423 1 139 THR H 1 140 ARG QG 5.500 . 5.800 4.101 3.849 4.530 . 0 0 "[ . 1 . ]" 1
424 1 140 ARG QD 1 141 GLY H 5.500 . 5.800 5.403 4.656 5.870 0.070 3 0 "[ . 1 . ]" 1
425 1 139 THR H 1 144 LYS QG 5.500 . 5.800 4.166 3.508 4.486 . 0 0 "[ . 1 . ]" 1
426 1 143 ALA H 1 144 LYS QG 5.500 . 5.800 4.450 4.324 4.567 . 0 0 "[ . 1 . ]" 1
427 1 105 LEU H 1 144 LYS QB 5.500 . 5.800 4.486 4.239 5.050 . 0 0 "[ . 1 . ]" 1
428 1 105 LEU QB 1 145 ALA H 5.500 . 5.800 4.159 3.327 4.456 . 0 0 "[ . 1 . ]" 1
429 1 111 VAL MG1 1 115 LYS H 5.500 . 5.800 4.194 3.543 4.498 . 0 0 "[ . 1 . ]" 1
430 1 114 LEU QB 1 115 LYS H 4.000 . 4.300 3.467 2.884 3.627 . 0 0 "[ . 1 . ]" 1
431 1 113 TYR HD2 1 115 LYS H 5.500 . 5.800 5.428 5.074 5.955 0.155 13 0 "[ . 1 . ]" 1
432 1 113 TYR H 1 114 LEU QB 4.000 . 4.300 4.365 4.309 4.441 0.141 11 0 "[ . 1 . ]" 1
433 1 112 SER H 1 114 LEU H 4.000 . 4.300 4.231 4.088 4.338 0.038 16 0 "[ . 1 . ]" 1
434 1 110 PRO QB 1 113 TYR H 4.000 . 4.300 3.151 2.937 3.277 . 0 0 "[ . 1 . ]" 1
435 1 112 SER QB 1 113 TYR H 4.000 . 4.300 2.488 2.298 2.702 . 0 0 "[ . 1 . ]" 1
436 1 84 TYR HA 1 95 VAL H 4.000 . 4.300 3.693 3.227 3.933 . 0 0 "[ . 1 . ]" 1
437 1 4 ASP HA 1 4 ASP HB2 2.776 . 3.076 2.812 2.482 3.035 . 0 0 "[ . 1 . ]" 1
438 1 7 GLN HA 1 8 VAL MG1 5.500 . 5.800 4.969 3.467 5.968 0.168 1 0 "[ . 1 . ]" 1
439 1 8 VAL HA 1 8 VAL MG2 3.115 . 3.415 2.542 2.290 3.209 . 0 0 "[ . 1 . ]" 1
440 1 16 SER HA 1 16 SER HB3 2.795 . 3.095 2.616 2.492 3.035 . 0 0 "[ . 1 . ]" 1
441 1 16 SER HA 1 16 SER HB2 2.833 . 3.133 2.949 2.510 3.034 . 0 0 "[ . 1 . ]" 1
442 1 16 SER HB3 1 17 THR HA 4.500 . 4.800 4.762 4.588 4.846 0.046 15 0 "[ . 1 . ]" 1
443 1 17 THR HA 1 17 THR MG 3.460 . 3.760 2.064 2.018 2.298 . 0 0 "[ . 1 . ]" 1
444 1 19 THR HA 1 19 THR HB 2.723 . 3.023 2.503 2.447 2.606 . 0 0 "[ . 1 . ]" 1
445 1 19 THR HA 1 19 THR MG 3.276 . 3.576 2.588 2.215 3.206 . 0 0 "[ . 1 . ]" 1
446 1 20 GLN QB 1 20 GLN QG 2.341 . 2.641 2.087 2.032 2.109 . 0 0 "[ . 1 . ]" 1
447 1 21 SER HA 1 22 PHE HE1 4.000 . 4.300 4.321 4.157 4.407 0.107 1 0 "[ . 1 . ]" 1
448 1 22 PHE HA 1 22 PHE HB3 2.800 . 3.100 2.410 2.348 2.449 . 0 0 "[ . 1 . ]" 1
449 1 14 VAL HA 1 23 LEU HA 3.752 . 4.052 3.131 2.164 3.705 . 0 0 "[ . 1 . ]" 1
450 1 14 VAL HA 1 23 LEU MD1 3.392 . 3.692 3.803 3.702 3.968 0.276 13 0 "[ . 1 . ]" 1
451 1 14 VAL HA 1 23 LEU MD2 3.392 . 3.692 1.997 1.810 3.324 . 0 0 "[ . 1 . ]" 1
452 1 23 LEU HA 1 23 LEU MD2 3.392 . 3.692 2.095 1.907 3.208 . 0 0 "[ . 1 . ]" 1
453 1 23 LEU HB3 1 23 LEU MD2 2.915 . 3.215 2.338 2.063 2.466 . 0 0 "[ . 1 . ]" 1
454 1 23 LEU HA 1 23 LEU HG 3.012 . 3.312 2.984 1.998 3.268 . 0 0 "[ . 1 . ]" 1
455 1 23 LEU HB3 1 23 LEU HG 2.708 . 3.008 3.014 2.821 3.037 0.029 11 0 "[ . 1 . ]" 1
456 1 15 VAL MG1 1 24 ALA MB 3.817 . 4.117 3.326 2.537 4.090 . 0 0 "[ . 1 . ]" 1
457 1 15 VAL MG2 1 24 ALA MB 4.000 . 4.300 3.270 2.296 4.356 0.056 15 0 "[ . 1 . ]" 1
458 1 25 THR HA 1 25 THR MG 3.154 . 3.454 2.446 2.261 3.201 . 0 0 "[ . 1 . ]" 1
459 1 27 VAL HA 1 27 VAL MG1 3.006 . 3.306 2.405 2.254 3.203 . 0 0 "[ . 1 . ]" 1
460 1 28 ASN HB2 1 30 VAL MG2 5.046 . 5.346 4.171 3.115 5.335 . 0 0 "[ . 1 . ]" 1
461 1 30 VAL HA 1 30 VAL MG1 3.438 . 3.738 2.470 2.297 3.225 . 0 0 "[ . 1 . ]" 1
462 1 30 VAL HA 1 30 VAL MG2 2.767 . 3.067 2.348 2.264 2.451 . 0 0 "[ . 1 . ]" 1
463 1 24 ALA MB 1 33 THR HA 4.314 . 4.614 3.988 3.645 4.616 0.002 18 0 "[ . 1 . ]" 1
464 1 24 ALA HA 1 33 THR HB 3.449 . 3.749 3.334 2.433 3.875 0.126 11 0 "[ . 1 . ]" 1
465 1 24 ALA MB 1 33 THR HB 3.418 . 3.718 2.858 2.119 3.712 . 0 0 "[ . 1 . ]" 1
466 1 22 PHE HZ 1 38 ALA HA 4.000 . 4.300 3.879 2.685 4.336 0.036 10 0 "[ . 1 . ]" 1
467 1 40 SER HA 1 40 SER HB3 2.743 . 3.043 2.660 2.377 3.038 . 0 0 "[ . 1 . ]" 1
468 1 41 LYS HA 1 41 LYS HG3 3.518 . 3.818 2.866 2.300 3.867 0.049 7 0 "[ . 1 . ]" 1
469 1 42 THR HA 1 42 THR MG 3.411 . 3.711 2.590 2.175 3.224 . 0 0 "[ . 1 . ]" 1
470 1 15 VAL MG2 1 43 LEU MD1 3.727 . 4.027 3.549 2.547 4.065 0.038 16 0 "[ . 1 . ]" 1
471 1 17 THR HA 1 43 LEU MD1 5.636 . 5.936 5.224 3.734 5.946 0.010 4 0 "[ . 1 . ]" 1
472 1 17 THR MG 1 43 LEU MD1 4.122 . 4.422 3.822 2.150 4.432 0.010 9 0 "[ . 1 . ]" 1
473 1 38 ALA HA 1 43 LEU MD1 5.500 . 5.800 4.525 2.686 5.443 . 0 0 "[ . 1 . ]" 1
474 1 38 ALA MB 1 43 LEU MD1 3.975 . 4.275 3.227 1.934 4.126 . 0 0 "[ . 1 . ]" 1
475 1 38 ALA MB 1 43 LEU MD2 3.905 . 4.205 3.051 1.819 4.225 0.020 15 0 "[ . 1 . ]" 1
476 1 43 LEU HA 1 43 LEU MD1 3.254 . 3.554 3.156 1.934 3.802 0.248 11 0 "[ . 1 . ]" 1
477 1 43 LEU HB3 1 43 LEU MD1 3.243 . 3.543 2.606 2.174 3.171 . 0 0 "[ . 1 . ]" 1
478 1 43 LEU HB3 1 43 LEU MD2 3.017 . 3.317 2.426 1.958 3.213 . 0 0 "[ . 1 . ]" 1
479 1 45 GLY QA 1 46 PRO QD 3.806 . 4.106 2.041 1.929 2.107 . 0 0 "[ . 1 . ]" 1
480 1 46 PRO HA 1 46 PRO HB3 2.847 . 3.147 2.307 2.299 2.312 . 0 0 "[ . 1 . ]" 1
481 1 46 PRO HA 1 46 PRO QD 3.817 . 4.117 3.367 3.328 3.408 . 0 0 "[ . 1 . ]" 1
482 1 46 PRO HB3 1 46 PRO QD 2.700 . 3.000 2.885 2.826 2.948 . 0 0 "[ . 1 . ]" 1
483 1 46 PRO HA 1 46 PRO HG2 3.367 . 3.667 3.822 3.789 3.864 0.197 11 0 "[ . 1 . ]" 1
484 1 47 LYS HA 1 47 LYS HB3 2.954 . 3.254 2.764 2.493 3.039 . 0 0 "[ . 1 . ]" 1
485 1 47 LYS HA 1 47 LYS HB2 2.795 . 3.095 2.825 2.482 3.034 . 0 0 "[ . 1 . ]" 1
486 1 47 LYS HA 1 47 LYS HE2 4.771 . 5.071 4.733 3.609 5.197 0.126 14 0 "[ . 1 . ]" 1
487 1 47 LYS HE2 1 47 LYS HG3 3.506 . 3.806 3.170 2.500 3.816 0.010 5 0 "[ . 1 . ]" 1
488 1 47 LYS HA 1 47 LYS HG2 4.009 . 4.309 2.928 2.117 3.742 . 0 0 "[ . 1 . ]" 1
489 1 47 LYS HE3 1 47 LYS HG2 3.250 . 3.550 3.074 2.307 3.691 0.141 14 0 "[ . 1 . ]" 1
490 1 44 ALA MB 1 49 PRO HA 5.092 . 5.392 3.958 1.992 5.328 . 0 0 "[ . 1 . ]" 1
491 1 48 GLY HA3 1 49 PRO HD3 3.224 . 3.524 3.117 2.492 3.559 0.035 10 0 "[ . 1 . ]" 1
492 1 48 GLY HA2 1 49 PRO HD3 3.356 . 3.656 2.546 1.985 3.047 . 0 0 "[ . 1 . ]" 1
493 1 49 PRO HA 1 49 PRO HB3 2.894 . 3.194 2.313 2.308 2.315 . 0 0 "[ . 1 . ]" 1
494 1 49 PRO HB3 1 49 PRO HD3 3.571 . 3.871 3.122 3.016 3.444 . 0 0 "[ . 1 . ]" 1
495 1 49 PRO HB2 1 49 PRO HD3 4.000 . 4.300 3.981 3.940 4.087 . 0 0 "[ . 1 . ]" 1
496 1 49 PRO HA 1 50 ILE HG13 4.695 . 4.995 4.306 3.258 5.022 0.027 10 0 "[ . 1 . ]" 1
497 1 49 PRO QB 1 50 ILE HG13 5.000 . 5.300 4.938 4.512 5.363 0.063 1 0 "[ . 1 . ]" 1
498 1 51 THR HA 1 51 THR MG 2.970 . 3.270 2.506 2.136 3.209 . 0 0 "[ . 1 . ]" 1
499 1 35 TYR HD1 1 55 THR HB 5.551 . 5.851 4.749 2.598 5.652 . 0 0 "[ . 1 . ]" 1
500 1 55 THR HA 1 55 THR MG 3.352 . 3.652 2.323 2.095 2.444 . 0 0 "[ . 1 . ]" 1
501 1 57 VAL HA 1 57 VAL MG2 3.512 . 3.812 2.334 2.295 2.392 . 0 0 "[ . 1 . ]" 1
502 1 58 ASP HA 1 58 ASP HB3 2.691 . 2.991 2.894 2.551 3.039 0.048 16 0 "[ . 1 . ]" 1
503 1 57 VAL HA 1 60 ASP HA 4.812 . 5.112 3.052 2.856 3.257 . 0 0 "[ . 1 . ]" 1
504 1 61 LEU HA 1 61 LEU MD2 4.416 . 4.716 2.989 1.948 3.791 . 0 0 "[ . 1 . ]" 1
505 1 35 TYR HD1 1 62 VAL MG1 2.800 . 3.100 2.725 1.797 3.231 0.131 15 0 "[ . 1 . ]" 1
506 1 38 ALA MB 1 62 VAL MG2 3.083 . 3.383 3.126 2.653 3.445 0.062 13 0 "[ . 1 . ]" 1
507 1 55 THR HA 1 62 VAL MG1 4.315 . 4.615 2.607 1.797 4.534 0.003 8 0 "[ . 1 . ]" 1
508 1 62 VAL HA 1 62 VAL MG2 3.506 . 3.806 2.739 2.317 3.215 . 0 0 "[ . 1 . ]" 1
509 1 32 TRP HA 1 63 GLY QA 3.940 . 4.240 2.536 2.102 2.781 . 0 0 "[ . 1 . ]" 1
510 1 24 ALA MB 1 64 TRP HZ3 3.674 . 3.974 3.201 1.883 3.982 0.008 4 0 "[ . 1 . ]" 1
511 1 65 GLN HA 1 65 GLN HB3 2.539 . 2.839 2.741 2.445 3.029 0.190 16 0 "[ . 1 . ]" 1
512 1 65 GLN HA 1 65 GLN HG3 3.536 . 3.836 3.071 2.401 3.733 . 0 0 "[ . 1 . ]" 1
513 1 29 GLY HA2 1 66 ALA MB 4.000 . 4.300 3.227 2.507 4.302 0.002 2 0 "[ . 1 . ]" 1
514 1 65 GLN HB3 1 66 ALA HA 6.000 . 6.300 5.006 4.588 6.020 . 0 0 "[ . 1 . ]" 1
515 1 68 PRO HA 1 68 PRO HB3 2.867 . 3.167 2.313 2.311 2.314 . 0 0 "[ . 1 . ]" 1
516 1 68 PRO HA 1 68 PRO HG3 4.000 . 4.300 3.998 3.987 4.009 . 0 0 "[ . 1 . ]" 1
517 1 68 PRO HD3 1 68 PRO HG2 2.590 . 2.890 2.948 2.931 2.969 0.079 13 0 "[ . 1 . ]" 1
518 1 11 GLU QB 1 73 LEU MD1 3.953 . 4.253 2.756 1.814 3.934 . 0 0 "[ . 1 . ]" 1
519 1 27 VAL MG2 1 73 LEU HB2 4.327 . 4.627 2.859 2.006 4.377 . 0 0 "[ . 1 . ]" 1
520 1 73 LEU HB3 1 73 LEU MD1 3.381 . 3.681 2.605 2.325 3.187 . 0 0 "[ . 1 . ]" 1
521 1 74 THR HA 1 74 THR MG 3.575 . 3.875 2.561 2.021 3.212 . 0 0 "[ . 1 . ]" 1
522 1 81 SER HA 1 81 SER HB3 2.791 . 3.091 2.506 2.417 2.549 . 0 0 "[ . 1 . ]" 1
523 1 81 SER HA 1 83 LEU MD2 5.500 . 5.800 4.690 4.261 5.122 . 0 0 "[ . 1 . ]" 1
524 1 83 LEU HA 1 83 LEU MD1 4.492 . 4.792 3.818 3.781 3.852 . 0 0 "[ . 1 . ]" 1
525 1 83 LEU HB3 1 83 LEU MD1 3.116 . 3.416 2.442 2.335 2.548 . 0 0 "[ . 1 . ]" 1
526 1 83 LEU HA 1 83 LEU MD2 3.339 . 3.639 2.067 1.955 2.301 . 0 0 "[ . 1 . ]" 1
527 1 82 ASP HB3 1 84 TYR HE2 4.408 . 4.708 3.974 3.183 4.522 . 0 0 "[ . 1 . ]" 1
528 1 84 TYR HA 1 84 TYR HD2 4.391 . 4.691 3.932 3.680 4.255 . 0 0 "[ . 1 . ]" 1
529 1 84 TYR HA 1 85 LEU HB3 5.280 . 5.580 4.614 4.530 4.823 . 0 0 "[ . 1 . ]" 1
530 1 85 LEU HA 1 85 LEU MD1 3.740 . 4.040 2.730 1.954 3.575 . 0 0 "[ . 1 . ]" 1
531 1 85 LEU HA 1 85 LEU HG 4.124 . 4.424 2.597 2.154 3.021 . 0 0 "[ . 1 . ]" 1
532 1 86 VAL HA 1 86 VAL MG1 3.344 . 3.644 2.392 2.308 2.438 . 0 0 "[ . 1 . ]" 1
533 1 85 LEU MD2 1 87 THR MG 4.203 . 4.503 3.156 1.936 4.507 0.004 9 0 "[ . 1 . ]" 1
534 1 87 THR HA 1 87 THR MG 3.500 . 3.800 2.259 2.108 2.587 . 0 0 "[ . 1 . ]" 1
535 1 23 LEU MD2 1 88 ARG HA 3.180 . 3.480 3.269 2.679 3.530 0.050 1 0 "[ . 1 . ]" 1
536 1 23 LEU MD2 1 88 ARG QB 4.000 . 4.300 3.618 2.912 4.323 0.023 18 0 "[ . 1 . ]" 1
537 1 23 LEU HG 1 88 ARG HA 4.097 . 4.397 4.259 3.995 4.442 0.045 11 0 "[ . 1 . ]" 1
538 1 23 LEU MD1 1 88 ARG HA 2.800 . 3.100 2.126 1.911 2.439 . 0 0 "[ . 1 . ]" 1
539 1 23 LEU MD1 1 88 ARG QB 4.160 . 4.460 2.586 1.965 3.463 . 0 0 "[ . 1 . ]" 1
540 1 86 VAL HA 1 90 ALA HA 4.979 . 5.279 4.873 4.336 5.285 0.006 3 0 "[ . 1 . ]" 1
541 1 86 VAL MG1 1 90 ALA HA 3.783 . 4.083 3.270 2.476 4.086 0.003 17 0 "[ . 1 . ]" 1
542 1 87 THR MG 1 91 ASP HB2 3.860 . 4.160 3.684 2.802 4.204 0.044 17 0 "[ . 1 . ]" 1
543 1 84 TYR HA 1 94 PRO HB3 4.610 . 4.910 4.857 4.255 4.977 0.067 1 0 "[ . 1 . ]" 1
544 1 83 LEU HA 1 95 VAL HB 4.795 . 5.095 4.915 4.622 5.106 0.011 11 0 "[ . 1 . ]" 1
545 1 83 LEU HB2 1 95 VAL HB 2.800 . 3.100 2.371 2.042 2.773 . 0 0 "[ . 1 . ]" 1
546 1 85 LEU HB2 1 95 VAL MG2 5.679 . 5.979 2.636 2.267 3.128 . 0 0 "[ . 1 . ]" 1
547 1 95 VAL HA 1 95 VAL MG2 3.353 . 3.653 2.333 2.267 2.405 . 0 0 "[ . 1 . ]" 1
548 1 81 SER HB2 1 96 ARG HD2 3.904 . 4.204 3.916 3.156 4.224 0.020 16 0 "[ . 1 . ]" 1
549 1 81 SER HB3 1 96 ARG HG3 6.082 . 6.382 4.787 3.361 6.385 0.003 8 0 "[ . 1 . ]" 1
550 1 82 ASP HA 1 96 ARG HA 3.992 . 4.292 3.239 2.894 3.922 . 0 0 "[ . 1 . ]" 1
551 1 83 LEU MD1 1 96 ARG HA 5.704 . 6.004 4.711 3.846 5.432 . 0 0 "[ . 1 . ]" 1
552 1 96 ARG HA 1 96 ARG HD2 3.213 . 3.513 2.667 2.009 3.469 . 0 0 "[ . 1 . ]" 1
553 1 96 ARG HA 1 96 ARG HG3 4.124 . 4.424 2.968 2.582 3.692 . 0 0 "[ . 1 . ]" 1
554 1 96 ARG HD2 1 96 ARG HG3 2.779 . 3.079 2.472 2.274 3.026 . 0 0 "[ . 1 . ]" 1
555 1 96 ARG HA 1 96 ARG HG2 3.743 . 4.043 3.374 2.178 3.751 . 0 0 "[ . 1 . ]" 1
556 1 81 SER HA 1 97 ARG HB3 3.349 . 3.649 2.458 2.113 2.782 . 0 0 "[ . 1 . ]" 1
557 1 81 SER HB3 1 97 ARG HB3 3.525 . 3.825 3.120 2.465 3.832 0.007 14 0 "[ . 1 . ]" 1
558 1 81 SER HA 1 97 ARG HB2 3.413 . 3.713 2.351 2.122 2.932 . 0 0 "[ . 1 . ]" 1
559 1 81 SER HB3 1 97 ARG HB2 3.976 . 4.276 3.877 3.342 4.300 0.024 1 0 "[ . 1 . ]" 1
560 1 81 SER HA 1 97 ARG HD3 4.106 . 4.406 3.204 2.382 4.327 . 0 0 "[ . 1 . ]" 1
561 1 81 SER HA 1 97 ARG HD2 4.197 . 4.497 3.401 2.552 4.508 0.011 11 0 "[ . 1 . ]" 1
562 1 81 SER HA 1 97 ARG HG3 4.639 . 4.939 4.375 4.167 4.856 . 0 0 "[ . 1 . ]" 1
563 1 83 LEU MD1 1 97 ARG HA 4.000 . 4.300 3.310 2.724 3.872 . 0 0 "[ . 1 . ]" 1
564 1 83 LEU MD1 1 97 ARG HB3 4.841 . 5.141 4.216 3.769 4.828 . 0 0 "[ . 1 . ]" 1
565 1 83 LEU MD1 1 97 ARG HB2 3.500 . 3.800 2.722 2.215 3.336 . 0 0 "[ . 1 . ]" 1
566 1 83 LEU MD1 1 97 ARG HD3 4.767 . 5.067 4.343 3.391 4.997 . 0 0 "[ . 1 . ]" 1
567 1 83 LEU MD1 1 97 ARG HD2 4.918 . 5.218 3.785 2.711 5.082 . 0 0 "[ . 1 . ]" 1
568 1 83 LEU MD1 1 97 ARG HG3 5.094 . 5.394 3.272 2.470 3.885 . 0 0 "[ . 1 . ]" 1
569 1 97 ARG HB2 1 97 ARG QD 3.513 . 3.813 2.465 2.278 3.122 . 0 0 "[ . 1 . ]" 1
570 1 97 ARG HA 1 97 ARG QD 4.588 . 4.888 3.998 3.779 4.187 . 0 0 "[ . 1 . ]" 1
571 1 98 ARG HA 1 98 ARG HD3 4.000 . 4.300 3.199 2.037 4.472 0.172 15 0 "[ . 1 . ]" 1
572 1 98 ARG HA 1 98 ARG HG3 3.800 . 4.100 3.440 2.583 4.146 0.046 5 0 "[ . 1 . ]" 1
573 1 98 ARG HB2 1 98 ARG HG3 2.792 . 3.092 2.535 2.263 3.036 . 0 0 "[ . 1 . ]" 1
574 1 99 GLY HA3 1 102 ARG HB3 5.731 . 6.031 3.139 2.212 4.328 . 0 0 "[ . 1 . ]" 1
575 1 102 ARG HA 1 102 ARG HD3 3.755 . 4.055 3.911 2.615 4.195 0.140 11 0 "[ . 1 . ]" 1
576 1 102 ARG HA 1 102 ARG HG3 3.419 . 3.719 2.677 2.067 3.402 . 0 0 "[ . 1 . ]" 1
577 1 102 ARG HD2 1 102 ARG HG2 2.895 . 3.195 2.835 2.514 3.044 . 0 0 "[ . 1 . ]" 1
578 1 95 VAL MG1 1 103 GLY HA3 3.466 . 3.766 2.926 2.461 3.502 . 0 0 "[ . 1 . ]" 1
579 1 95 VAL MG1 1 103 GLY HA2 5.000 . 5.300 4.142 3.596 4.622 . 0 0 "[ . 1 . ]" 1
580 1 98 ARG QG 1 104 SER QB 4.180 . 4.480 2.842 1.992 4.464 . 0 0 "[ . 1 . ]" 1
581 1 105 LEU HA 1 105 LEU MD1 3.333 . 3.633 2.250 1.955 3.632 . 0 0 "[ . 1 . ]" 1
582 1 105 LEU HA 1 105 LEU HG 3.259 . 3.559 2.880 2.154 3.060 . 0 0 "[ . 1 . ]" 1
583 1 94 PRO QB 1 106 LEU MD1 3.039 . 3.339 3.064 2.599 3.372 0.033 1 0 "[ . 1 . ]" 1
584 1 96 ARG QD 1 106 LEU MD1 4.294 . 4.594 3.940 3.223 4.598 0.004 13 0 "[ . 1 . ]" 1
585 1 106 LEU HB2 1 106 LEU MD1 2.824 . 3.124 2.143 1.980 2.267 . 0 0 "[ . 1 . ]" 1
586 1 106 LEU HA 1 106 LEU MD1 3.045 . 3.345 2.916 2.263 3.673 0.328 11 0 "[ . 1 . ]" 1
587 1 106 LEU HA 1 106 LEU HG 2.666 . 2.966 2.189 2.090 2.342 . 0 0 "[ . 1 . ]" 1
588 1 105 LEU MD2 1 108 PRO HA 3.397 . 3.697 2.641 1.808 3.696 . 0 0 "[ . 1 . ]" 1
589 1 105 LEU MD1 1 108 PRO HA 5.500 . 5.800 4.984 3.138 5.681 . 0 0 "[ . 1 . ]" 1
590 1 107 SER HA 1 108 PRO HD2 3.227 . 3.527 2.207 2.089 2.459 . 0 0 "[ . 1 . ]" 1
591 1 108 PRO HA 1 108 PRO HD3 3.998 . 4.298 3.692 3.621 3.814 . 0 0 "[ . 1 . ]" 1
592 1 108 PRO HA 1 108 PRO HD2 3.672 . 3.972 4.064 4.031 4.089 0.117 1 0 "[ . 1 . ]" 1
593 1 109 ARG HA 1 109 ARG HD3 4.499 . 4.799 4.333 3.738 4.801 0.002 18 0 "[ . 1 . ]" 1
594 1 87 THR MG 1 113 TYR HE2 3.885 . 4.185 3.972 3.584 4.190 0.005 3 0 "[ . 1 . ]" 1
595 1 113 TYR HD2 1 114 LEU MD2 5.500 . 5.800 4.766 4.582 5.976 0.176 13 0 "[ . 1 . ]" 1
596 1 113 TYR HE2 1 114 LEU MD2 5.500 . 5.800 5.772 5.086 5.887 0.087 11 0 "[ . 1 . ]" 1
597 1 114 LEU HB3 1 114 LEU MD1 3.368 . 3.668 3.204 3.189 3.219 . 0 0 "[ . 1 . ]" 1
598 1 114 LEU HA 1 114 LEU MD1 3.290 . 3.590 1.972 1.931 2.063 . 0 0 "[ . 1 . ]" 1
599 1 112 SER HA 1 115 LYS QG 4.029 . 4.329 3.824 2.847 4.075 . 0 0 "[ . 1 . ]" 1
600 1 112 SER HA 1 115 LYS QB 2.800 . 3.100 2.139 1.989 2.323 . 0 0 "[ . 1 . ]" 1
601 1 23 LEU MD1 1 117 SER HA 4.197 . 4.497 3.065 2.647 3.477 . 0 0 "[ . 1 . ]" 1
602 1 23 LEU MD1 1 117 SER HB3 4.195 . 4.495 4.448 4.187 4.584 0.089 14 0 "[ . 1 . ]" 1
603 1 87 THR HA 1 117 SER HA 5.500 . 5.800 3.799 3.152 4.522 . 0 0 "[ . 1 . ]" 1
604 1 88 ARG QG 1 117 SER HA 4.423 . 4.723 4.202 3.534 4.727 0.004 7 0 "[ . 1 . ]" 1
605 1 34 VAL QG 1 119 GLY HA2 5.500 . 5.800 2.924 2.411 4.368 . 0 0 "[ . 1 . ]" 1
606 1 12 VAL MG1 1 120 GLY HA3 5.089 . 5.389 4.943 4.151 5.459 0.070 15 0 "[ . 1 . ]" 1
607 1 23 LEU MD1 1 120 GLY HA3 4.765 . 5.065 3.605 2.819 4.119 . 0 0 "[ . 1 . ]" 1
608 1 86 VAL HB 1 120 GLY HA3 4.679 . 4.979 3.618 2.905 4.998 0.019 3 0 "[ . 1 . ]" 1
609 1 95 VAL MG2 1 122 LEU MD2 4.185 . 4.485 3.280 2.619 3.872 . 0 0 "[ . 1 . ]" 1
610 1 95 VAL MG1 1 122 LEU MD2 3.958 . 4.258 3.332 2.797 4.015 . 0 0 "[ . 1 . ]" 1
611 1 122 LEU HA 1 122 LEU MD1 4.089 . 4.389 3.231 2.808 3.840 . 0 0 "[ . 1 . ]" 1
612 1 122 LEU HB2 1 122 LEU MD1 2.976 . 3.276 2.141 2.045 2.245 . 0 0 "[ . 1 . ]" 1
613 1 122 LEU HA 1 122 LEU MD2 4.245 . 4.545 3.173 1.971 3.639 . 0 0 "[ . 1 . ]" 1
614 1 122 LEU HB3 1 122 LEU MD2 3.062 . 3.362 2.193 2.006 2.286 . 0 0 "[ . 1 . ]" 1
615 1 122 LEU HA 1 122 LEU HG 3.607 . 3.907 2.288 2.110 2.780 . 0 0 "[ . 1 . ]" 1
616 1 123 LEU HA 1 123 LEU MD1 3.817 . 4.117 2.560 1.979 3.652 . 0 0 "[ . 1 . ]" 1
617 1 83 LEU MD2 1 124 CYS HA 3.972 . 4.272 2.667 2.122 3.524 . 0 0 "[ . 1 . ]" 1
618 1 83 LEU MD2 1 124 CYS HB3 5.746 . 6.046 3.395 2.124 4.791 . 0 0 "[ . 1 . ]" 1
619 1 83 LEU MD2 1 124 CYS HB2 5.861 . 6.161 3.657 2.768 4.508 . 0 0 "[ . 1 . ]" 1
620 1 27 VAL MG2 1 129 ALA MB 4.106 . 4.406 3.556 2.951 4.449 0.043 15 0 "[ . 1 . ]" 1
621 1 123 LEU MD1 1 129 ALA HA 3.679 . 3.979 2.737 1.902 3.871 . 0 0 "[ . 1 . ]" 1
622 1 123 LEU MD1 1 129 ALA MB 5.500 . 5.800 3.018 2.235 4.251 . 0 0 "[ . 1 . ]" 1
623 1 128 HIS HA 1 129 ALA MB 5.500 . 5.800 3.974 3.856 4.314 . 0 0 "[ . 1 . ]" 1
624 1 83 LEU MD1 1 130 VAL HB 5.500 . 5.800 4.140 2.862 5.364 . 0 0 "[ . 1 . ]" 1
625 1 83 LEU MD1 1 130 VAL MG1 5.500 . 5.800 2.999 1.936 4.070 . 0 0 "[ . 1 . ]" 1
626 1 83 LEU MD2 1 130 VAL MG1 3.459 . 3.759 2.207 1.836 2.645 . 0 0 "[ . 1 . ]" 1
627 1 124 CYS QB 1 130 VAL MG1 5.202 . 5.502 3.732 2.173 5.267 . 0 0 "[ . 1 . ]" 1
628 1 130 VAL HA 1 130 VAL MG1 3.466 . 3.766 2.484 2.228 3.216 . 0 0 "[ . 1 . ]" 1
629 1 130 VAL HA 1 130 VAL MG2 3.301 . 3.601 2.681 2.268 3.212 . 0 0 "[ . 1 . ]" 1
630 1 122 LEU HB2 1 131 GLY HA3 4.987 . 5.287 3.919 3.500 4.326 . 0 0 "[ . 1 . ]" 1
631 1 25 THR HA 1 132 ILE MD 5.500 . 5.800 5.227 4.696 5.802 0.002 17 0 "[ . 1 . ]" 1
632 1 33 THR HA 1 132 ILE MD 4.024 . 4.324 3.616 2.738 4.296 . 0 0 "[ . 1 . ]" 1
633 1 33 THR HA 1 132 ILE MG 6.027 . 6.327 3.955 3.222 4.845 . 0 0 "[ . 1 . ]" 1
634 1 119 GLY HA2 1 132 ILE HG12 4.160 . 4.460 3.949 2.165 4.409 . 0 0 "[ . 1 . ]" 1
635 1 121 PRO HA 1 132 ILE HA 3.684 . 3.984 2.142 1.955 3.630 . 0 0 "[ . 1 . ]" 1
636 1 121 PRO HA 1 132 ILE HG12 3.476 . 3.776 2.917 2.495 3.817 0.041 9 0 "[ . 1 . ]" 1
637 1 121 PRO QD 1 132 ILE HG12 5.500 . 5.800 4.319 3.914 5.763 . 0 0 "[ . 1 . ]" 1
638 1 132 ILE HA 1 132 ILE MD 4.125 . 4.425 3.833 3.744 3.861 . 0 0 "[ . 1 . ]" 1
639 1 132 ILE HA 1 132 ILE HG13 3.474 . 3.774 2.750 2.362 2.914 . 0 0 "[ . 1 . ]" 1
640 1 132 ILE HA 1 132 ILE HG12 3.123 . 3.423 2.677 2.556 2.955 . 0 0 "[ . 1 . ]" 1
641 1 132 ILE HG12 1 132 ILE MG 3.169 . 3.469 2.296 2.222 2.367 . 0 0 "[ . 1 . ]" 1
642 1 85 LEU MD1 1 133 PHE HB3 4.824 . 5.124 3.766 3.248 4.306 . 0 0 "[ . 1 . ]" 1
643 1 85 LEU MD1 1 133 PHE HB2 3.602 . 3.902 2.335 1.918 3.054 . 0 0 "[ . 1 . ]" 1
644 1 85 LEU MD2 1 133 PHE HB2 5.970 . 6.270 3.377 2.597 4.060 . 0 0 "[ . 1 . ]" 1
645 1 85 LEU MD2 1 133 PHE HD2 5.206 . 5.506 4.415 3.840 4.953 . 0 0 "[ . 1 . ]" 1
646 1 117 SER QB 1 133 PHE HE2 4.495 . 4.795 3.551 2.293 4.749 . 0 0 "[ . 1 . ]" 1
647 1 134 ARG HA 1 134 ARG QD 4.162 . 4.462 3.942 2.743 4.205 . 0 0 "[ . 1 . ]" 1
648 1 111 VAL MG1 1 136 ALA MB 4.000 . 4.300 2.872 2.761 3.143 . 0 0 "[ . 1 . ]" 1
649 1 111 VAL MG2 1 136 ALA MB 3.451 . 3.751 2.763 2.357 3.213 . 0 0 "[ . 1 . ]" 1
650 1 137 VAL HA 1 137 VAL MG1 3.223 . 3.523 2.194 2.096 2.365 . 0 0 "[ . 1 . ]" 1
651 1 137 VAL HA 1 137 VAL MG2 3.290 . 3.590 2.485 2.295 2.595 . 0 0 "[ . 1 . ]" 1
652 1 139 THR HA 1 139 THR MG 2.670 . 2.970 2.302 2.171 2.425 . 0 0 "[ . 1 . ]" 1
653 1 140 ARG HA 1 140 ARG HB3 2.850 . 3.150 2.463 2.450 2.499 . 0 0 "[ . 1 . ]" 1
654 1 140 ARG HA 1 140 ARG QD 3.894 . 4.194 3.946 1.971 4.290 0.096 14 0 "[ . 1 . ]" 1
655 1 111 VAL MG2 1 141 GLY HA3 5.565 . 5.865 3.707 3.337 4.174 . 0 0 "[ . 1 . ]" 1
656 1 108 PRO HA 1 142 VAL MG1 4.560 . 4.860 3.797 3.344 4.191 . 0 0 "[ . 1 . ]" 1
657 1 108 PRO QB 1 142 VAL MG1 4.000 . 4.300 2.364 1.986 2.608 . 0 0 "[ . 1 . ]" 1
658 1 110 PRO HA 1 142 VAL HA 3.082 . 3.382 2.126 1.955 2.552 . 0 0 "[ . 1 . ]" 1
659 1 110 PRO HA 1 142 VAL MG2 4.000 . 4.300 3.406 3.147 3.594 . 0 0 "[ . 1 . ]" 1
660 1 142 VAL HA 1 142 VAL MG1 3.210 . 3.510 2.382 2.296 2.440 . 0 0 "[ . 1 . ]" 1
661 1 142 VAL HA 1 142 VAL MG2 2.905 . 3.205 2.351 2.286 2.418 . 0 0 "[ . 1 . ]" 1
662 1 105 LEU MD2 1 143 ALA MB 3.578 . 3.878 3.059 2.316 3.802 . 0 0 "[ . 1 . ]" 1
663 1 114 LEU MD1 1 143 ALA MB 5.500 . 5.800 4.750 4.317 4.929 . 0 0 "[ . 1 . ]" 1
664 1 114 LEU MD2 1 143 ALA MB 3.640 . 3.940 2.934 2.304 3.282 . 0 0 "[ . 1 . ]" 1
665 1 136 ALA MB 1 143 ALA MB 3.505 . 3.805 2.819 2.659 3.362 . 0 0 "[ . 1 . ]" 1
666 1 138 CYS HA 1 143 ALA HA 3.206 . 3.506 2.603 2.382 2.745 . 0 0 "[ . 1 . ]" 1
667 1 138 CYS QB 1 143 ALA HA 2.800 . 3.100 2.263 2.176 2.466 . 0 0 "[ . 1 . ]" 1
668 1 138 CYS HA 1 143 ALA MB 4.945 . 5.245 4.173 3.978 4.299 . 0 0 "[ . 1 . ]" 1
669 1 105 LEU MD2 1 144 LYS HA 4.219 . 4.519 3.607 2.367 4.585 0.066 15 0 "[ . 1 . ]" 1
670 1 105 LEU HG 1 144 LYS HA 5.366 . 5.666 5.078 4.485 5.594 . 0 0 "[ . 1 . ]" 1
671 1 104 SER HA 1 145 ALA HA 3.054 . 3.354 2.106 1.932 2.637 . 0 0 "[ . 1 . ]" 1
672 1 104 SER HB2 1 145 ALA HA 4.154 . 4.454 4.153 3.679 4.671 0.217 15 0 "[ . 1 . ]" 1
673 1 104 SER HA 1 145 ALA MB 3.568 . 3.868 2.816 2.047 3.156 . 0 0 "[ . 1 . ]" 1
674 1 104 SER HB3 1 145 ALA MB 3.914 . 4.214 4.055 3.610 4.313 0.099 10 0 "[ . 1 . ]" 1
675 1 105 LEU MD2 1 145 ALA HA 4.847 . 5.147 4.958 3.975 5.200 0.053 14 0 "[ . 1 . ]" 1
676 1 137 VAL MG1 1 145 ALA MB 3.932 . 4.232 2.899 2.760 3.124 . 0 0 "[ . 1 . ]" 1
677 1 137 VAL MG2 1 145 ALA MB 3.932 . 4.232 2.937 2.417 3.428 . 0 0 "[ . 1 . ]" 1
678 1 95 VAL MG1 1 146 VAL MG2 2.800 . 3.100 2.074 1.813 2.375 . 0 0 "[ . 1 . ]" 1
679 1 136 ALA MB 1 146 VAL MG1 5.192 . 5.492 4.007 3.717 4.154 . 0 0 "[ . 1 . ]" 1
680 1 146 VAL HA 1 146 VAL MG1 3.358 . 3.658 2.276 2.237 2.369 . 0 0 "[ . 1 . ]" 1
681 1 102 ARG HA 1 147 ASP HA 3.571 . 3.871 2.418 1.984 2.958 . 0 0 "[ . 1 . ]" 1
682 1 102 ARG HD2 1 147 ASP HA 5.500 . 5.800 4.885 3.164 5.802 0.002 9 0 "[ . 1 . ]" 1
683 1 102 ARG QD 1 147 ASP HA 5.500 . 5.800 4.226 2.574 5.026 . 0 0 "[ . 1 . ]" 1
684 1 101 SER HA 1 150 PRO HG3 4.590 . 4.890 4.638 4.031 4.898 0.008 3 0 "[ . 1 . ]" 1
685 1 131 GLY HA3 1 150 PRO HA 4.071 . 4.371 2.920 2.469 3.370 . 0 0 "[ . 1 . ]" 1
686 1 131 GLY HA2 1 150 PRO HA 4.983 . 5.283 3.292 2.748 3.847 . 0 0 "[ . 1 . ]" 1
687 1 131 GLY HA3 1 150 PRO QB 5.500 . 5.800 4.691 4.273 5.136 . 0 0 "[ . 1 . ]" 1
688 1 75 PRO HA 1 151 VAL QG 4.063 . 4.363 2.944 2.124 3.503 . 0 0 "[ . 1 . ]" 1
689 1 151 VAL HA 1 151 VAL HB 2.814 . 3.114 3.040 3.038 3.041 . 0 0 "[ . 1 . ]" 1
690 1 151 VAL HA 1 151 VAL QG 3.034 . 3.334 2.100 2.041 2.152 . 0 0 "[ . 1 . ]" 1
691 1 152 GLU HA 1 152 GLU HB3 2.694 . 2.994 2.782 2.425 3.034 0.040 1 0 "[ . 1 . ]" 1
692 1 152 GLU HA 1 152 GLU HG3 3.531 . 3.831 3.009 2.361 3.862 0.031 5 0 "[ . 1 . ]" 1
693 1 152 GLU HB3 1 152 GLU HG3 2.973 . 3.273 2.903 2.493 3.032 . 0 0 "[ . 1 . ]" 1
694 1 152 GLU HA 1 152 GLU HG2 3.758 . 4.058 3.000 2.125 3.880 . 0 0 "[ . 1 . ]" 1
695 1 152 GLU HB2 1 152 GLU HG2 2.614 . 2.914 2.898 2.497 3.029 0.115 14 0 "[ . 1 . ]" 1
696 1 150 PRO QB 1 153 SER HB3 5.500 . 5.800 4.749 3.768 5.402 . 0 0 "[ . 1 . ]" 1
697 1 153 SER HA 1 156 THR HB 4.730 . 5.030 3.797 3.170 4.693 . 0 0 "[ . 1 . ]" 1
698 1 153 SER HA 1 156 THR MG 5.860 . 6.160 4.362 2.517 5.219 . 0 0 "[ . 1 . ]" 1
699 1 156 THR HA 1 159 ARG QB 3.260 . 3.560 3.157 2.480 3.561 0.001 7 0 "[ . 1 . ]" 1
700 1 157 THR HA 1 157 THR MG 2.970 . 3.270 2.354 2.247 2.437 . 0 0 "[ . 1 . ]" 1
701 1 157 THR HB 1 158 MET QG 5.140 . 5.440 4.719 3.052 5.529 0.089 14 0 "[ . 1 . ]" 1
702 1 157 THR HA 1 160 ALA MB 3.860 . 4.160 2.877 2.324 3.249 . 0 0 "[ . 1 . ]" 1
703 1 157 THR HB 1 158 MET QB 6.000 . 6.300 4.169 3.860 4.753 . 0 0 "[ . 1 . ]" 1
704 1 54 TYR HD1 1 158 MET HA 4.000 . 4.300 3.865 3.054 4.311 0.011 7 0 "[ . 1 . ]" 1
705 1 158 MET HA 1 158 MET ME 5.600 . 5.900 4.169 3.628 4.597 . 0 0 "[ . 1 . ]" 1
706 1 158 MET HA 1 158 MET QG 3.450 . 3.750 2.287 2.145 2.450 . 0 0 "[ . 1 . ]" 1
707 1 158 MET QB 1 159 ARG HA 5.500 . 5.800 3.978 3.882 4.087 . 0 0 "[ . 1 . ]" 1
708 1 17 THR MG 1 22 PHE HE1 2.800 . 3.100 2.816 1.909 3.111 0.011 1 0 "[ . 1 . ]" 1
709 1 12 VAL MG1 1 86 VAL HB 4.000 . 4.300 3.942 3.034 4.315 0.015 8 0 "[ . 1 . ]" 1
710 1 12 VAL MG1 1 23 LEU MD1 4.000 . 4.300 3.394 2.689 4.332 0.032 18 0 "[ . 1 . ]" 1
711 1 12 VAL MG2 1 120 GLY QA 4.000 . 4.300 3.631 2.453 4.388 0.088 1 0 "[ . 1 . ]" 1
712 1 17 THR HA 1 18 ALA MB 4.360 . 4.660 4.177 4.073 4.303 . 0 0 "[ . 1 . ]" 1
713 1 17 THR HA 1 18 ALA HA 4.000 . 4.300 4.371 4.356 4.391 0.091 14 0 "[ . 1 . ]" 1
714 1 18 ALA MB 1 19 THR MG 2.865 . 3.165 2.704 2.330 3.016 . 0 0 "[ . 1 . ]" 1
715 1 42 THR MG 1 49 PRO HA 5.000 . 5.300 4.791 3.202 5.394 0.094 10 0 "[ . 1 . ]" 1
716 1 42 THR MG 1 49 PRO QB 5.000 . 5.300 3.733 2.032 5.362 0.062 6 0 "[ . 1 . ]" 1
717 1 22 PHE HZ 1 38 ALA MB 2.800 . 3.100 2.801 2.357 3.109 0.009 1 0 "[ . 1 . ]" 1
718 1 38 ALA MB 1 64 TRP HZ2 4.000 . 4.300 3.506 2.693 4.274 . 0 0 "[ . 1 . ]" 1
719 1 55 THR MG 1 62 VAL MG1 4.000 . 4.300 2.910 1.806 4.351 0.051 1 0 "[ . 1 . ]" 1
720 1 35 TYR HA 1 62 VAL MG2 2.800 . 3.300 2.084 1.816 3.342 0.042 1 0 "[ . 1 . ]" 1
721 1 35 TYR QB 1 62 VAL MG2 2.800 . 3.300 2.374 1.819 3.590 0.290 1 0 "[ . 1 . ]" 1
722 1 35 TYR HD1 1 62 VAL MG2 2.800 . 3.300 2.475 1.839 3.486 0.186 11 0 "[ . 1 . ]" 1
723 1 65 GLN HA 1 66 ALA HA 5.000 . 5.300 4.495 4.455 4.566 . 0 0 "[ . 1 . ]" 1
724 1 66 ALA MB 1 70 ALA MB 4.000 . 4.300 3.571 2.806 4.421 0.121 2 0 "[ . 1 . ]" 1
725 1 68 PRO HA 1 69 GLY HA2 5.000 . 5.300 4.630 4.503 4.685 . 0 0 "[ . 1 . ]" 1
726 1 32 TRP HB3 1 132 ILE QG 5.000 . 5.300 5.012 4.381 5.337 0.037 14 0 "[ . 1 . ]" 1
727 1 54 TYR HD1 1 157 THR MG 4.000 . 4.300 3.166 2.569 3.980 . 0 0 "[ . 1 . ]" 1
728 1 32 TRP HZ3 1 157 THR MG 4.000 . 4.300 2.992 1.918 4.317 0.017 6 0 "[ . 1 . ]" 1
729 1 32 TRP HH2 1 157 THR MG 5.000 . 5.300 2.903 2.278 3.529 . 0 0 "[ . 1 . ]" 1
730 1 50 ILE HA 1 51 THR HA 5.000 . 5.300 4.475 4.409 4.587 . 0 0 "[ . 1 . ]" 1
731 1 118 SER HA 1 119 GLY HA3 5.843 . 6.143 4.513 4.480 4.552 . 0 0 "[ . 1 . ]" 1
732 1 95 VAL MG2 1 105 LEU HA 4.000 . 4.300 3.214 2.696 3.846 . 0 0 "[ . 1 . ]" 1
733 1 84 TYR HA 1 95 VAL MG2 5.000 2.800 5.300 3.640 3.103 4.059 . 0 0 "[ . 1 . ]" 1
734 1 102 ARG HA 1 103 GLY QA 5.500 . 5.800 3.983 3.972 3.998 . 0 0 "[ . 1 . ]" 1
735 1 103 GLY QA 1 104 SER QB 5.500 . 5.800 3.983 3.677 4.275 . 0 0 "[ . 1 . ]" 1
736 1 107 SER QB 1 109 ARG QG 5.500 . 5.800 3.268 2.714 3.957 . 0 0 "[ . 1 . ]" 1
737 1 108 PRO QB 1 144 LYS QG 5.500 . 5.800 2.380 1.937 3.200 . 0 0 "[ . 1 . ]" 1
738 1 109 ARG QB 1 114 LEU MD1 5.500 . 5.800 4.529 3.814 5.002 . 0 0 "[ . 1 . ]" 1
739 1 109 ARG QB 1 114 LEU MD2 5.500 . 5.800 4.234 3.379 5.075 . 0 0 "[ . 1 . ]" 1
740 1 109 ARG QB 1 143 ALA MB 5.500 . 5.800 3.480 3.164 4.193 . 0 0 "[ . 1 . ]" 1
741 1 105 LEU MD1 1 109 ARG QD 5.500 . 5.800 4.613 3.816 5.602 . 0 0 "[ . 1 . ]" 1
742 1 105 LEU MD2 1 109 ARG QD 5.500 . 5.800 3.565 2.229 5.558 . 0 0 "[ . 1 . ]" 1
743 1 155 GLU HA 1 156 THR HA 5.500 . 5.800 4.842 4.776 4.902 . 0 0 "[ . 1 . ]" 1
744 1 149 VAL HB 1 154 MET QG 5.500 . 5.800 4.868 4.249 5.446 . 0 0 "[ . 1 . ]" 1
745 1 159 ARG QB 1 160 ALA HA 5.500 . 5.800 4.055 3.943 4.259 . 0 0 "[ . 1 . ]" 1
746 1 159 ARG HA 1 160 ALA MB 5.500 . 5.800 4.972 4.953 4.985 . 0 0 "[ . 1 . ]" 1
747 1 129 ALA HA 1 130 VAL MG1 5.500 . 5.800 4.369 3.349 5.469 . 0 0 "[ . 1 . ]" 1
748 1 129 ALA HA 1 130 VAL HA 5.500 . 5.800 4.483 4.463 4.495 . 0 0 "[ . 1 . ]" 1
749 1 129 ALA MB 1 130 VAL HA 5.500 . 5.800 4.203 4.118 4.345 . 0 0 "[ . 1 . ]" 1
750 1 122 LEU QB 1 130 VAL HB 5.500 . 5.800 3.437 2.234 4.702 . 0 0 "[ . 1 . ]" 1
751 1 122 LEU QB 1 130 VAL MG1 5.500 . 5.800 3.212 1.797 4.220 0.003 8 0 "[ . 1 . ]" 1
752 1 122 LEU QB 1 130 VAL MG2 5.500 . 5.800 2.874 1.779 4.007 0.021 16 0 "[ . 1 . ]" 1
753 1 130 VAL MG2 1 148 PHE HE1 5.500 . 5.800 4.332 2.244 5.777 . 0 0 "[ . 1 . ]" 1
754 1 131 GLY QA 1 132 ILE QG 5.500 . 5.800 3.389 2.990 5.143 . 0 0 "[ . 1 . ]" 1
755 1 132 ILE QG 1 151 VAL QG 5.500 . 5.800 4.202 3.021 5.619 . 0 0 "[ . 1 . ]" 1
756 1 150 PRO QB 1 151 VAL HB 5.500 . 5.800 4.364 4.001 4.652 . 0 0 "[ . 1 . ]" 1
757 1 149 VAL QG 1 150 PRO QD 5.500 . 5.800 2.199 1.833 3.107 . 0 0 "[ . 1 . ]" 1
758 1 35 TYR HD2 1 57 VAL MG1 4.000 . 4.300 3.884 3.811 3.976 . 0 0 "[ . 1 . ]" 1
759 1 35 TYR HE2 1 57 VAL MG1 2.800 . 3.100 3.142 3.041 3.200 0.100 6 0 "[ . 1 . ]" 1
760 1 35 TYR QE 1 57 VAL MG2 4.000 . 4.300 1.932 1.848 2.160 . 0 0 "[ . 1 . ]" 1
761 1 114 LEU QB 1 136 ALA MB 4.000 . 4.300 3.436 3.260 3.644 . 0 0 "[ . 1 . ]" 1
762 1 140 ARG HA 1 141 GLY HA3 5.500 . 5.800 4.458 4.433 4.492 . 0 0 "[ . 1 . ]" 1
763 1 140 ARG QB 1 142 VAL HB 5.500 . 5.800 4.862 3.750 5.308 . 0 0 "[ . 1 . ]" 1
764 1 111 VAL MG2 1 142 VAL HA 5.500 . 5.800 4.033 3.769 4.278 . 0 0 "[ . 1 . ]" 1
765 1 142 VAL MG1 1 144 LYS QG 4.000 . 4.300 2.488 2.249 2.805 . 0 0 "[ . 1 . ]" 1
766 1 108 PRO QB 1 142 VAL MG2 5.500 . 5.800 4.443 4.020 4.840 . 0 0 "[ . 1 . ]" 1
767 1 144 LYS QB 1 145 ALA HA 5.500 . 5.800 4.273 4.199 4.431 . 0 0 "[ . 1 . ]" 1
768 1 144 LYS QB 1 145 ALA MB 4.000 . 4.300 3.263 3.116 3.407 . 0 0 "[ . 1 . ]" 1
769 1 105 LEU MD1 1 145 ALA HA 5.500 . 5.800 5.072 3.518 5.519 . 0 0 "[ . 1 . ]" 1
770 1 105 LEU QB 1 145 ALA HA 4.000 . 4.300 3.238 2.476 3.512 . 0 0 "[ . 1 . ]" 1
771 1 105 LEU QB 1 146 VAL MG1 2.800 . 3.100 2.263 1.913 3.004 . 0 0 "[ . 1 . ]" 1
772 1 105 LEU MD1 1 146 VAL MG1 2.800 . 3.100 2.687 1.788 3.116 0.016 10 0 "[ . 1 . ]" 1
773 1 113 TYR HD2 1 114 LEU MD1 4.000 . 4.300 3.634 3.246 4.296 . 0 0 "[ . 1 . ]" 1
774 1 112 SER QB 1 113 TYR HA 5.500 . 5.800 4.158 3.866 4.309 . 0 0 "[ . 1 . ]" 1
775 1 20 GLN QB 1 22 PHE HD1 4.000 . 4.300 3.334 2.993 3.596 . 0 0 "[ . 1 . ]" 1
776 1 20 GLN QB 1 22 PHE HE1 4.000 . 4.300 4.072 3.174 4.319 0.019 14 0 "[ . 1 . ]" 1
777 1 111 VAL MG1 1 115 LYS QB . . 3.100 3.174 3.116 3.201 0.101 16 0 "[ . 1 . ]" 1
778 1 111 VAL MG1 1 115 LYS QD 4.000 . 4.300 2.959 2.115 3.738 . 0 0 "[ . 1 . ]" 1
779 1 34 VAL QG 1 36 HIS HE2 4.000 . 4.300 2.673 2.340 3.143 . 0 0 "[ . 1 . ]" 1
780 1 36 HIS HE1 1 135 ALA HA 4.000 . 4.300 3.809 3.468 4.014 . 0 0 "[ . 1 . ]" 1
781 1 22 PHE HA 1 116 GLY HA2 4.000 . 4.300 4.286 3.900 4.436 0.136 15 0 "[ . 1 . ]" 1
782 1 17 THR MG 1 18 ALA HA 5.500 . 5.500 4.428 4.296 5.646 0.146 10 0 "[ . 1 . ]" 1
783 1 17 THR H 1 21 SER HA 5.500 . 5.500 2.388 2.097 2.801 . 0 0 "[ . 1 . ]" 1
784 1 33 THR HA 1 34 VAL QG 5.500 . 5.500 3.626 3.373 4.445 . 0 0 "[ . 1 . ]" 1
785 1 34 VAL QG 1 35 TYR HA 5.500 . 5.500 3.990 3.860 4.161 . 0 0 "[ . 1 . ]" 1
786 1 34 VAL QG 1 35 TYR HB3 5.500 . 5.500 3.775 3.588 4.015 . 0 0 "[ . 1 . ]" 1
787 1 35 TYR HA 1 36 HIS H 5.500 . 5.500 3.598 3.578 3.608 . 0 0 "[ . 1 . ]" 1
788 1 35 TYR HA 1 38 ALA MB 5.500 . 5.500 3.462 2.392 4.485 . 0 0 "[ . 1 . ]" 1
789 1 38 ALA HA 1 41 LYS QB 5.500 . 5.500 4.833 2.998 5.533 0.033 10 0 "[ . 1 . ]" 1
790 1 40 SER HA 1 41 LYS HA 5.500 . 5.500 4.718 4.572 4.948 . 0 0 "[ . 1 . ]" 1
791 1 35 TYR HA 1 55 THR MG 5.500 . 5.500 5.209 4.627 5.528 0.028 13 0 "[ . 1 . ]" 1
792 1 35 TYR HD1 1 55 THR MG 5.500 . 5.500 2.776 2.108 3.726 . 0 0 "[ . 1 . ]" 1
793 1 35 TYR HD1 1 56 ASN HB3 5.500 . 5.500 5.509 4.979 5.575 0.075 10 0 "[ . 1 . ]" 1
794 1 55 THR H 1 56 ASN HA 5.500 . 5.500 5.012 4.940 5.077 . 0 0 "[ . 1 . ]" 1
795 1 55 THR HA 1 56 ASN H 5.500 . 5.500 2.244 2.212 2.295 . 0 0 "[ . 1 . ]" 1
796 1 35 TYR HE2 1 57 VAL MG2 5.500 . 5.500 1.943 1.853 2.201 . 0 0 "[ . 1 . ]" 1
797 1 56 ASN HA 1 57 VAL MG2 5.500 . 5.500 3.878 3.720 4.058 . 0 0 "[ . 1 . ]" 1
798 1 56 ASN HA 1 58 ASP H 5.500 . 5.500 3.822 3.604 3.946 . 0 0 "[ . 1 . ]" 1
799 1 57 VAL HB 1 58 ASP HA 5.500 . 5.500 4.438 4.357 4.501 . 0 0 "[ . 1 . ]" 1
800 1 57 VAL MG1 1 58 ASP HA 5.500 . 5.500 3.622 3.355 3.756 . 0 0 "[ . 1 . ]" 1
801 1 56 ASN HB3 1 59 GLN HA 5.500 . 5.500 5.167 4.725 5.435 . 0 0 "[ . 1 . ]" 1
802 1 56 ASN HA 1 59 GLN HB3 5.500 . 5.500 5.345 4.825 5.607 0.107 1 0 "[ . 1 . ]" 1
803 1 56 ASN HB3 1 59 GLN HG2 5.500 . 5.500 4.648 4.286 5.165 . 0 0 "[ . 1 . ]" 1
804 1 58 ASP HA 1 59 GLN HA 5.500 . 5.500 4.691 4.639 4.740 . 0 0 "[ . 1 . ]" 1
805 1 58 ASP HA 1 59 GLN H 5.500 . 5.500 3.560 3.536 3.578 . 0 0 "[ . 1 . ]" 1
806 1 35 TYR HA 1 60 ASP HA 5.500 . 5.500 4.994 4.849 5.108 . 0 0 "[ . 1 . ]" 1
807 1 35 TYR HB3 1 60 ASP HA 5.500 . 5.500 1.992 1.914 2.095 . 0 0 "[ . 1 . ]" 1
808 1 35 TYR HB2 1 60 ASP HA 5.500 . 5.500 3.294 2.863 3.528 . 0 0 "[ . 1 . ]" 1
809 1 36 HIS HB3 1 60 ASP HA 5.500 . 5.500 4.362 4.007 4.648 . 0 0 "[ . 1 . ]" 1
810 1 59 GLN HA 1 60 ASP QB 5.500 . 5.500 3.954 3.913 3.982 . 0 0 "[ . 1 . ]" 1
811 1 59 GLN HB2 1 61 LEU MD1 5.500 . 5.500 4.861 3.309 5.584 0.084 1 0 "[ . 1 . ]" 1
812 1 33 THR MG 1 62 VAL MG1 5.500 . 5.500 3.468 1.776 5.636 0.136 11 0 "[ . 1 . ]" 1
813 1 35 TYR HA 1 62 VAL MG1 5.500 . 5.500 3.369 1.846 4.203 . 0 0 "[ . 1 . ]" 1
814 1 55 THR MG 1 62 VAL MG2 5.500 . 5.500 3.554 1.944 4.986 . 0 0 "[ . 1 . ]" 1
815 1 105 LEU HB2 1 108 PRO HA 5.500 . 5.500 5.203 4.744 5.547 0.047 9 0 "[ . 1 . ]" 1
816 1 93 ILE MD 1 109 ARG HD3 5.500 . 5.500 4.320 3.313 5.438 . 0 0 "[ . 1 . ]" 1
817 1 93 ILE MD 1 109 ARG HD2 5.500 . 5.500 4.191 2.512 5.512 0.012 7 0 "[ . 1 . ]" 1
818 1 109 ARG HA 1 110 PRO HA 5.500 . 5.500 4.408 4.398 4.418 . 0 0 "[ . 1 . ]" 1
819 1 110 PRO HA 1 111 VAL HA 5.500 . 5.500 4.439 4.431 4.448 . 0 0 "[ . 1 . ]" 1
820 1 110 PRO HB2 1 111 VAL H 5.500 . 5.500 3.106 3.088 3.123 . 0 0 "[ . 1 . ]" 1
821 1 111 VAL MG1 1 112 SER HA 5.500 . 5.500 3.661 3.570 3.758 . 0 0 "[ . 1 . ]" 1
822 1 112 SER H 1 113 TYR HA 5.500 . 5.500 5.444 5.270 5.505 0.005 3 0 "[ . 1 . ]" 1
823 1 112 SER HA 1 113 TYR H 5.500 . 5.500 3.574 3.516 3.595 . 0 0 "[ . 1 . ]" 1
824 1 85 LEU MD2 1 114 LEU MD2 5.500 . 5.500 3.636 2.690 5.234 . 0 0 "[ . 1 . ]" 1
825 1 111 VAL MG2 1 114 LEU HB2 5.500 . 5.500 5.508 5.377 5.584 0.084 13 0 "[ . 1 . ]" 1
826 1 111 VAL HA 1 114 LEU MD2 5.500 . 5.500 3.995 3.584 4.594 . 0 0 "[ . 1 . ]" 1
827 1 113 TYR HA 1 114 LEU HA 5.500 . 5.500 4.710 4.654 4.759 . 0 0 "[ . 1 . ]" 1
828 1 111 VAL MG1 1 115 LYS HG3 5.500 . 5.500 2.839 1.957 3.163 . 0 0 "[ . 1 . ]" 1
829 1 112 SER HA 1 115 LYS HB3 5.500 . 5.500 3.281 2.997 3.548 . 0 0 "[ . 1 . ]" 1
830 1 114 LEU HA 1 115 LYS H 5.500 . 5.500 3.257 3.171 3.500 . 0 0 "[ . 1 . ]" 1
831 1 114 LEU MD1 1 115 LYS H 5.500 . 5.500 4.590 4.453 4.716 . 0 0 "[ . 1 . ]" 1
832 1 115 LYS HA 1 116 GLY H 5.500 . 5.500 2.099 2.011 2.243 . 0 0 "[ . 1 . ]" 1
833 1 114 LEU MD1 1 117 SER HB3 5.500 . 5.500 2.967 2.579 3.626 . 0 0 "[ . 1 . ]" 1
834 1 34 VAL QG 1 118 SER HA 5.500 . 5.500 3.256 2.620 3.861 . 0 0 "[ . 1 . ]" 1
835 1 34 VAL HB 1 119 GLY HA2 5.500 . 5.500 5.059 4.104 5.648 0.148 13 0 "[ . 1 . ]" 1
836 1 118 SER HA 1 119 GLY HA2 5.500 . 5.500 4.563 4.514 4.627 . 0 0 "[ . 1 . ]" 1
837 1 61 LEU MD1 1 132 ILE HB 5.500 . 5.500 4.550 3.243 5.520 0.020 6 0 "[ . 1 . ]" 1
838 1 119 GLY HA3 1 132 ILE HG12 5.500 . 5.500 5.286 3.727 5.611 0.111 11 0 "[ . 1 . ]" 1
839 1 114 LEU MD1 1 133 PHE HD1 5.500 . 5.500 5.527 5.495 5.552 0.052 1 0 "[ . 1 . ]" 1
840 1 114 LEU MD2 1 133 PHE HD2 5.500 . 5.500 4.517 4.052 5.318 . 0 0 "[ . 1 . ]" 1
841 1 118 SER HB2 1 133 PHE HB3 5.500 . 5.500 5.541 5.509 5.615 0.115 14 0 "[ . 1 . ]" 1
842 1 119 GLY HA2 1 133 PHE HB3 5.500 . 5.500 4.738 4.141 5.127 . 0 0 "[ . 1 . ]" 1
843 1 133 PHE HA 1 134 ARG HB2 5.500 . 5.500 4.316 3.902 4.509 . 0 0 "[ . 1 . ]" 1
844 1 34 VAL QG 1 135 ALA MB 5.500 . 5.500 4.830 4.422 5.031 . 0 0 "[ . 1 . ]" 1
845 1 134 ARG HB2 1 135 ALA MB 5.500 . 5.500 4.596 3.977 4.730 . 0 0 "[ . 1 . ]" 1
846 1 134 ARG HD2 1 135 ALA MB 5.500 . 5.500 3.583 2.010 4.891 . 0 0 "[ . 1 . ]" 1
847 1 134 ARG HG2 1 135 ALA MB 5.500 . 5.500 3.018 2.302 5.418 . 0 0 "[ . 1 . ]" 1
848 1 111 VAL HB 1 136 ALA MB 5.500 . 5.500 4.975 4.711 5.306 . 0 0 "[ . 1 . ]" 1
849 1 114 LEU MD2 1 136 ALA HA 5.500 . 5.500 3.570 3.407 3.807 . 0 0 "[ . 1 . ]" 1
850 1 114 LEU MD2 1 136 ALA MB 2.800 . 2.800 2.319 1.993 2.707 . 0 0 "[ . 1 . ]" 1
851 1 136 ALA HA 1 137 VAL HB 5.500 . 5.500 4.777 4.525 4.930 . 0 0 "[ . 1 . ]" 1
852 1 111 VAL MG1 1 138 CYS HB3 5.500 . 5.500 4.763 4.546 4.962 . 0 0 "[ . 1 . ]" 1
853 1 137 VAL HB 1 138 CYS HB3 5.500 . 5.500 5.470 5.401 5.553 0.053 11 0 "[ . 1 . ]" 1
854 1 139 THR HA 1 140 ARG HA 5.500 . 5.500 4.618 4.606 4.632 . 0 0 "[ . 1 . ]" 1
855 1 139 THR HB 1 140 ARG HB3 5.500 . 5.500 4.196 3.734 5.498 . 0 0 "[ . 1 . ]" 1
856 1 139 THR MG 1 140 ARG HB2 5.500 . 5.500 4.707 4.205 5.503 0.003 17 0 "[ . 1 . ]" 1
857 1 139 THR MG 1 140 ARG HG2 5.500 . 5.500 3.533 2.252 5.012 . 0 0 "[ . 1 . ]" 1
858 1 111 VAL MG1 1 141 GLY HA3 5.500 . 5.500 5.552 5.522 5.626 0.126 1 0 "[ . 1 . ]" 1
859 1 111 VAL MG1 1 141 GLY HA2 5.500 . 5.500 4.453 4.358 4.596 . 0 0 "[ . 1 . ]" 1
860 1 140 ARG HA 1 141 GLY HA2 5.500 . 5.500 4.726 4.670 4.802 . 0 0 "[ . 1 . ]" 1
861 1 108 PRO HB2 1 142 VAL HB 5.500 . 5.500 5.086 4.625 5.435 . 0 0 "[ . 1 . ]" 1
862 1 108 PRO HB3 1 142 VAL MG1 5.500 . 5.500 3.314 2.817 3.703 . 0 0 "[ . 1 . ]" 1
863 1 108 PRO HB2 1 142 VAL MG1 5.500 . 5.500 2.422 2.030 2.678 . 0 0 "[ . 1 . ]" 1
864 1 108 PRO HG2 1 142 VAL MG1 5.500 . 5.500 3.995 3.612 4.349 . 0 0 "[ . 1 . ]" 1
865 1 109 ARG HA 1 142 VAL MG1 5.500 . 5.500 3.972 3.425 4.327 . 0 0 "[ . 1 . ]" 1
866 1 140 ARG HG2 1 142 VAL H 5.500 . 5.500 3.948 2.870 5.533 0.033 3 0 "[ . 1 . ]" 1
867 1 109 ARG HB2 1 143 ALA MB 5.500 . 5.500 3.602 3.245 4.470 . 0 0 "[ . 1 . ]" 1
868 1 109 ARG H 1 143 ALA MB 5.500 . 5.500 3.007 2.446 3.317 . 0 0 "[ . 1 . ]" 1
869 1 111 VAL HA 1 143 ALA MB 5.500 . 5.500 3.166 2.876 3.542 . 0 0 "[ . 1 . ]" 1
870 1 111 VAL HB 1 143 ALA MB 5.500 . 5.500 5.002 4.676 5.390 . 0 0 "[ . 1 . ]" 1
871 1 111 VAL MG1 1 143 ALA MB 5.500 . 5.500 4.350 3.992 4.844 . 0 0 "[ . 1 . ]" 1
872 1 136 ALA MB 1 143 ALA HA 5.500 . 5.500 4.420 4.237 4.798 . 0 0 "[ . 1 . ]" 1
873 1 136 ALA HA 1 143 ALA MB 5.500 . 5.500 4.109 3.833 4.481 . 0 0 "[ . 1 . ]" 1
874 1 138 CYS HB3 1 143 ALA HA 5.500 . 5.500 2.300 2.205 2.529 . 0 0 "[ . 1 . ]" 1
875 1 138 CYS HB2 1 143 ALA HA 5.500 . 5.500 3.369 3.233 3.488 . 0 0 "[ . 1 . ]" 1
876 1 142 VAL HA 1 143 ALA MB 5.500 . 5.500 3.943 3.902 3.972 . 0 0 "[ . 1 . ]" 1
877 1 108 PRO HB2 1 144 LYS HA 5.500 . 5.500 4.281 3.650 4.900 . 0 0 "[ . 1 . ]" 1
878 1 108 PRO QB 1 144 LYS QB 5.500 . 5.500 3.950 3.389 4.566 . 0 0 "[ . 1 . ]" 1
879 1 108 PRO HA 1 144 LYS HG2 5.500 . 5.500 3.962 3.148 4.873 . 0 0 "[ . 1 . ]" 1
880 1 108 PRO HB3 1 144 LYS HG2 5.500 . 5.500 2.484 1.999 3.438 . 0 0 "[ . 1 . ]" 1
881 1 108 PRO HB2 1 144 LYS HG2 5.500 . 5.500 3.424 2.698 4.293 . 0 0 "[ . 1 . ]" 1
882 1 108 PRO HA 1 144 LYS H 5.500 . 5.500 5.200 4.972 5.518 0.018 16 0 "[ . 1 . ]" 1
883 1 142 VAL HB 1 144 LYS HG3 5.500 . 5.500 3.805 3.644 3.947 . 0 0 "[ . 1 . ]" 1
884 1 142 VAL MG1 1 144 LYS HG3 5.500 . 5.500 2.645 2.327 3.042 . 0 0 "[ . 1 . ]" 1
885 1 143 ALA HA 1 144 LYS HA 5.500 . 5.500 4.495 4.488 4.502 . 0 0 "[ . 1 . ]" 1
886 1 98 ARG HG3 1 145 ALA MB 5.500 . 5.500 5.399 5.003 5.523 0.023 11 0 "[ . 1 . ]" 1
887 1 104 SER HB3 1 145 ALA HA 5.500 . 5.500 4.324 3.312 4.954 . 0 0 "[ . 1 . ]" 1
888 1 105 LEU HB2 1 145 ALA HA 5.500 . 5.500 3.549 2.648 3.929 . 0 0 "[ . 1 . ]" 1
889 1 105 LEU HB2 1 145 ALA MB 5.500 . 5.500 4.969 4.126 5.276 . 0 0 "[ . 1 . ]" 1
890 1 105 LEU H 1 145 ALA MB 5.500 . 5.500 3.898 3.427 4.221 . 0 0 "[ . 1 . ]" 1
891 1 137 VAL HB 1 145 ALA MB 2.800 . 2.800 2.508 2.112 2.895 0.095 10 0 "[ . 1 . ]" 1
892 1 137 VAL H 1 145 ALA MB 5.500 . 5.500 4.329 3.924 4.602 . 0 0 "[ . 1 . ]" 1
893 1 144 LYS HB2 1 145 ALA MB 5.500 . 5.500 3.464 3.295 3.652 . 0 0 "[ . 1 . ]" 1
894 1 85 LEU HB2 1 146 VAL MG2 5.500 . 5.500 4.786 4.009 5.497 . 0 0 "[ . 1 . ]" 1
895 1 85 LEU MD2 1 146 VAL MG2 5.500 . 5.500 4.586 3.398 5.530 0.030 14 0 "[ . 1 . ]" 1
896 1 95 VAL HB 1 146 VAL MG2 5.500 . 5.500 4.204 3.620 4.600 . 0 0 "[ . 1 . ]" 1
897 1 95 VAL MG2 1 146 VAL MG2 5.500 . 5.500 2.923 2.501 3.348 . 0 0 "[ . 1 . ]" 1
898 1 103 GLY HA3 1 146 VAL MG2 4.000 . 4.000 3.148 2.791 3.644 . 0 0 "[ . 1 . ]" 1
899 1 105 LEU HB2 1 146 VAL MG1 5.500 . 5.500 2.291 1.928 3.085 . 0 0 "[ . 1 . ]" 1
900 1 122 LEU MD2 1 146 VAL MG2 5.500 . 5.500 3.662 3.196 4.204 . 0 0 "[ . 1 . ]" 1
901 1 136 ALA MB 1 146 VAL HB 5.500 . 5.500 5.404 5.166 5.517 0.017 4 0 "[ . 1 . ]" 1
902 1 137 VAL MG2 1 146 VAL HA 5.500 . 5.500 2.647 2.214 3.219 . 0 0 "[ . 1 . ]" 1
903 1 137 VAL H 1 146 VAL HA 5.500 . 5.500 3.075 2.868 3.328 . 0 0 "[ . 1 . ]" 1
904 1 137 VAL MG2 1 146 VAL MG1 5.500 . 5.500 4.029 3.721 4.540 . 0 0 "[ . 1 . ]" 1
905 1 145 ALA MB 1 146 VAL HA 5.500 . 5.500 3.994 3.896 4.105 . 0 0 "[ . 1 . ]" 1
906 1 145 ALA HA 1 146 VAL MG2 5.500 . 5.500 3.446 3.345 3.654 . 0 0 "[ . 1 . ]" 1
907 1 102 ARG HB2 1 147 ASP HB2 5.500 . 5.500 5.426 4.811 5.548 0.048 3 0 "[ . 1 . ]" 1
908 1 135 ALA MB 1 147 ASP HB3 5.500 . 5.500 3.514 2.944 4.421 . 0 0 "[ . 1 . ]" 1
909 1 135 ALA MB 1 147 ASP HB2 5.500 . 5.500 3.973 3.118 5.000 . 0 0 "[ . 1 . ]" 1
910 1 136 ALA HA 1 147 ASP H 5.500 . 5.500 3.771 3.518 4.055 . 0 0 "[ . 1 . ]" 1
911 1 146 VAL MG2 1 147 ASP HA 5.500 . 5.500 4.009 3.905 4.171 . 0 0 "[ . 1 . ]" 1
912 1 101 SER QB 1 148 PHE HA 5.500 . 5.500 5.295 4.907 5.533 0.033 14 0 "[ . 1 . ]" 1
913 1 122 LEU HB2 1 148 PHE HB3 5.500 . 5.500 5.479 5.015 5.554 0.054 14 0 "[ . 1 . ]" 1
914 1 122 LEU MD2 1 148 PHE HB3 5.500 . 5.500 3.568 2.494 4.444 . 0 0 "[ . 1 . ]" 1
915 1 122 LEU MD1 1 148 PHE HB2 5.500 . 5.500 2.771 2.274 3.521 . 0 0 "[ . 1 . ]" 1
916 1 133 PHE HA 1 148 PHE HB2 5.500 . 5.500 3.297 2.816 3.787 . 0 0 "[ . 1 . ]" 1
917 1 134 ARG HD2 1 148 PHE HA 5.500 . 5.500 4.837 4.113 5.545 0.045 1 0 "[ . 1 . ]" 1
918 1 146 VAL MG2 1 148 PHE HD2 4.000 . 4.000 2.951 2.371 3.330 . 0 0 "[ . 1 . ]" 1
919 1 59 GLN HB3 1 149 VAL QG 5.500 . 5.500 4.809 4.152 5.212 . 0 0 "[ . 1 . ]" 1
920 1 59 GLN HG2 1 149 VAL QG 5.500 . 5.500 3.633 2.706 4.843 . 0 0 "[ . 1 . ]" 1
921 1 60 ASP QB 1 149 VAL QG 5.500 . 5.500 3.564 2.877 4.597 . 0 0 "[ . 1 . ]" 1
922 1 61 LEU HB2 1 149 VAL QG 5.500 . 5.500 4.000 3.411 5.213 . 0 0 "[ . 1 . ]" 1
923 1 61 LEU MD1 1 149 VAL QG 5.500 . 5.500 2.069 1.706 3.080 0.094 16 0 "[ . 1 . ]" 1
924 1 61 LEU HB3 1 149 VAL QG 5.500 . 5.500 4.578 3.940 5.194 . 0 0 "[ . 1 . ]" 1
925 1 134 ARG HB2 1 149 VAL QG 5.500 . 5.500 2.785 1.998 3.802 . 0 0 "[ . 1 . ]" 1
926 1 148 PHE HA 1 149 VAL QG 5.500 . 5.500 3.355 3.161 3.827 . 0 0 "[ . 1 . ]" 1
927 1 148 PHE HD1 1 149 VAL QG 5.500 . 5.500 4.456 3.998 4.723 . 0 0 "[ . 1 . ]" 1
928 1 148 PHE HA 1 149 VAL H 5.500 . 5.500 2.395 2.337 2.429 . 0 0 "[ . 1 . ]" 1
929 1 148 PHE HD1 1 150 PRO HA 5.500 . 5.500 3.601 3.391 3.987 . 0 0 "[ . 1 . ]" 1
930 1 149 VAL QG 1 150 PRO HD2 5.500 . 5.500 2.258 1.849 3.333 . 0 0 "[ . 1 . ]" 1
931 1 27 VAL MG1 1 151 VAL HA 5.500 . 5.500 4.529 3.660 5.079 . 0 0 "[ . 1 . ]" 1
932 1 27 VAL MG1 1 151 VAL HB 5.500 . 5.500 4.850 4.317 5.518 0.018 4 0 "[ . 1 . ]" 1
933 1 27 VAL HB 1 151 VAL QG 5.500 . 5.500 4.070 2.344 4.583 . 0 0 "[ . 1 . ]" 1
934 1 27 VAL MG1 1 151 VAL QG 5.500 . 5.500 2.329 1.894 2.731 . 0 0 "[ . 1 . ]" 1
935 1 130 VAL HB 1 151 VAL QG 5.500 . 5.500 4.817 4.174 5.244 . 0 0 "[ . 1 . ]" 1
936 1 150 PRO HB2 1 151 VAL HB 5.500 . 5.500 4.531 4.110 4.868 . 0 0 "[ . 1 . ]" 1
937 1 150 PRO HA 1 151 VAL QG 5.500 . 5.500 3.459 3.295 3.632 . 0 0 "[ . 1 . ]" 1
938 1 151 VAL HB 1 152 GLU HA 5.500 . 5.500 4.305 4.151 4.405 . 0 0 "[ . 1 . ]" 1
939 1 151 VAL QG 1 152 GLU HA 5.500 . 5.500 3.647 3.524 3.805 . 0 0 "[ . 1 . ]" 1
940 1 151 VAL HB 1 152 GLU HB3 5.500 . 5.500 5.248 4.535 5.722 0.222 11 0 "[ . 1 . ]" 1
941 1 149 VAL QG 1 153 SER HB3 5.500 . 5.500 3.131 2.065 3.963 . 0 0 "[ . 1 . ]" 1
942 1 149 VAL QG 1 153 SER HB2 5.500 . 5.500 3.282 2.475 3.969 . 0 0 "[ . 1 . ]" 1
943 1 152 GLU HB2 1 153 SER HA 5.500 . 5.500 5.111 4.337 5.645 0.145 16 0 "[ . 1 . ]" 1
944 1 151 VAL QG 1 154 MET HB3 5.500 . 5.500 4.232 3.850 4.639 . 0 0 "[ . 1 . ]" 1
945 1 151 VAL QG 1 154 MET HB2 5.500 . 5.500 3.176 2.831 3.519 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 129
_Distance_constraint_stats_list.Viol_count 297
_Distance_constraint_stats_list.Viol_total 2050.154
_Distance_constraint_stats_list.Viol_max 1.957
_Distance_constraint_stats_list.Viol_rms 0.2167
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0491
_Distance_constraint_stats_list.Viol_average_violations_only 0.3835
_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 20 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 34 VAL 13.812 0.966 13 16 "[-** *** ****+*****]"
1 35 TYR 0.781 0.206 15 0 "[ . 1 . ]"
1 36 HIS 37.866 1.957 12 18 [*******-***+******]
1 37 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 38 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 39 GLY 0.414 0.094 1 0 "[ . 1 . ]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 56 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 57 VAL 0.104 0.025 11 0 "[ . 1 . ]"
1 58 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 59 GLN 0.104 0.025 11 0 "[ . 1 . ]"
1 60 ASP 52.402 1.957 12 18 [*******-***+******]
1 62 VAL 0.357 0.094 1 0 "[ . 1 . ]"
1 76 CYS 9.558 1.130 11 8 "[ * * ** *+ - . * ]"
1 78 CYS 10.209 0.930 12 6 "[ * . **+ . *-]"
1 88 ARG 0.237 0.044 1 0 "[ . 1 . ]"
1 101 SER 0.000 0.000 17 0 "[ . 1 . ]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 108 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 109 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 110 PRO 0.036 0.036 13 0 "[ . 1 . ]"
1 111 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 112 SER 0.200 0.200 13 0 "[ . 1 . ]"
1 113 TYR 0.200 0.200 13 0 "[ . 1 . ]"
1 114 LEU 0.036 0.036 13 0 "[ . 1 . ]"
1 115 LYS 0.010 0.010 6 0 "[ . 1 . ]"
1 116 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 117 SER 0.247 0.044 1 0 "[ . 1 . ]"
1 118 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 122 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 124 CYS 11.142 0.938 11 8 "[ * * *+** .*- ]"
1 126 SER 15.714 1.653 12 12 "[** *** *-*+ ** *]"
1 128 HIS 11.503 1.124 14 13 "[** ***-**1 * +*** ]"
1 132 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 133 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 134 ARG 0.226 0.053 16 0 "[ . 1 . ]"
1 135 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 136 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 137 VAL 1.425 0.146 16 0 "[ . 1 . ]"
1 138 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 139 THR 0.009 0.009 3 0 "[ . 1 . ]"
1 140 ARG 0.009 0.009 3 0 "[ . 1 . ]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 142 VAL 0.173 0.069 13 0 "[ . 1 . ]"
1 143 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 144 LYS 0.173 0.069 13 0 "[ . 1 . ]"
1 145 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 146 VAL 0.575 0.091 11 0 "[ . 1 . ]"
1 147 ASP 0.850 0.146 16 0 "[ . 1 . ]"
1 148 PHE 0.226 0.053 16 0 "[ . 1 . ]"
1 149 VAL 2.694 1.208 1 1 "[+ . 1 . ]"
1 151 VAL 2.694 1.208 1 1 "[+ . 1 . ]"
1 152 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 153 SER 0.000 0.000 . 0 "[ . 1 . ]"
3 1 ZN 53.810 1.653 12 18 [***********+-*****]
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 GLN HG3 1 21 SER H 5.500 . 5.500 4.609 3.622 4.908 . 0 0 "[ . 1 . ]" 2
2 1 33 THR MG 1 34 VAL H 5.500 . 5.500 3.325 3.111 3.847 . 0 0 "[ . 1 . ]" 2
3 1 34 VAL HA 1 35 TYR H 5.500 . 5.500 2.271 2.253 2.298 . 0 0 "[ . 1 . ]" 2
4 1 34 VAL HB 1 35 TYR H 5.500 . 5.500 4.147 3.964 4.467 . 0 0 "[ . 1 . ]" 2
5 1 34 VAL QG 1 35 TYR H 4.000 . 4.000 2.300 2.099 2.684 . 0 0 "[ . 1 . ]" 2
6 1 34 VAL HB 1 36 HIS H 5.500 . 5.500 4.780 4.420 5.383 . 0 0 "[ . 1 . ]" 2
7 1 34 VAL QG 1 36 HIS H 2.800 . 2.800 2.361 2.191 2.599 . 0 0 "[ . 1 . ]" 2
8 1 35 TYR HD2 1 36 HIS H 5.500 . 5.500 2.801 2.579 3.045 . 0 0 "[ . 1 . ]" 2
9 1 36 HIS HA 1 37 GLY H 5.500 . 5.500 3.476 3.436 3.504 . 0 0 "[ . 1 . ]" 2
10 1 36 HIS HB2 1 37 GLY H 5.500 . 5.500 4.199 4.128 4.264 . 0 0 "[ . 1 . ]" 2
11 1 35 TYR HA 1 38 ALA H 5.500 . 5.500 3.783 3.197 4.698 . 0 0 "[ . 1 . ]" 2
12 1 35 TYR HA 1 39 GLY H 5.500 . 5.500 2.625 2.032 3.162 . 0 0 "[ . 1 . ]" 2
13 1 35 TYR HB2 1 39 GLY H 5.500 . 5.500 4.850 4.383 5.255 . 0 0 "[ . 1 . ]" 2
14 1 35 TYR HD1 1 39 GLY H 5.500 . 5.500 4.687 4.077 5.557 0.057 14 0 "[ . 1 . ]" 2
15 1 38 ALA MB 1 39 GLY H 5.500 . 5.500 2.369 1.974 2.868 . 0 0 "[ . 1 . ]" 2
16 1 55 THR HB 1 56 ASN H 5.500 . 5.500 3.994 3.080 4.343 . 0 0 "[ . 1 . ]" 2
17 1 55 THR MG 1 56 ASN H 5.500 . 5.500 3.083 2.286 4.111 . 0 0 "[ . 1 . ]" 2
18 1 55 THR H 1 56 ASN H 5.500 . 5.500 4.251 4.138 4.437 . 0 0 "[ . 1 . ]" 2
19 1 57 VAL HA 1 59 GLN H 5.500 . 5.500 4.337 4.077 4.560 . 0 0 "[ . 1 . ]" 2
20 1 57 VAL HB 1 59 GLN H 5.500 . 5.500 5.157 5.044 5.334 . 0 0 "[ . 1 . ]" 2
21 1 57 VAL MG1 1 59 GLN H 5.500 . 5.500 4.962 4.774 5.152 . 0 0 "[ . 1 . ]" 2
22 1 57 VAL MG2 1 59 GLN H 5.500 . 5.500 5.435 5.292 5.525 0.025 11 0 "[ . 1 . ]" 2
23 1 58 ASP H 1 59 GLN HB2 5.500 . 5.500 4.970 4.595 5.241 . 0 0 "[ . 1 . ]" 2
24 1 58 ASP HB3 1 59 GLN H 5.500 . 5.500 2.762 2.319 3.371 . 0 0 "[ . 1 . ]" 2
25 1 58 ASP H 1 59 GLN H 5.500 . 5.500 2.792 2.709 2.843 . 0 0 "[ . 1 . ]" 2
26 1 35 TYR H 1 60 ASP HA 5.500 . 5.500 3.431 3.311 3.613 . 0 0 "[ . 1 . ]" 2
27 1 35 TYR HD2 1 60 ASP H 5.500 . 5.500 5.056 4.748 5.449 . 0 0 "[ . 1 . ]" 2
28 1 35 TYR H 1 60 ASP H 5.500 . 5.500 5.489 5.288 5.706 0.206 15 0 "[ . 1 . ]" 2
29 1 57 VAL MG1 1 60 ASP H 5.500 . 5.500 4.240 4.133 4.442 . 0 0 "[ . 1 . ]" 2
30 1 57 VAL MG2 1 60 ASP H 5.500 . 5.500 4.844 4.733 4.962 . 0 0 "[ . 1 . ]" 2
31 1 59 GLN H 1 60 ASP HA 5.500 . 5.500 4.645 4.470 4.786 . 0 0 "[ . 1 . ]" 2
32 1 59 GLN HA 1 60 ASP H 5.500 . 5.500 3.442 3.409 3.465 . 0 0 "[ . 1 . ]" 2
33 1 59 GLN HB3 1 60 ASP H 5.500 . 5.500 3.281 3.146 3.711 . 0 0 "[ . 1 . ]" 2
34 1 59 GLN HB2 1 60 ASP H 5.500 . 5.500 3.986 3.561 4.260 . 0 0 "[ . 1 . ]" 2
35 1 59 GLN H 1 60 ASP H 5.500 . 5.500 2.330 2.175 2.461 . 0 0 "[ . 1 . ]" 2
36 1 33 THR H 1 62 VAL MG1 5.500 . 5.500 4.749 2.686 5.380 . 0 0 "[ . 1 . ]" 2
37 1 39 GLY H 1 62 VAL HB 5.500 . 5.500 5.420 4.780 5.594 0.094 1 0 "[ . 1 . ]" 2
38 1 56 ASN H 1 62 VAL HA 5.500 . 5.500 4.253 3.905 4.492 . 0 0 "[ . 1 . ]" 2
39 1 56 ASN H 1 62 VAL MG1 5.500 . 5.500 3.734 2.241 4.828 . 0 0 "[ . 1 . ]" 2
40 1 108 PRO HB2 1 109 ARG H 5.500 . 5.500 3.817 3.432 3.959 . 0 0 "[ . 1 . ]" 2
41 1 108 PRO HG2 1 109 ARG H 5.500 . 5.500 5.084 4.963 5.168 . 0 0 "[ . 1 . ]" 2
42 1 110 PRO HA 1 111 VAL H 5.500 . 5.500 2.313 2.302 2.329 . 0 0 "[ . 1 . ]" 2
43 1 110 PRO HB3 1 111 VAL H 5.500 . 5.500 3.773 3.757 3.801 . 0 0 "[ . 1 . ]" 2
44 1 110 PRO HG2 1 111 VAL H 5.500 . 5.500 4.754 4.742 4.765 . 0 0 "[ . 1 . ]" 2
45 1 110 PRO HB3 1 112 SER H 5.500 . 5.500 4.175 4.102 4.281 . 0 0 "[ . 1 . ]" 2
46 1 111 VAL HA 1 112 SER H 5.500 . 5.500 3.533 3.518 3.554 . 0 0 "[ . 1 . ]" 2
47 1 111 VAL MG2 1 112 SER H 5.500 . 5.500 3.976 3.884 4.101 . 0 0 "[ . 1 . ]" 2
48 1 110 PRO HG2 1 113 TYR H 5.500 . 5.500 2.426 2.284 2.576 . 0 0 "[ . 1 . ]" 2
49 1 111 VAL HA 1 113 TYR H 5.500 . 5.500 4.363 4.003 4.587 . 0 0 "[ . 1 . ]" 2
50 1 111 VAL MG1 1 113 TYR H 5.500 . 5.500 5.027 4.812 5.160 . 0 0 "[ . 1 . ]" 2
51 1 112 SER H 1 113 TYR HB3 5.500 . 5.500 4.881 4.269 4.980 . 0 0 "[ . 1 . ]" 2
52 1 112 SER H 1 113 TYR HB2 5.500 . 5.500 5.153 5.055 5.700 0.200 13 0 "[ . 1 . ]" 2
53 1 112 SER HB2 1 113 TYR H 5.500 . 5.500 3.707 2.541 4.005 . 0 0 "[ . 1 . ]" 2
54 1 112 SER H 1 113 TYR H 5.500 . 5.500 2.791 2.607 2.872 . 0 0 "[ . 1 . ]" 2
55 1 110 PRO HB2 1 114 LEU H 5.500 . 5.500 5.258 4.945 5.536 0.036 13 0 "[ . 1 . ]" 2
56 1 110 PRO HG2 1 114 LEU H 5.500 . 5.500 4.574 4.185 4.938 . 0 0 "[ . 1 . ]" 2
57 1 111 VAL MG2 1 114 LEU H 5.500 . 5.500 5.177 5.121 5.237 . 0 0 "[ . 1 . ]" 2
58 1 113 TYR H 1 114 LEU H 2.800 . 2.800 2.635 2.569 2.737 . 0 0 "[ . 1 . ]" 2
59 1 112 SER HA 1 115 LYS H 4.000 . 4.000 3.538 3.208 3.752 . 0 0 "[ . 1 . ]" 2
60 1 114 LEU HG 1 115 LYS H 5.500 . 5.500 4.603 4.085 4.829 . 0 0 "[ . 1 . ]" 2
61 1 88 ARG HB3 1 117 SER H 5.500 . 5.500 5.382 4.934 5.544 0.044 1 0 "[ . 1 . ]" 2
62 1 114 LEU MD1 1 117 SER H 5.500 . 5.500 4.452 4.049 5.052 . 0 0 "[ . 1 . ]" 2
63 1 115 LYS H 1 117 SER H 5.500 . 5.500 5.195 4.898 5.510 0.010 6 0 "[ . 1 . ]" 2
64 1 116 GLY H 1 117 SER H 4.000 . 4.000 2.236 2.107 2.459 . 0 0 "[ . 1 . ]" 2
65 1 117 SER HA 1 118 SER H 5.500 . 5.500 3.186 3.126 3.298 . 0 0 "[ . 1 . ]" 2
66 1 117 SER HB2 1 118 SER H 5.500 . 5.500 3.957 3.631 4.442 . 0 0 "[ . 1 . ]" 2
67 1 117 SER H 1 118 SER H 4.000 . 4.000 2.452 2.182 2.637 . 0 0 "[ . 1 . ]" 2
68 1 118 SER HA 1 119 GLY H 5.500 . 5.500 2.267 2.215 2.354 . 0 0 "[ . 1 . ]" 2
69 1 118 SER H 1 133 PHE HD2 5.500 . 5.500 3.868 3.537 4.369 . 0 0 "[ . 1 . ]" 2
70 1 122 LEU MD1 1 133 PHE H 5.500 . 5.500 3.047 2.472 4.255 . 0 0 "[ . 1 . ]" 2
71 1 134 ARG HA 1 135 ALA H 5.500 . 5.500 3.582 3.562 3.593 . 0 0 "[ . 1 . ]" 2
72 1 134 ARG HB2 1 135 ALA H 5.500 . 5.500 3.399 2.332 3.539 . 0 0 "[ . 1 . ]" 2
73 1 134 ARG HG2 1 135 ALA H 5.500 . 5.500 3.231 2.654 4.531 . 0 0 "[ . 1 . ]" 2
74 1 111 VAL MG1 1 136 ALA H 5.500 . 5.500 4.737 4.616 4.913 . 0 0 "[ . 1 . ]" 2
75 1 114 LEU MD2 1 136 ALA H 5.500 . 5.500 4.960 4.472 5.215 . 0 0 "[ . 1 . ]" 2
76 1 135 ALA HA 1 136 ALA H 5.500 . 5.500 2.240 2.187 2.315 . 0 0 "[ . 1 . ]" 2
77 1 135 ALA MB 1 136 ALA H 5.500 . 5.500 2.924 2.832 2.984 . 0 0 "[ . 1 . ]" 2
78 1 137 VAL HB 1 138 CYS H 5.500 . 5.500 4.241 4.119 4.393 . 0 0 "[ . 1 . ]" 2
79 1 137 VAL MG1 1 138 CYS H 5.500 . 5.500 2.927 2.820 3.138 . 0 0 "[ . 1 . ]" 2
80 1 137 VAL MG2 1 138 CYS H 5.500 . 5.500 4.320 4.180 4.405 . 0 0 "[ . 1 . ]" 2
81 1 139 THR H 1 140 ARG HG2 5.500 . 5.500 4.486 3.986 5.509 0.009 3 0 "[ . 1 . ]" 2
82 1 111 VAL H 1 141 GLY HA2 5.500 . 5.500 3.564 3.487 3.772 . 0 0 "[ . 1 . ]" 2
83 1 140 ARG QB 1 141 GLY H 5.500 . 5.500 3.998 3.735 4.070 . 0 0 "[ . 1 . ]" 2
84 1 109 ARG H 1 142 VAL MG1 5.500 . 5.500 3.851 3.245 4.452 . 0 0 "[ . 1 . ]" 2
85 1 111 VAL H 1 142 VAL HA 5.500 . 5.500 3.562 3.343 3.853 . 0 0 "[ . 1 . ]" 2
86 1 140 ARG HB2 1 142 VAL H 5.500 . 5.500 4.437 3.315 4.886 . 0 0 "[ . 1 . ]" 2
87 1 141 GLY H 1 142 VAL MG2 5.500 . 5.500 4.349 4.231 4.487 . 0 0 "[ . 1 . ]" 2
88 1 141 GLY HA3 1 142 VAL H 5.500 . 5.500 3.216 3.210 3.229 . 0 0 "[ . 1 . ]" 2
89 1 110 PRO HA 1 143 ALA H 5.500 . 5.500 2.913 2.351 3.515 . 0 0 "[ . 1 . ]" 2
90 1 111 VAL HA 1 143 ALA H 5.500 . 5.500 4.588 4.234 4.960 . 0 0 "[ . 1 . ]" 2
91 1 111 VAL H 1 143 ALA H 5.500 . 5.500 3.763 3.447 4.196 . 0 0 "[ . 1 . ]" 2
92 1 137 VAL H 1 143 ALA MB 5.500 . 5.500 3.548 3.123 3.884 . 0 0 "[ . 1 . ]" 2
93 1 142 VAL HB 1 143 ALA H 5.500 . 5.500 4.326 4.256 4.350 . 0 0 "[ . 1 . ]" 2
94 1 142 VAL H 1 144 LYS HG3 5.500 . 5.500 5.480 5.348 5.569 0.069 13 0 "[ . 1 . ]" 2
95 1 142 VAL MG1 1 144 LYS H 5.500 . 5.500 4.272 4.159 4.474 . 0 0 "[ . 1 . ]" 2
96 1 143 ALA H 1 144 LYS HG3 5.500 . 5.500 4.678 4.495 4.823 . 0 0 "[ . 1 . ]" 2
97 1 105 LEU HB2 1 145 ALA H 5.500 . 5.500 4.824 3.397 5.265 . 0 0 "[ . 1 . ]" 2
98 1 105 LEU HB2 1 146 VAL H 5.500 . 5.500 4.480 3.899 4.729 . 0 0 "[ . 1 . ]" 2
99 1 137 VAL HB 1 146 VAL H 5.500 . 5.500 4.754 4.599 4.841 . 0 0 "[ . 1 . ]" 2
100 1 137 VAL MG1 1 146 VAL H 5.500 . 5.500 5.527 5.416 5.591 0.091 11 0 "[ . 1 . ]" 2
101 1 135 ALA H 1 147 ASP HB3 5.500 . 5.500 3.378 2.588 4.937 . 0 0 "[ . 1 . ]" 2
102 1 135 ALA H 1 147 ASP HB2 5.500 . 5.500 4.358 3.545 5.212 . 0 0 "[ . 1 . ]" 2
103 1 135 ALA MB 1 147 ASP H 5.500 . 5.500 4.302 4.048 4.715 . 0 0 "[ . 1 . ]" 2
104 1 137 VAL HB 1 147 ASP H 5.500 . 5.500 5.246 4.826 5.517 0.017 18 0 "[ . 1 . ]" 2
105 1 137 VAL MG1 1 147 ASP H 5.500 . 5.500 5.545 5.501 5.646 0.146 16 0 "[ . 1 . ]" 2
106 1 101 SER HA 1 148 PHE H 5.500 . 5.500 4.169 3.481 4.972 . 0 0 "[ . 1 . ]" 2
107 1 101 SER HB3 1 148 PHE H 5.500 . 5.500 4.535 3.654 5.500 0.000 17 0 "[ . 1 . ]" 2
108 1 134 ARG HB2 1 148 PHE H 5.500 . 5.500 5.354 4.246 5.553 0.053 16 0 "[ . 1 . ]" 2
109 1 147 ASP HA 1 148 PHE H 5.500 . 5.500 2.227 2.206 2.273 . 0 0 "[ . 1 . ]" 2
110 1 147 ASP HB2 1 148 PHE H 5.500 . 5.500 4.339 3.221 4.564 . 0 0 "[ . 1 . ]" 2
111 1 122 LEU MD1 1 149 VAL H 5.500 . 5.500 4.811 4.290 5.439 . 0 0 "[ . 1 . ]" 2
112 1 132 ILE MG 1 149 VAL H 5.500 . 5.500 4.519 2.564 5.140 . 0 0 "[ . 1 . ]" 2
113 1 134 ARG HB2 1 149 VAL H 5.500 . 5.500 3.423 2.898 4.164 . 0 0 "[ . 1 . ]" 2
114 1 148 PHE HD1 1 149 VAL H 5.500 . 5.500 3.546 3.439 3.714 . 0 0 "[ . 1 . ]" 2
115 1 149 VAL QG 1 153 SER H 5.500 . 5.500 4.296 3.791 4.905 . 0 0 "[ . 1 . ]" 2
116 1 151 VAL HA 1 153 SER H 5.500 . 5.500 4.139 3.897 4.313 . 0 0 "[ . 1 . ]" 2
117 1 152 GLU HG2 1 153 SER H 5.500 . 5.500 4.106 2.059 5.182 . 0 0 "[ . 1 . ]" 2
118 1 36 HIS ND1 1 60 ASP OD1 2.800 2.600 2.800 3.205 2.853 3.693 0.893 7 6 "[** *. +- 1 * ]" 2
119 1 36 HIS N 1 60 ASP OD2 3.000 2.700 3.000 4.699 4.241 4.957 1.957 12 18 [***-*******+******] 2
120 1 34 VAL QG 1 60 ASP QB 2.800 . 3.100 3.867 3.521 4.066 0.966 13 16 "[-** *** ****+*****]" 2
121 1 149 VAL HB 1 151 VAL QG 5.500 . 5.800 5.784 5.161 7.008 1.208 1 1 "[+ . 1 . ]" 2
122 1 76 CYS SG 3 1 ZN ZN 2.320 2.260 2.380 2.389 1.130 3.027 1.130 11 8 "[ * * ** *+ - . * ]" 2
123 1 78 CYS SG 3 1 ZN ZN 2.320 2.260 2.380 2.832 2.388 3.310 0.930 12 6 "[ * . **+ . *-]" 2
124 1 124 CYS SG 3 1 ZN ZN 2.320 2.260 2.380 2.446 1.574 3.318 0.938 11 8 "[ * * *+** .*- ]" 2
125 1 128 HIS CB 3 1 ZN ZN 4.260 4.200 4.320 3.661 3.076 5.162 1.124 14 13 "[** ***-**1 * +*** ]" 2
126 1 126 SER CB 3 1 ZN ZN 4.230 4.170 4.290 3.489 2.559 5.943 1.653 12 12 "[** *** *-*+ ** *]" 2
127 1 76 CYS SG 1 78 CYS SG 3.250 3.190 3.310 3.369 3.348 3.460 0.150 18 0 "[ . 1 . ]" 2
128 1 76 CYS SG 1 124 CYS SG 3.430 3.370 3.490 3.398 3.357 3.512 0.022 13 0 "[ . 1 . ]" 2
129 1 78 CYS SG 1 124 CYS SG 3.900 3.840 3.960 4.017 3.975 4.061 0.101 18 0 "[ . 1 . ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 98
_Distance_constraint_stats_list.Viol_count 409
_Distance_constraint_stats_list.Viol_total 413.965
_Distance_constraint_stats_list.Viol_max 0.245
_Distance_constraint_stats_list.Viol_rms 0.0317
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0130
_Distance_constraint_stats_list.Viol_average_violations_only 0.0562
_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 11 GLU 0.961 0.118 4 0 "[ . 1 . ]"
1 13 GLN 0.463 0.117 3 0 "[ . 1 . ]"
1 15 VAL 0.670 0.102 8 0 "[ . 1 . ]"
1 22 PHE 0.670 0.102 8 0 "[ . 1 . ]"
1 23 LEU 0.588 0.165 8 0 "[ . 1 . ]"
1 24 ALA 0.463 0.117 3 0 "[ . 1 . ]"
1 25 THR 0.301 0.094 11 0 "[ . 1 . ]"
1 26 CYS 1.302 0.118 4 0 "[ . 1 . ]"
1 27 VAL 1.422 0.145 12 0 "[ . 1 . ]"
1 29 GLY 0.675 0.159 2 0 "[ . 1 . ]"
1 30 VAL 1.422 0.145 12 0 "[ . 1 . ]"
1 31 CYS 0.597 0.084 7 0 "[ . 1 . ]"
1 32 TRP 0.301 0.094 11 0 "[ . 1 . ]"
1 33 THR 0.940 0.179 15 0 "[ . 1 . ]"
1 35 TYR 0.072 0.045 15 0 "[ . 1 . ]"
1 54 TYR 1.285 0.190 8 0 "[ . 1 . ]"
1 56 ASN 2.396 0.216 8 0 "[ . 1 . ]"
1 60 ASP 0.072 0.045 15 0 "[ . 1 . ]"
1 61 LEU 2.396 0.216 8 0 "[ . 1 . ]"
1 62 VAL 0.940 0.179 15 0 "[ . 1 . ]"
1 63 GLY 1.285 0.190 8 0 "[ . 1 . ]"
1 64 TRP 0.597 0.084 7 0 "[ . 1 . ]"
1 66 ALA 0.675 0.159 2 0 "[ . 1 . ]"
1 73 LEU 0.341 0.091 2 0 "[ . 1 . ]"
1 74 THR 0.162 0.110 12 0 "[ . 1 . ]"
1 76 CYS 0.078 0.047 12 0 "[ . 1 . ]"
1 83 LEU 0.838 0.086 8 0 "[ . 1 . ]"
1 84 TYR 0.417 0.075 18 0 "[ . 1 . ]"
1 85 LEU 0.431 0.174 8 0 "[ . 1 . ]"
1 86 VAL 1.099 0.116 17 0 "[ . 1 . ]"
1 87 THR 0.969 0.211 9 0 "[ . 1 . ]"
1 91 ASP 0.969 0.211 9 0 "[ . 1 . ]"
1 93 ILE 0.431 0.174 8 0 "[ . 1 . ]"
1 95 VAL 0.838 0.086 8 0 "[ . 1 . ]"
1 96 ARG 0.042 0.031 1 0 "[ . 1 . ]"
1 101 SER 0.060 0.024 2 0 "[ . 1 . ]"
1 103 GLY 0.224 0.059 13 0 "[ . 1 . ]"
1 104 SER 0.042 0.031 1 0 "[ . 1 . ]"
1 111 VAL 0.001 0.001 16 0 "[ . 1 . ]"
1 114 LEU 0.001 0.001 16 0 "[ . 1 . ]"
1 117 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 118 SER 0.588 0.165 8 0 "[ . 1 . ]"
1 119 GLY 0.579 0.098 18 0 "[ . 1 . ]"
1 120 GLY 0.250 0.145 18 0 "[ . 1 . ]"
1 121 PRO 1.099 0.116 17 0 "[ . 1 . ]"
1 122 LEU 5.280 0.245 8 0 "[ . 1 . ]"
1 123 LEU 0.417 0.075 18 0 "[ . 1 . ]"
1 124 CYS 0.181 0.081 12 0 "[ . 1 . ]"
1 127 GLY 0.095 0.081 12 0 "[ . 1 . ]"
1 128 HIS 0.086 0.037 3 0 "[ . 1 . ]"
1 129 ALA 0.241 0.110 12 0 "[ . 1 . ]"
1 130 VAL 1.521 0.142 12 0 "[ . 1 . ]"
1 131 GLY 3.899 0.245 8 0 "[ . 1 . ]"
1 132 ILE 0.329 0.063 4 0 "[ . 1 . ]"
1 133 PHE 0.829 0.145 18 0 "[ . 1 . ]"
1 134 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 135 ALA 1.206 0.123 7 0 "[ . 1 . ]"
1 137 VAL 0.000 0.000 . 0 "[ . 1 . ]"
1 144 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 146 VAL 0.224 0.059 13 0 "[ . 1 . ]"
1 147 ASP 1.206 0.123 7 0 "[ . 1 . ]"
1 148 PHE 0.060 0.024 2 0 "[ . 1 . ]"
1 149 VAL 0.329 0.063 4 0 "[ . 1 . ]"
1 151 VAL 0.139 0.056 11 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 15 VAL O 1 22 PHE H 2.300 . 2.800 2.738 2.241 2.882 0.082 17 0 "[ . 1 . ]" 3
2 1 15 VAL O 1 22 PHE N 3.000 2.700 3.600 3.339 2.949 3.543 . 0 0 "[ . 1 . ]" 3
3 1 15 VAL H 1 22 PHE O 2.300 . 2.800 2.539 1.898 2.825 0.102 8 0 "[ . 1 . ]" 3
4 1 15 VAL N 1 22 PHE O 3.000 2.700 3.600 3.373 2.864 3.645 0.045 10 0 "[ . 1 . ]" 3
5 1 23 LEU H 1 118 SER O 2.300 . 2.800 2.011 1.835 2.230 0.165 8 0 "[ . 1 . ]" 3
6 1 23 LEU N 1 118 SER O 3.000 2.700 3.600 2.923 2.726 3.200 . 0 0 "[ . 1 . ]" 3
7 1 13 GLN O 1 24 ALA H 2.300 . 2.800 2.550 2.012 2.833 0.033 18 0 "[ . 1 . ]" 3
8 1 13 GLN O 1 24 ALA N 3.000 2.700 3.600 3.473 2.985 3.717 0.117 3 0 "[ . 1 . ]" 3
9 1 13 GLN H 1 24 ALA O 2.300 . 2.800 2.359 2.013 2.830 0.030 18 0 "[ . 1 . ]" 3
10 1 13 GLN N 1 24 ALA O 3.000 2.700 3.600 3.245 2.910 3.603 0.003 18 0 "[ . 1 . ]" 3
11 1 25 THR H 1 32 TRP O 2.300 . 2.800 2.415 1.975 2.681 0.025 12 0 "[ . 1 . ]" 3
12 1 25 THR N 1 32 TRP O 3.000 2.700 3.600 3.369 2.793 3.654 0.054 4 0 "[ . 1 . ]" 3
13 1 25 THR O 1 32 TRP H 2.300 . 2.800 2.132 1.906 2.418 0.094 11 0 "[ . 1 . ]" 3
14 1 25 THR O 1 32 TRP N 3.000 2.700 3.600 3.022 2.800 3.308 . 0 0 "[ . 1 . ]" 3
15 1 11 GLU O 1 26 CYS H 2.300 . 2.800 2.704 2.427 2.821 0.021 18 0 "[ . 1 . ]" 3
16 1 11 GLU O 1 26 CYS N 3.000 2.700 3.600 3.639 3.397 3.718 0.118 4 0 "[ . 1 . ]" 3
17 1 27 VAL O 1 30 VAL H 2.300 . 2.800 1.953 1.855 2.017 0.145 12 0 "[ . 1 . ]" 3
18 1 27 VAL O 1 30 VAL N 3.000 2.700 3.600 2.790 2.682 2.923 0.018 12 0 "[ . 1 . ]" 3
19 1 27 VAL H 1 30 VAL O 2.300 . 2.800 2.036 1.892 2.465 0.108 11 0 "[ . 1 . ]" 3
20 1 27 VAL N 1 30 VAL O 3.000 2.700 3.600 2.974 2.811 3.377 . 0 0 "[ . 1 . ]" 3
21 1 31 CYS H 1 64 TRP O 2.300 . 2.800 2.648 2.252 2.844 0.044 9 0 "[ . 1 . ]" 3
22 1 31 CYS N 1 64 TRP O 3.000 2.700 3.600 3.513 3.126 3.684 0.084 7 0 "[ . 1 . ]" 3
23 1 31 CYS O 1 64 TRP H 2.300 . 2.800 2.487 2.021 2.785 . 0 0 "[ . 1 . ]" 3
24 1 31 CYS O 1 64 TRP N 3.000 2.700 3.600 3.304 2.836 3.600 0.000 12 0 "[ . 1 . ]" 3
25 1 33 THR H 1 62 VAL O 2.300 . 2.800 2.017 1.821 2.281 0.179 15 0 "[ . 1 . ]" 3
26 1 33 THR N 1 62 VAL O 3.000 2.700 3.600 2.951 2.773 3.215 . 0 0 "[ . 1 . ]" 3
27 1 33 THR O 1 62 VAL H 2.300 . 2.800 2.239 1.931 2.664 0.069 6 0 "[ . 1 . ]" 3
28 1 33 THR O 1 62 VAL N 3.000 2.700 3.600 3.136 2.861 3.468 . 0 0 "[ . 1 . ]" 3
29 1 35 TYR H 1 60 ASP O 2.300 . 2.800 2.209 1.972 2.712 0.028 6 0 "[ . 1 . ]" 3
30 1 35 TYR N 1 60 ASP O 3.000 2.700 3.600 3.153 2.938 3.645 0.045 15 0 "[ . 1 . ]" 3
31 1 56 ASN O 1 61 LEU H 2.300 . 2.800 2.595 2.259 2.740 . 0 0 "[ . 1 . ]" 3
32 1 56 ASN O 1 61 LEU N 3.000 2.700 3.600 3.449 3.084 3.603 0.003 6 0 "[ . 1 . ]" 3
33 1 56 ASN H 1 61 LEU O 2.300 . 2.800 2.897 2.735 3.016 0.216 8 0 "[ . 1 . ]" 3
34 1 56 ASN N 1 61 LEU O 3.000 2.700 3.600 3.569 3.100 3.721 0.121 12 0 "[ . 1 . ]" 3
35 1 54 TYR O 1 63 GLY H 2.300 . 2.800 2.667 2.340 2.880 0.080 11 0 "[ . 1 . ]" 3
36 1 54 TYR O 1 63 GLY N 3.000 2.700 3.600 3.521 3.201 3.641 0.041 12 0 "[ . 1 . ]" 3
37 1 54 TYR H 1 63 GLY O 2.300 . 2.800 2.683 2.385 2.884 0.084 17 0 "[ . 1 . ]" 3
38 1 54 TYR N 1 63 GLY O 3.000 2.700 3.600 3.600 3.288 3.790 0.190 8 0 "[ . 1 . ]" 3
39 1 29 GLY O 1 66 ALA H 2.300 . 2.800 2.786 2.592 2.874 0.074 10 0 "[ . 1 . ]" 3
40 1 29 GLY O 1 66 ALA N 3.000 2.700 3.600 3.550 3.402 3.759 0.159 2 0 "[ . 1 . ]" 3
41 1 26 CYS O 1 73 LEU H 2.300 . 2.800 2.731 2.475 2.891 0.091 2 0 "[ . 1 . ]" 3
42 1 26 CYS O 1 73 LEU N 3.000 2.700 3.600 3.524 3.215 3.658 0.058 10 0 "[ . 1 . ]" 3
43 1 76 CYS H 1 129 ALA O 2.300 . 2.800 2.473 2.022 2.826 0.026 18 0 "[ . 1 . ]" 3
44 1 76 CYS N 1 129 ALA O 3.000 2.700 3.600 3.009 2.653 3.554 0.047 12 0 "[ . 1 . ]" 3
45 1 83 LEU H 1 95 VAL O 2.300 . 2.800 2.208 1.973 2.415 0.027 5 0 "[ . 1 . ]" 3
46 1 83 LEU N 1 95 VAL O 3.000 2.700 3.600 3.010 2.865 3.169 . 0 0 "[ . 1 . ]" 3
47 1 83 LEU O 1 95 VAL H 2.300 . 2.800 1.969 1.914 2.134 0.086 8 0 "[ . 1 . ]" 3
48 1 83 LEU O 1 95 VAL N 3.000 2.700 3.600 2.829 2.634 3.002 0.066 14 0 "[ . 1 . ]" 3
49 1 84 TYR H 1 123 LEU O 2.300 . 2.800 2.160 1.941 2.686 0.059 8 0 "[ . 1 . ]" 3
50 1 84 TYR N 1 123 LEU O 3.000 2.700 3.600 3.008 2.743 3.579 . 0 0 "[ . 1 . ]" 3
51 1 84 TYR O 1 123 LEU H 2.300 . 2.800 2.114 1.925 2.353 0.075 18 0 "[ . 1 . ]" 3
52 1 84 TYR O 1 123 LEU N 3.000 2.700 3.600 2.968 2.808 3.281 . 0 0 "[ . 1 . ]" 3
53 1 85 LEU H 1 93 ILE O 2.300 . 2.800 2.445 2.126 2.857 0.057 9 0 "[ . 1 . ]" 3
54 1 85 LEU N 1 93 ILE O 3.000 2.700 3.600 3.370 3.095 3.774 0.174 8 0 "[ . 1 . ]" 3
55 1 86 VAL H 1 121 PRO O 2.300 . 2.800 2.773 2.468 2.892 0.092 8 0 "[ . 1 . ]" 3
56 1 86 VAL N 1 121 PRO O 3.000 2.700 3.600 3.618 3.382 3.716 0.116 17 0 "[ . 1 . ]" 3
57 1 87 THR H 1 91 ASP O 2.300 . 2.800 2.571 2.077 3.011 0.211 9 0 "[ . 1 . ]" 3
58 1 87 THR N 1 91 ASP O 3.000 2.700 3.600 3.426 3.004 3.724 0.124 8 0 "[ . 1 . ]" 3
59 1 96 ARG H 1 104 SER O 2.300 . 2.800 2.456 2.132 2.831 0.031 1 0 "[ . 1 . ]" 3
60 1 96 ARG N 1 104 SER O 3.000 2.700 3.600 3.241 2.927 3.592 . 0 0 "[ . 1 . ]" 3
61 1 111 VAL O 1 114 LEU H 2.300 . 2.800 2.686 2.515 2.801 0.001 16 0 "[ . 1 . ]" 3
62 1 111 VAL O 1 114 LEU N 3.000 2.700 3.600 3.187 3.070 3.278 . 0 0 "[ . 1 . ]" 3
63 1 119 GLY H 1 133 PHE O 2.300 . 2.800 2.633 2.411 2.777 . 0 0 "[ . 1 . ]" 3
64 1 119 GLY N 1 133 PHE O 3.000 2.700 3.600 3.588 3.327 3.698 0.098 18 0 "[ . 1 . ]" 3
65 1 117 SER O 1 120 GLY H 2.300 . 2.800 2.399 2.185 2.646 . 0 0 "[ . 1 . ]" 3
66 1 117 SER O 1 120 GLY N 3.000 2.700 3.600 3.308 3.097 3.539 . 0 0 "[ . 1 . ]" 3
67 1 122 LEU H 1 131 GLY O 2.300 . 2.800 1.939 1.885 2.383 0.115 16 0 "[ . 1 . ]" 3
68 1 122 LEU N 1 131 GLY O 3.000 2.700 3.600 2.845 2.641 3.270 0.059 8 0 "[ . 1 . ]" 3
69 1 122 LEU O 1 131 GLY H 2.300 . 2.800 2.931 2.853 3.045 0.245 8 0 "[ . 1 . ]" 3
70 1 122 LEU O 1 131 GLY N 3.400 3.100 4.000 3.840 3.720 3.978 . 0 0 "[ . 1 . ]" 3
71 1 124 CYS H 1 128 HIS O 2.300 . 2.800 2.303 1.963 2.762 0.037 3 0 "[ . 1 . ]" 3
72 1 124 CYS N 1 128 HIS O 3.000 2.700 3.600 3.149 2.671 3.600 0.029 17 0 "[ . 1 . ]" 3
73 1 124 CYS O 1 127 GLY H 2.300 . 2.800 2.517 2.178 2.814 0.014 16 0 "[ . 1 . ]" 3
74 1 124 CYS O 1 127 GLY N 3.000 2.700 3.600 3.277 3.044 3.681 0.081 12 0 "[ . 1 . ]" 3
75 1 74 THR O 1 129 ALA H 2.300 . 2.800 2.411 1.972 2.910 0.110 12 0 "[ . 1 . ]" 3
76 1 74 THR O 1 129 ALA N 3.000 2.500 3.600 3.173 2.695 3.592 . 0 0 "[ . 1 . ]" 3
77 1 122 LEU O 1 130 VAL H 2.300 . 2.800 1.924 1.858 2.015 0.142 12 0 "[ . 1 . ]" 3
78 1 122 LEU O 1 130 VAL N 3.000 2.700 3.600 2.809 2.716 2.935 . 0 0 "[ . 1 . ]" 3
79 1 132 ILE H 1 149 VAL O 2.300 . 2.800 2.455 2.108 2.759 . 0 0 "[ . 1 . ]" 3
80 1 132 ILE N 1 149 VAL O 3.000 2.700 3.600 3.316 2.982 3.607 0.007 1 0 "[ . 1 . ]" 3
81 1 120 GLY O 1 133 PHE H 2.300 . 2.800 2.119 1.855 2.467 0.145 18 0 "[ . 1 . ]" 3
82 1 120 GLY O 1 133 PHE N 3.000 2.700 3.600 3.024 2.749 3.428 . 0 0 "[ . 1 . ]" 3
83 1 134 ARG H 1 147 ASP O 2.300 . 2.800 2.509 2.269 2.661 . 0 0 "[ . 1 . ]" 3
84 1 134 ARG N 1 147 ASP O 3.000 2.700 3.600 3.311 3.109 3.497 . 0 0 "[ . 1 . ]" 3
85 1 135 ALA H 1 147 ASP O 2.300 . 2.800 2.753 2.528 2.833 0.033 2 0 "[ . 1 . ]" 3
86 1 135 ALA N 1 147 ASP O 3.000 2.700 3.600 3.635 3.476 3.723 0.123 7 0 "[ . 1 . ]" 3
87 1 135 ALA O 1 147 ASP H 2.300 . 2.800 2.552 2.364 2.727 . 0 0 "[ . 1 . ]" 3
88 1 135 ALA O 1 147 ASP N 3.000 2.700 3.600 3.505 3.323 3.676 0.076 13 0 "[ . 1 . ]" 3
89 1 137 VAL O 1 144 LYS H 2.300 . 2.800 2.438 2.331 2.683 . 0 0 "[ . 1 . ]" 3
90 1 137 VAL O 1 144 LYS N 3.000 2.700 3.600 3.277 3.193 3.465 . 0 0 "[ . 1 . ]" 3
91 1 103 GLY O 1 146 VAL H 2.300 . 2.800 2.121 1.941 2.557 0.059 13 0 "[ . 1 . ]" 3
92 1 103 GLY O 1 146 VAL N 3.000 2.700 3.600 3.060 2.899 3.498 . 0 0 "[ . 1 . ]" 3
93 1 101 SER O 1 148 PHE H 2.300 . 2.800 2.282 1.976 2.752 0.024 2 0 "[ . 1 . ]" 3
94 1 101 SER O 1 148 PHE N 3.000 2.700 3.600 3.196 2.865 3.620 0.020 18 0 "[ . 1 . ]" 3
95 1 132 ILE O 1 149 VAL H 2.300 . 2.800 2.541 1.943 2.845 0.057 9 0 "[ . 1 . ]" 3
96 1 132 ILE O 1 149 VAL N 3.000 2.700 3.600 3.393 2.835 3.663 0.063 4 0 "[ . 1 . ]" 3
97 1 130 VAL O 1 151 VAL H 2.300 . 2.800 2.627 2.194 2.856 0.056 11 0 "[ . 1 . ]" 3
98 1 130 VAL O 1 151 VAL N 3.000 2.700 3.600 3.338 3.068 3.521 . 0 0 "[ . 1 . ]" 3
stop_
save_
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