NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
606710 |
5jpw   |
30074 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jpw
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 2907
_Distance_constraint_stats_list.Viol_count 6041
_Distance_constraint_stats_list.Viol_total 6355.669
_Distance_constraint_stats_list.Viol_max 0.725
_Distance_constraint_stats_list.Viol_rms 0.0252
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_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 3 MET 0.344 0.086 1 0 "[ . 1 . 2]"
1 4 GLU 1.671 0.356 10 0 "[ . 1 . 2]"
1 5 ASP 0.854 0.216 10 0 "[ . 1 . 2]"
1 6 TYR 1.648 0.356 10 0 "[ . 1 . 2]"
1 7 GLN 0.429 0.087 7 0 "[ . 1 . 2]"
1 8 ALA 0.311 0.087 7 0 "[ . 1 . 2]"
1 9 ALA 0.294 0.074 9 0 "[ . 1 . 2]"
1 10 GLU 0.247 0.074 9 0 "[ . 1 . 2]"
1 11 GLU 1.028 0.109 13 0 "[ . 1 . 2]"
1 12 THR 1.103 0.100 16 0 "[ . 1 . 2]"
1 13 ALA 0.710 0.109 13 0 "[ . 1 . 2]"
1 14 PHE 3.331 0.170 19 0 "[ . 1 . 2]"
1 15 VAL 1.863 0.404 15 0 "[ . 1 . 2]"
1 16 VAL 2.447 0.288 19 0 "[ . 1 . 2]"
1 17 ASP 0.022 0.022 18 0 "[ . 1 . 2]"
1 18 GLU 6.523 0.404 15 0 "[ . 1 . 2]"
1 19 VAL 5.523 0.444 13 0 "[ . 1 . 2]"
1 20 SER 2.543 0.139 7 0 "[ . 1 . 2]"
1 21 ASN 1.231 0.089 18 0 "[ . 1 . 2]"
1 22 ILE 7.214 0.444 13 0 "[ . 1 . 2]"
1 23 VAL 2.970 0.097 4 0 "[ . 1 . 2]"
1 24 LYS 5.752 0.138 19 0 "[ . 1 . 2]"
1 25 GLU 1.440 0.044 17 0 "[ . 1 . 2]"
1 26 ALA 4.824 0.112 7 0 "[ . 1 . 2]"
1 27 ILE 9.675 0.106 15 0 "[ . 1 . 2]"
1 28 GLU 3.655 0.161 17 0 "[ . 1 . 2]"
1 29 SER 0.955 0.077 3 0 "[ . 1 . 2]"
1 30 ALA 0.276 0.043 11 0 "[ . 1 . 2]"
1 31 ILE 2.132 0.137 14 0 "[ . 1 . 2]"
1 32 GLY 0.330 0.161 17 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ASN 0.930 0.137 14 0 "[ . 1 . 2]"
1 35 ALA 1.316 0.142 16 0 "[ . 1 . 2]"
1 36 TYR 1.316 0.142 16 0 "[ . 1 . 2]"
1 37 GLN 0.760 0.106 17 0 "[ . 1 . 2]"
1 38 HIS 0.051 0.041 17 0 "[ . 1 . 2]"
1 39 SER 4.759 0.430 2 0 "[ . 1 . 2]"
1 40 LYS 3.725 0.353 3 0 "[ . 1 . 2]"
1 41 VAL 7.240 0.430 2 0 "[ . 1 . 2]"
1 42 ASN 1.304 0.085 1 0 "[ . 1 . 2]"
1 43 GLN 2.412 0.081 13 0 "[ . 1 . 2]"
1 44 TRP 12.976 0.157 9 0 "[ . 1 . 2]"
1 45 THR 1.857 0.089 5 0 "[ . 1 . 2]"
1 46 THR 2.615 0.157 9 0 "[ . 1 . 2]"
1 47 ASN 0.754 0.052 7 0 "[ . 1 . 2]"
1 48 VAL 2.364 0.086 20 0 "[ . 1 . 2]"
1 49 VAL 0.321 0.054 7 0 "[ . 1 . 2]"
1 50 GLU 1.114 0.074 14 0 "[ . 1 . 2]"
1 51 GLN 1.242 0.097 13 0 "[ . 1 . 2]"
1 52 THR 5.744 0.136 6 0 "[ . 1 . 2]"
1 53 LEU 13.489 0.700 18 11 "[* *.* **1* -.**+*2]"
1 54 SER 1.298 0.266 11 0 "[ . 1 . 2]"
1 55 GLN 2.942 0.112 7 0 "[ . 1 . 2]"
1 56 LEU 2.324 0.146 5 0 "[ . 1 . 2]"
1 57 THR 2.216 0.105 12 0 "[ . 1 . 2]"
1 58 LYS 5.846 0.135 15 0 "[ . 1 . 2]"
1 59 LEU 4.146 0.170 19 0 "[ . 1 . 2]"
1 60 GLY 0.810 0.184 17 0 "[ . 1 . 2]"
1 61 LYS 1.114 0.184 17 0 "[ . 1 . 2]"
1 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.232 0.153 11 0 "[ . 1 . 2]"
1 64 LYS 0.238 0.153 11 0 "[ . 1 . 2]"
1 65 TYR 0.736 0.095 4 0 "[ . 1 . 2]"
1 66 ILE 2.187 0.162 8 0 "[ . 1 . 2]"
1 67 VAL 1.502 0.078 8 0 "[ . 1 . 2]"
1 68 THR 1.292 0.080 12 0 "[ . 1 . 2]"
1 69 CYS 1.966 0.110 14 0 "[ . 1 . 2]"
1 70 VAL 4.601 0.210 9 0 "[ . 1 . 2]"
1 71 ILE 3.726 0.225 16 0 "[ . 1 . 2]"
1 72 MET 2.316 0.146 17 0 "[ . 1 . 2]"
1 73 GLN 1.829 0.190 12 0 "[ . 1 . 2]"
1 74 LYS 0.256 0.125 8 0 "[ . 1 . 2]"
1 77 ALA 0.206 0.044 15 0 "[ . 1 . 2]"
1 78 GLY 0.426 0.119 16 0 "[ . 1 . 2]"
1 79 LEU 0.579 0.119 16 0 "[ . 1 . 2]"
1 81 THR 2.623 0.086 13 0 "[ . 1 . 2]"
1 82 ALA 1.982 0.102 2 0 "[ . 1 . 2]"
1 83 SER 1.142 0.120 20 0 "[ . 1 . 2]"
1 84 SER 0.167 0.070 17 0 "[ . 1 . 2]"
1 85 CYS 0.078 0.078 8 0 "[ . 1 . 2]"
1 86 PHE 0.157 0.078 8 0 "[ . 1 . 2]"
1 87 TRP 3.005 0.124 10 0 "[ . 1 . 2]"
1 88 ASP 0.415 0.066 8 0 "[ . 1 . 2]"
1 89 SER 1.115 0.111 10 0 "[ . 1 . 2]"
1 90 SER 1.387 0.106 3 0 "[ . 1 . 2]"
1 91 THR 0.676 0.083 9 0 "[ . 1 . 2]"
1 92 ASP 0.676 0.089 12 0 "[ . 1 . 2]"
1 93 GLY 0.733 0.350 18 0 "[ . 1 . 2]"
1 94 SER 1.050 0.176 14 0 "[ . 1 . 2]"
1 95 CYS 0.689 0.114 14 0 "[ . 1 . 2]"
1 96 THR 9.964 0.700 18 11 "[* *.* **1* -.**+*2]"
1 97 VAL 5.157 0.241 18 0 "[ . 1 . 2]"
1 98 ARG 1.831 0.192 4 0 "[ . 1 . 2]"
1 99 TRP 3.772 0.108 7 0 "[ . 1 . 2]"
1 100 GLU 1.421 0.102 19 0 "[ . 1 . 2]"
1 101 ASN 0.055 0.048 6 0 "[ . 1 . 2]"
1 102 LYS 3.670 0.191 17 0 "[ . 1 . 2]"
1 103 THR 0.942 0.111 18 0 "[ . 1 . 2]"
1 104 MET 0.019 0.019 14 0 "[ . 1 . 2]"
1 105 TYR 1.456 0.112 19 0 "[ . 1 . 2]"
1 106 CYS 2.501 0.225 16 0 "[ . 1 . 2]"
1 107 ILE 2.466 0.081 14 0 "[ . 1 . 2]"
1 108 VAL 5.096 0.241 18 0 "[ . 1 . 2]"
1 109 SER 0.987 0.093 11 0 "[ . 1 . 2]"
1 110 ALA 2.055 0.168 12 0 "[ . 1 . 2]"
1 111 PHE 3.150 0.294 9 0 "[ . 1 . 2]"
1 112 GLY 0.062 0.032 6 0 "[ . 1 . 2]"
1 113 LEU 2.829 0.350 18 0 "[ . 1 . 2]"
1 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ILE 2.142 0.269 8 0 "[ . 1 . 2]"
1 116 GLY 0.177 0.120 18 0 "[ . 1 . 2]"
1 117 GLY 0.032 0.027 10 0 "[ . 1 . 2]"
1 118 GLY 0.521 0.124 17 0 "[ . 1 . 2]"
1 119 SER 0.195 0.124 17 0 "[ . 1 . 2]"
1 121 GLN 1.054 0.122 17 0 "[ . 1 . 2]"
1 122 SER 0.760 0.122 17 0 "[ . 1 . 2]"
1 123 GLY 0.009 0.009 13 0 "[ . 1 . 2]"
1 124 PRO 0.095 0.033 17 0 "[ . 1 . 2]"
1 125 ILE 1.450 0.143 10 0 "[ . 1 . 2]"
1 126 LYS 2.834 0.215 13 0 "[ . 1 . 2]"
1 127 LEU 1.150 0.133 14 0 "[ . 1 . 2]"
1 128 GLY 0.479 0.094 4 0 "[ . 1 . 2]"
1 129 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 130 ALA 2.681 0.192 17 0 "[ . 1 . 2]"
1 131 LYS 3.513 0.192 17 0 "[ . 1 . 2]"
1 132 ILE 0.650 0.032 2 0 "[ . 1 . 2]"
1 133 THR 0.016 0.016 1 0 "[ . 1 . 2]"
1 134 GLN 3.382 0.159 15 0 "[ . 1 . 2]"
1 135 VAL 8.291 0.180 12 0 "[ . 1 . 2]"
1 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 PHE 0.304 0.104 3 0 "[ . 1 . 2]"
1 140 ARG 2.307 0.108 5 0 "[ . 1 . 2]"
1 141 GLU 2.564 0.126 5 0 "[ . 1 . 2]"
1 142 ILE 1.365 0.208 1 0 "[ . 1 . 2]"
1 143 VAL 0.229 0.132 12 0 "[ . 1 . 2]"
2 3 MET 0.299 0.083 1 0 "[ . 1 . 2]"
2 4 GLU 1.092 0.258 16 0 "[ . 1 . 2]"
2 5 ASP 0.737 0.158 8 0 "[ . 1 . 2]"
2 6 TYR 1.342 0.258 16 0 "[ . 1 . 2]"
2 7 GLN 0.563 0.108 13 0 "[ . 1 . 2]"
2 8 ALA 0.444 0.108 13 0 "[ . 1 . 2]"
2 9 ALA 0.329 0.074 9 0 "[ . 1 . 2]"
2 10 GLU 0.282 0.074 9 0 "[ . 1 . 2]"
2 11 GLU 1.144 0.093 12 0 "[ . 1 . 2]"
2 12 THR 1.172 0.093 16 0 "[ . 1 . 2]"
2 13 ALA 0.776 0.093 12 0 "[ . 1 . 2]"
2 14 PHE 3.062 0.172 10 0 "[ . 1 . 2]"
2 15 VAL 2.182 0.404 18 0 "[ . 1 . 2]"
2 16 VAL 2.439 0.353 12 0 "[ . 1 . 2]"
2 17 ASP 0.131 0.093 4 0 "[ . 1 . 2]"
2 18 GLU 5.895 0.404 18 0 "[ . 1 . 2]"
2 19 VAL 6.167 0.653 12 1 "[ . 1 + . 2]"
2 20 SER 2.733 0.143 10 0 "[ . 1 . 2]"
2 21 ASN 1.219 0.111 18 0 "[ . 1 . 2]"
2 22 ILE 8.660 0.653 12 1 "[ . 1 + . 2]"
2 23 VAL 3.303 0.101 12 0 "[ . 1 . 2]"
2 24 LYS 5.935 0.142 10 0 "[ . 1 . 2]"
2 25 GLU 1.486 0.046 18 0 "[ . 1 . 2]"
2 26 ALA 4.920 0.110 20 0 "[ . 1 . 2]"
2 27 ILE 9.961 0.121 15 0 "[ . 1 . 2]"
2 28 GLU 3.664 0.160 17 0 "[ . 1 . 2]"
2 29 SER 0.923 0.078 3 0 "[ . 1 . 2]"
2 30 ALA 0.270 0.041 11 0 "[ . 1 . 2]"
2 31 ILE 2.092 0.116 17 0 "[ . 1 . 2]"
2 32 GLY 0.322 0.160 17 0 "[ . 1 . 2]"
2 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 ASN 0.876 0.116 17 0 "[ . 1 . 2]"
2 35 ALA 1.476 0.140 20 0 "[ . 1 . 2]"
2 36 TYR 1.476 0.140 20 0 "[ . 1 . 2]"
2 37 GLN 0.755 0.117 17 0 "[ . 1 . 2]"
2 38 HIS 0.050 0.042 17 0 "[ . 1 . 2]"
2 39 SER 3.859 0.432 2 0 "[ . 1 . 2]"
2 40 LYS 4.376 0.418 10 0 "[ . 1 . 2]"
2 41 VAL 7.251 0.432 2 0 "[ . 1 . 2]"
2 42 ASN 1.247 0.087 15 0 "[ . 1 . 2]"
2 43 GLN 2.384 0.085 12 0 "[ . 1 . 2]"
2 44 TRP 12.880 0.146 9 0 "[ . 1 . 2]"
2 45 THR 1.872 0.088 5 0 "[ . 1 . 2]"
2 46 THR 2.630 0.146 9 0 "[ . 1 . 2]"
2 47 ASN 0.766 0.066 7 0 "[ . 1 . 2]"
2 48 VAL 2.494 0.085 20 0 "[ . 1 . 2]"
2 49 VAL 0.313 0.067 7 0 "[ . 1 . 2]"
2 50 GLU 1.123 0.076 14 0 "[ . 1 . 2]"
2 51 GLN 1.369 0.100 13 0 "[ . 1 . 2]"
2 52 THR 5.714 0.132 7 0 "[ . 1 . 2]"
2 53 LEU 13.501 0.725 18 8 "[* .-***1 *. +*2]"
2 54 SER 1.254 0.222 6 0 "[ . 1 . 2]"
2 55 GLN 3.191 0.110 20 0 "[ . 1 . 2]"
2 56 LEU 3.285 0.343 18 0 "[ . 1 . 2]"
2 57 THR 2.750 0.126 12 0 "[ . 1 . 2]"
2 58 LYS 6.235 0.123 15 0 "[ . 1 . 2]"
2 59 LEU 5.639 0.450 20 0 "[ . 1 . 2]"
2 60 GLY 0.860 0.184 17 0 "[ . 1 . 2]"
2 61 LYS 1.110 0.184 17 0 "[ . 1 . 2]"
2 62 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 PHE 0.796 0.186 5 0 "[ . 1 . 2]"
2 64 LYS 0.688 0.186 5 0 "[ . 1 . 2]"
2 65 TYR 0.656 0.084 4 0 "[ . 1 . 2]"
2 66 ILE 2.452 0.095 3 0 "[ . 1 . 2]"
2 67 VAL 1.745 0.113 8 0 "[ . 1 . 2]"
2 68 THR 1.564 0.103 20 0 "[ . 1 . 2]"
2 69 CYS 2.209 0.103 20 0 "[ . 1 . 2]"
2 70 VAL 3.072 0.271 4 0 "[ . 1 . 2]"
2 71 ILE 3.498 0.200 6 0 "[ . 1 . 2]"
2 72 MET 2.085 0.143 11 0 "[ . 1 . 2]"
2 73 GLN 1.806 0.220 13 0 "[ . 1 . 2]"
2 74 LYS 0.262 0.125 8 0 "[ . 1 . 2]"
2 77 ALA 0.290 0.044 15 0 "[ . 1 . 2]"
2 78 GLY 0.365 0.182 16 0 "[ . 1 . 2]"
2 79 LEU 0.831 0.182 16 0 "[ . 1 . 2]"
2 81 THR 2.412 0.214 18 0 "[ . 1 . 2]"
2 82 ALA 1.957 0.122 2 0 "[ . 1 . 2]"
2 83 SER 0.916 0.099 20 0 "[ . 1 . 2]"
2 84 SER 0.149 0.065 17 0 "[ . 1 . 2]"
2 85 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 PHE 0.075 0.075 20 0 "[ . 1 . 2]"
2 87 TRP 3.163 0.140 20 0 "[ . 1 . 2]"
2 88 ASP 0.346 0.048 5 0 "[ . 1 . 2]"
2 89 SER 1.243 0.104 8 0 "[ . 1 . 2]"
2 90 SER 1.232 0.105 3 0 "[ . 1 . 2]"
2 91 THR 0.617 0.083 6 0 "[ . 1 . 2]"
2 92 ASP 0.631 0.089 12 0 "[ . 1 . 2]"
2 93 GLY 0.669 0.323 18 0 "[ . 1 . 2]"
2 94 SER 0.960 0.200 14 0 "[ . 1 . 2]"
2 95 CYS 0.845 0.162 14 0 "[ . 1 . 2]"
2 96 THR 9.644 0.725 18 8 "[* .-***1 *. +*2]"
2 97 VAL 5.435 0.230 4 0 "[ . 1 . 2]"
2 98 ARG 1.820 0.230 4 0 "[ . 1 . 2]"
2 99 TRP 4.267 0.121 16 0 "[ . 1 . 2]"
2 100 GLU 1.584 0.140 16 0 "[ . 1 . 2]"
2 101 ASN 0.055 0.055 6 0 "[ . 1 . 2]"
2 102 LYS 3.502 0.191 17 0 "[ . 1 . 2]"
2 103 THR 0.946 0.095 18 0 "[ . 1 . 2]"
2 104 MET 0.297 0.220 13 0 "[ . 1 . 2]"
2 105 TYR 1.977 0.205 6 0 "[ . 1 . 2]"
2 106 CYS 2.277 0.200 6 0 "[ . 1 . 2]"
2 107 ILE 2.107 0.100 14 0 "[ . 1 . 2]"
2 108 VAL 5.012 0.194 10 0 "[ . 1 . 2]"
2 109 SER 1.036 0.098 11 0 "[ . 1 . 2]"
2 110 ALA 1.554 0.138 14 0 "[ . 1 . 2]"
2 111 PHE 2.290 0.269 9 0 "[ . 1 . 2]"
2 112 GLY 0.022 0.019 8 0 "[ . 1 . 2]"
2 113 LEU 1.817 0.323 18 0 "[ . 1 . 2]"
2 114 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 115 ILE 2.104 0.260 8 0 "[ . 1 . 2]"
2 116 GLY 0.275 0.119 18 0 "[ . 1 . 2]"
2 117 GLY 0.021 0.021 10 0 "[ . 1 . 2]"
2 118 GLY 0.312 0.100 7 0 "[ . 1 . 2]"
2 119 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 121 GLN 0.974 0.096 17 0 "[ . 1 . 2]"
2 122 SER 0.695 0.096 17 0 "[ . 1 . 2]"
2 123 GLY 0.008 0.008 13 0 "[ . 1 . 2]"
2 124 PRO 0.050 0.027 17 0 "[ . 1 . 2]"
2 125 ILE 1.234 0.153 8 0 "[ . 1 . 2]"
2 126 LYS 2.323 0.214 14 0 "[ . 1 . 2]"
2 127 LEU 1.020 0.137 4 0 "[ . 1 . 2]"
2 128 GLY 0.569 0.137 4 0 "[ . 1 . 2]"
2 129 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 130 ALA 2.614 0.189 17 0 "[ . 1 . 2]"
2 131 LYS 3.868 0.307 20 0 "[ . 1 . 2]"
2 132 ILE 0.628 0.033 2 0 "[ . 1 . 2]"
2 133 THR 0.027 0.019 1 0 "[ . 1 . 2]"
2 134 GLN 0.958 0.099 20 0 "[ . 1 . 2]"
2 135 VAL 2.266 0.420 3 0 "[ . 1 . 2]"
2 136 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 137 PHE 1.123 0.420 3 0 "[ . 1 . 2]"
2 140 ARG 2.285 0.110 5 0 "[ . 1 . 2]"
2 141 GLU 2.490 0.124 5 0 "[ . 1 . 2]"
2 142 ILE 1.715 0.225 4 0 "[ . 1 . 2]"
2 143 VAL 0.268 0.174 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 GLU HA 1 4 GLU QG . . 3.500 3.385 3.343 3.476 . 0 0 "[ . 1 . 2]" 1
2 1 4 GLU HA 1 4 GLU HB2 . . 2.570 2.411 2.333 2.466 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU HB2 1 4 GLU QG . . 2.710 2.399 2.156 2.576 . 0 0 "[ . 1 . 2]" 1
4 1 73 GLN QG 1 74 LYS H . . 3.470 2.950 2.072 3.595 0.125 8 0 "[ . 1 . 2]" 1
5 1 7 GLN HA 1 7 GLN QG . . 2.830 2.316 2.165 2.480 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLN H 1 7 GLN HB3 . . 3.670 3.055 2.720 3.382 . 0 0 "[ . 1 . 2]" 1
7 1 12 THR HA 1 12 THR MG . . 3.550 3.252 3.217 3.277 . 0 0 "[ . 1 . 2]" 1
8 1 12 THR HA 1 12 THR HB . . 2.990 2.492 2.380 2.607 . 0 0 "[ . 1 . 2]" 1
9 1 15 VAL HA 1 15 VAL MG2 . . 3.560 2.341 2.257 2.386 . 0 0 "[ . 1 . 2]" 1
10 1 67 VAL H 1 67 VAL MG1 . . 3.330 3.233 2.894 3.387 0.057 11 0 "[ . 1 . 2]" 1
11 1 16 VAL H 1 16 VAL MG1 . . 3.790 3.358 1.875 3.811 0.021 8 0 "[ . 1 . 2]" 1
12 1 14 PHE QD 1 18 GLU QG . . 4.570 4.352 2.859 4.683 0.113 10 0 "[ . 1 . 2]" 1
13 1 18 GLU HA 1 18 GLU QG . . 3.280 2.639 2.255 3.122 . 0 0 "[ . 1 . 2]" 1
14 1 19 VAL HA 1 19 VAL MG2 . . 3.240 2.369 2.238 2.516 . 0 0 "[ . 1 . 2]" 1
15 1 20 SER HA 1 20 SER QB . . 2.400 2.389 2.366 2.404 0.004 17 0 "[ . 1 . 2]" 1
16 1 22 ILE HB 1 22 ILE HG13 . . 2.550 2.431 2.362 2.460 . 0 0 "[ . 1 . 2]" 1
17 1 22 ILE HA 1 22 ILE HG13 . . 3.740 3.214 3.164 3.300 . 0 0 "[ . 1 . 2]" 1
18 1 22 ILE HG13 1 22 ILE MG . . 3.330 3.225 3.210 3.238 . 0 0 "[ . 1 . 2]" 1
19 1 22 ILE HG12 1 22 ILE MG . . 2.550 2.468 2.416 2.543 . 0 0 "[ . 1 . 2]" 1
20 1 22 ILE MD 1 22 ILE MG . . 2.400 2.057 2.020 2.086 . 0 0 "[ . 1 . 2]" 1
21 1 23 VAL HA 1 23 VAL MG2 . . 3.500 2.206 2.165 2.238 . 0 0 "[ . 1 . 2]" 1
22 1 23 VAL H 1 23 VAL MG2 . . 3.930 3.798 3.781 3.822 . 0 0 "[ . 1 . 2]" 1
23 1 24 LYS HA 1 27 ILE HG13 . . 5.330 4.154 3.977 4.314 . 0 0 "[ . 1 . 2]" 1
24 1 24 LYS HA 1 24 LYS QE . . 3.840 3.866 3.837 3.905 0.065 18 0 "[ . 1 . 2]" 1
25 1 24 LYS HB3 1 24 LYS QE . . 4.910 4.434 4.367 4.463 . 0 0 "[ . 1 . 2]" 1
26 1 24 LYS QE 1 24 LYS HG3 . . 2.630 2.280 2.183 2.345 . 0 0 "[ . 1 . 2]" 1
27 1 24 LYS HB3 1 24 LYS QD . . 3.160 3.160 3.097 3.191 0.031 19 0 "[ . 1 . 2]" 1
28 1 24 LYS HB2 1 24 LYS QD . . 2.680 2.138 2.103 2.171 . 0 0 "[ . 1 . 2]" 1
29 1 24 LYS QD 1 24 LYS HG3 . . 2.550 2.528 2.509 2.562 0.012 9 0 "[ . 1 . 2]" 1
30 1 24 LYS QE 1 24 LYS HG2 . . 3.420 3.224 3.169 3.291 . 0 0 "[ . 1 . 2]" 1
31 1 24 LYS QD 1 24 LYS HG2 . . 2.410 2.240 2.198 2.266 . 0 0 "[ . 1 . 2]" 1
32 1 25 GLU HA 1 25 GLU HG2 . . 4.240 4.184 4.167 4.212 . 0 0 "[ . 1 . 2]" 1
33 1 25 GLU HB3 1 25 GLU HG2 . . 2.400 2.220 2.211 2.238 . 0 0 "[ . 1 . 2]" 1
34 1 25 GLU H 1 25 GLU HB2 . . 3.760 3.667 3.637 3.682 . 0 0 "[ . 1 . 2]" 1
35 1 25 GLU HB3 1 25 GLU HG3 . . 2.780 2.800 2.759 2.824 0.044 17 0 "[ . 1 . 2]" 1
36 1 29 SER H 1 29 SER QB . . 3.110 2.247 2.102 2.494 . 0 0 "[ . 1 . 2]" 1
37 1 29 SER HA 1 29 SER QB . . 2.400 2.301 2.120 2.394 . 0 0 "[ . 1 . 2]" 1
38 1 31 ILE HA 1 31 ILE HG12 . . 3.960 2.498 2.338 2.620 . 0 0 "[ . 1 . 2]" 1
39 1 31 ILE HA 1 31 ILE HG13 . . 3.650 2.908 2.693 3.021 . 0 0 "[ . 1 . 2]" 1
40 1 31 ILE MD 1 31 ILE MG . . 2.850 2.051 2.029 2.081 . 0 0 "[ . 1 . 2]" 1
41 1 31 ILE H 1 31 ILE MD . . 4.300 3.641 3.523 3.752 . 0 0 "[ . 1 . 2]" 1
42 1 40 LYS HA 1 40 LYS QG . . 3.380 2.758 2.469 2.885 . 0 0 "[ . 1 . 2]" 1
43 1 40 LYS HA 1 40 LYS QE . . 4.110 3.918 2.116 4.176 0.066 5 0 "[ . 1 . 2]" 1
44 1 40 LYS QB 1 40 LYS QE . . 4.310 3.549 3.177 3.883 . 0 0 "[ . 1 . 2]" 1
45 1 44 TRP HA 1 44 TRP HD1 . . 3.300 2.165 2.136 2.203 . 0 0 "[ . 1 . 2]" 1
46 1 44 TRP HA 1 44 TRP HE1 . . 4.630 4.652 4.632 4.667 0.037 17 0 "[ . 1 . 2]" 1
47 1 44 TRP HA 1 47 ASN HB3 . . 3.630 2.745 2.668 2.824 . 0 0 "[ . 1 . 2]" 1
48 1 49 VAL HA 1 49 VAL MG1 . . 3.230 2.521 2.439 2.555 . 0 0 "[ . 1 . 2]" 1
49 1 48 VAL MG2 1 49 VAL H . . 3.930 3.745 3.673 3.809 . 0 0 "[ . 1 . 2]" 1
50 1 49 VAL H 1 49 VAL MG2 . . 4.280 2.070 2.030 2.135 . 0 0 "[ . 1 . 2]" 1
51 1 51 GLN HA 1 51 GLN HG2 . . 3.990 2.608 2.413 3.365 . 0 0 "[ . 1 . 2]" 1
52 1 51 GLN H 1 51 GLN HB2 . . 3.520 2.519 2.460 2.569 . 0 0 "[ . 1 . 2]" 1
53 1 52 THR H 1 52 THR MG . . 3.850 3.745 3.718 3.765 . 0 0 "[ . 1 . 2]" 1
54 1 53 LEU H 1 53 LEU HG . . 4.760 4.498 4.408 4.585 . 0 0 "[ . 1 . 2]" 1
55 1 55 GLN H 1 55 GLN HG2 . . 4.080 4.137 4.096 4.189 0.109 11 0 "[ . 1 . 2]" 1
56 1 55 GLN HA 1 55 GLN HG2 . . 3.870 3.624 3.508 3.680 . 0 0 "[ . 1 . 2]" 1
57 1 55 GLN H 1 55 GLN HB2 . . 3.270 2.799 2.685 2.903 . 0 0 "[ . 1 . 2]" 1
58 1 57 THR H 1 57 THR MG . . 4.060 3.771 3.672 3.803 . 0 0 "[ . 1 . 2]" 1
59 1 69 CYS HB2 1 108 VAL HA . . 5.500 2.911 2.358 3.252 . 0 0 "[ . 1 . 2]" 1
60 1 69 CYS HB3 1 108 VAL HA . . 5.500 2.540 2.135 4.172 . 0 0 "[ . 1 . 2]" 1
61 1 58 LYS HA 1 58 LYS HG2 . . 3.930 3.622 3.495 3.683 . 0 0 "[ . 1 . 2]" 1
62 1 58 LYS HA 1 58 LYS HD3 . . 4.200 3.289 2.945 4.027 . 0 0 "[ . 1 . 2]" 1
63 1 58 LYS HA 1 58 LYS HD2 . . 3.300 2.314 2.239 2.434 . 0 0 "[ . 1 . 2]" 1
64 1 40 LYS QE 1 44 TRP HZ2 . . 4.720 3.264 2.223 4.798 0.078 9 0 "[ . 1 . 2]" 1
65 1 125 ILE HA 1 126 LYS QE . . 5.360 4.568 3.252 5.503 0.143 10 0 "[ . 1 . 2]" 1
66 1 98 ARG QB 1 98 ARG HD2 . . 3.530 2.456 2.253 2.867 . 0 0 "[ . 1 . 2]" 1
67 1 24 LYS HB2 1 24 LYS HG3 . . 3.000 2.988 2.951 3.000 0.000 7 0 "[ . 1 . 2]" 1
68 1 140 ARG HB3 1 140 ARG HG2 . . 2.960 2.484 2.269 3.026 0.066 11 0 "[ . 1 . 2]" 1
69 1 58 LYS HB3 1 58 LYS HD2 . . 3.050 2.831 2.686 3.131 0.081 13 0 "[ . 1 . 2]" 1
70 1 58 LYS H 1 58 LYS HD3 . . 4.410 3.059 2.652 4.025 . 0 0 "[ . 1 . 2]" 1
71 1 58 LYS HB3 1 58 LYS HD3 . . 3.870 3.750 3.671 3.907 0.037 17 0 "[ . 1 . 2]" 1
72 1 58 LYS HB2 1 58 LYS HD2 . . 3.710 3.676 3.646 3.723 0.013 13 0 "[ . 1 . 2]" 1
73 1 58 LYS HB2 1 58 LYS HG2 . . 2.610 2.318 2.288 2.374 . 0 0 "[ . 1 . 2]" 1
74 1 58 LYS HD2 1 58 LYS HG2 . . 2.920 2.880 2.525 2.993 0.073 15 0 "[ . 1 . 2]" 1
75 1 59 LEU H 1 59 LEU MD2 . . 4.270 4.028 3.656 4.284 0.014 13 0 "[ . 1 . 2]" 1
76 1 53 LEU QD 1 54 SER HA . . 4.370 3.841 3.539 4.636 0.266 11 0 "[ . 1 . 2]" 1
77 1 59 LEU H 1 59 LEU MD1 . . 4.270 3.650 3.314 3.960 . 0 0 "[ . 1 . 2]" 1
78 1 66 ILE HA 1 66 ILE HG12 . . 3.440 3.509 3.421 3.602 0.162 8 0 "[ . 1 . 2]" 1
79 1 66 ILE HB 1 66 ILE MD . . 3.590 2.174 2.064 2.304 . 0 0 "[ . 1 . 2]" 1
80 1 66 ILE HA 1 66 ILE HG13 . . 3.440 2.385 2.245 2.666 . 0 0 "[ . 1 . 2]" 1
81 1 66 ILE HG13 1 66 ILE MG . . 3.510 3.008 2.478 3.157 . 0 0 "[ . 1 . 2]" 1
82 1 66 ILE H 1 66 ILE MD . . 4.950 4.635 4.313 4.888 . 0 0 "[ . 1 . 2]" 1
83 1 67 VAL HA 1 67 VAL MG2 . . 3.400 3.225 3.192 3.257 . 0 0 "[ . 1 . 2]" 1
84 1 67 VAL HA 1 67 VAL MG1 . . 3.010 2.361 2.252 2.565 . 0 0 "[ . 1 . 2]" 1
85 1 67 VAL HB 1 68 THR HA . . 4.590 4.214 3.991 4.510 . 0 0 "[ . 1 . 2]" 1
86 1 70 VAL H 1 70 VAL MG1 . . 4.200 3.554 2.298 3.996 . 0 0 "[ . 1 . 2]" 1
87 1 71 ILE HA 1 71 ILE MD . . 3.600 2.410 2.316 2.493 . 0 0 "[ . 1 . 2]" 1
88 1 71 ILE HB 1 71 ILE MD . . 3.370 3.255 3.217 3.283 . 0 0 "[ . 1 . 2]" 1
89 1 71 ILE HA 1 71 ILE HG13 . . 4.030 3.932 3.820 4.042 0.012 11 0 "[ . 1 . 2]" 1
90 1 71 ILE HA 1 71 ILE HG12 . . 4.030 3.580 3.362 3.781 . 0 0 "[ . 1 . 2]" 1
91 1 71 ILE H 1 71 ILE MG . . 4.440 3.890 3.851 3.952 . 0 0 "[ . 1 . 2]" 1
92 1 71 ILE H 1 71 ILE MD . . 4.140 3.089 2.595 3.359 . 0 0 "[ . 1 . 2]" 1
93 1 71 ILE MD 1 71 ILE MG . . 2.640 2.322 2.142 2.553 . 0 0 "[ . 1 . 2]" 1
94 1 40 LYS HA 1 43 GLN QG . . 4.020 2.195 2.019 2.917 . 0 0 "[ . 1 . 2]" 1
95 1 73 GLN H 1 73 GLN QG . . 4.100 3.771 2.155 4.206 0.106 7 0 "[ . 1 . 2]" 1
96 1 73 GLN HA 1 73 GLN QG . . 3.520 2.377 2.123 3.401 . 0 0 "[ . 1 . 2]" 1
97 1 69 CYS H 2 81 THR MG . . 4.470 3.785 3.290 4.414 . 0 0 "[ . 1 . 2]" 1
98 1 90 SER H 1 90 SER QB . . 3.470 2.462 2.207 2.889 . 0 0 "[ . 1 . 2]" 1
99 1 91 THR HA 1 91 THR MG . . 3.380 2.234 2.165 2.288 . 0 0 "[ . 1 . 2]" 1
100 1 91 THR H 1 91 THR MG . . 3.730 3.515 2.698 3.726 . 0 0 "[ . 1 . 2]" 1
101 1 96 THR HA 1 96 THR MG . . 3.410 3.258 3.229 3.282 . 0 0 "[ . 1 . 2]" 1
102 1 97 VAL HA 1 97 VAL MG2 . . 3.480 2.624 2.536 2.760 . 0 0 "[ . 1 . 2]" 1
103 1 98 ARG HA 1 98 ARG HD3 . . 4.930 4.539 3.794 4.906 . 0 0 "[ . 1 . 2]" 1
104 1 98 ARG HA 1 98 ARG HD2 . . 4.930 4.446 2.295 4.876 . 0 0 "[ . 1 . 2]" 1
105 1 98 ARG HA 1 99 TRP HB2 . . 5.290 4.336 4.153 4.574 . 0 0 "[ . 1 . 2]" 1
106 1 98 ARG QB 1 98 ARG HD3 . . 3.530 2.525 2.289 3.560 0.030 13 0 "[ . 1 . 2]" 1
107 1 102 LYS HA 1 102 LYS QD . . 3.770 3.326 2.399 3.777 0.007 20 0 "[ . 1 . 2]" 1
108 1 102 LYS HA 1 102 LYS HG2 . . 3.620 2.206 2.010 2.374 . 0 0 "[ . 1 . 2]" 1
109 1 102 LYS HA 1 102 LYS QE . . 4.000 3.345 2.104 4.121 0.121 16 0 "[ . 1 . 2]" 1
110 1 102 LYS HB3 1 102 LYS QE . . 4.370 3.568 2.271 4.151 . 0 0 "[ . 1 . 2]" 1
111 1 24 LYS HB2 1 24 LYS QE . . 3.740 3.813 3.663 3.878 0.138 19 0 "[ . 1 . 2]" 1
112 1 102 LYS HB2 1 102 LYS QD . . 3.080 3.140 2.733 3.271 0.191 17 0 "[ . 1 . 2]" 1
113 1 102 LYS HB3 1 102 LYS QD . . 2.400 2.235 2.171 2.314 . 0 0 "[ . 1 . 2]" 1
114 1 90 SER QB 1 126 LYS QD . . 4.840 4.323 2.322 4.946 0.106 3 0 "[ . 1 . 2]" 1
115 1 102 LYS QD 1 102 LYS HG3 . . 2.680 2.253 2.120 2.389 . 0 0 "[ . 1 . 2]" 1
116 1 102 LYS H 1 102 LYS HG2 . . 3.980 3.614 2.826 4.037 0.057 20 0 "[ . 1 . 2]" 1
117 1 102 LYS H 1 102 LYS HG3 . . 3.980 3.790 3.240 4.138 0.158 17 0 "[ . 1 . 2]" 1
118 1 102 LYS H 1 102 LYS HB3 . . 3.560 3.267 2.781 3.536 . 0 0 "[ . 1 . 2]" 1
119 1 109 SER H 1 109 SER HB3 . . 3.830 2.922 2.460 3.834 0.004 17 0 "[ . 1 . 2]" 1
120 1 110 ALA H 1 110 ALA MB . . 3.160 2.429 2.312 2.545 . 0 0 "[ . 1 . 2]" 1
121 1 107 ILE HA 1 107 ILE HG13 . . 3.640 3.671 3.650 3.692 0.052 9 0 "[ . 1 . 2]" 1
122 1 107 ILE HA 1 107 ILE MG . . 3.360 2.278 2.226 2.399 . 0 0 "[ . 1 . 2]" 1
123 1 107 ILE HA 1 107 ILE HG12 . . 4.110 4.058 3.880 4.191 0.081 12 0 "[ . 1 . 2]" 1
124 1 107 ILE HB 1 107 ILE HG12 . . 3.000 2.916 2.714 3.029 0.029 2 0 "[ . 1 . 2]" 1
125 1 107 ILE H 1 107 ILE MG . . 3.960 2.964 2.407 3.356 . 0 0 "[ . 1 . 2]" 1
126 1 107 ILE HG13 1 107 ILE MG . . 3.110 3.023 2.759 3.183 0.073 7 0 "[ . 1 . 2]" 1
127 1 69 CYS HA 1 107 ILE MD . . 4.410 4.033 3.372 4.445 0.035 2 0 "[ . 1 . 2]" 1
128 1 107 ILE MD 1 108 VAL HA . . 5.040 4.321 3.119 4.968 . 0 0 "[ . 1 . 2]" 1
129 1 107 ILE H 1 107 ILE MD . . 4.210 3.886 3.684 4.048 . 0 0 "[ . 1 . 2]" 1
130 1 107 ILE MD 1 107 ILE MG . . 3.000 2.636 2.232 3.041 0.041 12 0 "[ . 1 . 2]" 1
131 1 108 VAL HA 1 108 VAL MG2 . . 3.680 2.388 2.284 2.623 . 0 0 "[ . 1 . 2]" 1
132 1 108 VAL HA 1 108 VAL MG1 . . 3.680 3.094 2.316 3.295 . 0 0 "[ . 1 . 2]" 1
133 1 108 VAL H 1 108 VAL MG1 . . 3.790 2.562 2.116 3.873 0.083 4 0 "[ . 1 . 2]" 1
134 1 113 LEU HA 1 113 LEU HG . . 4.000 3.752 3.639 4.180 0.180 14 0 "[ . 1 . 2]" 1
135 1 113 LEU HA 1 113 LEU MD1 . . 3.960 2.352 2.060 3.727 . 0 0 "[ . 1 . 2]" 1
136 1 112 GLY H 1 113 LEU MD1 . . 5.500 3.614 2.001 5.277 . 0 0 "[ . 1 . 2]" 1
137 1 113 LEU HA 1 113 LEU MD2 . . 3.960 3.343 2.809 4.032 0.072 12 0 "[ . 1 . 2]" 1
138 1 115 ILE HA 1 115 ILE HG13 . . 4.240 3.793 2.532 4.251 0.011 11 0 "[ . 1 . 2]" 1
139 1 115 ILE HA 1 115 ILE HG12 . . 4.240 3.971 3.684 4.244 0.004 17 0 "[ . 1 . 2]" 1
140 1 115 ILE HA 1 115 ILE MG . . 2.980 2.320 2.157 2.547 . 0 0 "[ . 1 . 2]" 1
141 1 133 THR HA 1 133 THR MG . . 2.860 2.390 2.296 2.556 . 0 0 "[ . 1 . 2]" 1
142 1 134 GLN HA 1 134 GLN HG2 . . 3.430 2.772 2.360 2.909 . 0 0 "[ . 1 . 2]" 1
143 1 82 ALA H 1 134 GLN HG3 . . 5.280 4.939 4.625 5.303 0.023 16 0 "[ . 1 . 2]" 1
144 1 142 ILE HA 1 142 ILE MG . . 2.860 2.322 2.231 2.485 . 0 0 "[ . 1 . 2]" 1
145 1 142 ILE HA 1 142 ILE MD . . 4.080 3.807 3.785 3.940 . 0 0 "[ . 1 . 2]" 1
146 1 142 ILE H 1 142 ILE HB . . 4.130 3.734 2.197 3.892 . 0 0 "[ . 1 . 2]" 1
147 1 142 ILE H 1 142 ILE MG . . 3.380 3.102 2.540 3.588 0.208 1 0 "[ . 1 . 2]" 1
148 1 22 ILE MG 1 26 ALA MB . . 5.500 2.833 2.651 3.073 . 0 0 "[ . 1 . 2]" 1
149 1 142 ILE MD 1 142 ILE MG . . 2.400 2.130 2.020 2.428 0.028 1 0 "[ . 1 . 2]" 1
150 1 7 GLN H 1 7 GLN HB2 . . 3.670 2.995 2.111 3.328 . 0 0 "[ . 1 . 2]" 1
151 1 121 GLN H 1 121 GLN HB2 . . 4.180 2.902 1.898 3.882 . 0 0 "[ . 1 . 2]" 1
152 1 121 GLN H 1 121 GLN HB3 . . 4.180 3.202 2.419 3.760 . 0 0 "[ . 1 . 2]" 1
153 1 125 ILE HA 1 125 ILE HB . . 2.930 2.441 2.393 2.525 . 0 0 "[ . 1 . 2]" 1
154 1 125 ILE HB 1 125 ILE MD . . 3.520 2.323 2.102 3.265 . 0 0 "[ . 1 . 2]" 1
155 1 43 GLN QB 1 46 THR MG . . 5.500 3.359 3.313 3.427 . 0 0 "[ . 1 . 2]" 1
156 1 125 ILE HA 1 125 ILE HG13 . . 4.100 3.730 3.663 4.222 0.122 8 0 "[ . 1 . 2]" 1
157 1 125 ILE HA 1 125 ILE MG . . 2.900 2.284 2.216 2.357 . 0 0 "[ . 1 . 2]" 1
158 1 125 ILE HA 1 125 ILE MD . . 4.320 4.049 3.732 4.241 . 0 0 "[ . 1 . 2]" 1
159 1 125 ILE H 1 125 ILE MD . . 4.020 3.796 1.758 4.042 0.022 7 0 "[ . 1 . 2]" 1
160 1 126 LYS HA 1 126 LYS QE . . 5.500 4.030 2.187 4.697 . 0 0 "[ . 1 . 2]" 1
161 1 21 ASN HA 1 24 LYS QE . . 3.720 3.782 3.750 3.809 0.089 18 0 "[ . 1 . 2]" 1
162 1 126 LYS HA 1 126 LYS QD . . 3.950 3.872 3.484 4.020 0.070 5 0 "[ . 1 . 2]" 1
163 1 102 LYS QD 1 102 LYS HG2 . . 2.680 2.435 2.346 2.543 . 0 0 "[ . 1 . 2]" 1
164 1 126 LYS QE 1 126 LYS HG3 . . 3.660 2.789 2.250 3.503 . 0 0 "[ . 1 . 2]" 1
165 1 127 LEU HA 1 127 LEU HG . . 3.450 3.027 2.398 3.583 0.133 14 0 "[ . 1 . 2]" 1
166 1 127 LEU HA 1 127 LEU MD2 . . 4.010 2.471 2.156 3.967 . 0 0 "[ . 1 . 2]" 1
167 1 127 LEU H 1 127 LEU HG . . 4.340 3.110 2.162 4.412 0.072 1 0 "[ . 1 . 2]" 1
168 1 127 LEU H 1 127 LEU MD1 . . 4.460 3.813 2.271 4.505 0.045 2 0 "[ . 1 . 2]" 1
169 1 127 LEU HA 1 127 LEU MD1 . . 4.010 3.604 2.169 3.947 . 0 0 "[ . 1 . 2]" 1
170 1 131 LYS HA 1 131 LYS HG2 . . 3.780 3.284 3.172 3.464 . 0 0 "[ . 1 . 2]" 1
171 1 131 LYS H 1 131 LYS QE . . 5.070 5.006 4.070 5.116 0.046 2 0 "[ . 1 . 2]" 1
172 1 131 LYS HA 1 131 LYS QE . . 3.230 3.104 2.877 3.372 0.142 15 0 "[ . 1 . 2]" 1
173 1 131 LYS QE 1 131 LYS HG3 . . 2.700 2.346 2.200 2.712 0.012 15 0 "[ . 1 . 2]" 1
174 1 131 LYS QB 1 131 LYS QD . . 2.850 2.820 2.431 2.888 0.038 20 0 "[ . 1 . 2]" 1
175 1 23 VAL H 1 24 LYS QD . . 4.820 4.365 4.109 4.844 0.024 9 0 "[ . 1 . 2]" 1
176 1 131 LYS HA 1 131 LYS QD . . 3.420 2.363 2.058 2.536 . 0 0 "[ . 1 . 2]" 1
177 1 131 LYS H 1 131 LYS HG3 . . 5.160 4.255 4.064 4.369 . 0 0 "[ . 1 . 2]" 1
178 1 131 LYS QE 1 131 LYS HG2 . . 3.780 3.271 2.158 3.366 . 0 0 "[ . 1 . 2]" 1
179 1 132 ILE HA 1 132 ILE MD . . 3.090 2.239 2.131 2.312 . 0 0 "[ . 1 . 2]" 1
180 1 132 ILE H 1 132 ILE HG12 . . 4.010 2.077 1.901 2.571 . 0 0 "[ . 1 . 2]" 1
181 1 132 ILE H 1 132 ILE HG13 . . 4.010 3.584 3.444 3.949 . 0 0 "[ . 1 . 2]" 1
182 1 132 ILE HA 1 132 ILE HG12 . . 3.820 3.338 3.251 3.454 . 0 0 "[ . 1 . 2]" 1
183 1 132 ILE HA 1 132 ILE HG13 . . 3.820 3.826 3.740 3.850 0.030 2 0 "[ . 1 . 2]" 1
184 1 132 ILE MD 1 132 ILE MG . . 2.400 2.203 2.155 2.338 . 0 0 "[ . 1 . 2]" 1
185 1 132 ILE H 1 132 ILE MD . . 3.910 2.967 2.707 3.494 . 0 0 "[ . 1 . 2]" 1
186 1 135 VAL HA 1 135 VAL MG1 . . 2.970 3.109 2.669 3.150 0.180 12 0 "[ . 1 . 2]" 1
187 1 140 ARG HA 1 141 GLU H . . 3.440 2.900 2.044 3.515 0.075 3 0 "[ . 1 . 2]" 1
188 1 140 ARG HA 1 140 ARG HG3 . . 4.240 2.754 2.229 3.713 . 0 0 "[ . 1 . 2]" 1
189 1 140 ARG HB3 1 140 ARG QD . . 3.640 3.144 2.255 3.533 . 0 0 "[ . 1 . 2]" 1
190 1 140 ARG HG2 1 141 GLU H . . 4.480 4.075 3.025 4.561 0.081 10 0 "[ . 1 . 2]" 1
191 1 140 ARG HG3 1 141 GLU H . . 4.480 3.595 2.180 4.454 . 0 0 "[ . 1 . 2]" 1
192 1 140 ARG HA 1 140 ARG HG2 . . 4.240 3.344 2.418 3.809 . 0 0 "[ . 1 . 2]" 1
193 1 140 ARG HB3 1 140 ARG HG3 . . 2.960 2.592 2.424 2.778 . 0 0 "[ . 1 . 2]" 1
194 1 140 ARG HB2 1 140 ARG HG2 . . 2.960 2.588 2.418 2.763 . 0 0 "[ . 1 . 2]" 1
195 1 140 ARG HB2 1 140 ARG HG3 . . 2.960 2.847 2.291 3.041 0.081 8 0 "[ . 1 . 2]" 1
196 1 141 GLU HA 1 141 GLU HB2 . . 2.970 2.846 2.459 3.032 0.062 1 0 "[ . 1 . 2]" 1
197 1 141 GLU HA 1 141 GLU QG . . 3.560 2.488 2.096 3.483 . 0 0 "[ . 1 . 2]" 1
198 1 141 GLU HA 1 141 GLU HB3 . . 2.970 2.728 2.355 3.026 0.056 9 0 "[ . 1 . 2]" 1
199 1 95 CYS HA 1 96 THR HB . . 5.020 4.654 4.380 4.984 . 0 0 "[ . 1 . 2]" 1
200 1 81 THR HB 1 135 VAL HA . . 5.500 5.099 4.942 5.545 0.045 2 0 "[ . 1 . 2]" 1
201 1 19 VAL HA 1 22 ILE HA . . 5.120 5.112 4.997 5.225 0.105 13 0 "[ . 1 . 2]" 1
202 1 19 VAL HA 1 20 SER QB . . 5.340 5.177 5.134 5.389 0.049 6 0 "[ . 1 . 2]" 1
203 1 22 ILE HB 1 23 VAL HA . . 5.500 4.304 4.193 4.385 . 0 0 "[ . 1 . 2]" 1
204 1 23 VAL HA 1 27 ILE HG13 . . 3.960 3.902 3.827 4.013 0.053 8 0 "[ . 1 . 2]" 1
205 1 23 VAL HA 1 26 ALA MB . . 3.480 2.726 2.613 2.872 . 0 0 "[ . 1 . 2]" 1
206 1 67 VAL HA 1 68 THR H . . 3.430 2.175 2.100 2.255 . 0 0 "[ . 1 . 2]" 1
207 1 102 LYS HA 1 103 THR HB . . 5.270 4.985 4.746 5.161 . 0 0 "[ . 1 . 2]" 1
208 1 123 GLY HA3 1 124 PRO QD . . 3.520 2.350 2.083 3.529 0.009 13 0 "[ . 1 . 2]" 1
209 1 79 LEU H 1 79 LEU MD1 . . 4.490 2.993 2.059 4.342 . 0 0 "[ . 1 . 2]" 1
210 1 22 ILE HB 1 56 LEU HG . . 5.500 5.528 5.445 5.597 0.097 9 0 "[ . 1 . 2]" 1
211 1 22 ILE MG 1 56 LEU HG . . 5.280 4.437 4.231 4.794 . 0 0 "[ . 1 . 2]" 1
212 1 52 THR MG 1 56 LEU HG . . 5.500 4.002 3.864 4.201 . 0 0 "[ . 1 . 2]" 1
213 1 53 LEU QD 1 56 LEU HG . . 4.670 3.062 2.785 3.640 . 0 0 "[ . 1 . 2]" 1
214 1 57 THR MG 1 58 LYS H . . 3.830 3.634 3.168 3.831 0.001 20 0 "[ . 1 . 2]" 1
215 1 57 THR MG 1 62 PRO HA . . 4.820 2.907 2.019 3.988 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL MG1 1 17 ASP HB2 . . 4.890 3.651 2.745 4.213 . 0 0 "[ . 1 . 2]" 1
217 1 27 ILE HA 1 27 ILE MD . . 3.850 3.880 3.863 3.898 0.048 19 0 "[ . 1 . 2]" 1
218 1 27 ILE MD 1 28 GLU H . . 4.340 4.392 4.362 4.416 0.076 20 0 "[ . 1 . 2]" 1
219 1 27 ILE H 1 27 ILE MD . . 4.240 3.459 3.426 3.500 . 0 0 "[ . 1 . 2]" 1
220 1 6 TYR HA 1 6 TYR QD . . 3.740 2.830 2.328 3.772 0.032 1 0 "[ . 1 . 2]" 1
221 1 68 THR HB 1 69 CYS H . . 4.260 3.513 2.897 4.052 . 0 0 "[ . 1 . 2]" 1
222 1 49 VAL H 1 50 GLU H . . 3.590 2.777 2.741 2.828 . 0 0 "[ . 1 . 2]" 1
223 1 44 TRP H 1 45 THR H . . 4.330 2.687 2.638 2.737 . 0 0 "[ . 1 . 2]" 1
224 1 45 THR H 1 46 THR H . . 4.040 2.857 2.820 2.888 . 0 0 "[ . 1 . 2]" 1
225 1 42 ASN H 1 43 GLN H . . 2.960 2.737 2.668 2.833 . 0 0 "[ . 1 . 2]" 1
226 1 30 ALA H 1 31 ILE H . . 2.740 2.688 2.477 2.757 0.017 17 0 "[ . 1 . 2]" 1
227 1 115 ILE H 1 116 GLY H . . 3.270 2.643 2.279 2.966 . 0 0 "[ . 1 . 2]" 1
228 1 103 THR H 1 104 MET H . . 3.030 2.075 1.800 2.491 . 0 0 "[ . 1 . 2]" 1
229 1 21 ASN H 1 22 ILE H . . 3.880 2.215 2.121 2.408 . 0 0 "[ . 1 . 2]" 1
230 1 57 THR H 1 58 LYS H . . 3.720 2.628 2.532 2.710 . 0 0 "[ . 1 . 2]" 1
231 1 22 ILE H 1 23 VAL H . . 3.280 2.925 2.855 2.953 . 0 0 "[ . 1 . 2]" 1
232 1 100 GLU HA 1 101 ASN H . . 3.270 2.367 2.214 2.464 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLU H 1 19 VAL H . . 3.660 2.474 2.097 2.607 . 0 0 "[ . 1 . 2]" 1
234 1 54 SER H 1 55 GLN H . . 3.400 2.748 2.615 2.863 . 0 0 "[ . 1 . 2]" 1
235 1 55 GLN H 1 56 LEU H . . 3.710 2.867 2.724 3.018 . 0 0 "[ . 1 . 2]" 1
236 1 131 LYS QD 1 132 ILE H . . 5.500 4.109 3.480 4.443 . 0 0 "[ . 1 . 2]" 1
237 1 84 SER HA 1 133 THR H . . 4.330 3.297 3.057 3.540 . 0 0 "[ . 1 . 2]" 1
238 1 87 TRP HE1 1 89 SER HB3 . . 4.930 4.499 3.391 4.978 0.048 16 0 "[ . 1 . 2]" 1
239 1 86 PHE QD 1 87 TRP H . . 4.500 4.157 3.693 4.560 0.060 20 0 "[ . 1 . 2]" 1
240 1 81 THR HB 1 82 ALA H . . 4.090 4.130 4.094 4.176 0.086 13 0 "[ . 1 . 2]" 1
241 1 125 ILE H 1 125 ILE MG . . 3.060 2.708 2.193 3.086 0.026 2 0 "[ . 1 . 2]" 1
242 1 125 ILE H 1 125 ILE HG13 . . 3.500 2.615 2.069 3.572 0.072 8 0 "[ . 1 . 2]" 1
243 1 131 LYS HA 1 132 ILE H . . 3.330 2.455 2.215 2.650 . 0 0 "[ . 1 . 2]" 1
244 1 141 GLU HA 1 142 ILE H . . 3.390 2.407 2.049 2.660 . 0 0 "[ . 1 . 2]" 1
245 1 31 ILE H 1 32 GLY H . . 3.310 2.750 2.688 2.828 . 0 0 "[ . 1 . 2]" 1
246 1 27 ILE H 1 48 VAL MG2 . . 5.500 3.946 3.527 4.151 . 0 0 "[ . 1 . 2]" 1
247 1 22 ILE H 1 22 ILE HG13 . . 3.070 2.004 1.940 2.104 . 0 0 "[ . 1 . 2]" 1
248 1 107 ILE H 1 107 ILE HG12 . . 3.440 3.064 2.346 3.460 0.020 20 0 "[ . 1 . 2]" 1
249 1 103 THR H 1 103 THR MG . . 3.860 2.382 2.207 2.544 . 0 0 "[ . 1 . 2]" 1
250 1 118 GLY QA 1 119 SER H . . 2.670 2.311 2.123 2.794 0.124 17 0 "[ . 1 . 2]" 1
251 1 67 VAL H 1 110 ALA HA . . 4.870 4.762 4.667 4.907 0.037 17 0 "[ . 1 . 2]" 1
252 1 67 VAL H 1 67 VAL HB . . 4.150 3.931 3.820 4.022 . 0 0 "[ . 1 . 2]" 1
253 1 67 VAL H 1 68 THR H . . 4.520 4.310 4.259 4.381 . 0 0 "[ . 1 . 2]" 1
254 1 132 ILE H 1 132 ILE MG . . 3.950 3.803 3.765 3.883 . 0 0 "[ . 1 . 2]" 1
255 1 40 LYS H 1 40 LYS QG . . 3.790 2.905 2.428 3.471 . 0 0 "[ . 1 . 2]" 1
256 1 79 LEU H 1 79 LEU MD2 . . 4.490 3.082 1.827 4.059 . 0 0 "[ . 1 . 2]" 1
257 1 41 VAL H 1 42 ASN H . . 3.890 2.920 2.832 3.012 . 0 0 "[ . 1 . 2]" 1
258 1 26 ALA HA 1 28 GLU H . . 5.500 4.852 4.784 4.987 . 0 0 "[ . 1 . 2]" 1
259 1 28 GLU H 1 28 GLU HB2 . . 2.810 2.639 2.557 2.743 . 0 0 "[ . 1 . 2]" 1
260 1 40 LYS QG 1 41 VAL H . . 5.500 4.460 4.219 4.632 . 0 0 "[ . 1 . 2]" 1
261 1 48 VAL H 1 48 VAL MG1 . . 3.790 3.788 3.781 3.797 0.007 11 0 "[ . 1 . 2]" 1
262 1 50 GLU H 1 52 THR HB . . 4.650 4.561 4.485 4.632 . 0 0 "[ . 1 . 2]" 1
263 1 48 VAL HB 1 50 GLU H . . 4.760 4.585 4.522 4.652 . 0 0 "[ . 1 . 2]" 1
264 1 50 GLU H 1 51 GLN H . . 3.700 2.775 2.679 2.920 . 0 0 "[ . 1 . 2]" 1
265 1 135 VAL MG1 1 136 ASP H . . 4.760 4.389 4.239 4.458 . 0 0 "[ . 1 . 2]" 1
266 1 143 VAL H 1 143 VAL HB . . 3.710 2.966 2.560 3.764 0.054 8 0 "[ . 1 . 2]" 1
267 1 71 ILE MG 1 72 MET H . . 3.280 3.083 2.823 3.356 0.076 16 0 "[ . 1 . 2]" 1
268 1 82 ALA HA 1 83 SER H . . 3.370 2.171 2.125 2.228 . 0 0 "[ . 1 . 2]" 1
269 1 83 SER H 1 134 GLN HA . . 4.010 2.946 2.638 3.343 . 0 0 "[ . 1 . 2]" 1
270 1 82 ALA MB 1 83 SER H . . 3.620 3.044 2.637 3.422 . 0 0 "[ . 1 . 2]" 1
271 1 83 SER H 1 132 ILE MG . . 3.840 3.486 3.193 3.798 . 0 0 "[ . 1 . 2]" 1
272 1 113 LEU H 1 113 LEU MD2 . . 4.430 2.126 1.808 3.955 . 0 0 "[ . 1 . 2]" 1
273 1 9 ALA MB 1 10 GLU H . . 3.780 3.351 2.475 3.776 . 0 0 "[ . 1 . 2]" 1
274 1 10 GLU HA 1 12 THR H . . 4.670 3.936 3.365 4.592 . 0 0 "[ . 1 . 2]" 1
275 1 11 GLU HB3 1 12 THR H . . 4.270 4.153 3.792 4.285 0.015 16 0 "[ . 1 . 2]" 1
276 1 9 ALA MB 1 12 THR H . . 4.500 3.578 2.883 4.359 . 0 0 "[ . 1 . 2]" 1
277 1 19 VAL MG2 1 20 SER H . . 4.130 3.805 3.167 4.047 . 0 0 "[ . 1 . 2]" 1
278 1 19 VAL H 1 20 SER H . . 3.840 2.944 2.851 3.044 . 0 0 "[ . 1 . 2]" 1
279 1 25 GLU HB3 1 26 ALA H . . 4.070 4.087 4.078 4.103 0.033 4 0 "[ . 1 . 2]" 1
280 1 25 GLU H 1 26 ALA H . . 2.980 2.797 2.771 2.821 . 0 0 "[ . 1 . 2]" 1
281 1 28 GLU H 1 29 SER H . . 3.050 2.858 2.807 2.928 . 0 0 "[ . 1 . 2]" 1
282 1 29 SER QB 1 30 ALA H . . 4.040 2.715 2.444 3.595 . 0 0 "[ . 1 . 2]" 1
283 1 25 GLU HA 1 28 GLU H . . 4.650 3.811 3.680 3.957 . 0 0 "[ . 1 . 2]" 1
284 1 26 ALA MB 1 28 GLU H . . 5.500 4.855 4.811 4.935 . 0 0 "[ . 1 . 2]" 1
285 1 34 ASN H 1 44 TRP HZ2 . . 5.500 5.432 4.140 5.602 0.102 3 0 "[ . 1 . 2]" 1
286 1 32 GLY QA 1 34 ASN H . . 4.410 3.816 3.486 4.101 . 0 0 "[ . 1 . 2]" 1
287 1 33 GLY QA 1 34 ASN H . . 3.350 2.944 2.782 3.018 . 0 0 "[ . 1 . 2]" 1
288 1 31 ILE MG 1 34 ASN H . . 3.990 2.293 1.852 4.127 0.137 14 0 "[ . 1 . 2]" 1
289 1 33 GLY H 1 34 ASN H . . 3.200 2.685 2.564 2.990 . 0 0 "[ . 1 . 2]" 1
290 1 27 ILE MG 1 28 GLU H . . 3.940 3.029 2.941 3.124 . 0 0 "[ . 1 . 2]" 1
291 1 46 THR MG 1 47 ASN H . . 2.910 2.115 2.052 2.170 . 0 0 "[ . 1 . 2]" 1
292 1 44 TRP HB3 1 45 THR H . . 3.890 3.360 3.304 3.426 . 0 0 "[ . 1 . 2]" 1
293 1 44 TRP HB2 1 45 THR H . . 3.970 2.458 2.398 2.522 . 0 0 "[ . 1 . 2]" 1
294 1 47 ASN HB2 1 48 VAL H . . 4.030 3.972 3.933 4.012 . 0 0 "[ . 1 . 2]" 1
295 1 47 ASN HB3 1 48 VAL H . . 3.760 2.680 2.627 2.747 . 0 0 "[ . 1 . 2]" 1
296 1 26 ALA MB 1 52 THR H . . 4.560 4.514 4.257 4.598 0.038 14 0 "[ . 1 . 2]" 1
297 1 51 GLN H 1 51 GLN HB3 . . 3.700 3.696 3.642 3.734 0.034 14 0 "[ . 1 . 2]" 1
298 1 48 VAL HA 1 51 GLN H . . 3.950 3.747 3.604 3.847 . 0 0 "[ . 1 . 2]" 1
299 1 56 LEU H 1 56 LEU HG . . 4.130 2.121 2.013 2.297 . 0 0 "[ . 1 . 2]" 1
300 1 22 ILE MG 1 56 LEU H . . 4.330 3.929 3.670 4.138 . 0 0 "[ . 1 . 2]" 1
301 1 52 THR MG 1 56 LEU H . . 4.700 4.017 3.842 4.108 . 0 0 "[ . 1 . 2]" 1
302 1 59 LEU H 1 59 LEU HB3 . . 3.580 3.551 3.352 3.632 0.052 16 0 "[ . 1 . 2]" 1
303 1 56 LEU HA 1 59 LEU H . . 4.180 2.825 2.631 3.157 . 0 0 "[ . 1 . 2]" 1
304 1 57 THR H 1 59 LEU H . . 4.030 4.093 4.031 4.135 0.105 12 0 "[ . 1 . 2]" 1
305 1 57 THR HB 1 58 LYS H . . 4.080 2.956 2.753 3.165 . 0 0 "[ . 1 . 2]" 1
306 1 58 LYS H 1 58 LYS HB3 . . 3.830 3.773 3.745 3.811 . 0 0 "[ . 1 . 2]" 1
307 1 58 LYS H 1 58 LYS HB2 . . 3.570 2.872 2.827 2.966 . 0 0 "[ . 1 . 2]" 1
308 1 65 TYR H 1 65 TYR HB2 . . 3.960 3.197 2.279 3.952 . 0 0 "[ . 1 . 2]" 1
309 1 92 ASP HB2 1 93 GLY H . . 3.610 3.208 2.142 3.699 0.089 12 0 "[ . 1 . 2]" 1
310 1 92 ASP HB3 1 93 GLY H . . 3.610 2.253 1.851 3.365 . 0 0 "[ . 1 . 2]" 1
311 1 90 SER H 1 92 ASP H . . 4.370 4.272 3.849 4.452 0.082 14 0 "[ . 1 . 2]" 1
312 1 72 MET HA 1 73 GLN H . . 3.430 2.292 2.133 2.436 . 0 0 "[ . 1 . 2]" 1
313 1 81 THR H 1 82 ALA H . . 4.490 4.439 4.335 4.525 0.035 20 0 "[ . 1 . 2]" 1
314 1 81 THR MG 1 82 ALA H . . 4.080 2.552 2.460 2.880 . 0 0 "[ . 1 . 2]" 1
315 1 87 TRP H 1 88 ASP H . . 4.640 4.566 4.464 4.634 . 0 0 "[ . 1 . 2]" 1
316 1 70 VAL HA 2 82 ALA H . . 5.500 3.709 3.336 4.035 . 0 0 "[ . 1 . 2]" 1
317 1 88 ASP HA 1 90 SER H . . 5.300 4.481 3.692 4.777 . 0 0 "[ . 1 . 2]" 1
318 1 94 SER HB2 1 95 CYS H . . 3.900 3.231 2.298 3.940 0.040 3 0 "[ . 1 . 2]" 1
319 1 94 SER HB3 1 95 CYS H . . 3.900 3.416 2.207 4.014 0.114 14 0 "[ . 1 . 2]" 1
320 1 95 CYS HA 1 96 THR H . . 3.330 2.302 2.134 2.515 . 0 0 "[ . 1 . 2]" 1
321 1 109 SER H 1 109 SER HB2 . . 3.830 3.117 2.575 3.881 0.051 10 0 "[ . 1 . 2]" 1
322 1 99 TRP HB2 1 100 GLU H . . 4.480 4.435 3.915 4.561 0.081 16 0 "[ . 1 . 2]" 1
323 1 113 LEU H 1 113 LEU HG . . 4.140 3.879 2.373 4.193 0.053 13 0 "[ . 1 . 2]" 1
324 1 125 ILE MD 1 126 LYS H . . 4.980 4.420 3.594 5.000 0.020 2 0 "[ . 1 . 2]" 1
325 1 125 ILE HB 1 126 LYS H . . 4.140 3.051 2.249 3.925 . 0 0 "[ . 1 . 2]" 1
326 1 86 PHE H 1 86 PHE HB2 . . 4.070 3.699 2.489 4.002 . 0 0 "[ . 1 . 2]" 1
327 1 11 GLU HA 1 13 ALA H . . 4.410 4.113 3.411 4.519 0.109 13 0 "[ . 1 . 2]" 1
328 1 12 THR HB 1 13 ALA H . . 4.750 4.175 4.037 4.339 . 0 0 "[ . 1 . 2]" 1
329 1 13 ALA H 1 14 PHE H . . 4.880 4.606 4.470 4.682 . 0 0 "[ . 1 . 2]" 1
330 1 12 THR H 1 13 ALA H . . 3.530 2.396 1.986 2.823 . 0 0 "[ . 1 . 2]" 1
331 1 13 ALA HA 1 14 PHE H . . 3.540 2.271 2.125 2.500 . 0 0 "[ . 1 . 2]" 1
332 1 14 PHE H 1 60 GLY QA . . 4.730 2.919 1.923 3.846 . 0 0 "[ . 1 . 2]" 1
333 1 129 MET H 1 129 MET QG . . 4.250 3.492 2.248 4.214 . 0 0 "[ . 1 . 2]" 1
334 1 40 LYS H 1 41 VAL H . . 2.910 2.890 2.719 2.973 0.063 9 0 "[ . 1 . 2]" 1
335 1 46 THR H 1 46 THR MG . . 3.380 2.312 2.246 2.374 . 0 0 "[ . 1 . 2]" 1
336 1 53 LEU H 1 55 GLN H . . 4.240 4.169 4.051 4.326 0.086 11 0 "[ . 1 . 2]" 1
337 1 52 THR MG 1 53 LEU H . . 3.380 3.164 2.968 3.264 . 0 0 "[ . 1 . 2]" 1
338 1 53 LEU QD 1 54 SER H . . 4.070 3.802 3.677 4.089 0.019 11 0 "[ . 1 . 2]" 1
339 1 123 GLY H 1 124 PRO QD . . 4.540 3.894 2.450 4.462 . 0 0 "[ . 1 . 2]" 1
340 1 58 LYS HA 1 60 GLY H . . 4.990 3.837 3.334 4.144 . 0 0 "[ . 1 . 2]" 1
341 1 60 GLY H 1 61 LYS H . . 3.830 3.529 3.163 4.014 0.184 17 0 "[ . 1 . 2]" 1
342 1 70 VAL H 1 106 CYS HA . . 5.070 4.644 4.151 4.968 . 0 0 "[ . 1 . 2]" 1
343 1 70 VAL H 1 71 ILE MD . . 4.050 3.253 2.692 3.749 . 0 0 "[ . 1 . 2]" 1
344 1 70 VAL H 1 107 ILE MD . . 4.250 3.570 3.104 4.201 . 0 0 "[ . 1 . 2]" 1
345 1 72 MET QG 1 73 GLN H . . 3.990 2.915 1.887 4.117 0.127 16 0 "[ . 1 . 2]" 1
346 1 84 SER H 1 132 ILE MG . . 5.370 4.184 3.916 4.575 . 0 0 "[ . 1 . 2]" 1
347 1 84 SER H 1 132 ILE MD . . 5.500 4.598 4.347 4.908 . 0 0 "[ . 1 . 2]" 1
348 1 91 THR H 1 92 ASP H . . 3.480 2.737 2.470 2.928 . 0 0 "[ . 1 . 2]" 1
349 1 91 THR H 1 91 THR HA . . 2.940 2.832 2.761 2.908 . 0 0 "[ . 1 . 2]" 1
350 1 91 THR H 1 91 THR HB . . 3.540 3.007 2.779 3.452 . 0 0 "[ . 1 . 2]" 1
351 1 97 VAL HB 1 98 ARG H . . 4.720 3.934 3.446 4.290 . 0 0 "[ . 1 . 2]" 1
352 1 104 MET H 1 104 MET HG3 . . 4.360 3.319 2.696 4.109 . 0 0 "[ . 1 . 2]" 1
353 1 108 VAL H 1 109 SER H . . 4.620 4.352 4.079 4.485 . 0 0 "[ . 1 . 2]" 1
354 1 68 THR MG 1 109 SER H . . 5.500 4.708 3.239 5.527 0.027 8 0 "[ . 1 . 2]" 1
355 1 96 THR HA 1 110 ALA H . . 5.500 2.846 2.491 3.206 . 0 0 "[ . 1 . 2]" 1
356 1 96 THR MG 1 110 ALA H . . 4.900 4.705 4.428 4.962 0.062 18 0 "[ . 1 . 2]" 1
357 1 67 VAL HA 1 111 PHE H . . 4.140 3.600 3.345 3.843 . 0 0 "[ . 1 . 2]" 1
358 1 67 VAL MG1 1 111 PHE H . . 3.980 3.479 3.355 3.675 . 0 0 "[ . 1 . 2]" 1
359 1 17 ASP H 1 17 ASP HB3 . . 3.720 2.606 2.447 3.074 . 0 0 "[ . 1 . 2]" 1
360 1 113 LEU MD1 1 114 SER H . . 5.500 3.730 3.055 4.985 . 0 0 "[ . 1 . 2]" 1
361 1 113 LEU MD2 1 114 SER H . . 5.500 4.803 3.798 5.255 . 0 0 "[ . 1 . 2]" 1
362 1 115 ILE HB 1 116 GLY H . . 4.460 4.060 2.307 4.459 . 0 0 "[ . 1 . 2]" 1
363 1 141 GLU H 1 141 GLU HA . . 2.940 2.922 2.845 2.982 0.042 16 0 "[ . 1 . 2]" 1
364 1 22 ILE MG 1 26 ALA H . . 4.510 3.926 3.794 4.095 . 0 0 "[ . 1 . 2]" 1
365 1 46 THR H 1 47 ASN H . . 3.990 2.739 2.652 2.812 . 0 0 "[ . 1 . 2]" 1
366 1 53 LEU H 1 54 SER H . . 3.300 2.683 2.616 2.743 . 0 0 "[ . 1 . 2]" 1
367 1 141 GLU H 1 142 ILE H . . 5.500 4.550 4.369 4.630 . 0 0 "[ . 1 . 2]" 1
368 1 69 CYS H 2 82 ALA H . . 3.660 3.123 2.888 3.340 . 0 0 "[ . 1 . 2]" 1
369 1 82 ALA HA 1 135 VAL H . . 3.200 3.085 2.754 3.302 0.102 2 0 "[ . 1 . 2]" 1
370 1 6 TYR H 1 6 TYR QD . . 4.200 3.071 2.345 4.283 0.083 10 0 "[ . 1 . 2]" 1
371 1 7 GLN H 1 7 GLN QG . . 4.390 4.227 3.890 4.406 0.016 16 0 "[ . 1 . 2]" 1
372 1 23 VAL H 1 23 VAL HB . . 2.970 2.451 2.412 2.534 . 0 0 "[ . 1 . 2]" 1
373 1 22 ILE MG 1 23 VAL H . . 4.030 3.619 3.546 3.713 . 0 0 "[ . 1 . 2]" 1
374 1 24 LYS H 1 24 LYS HG3 . . 4.400 3.400 3.255 3.481 . 0 0 "[ . 1 . 2]" 1
375 1 24 LYS H 1 26 ALA MB . . 5.300 4.827 4.761 4.897 . 0 0 "[ . 1 . 2]" 1
376 1 27 ILE H 1 27 ILE HG12 . . 5.500 3.862 3.796 3.909 . 0 0 "[ . 1 . 2]" 1
377 1 28 GLU HB2 1 29 SER H . . 3.700 2.958 2.878 3.056 . 0 0 "[ . 1 . 2]" 1
378 1 49 VAL H 1 49 VAL MG1 . . 4.280 3.780 3.737 3.796 . 0 0 "[ . 1 . 2]" 1
379 1 58 LYS H 1 58 LYS HG2 . . 2.790 2.520 2.272 2.636 . 0 0 "[ . 1 . 2]" 1
380 1 58 LYS H 1 58 LYS HD2 . . 3.630 3.529 2.839 3.705 0.075 20 0 "[ . 1 . 2]" 1
381 1 134 GLN H 1 134 GLN HG2 . . 4.670 4.553 4.484 4.619 . 0 0 "[ . 1 . 2]" 1
382 1 134 GLN H 1 134 GLN HG3 . . 5.030 4.623 4.486 4.873 . 0 0 "[ . 1 . 2]" 1
383 1 126 LYS H 1 126 LYS QE . . 3.770 3.596 1.981 3.860 0.090 7 0 "[ . 1 . 2]" 1
384 1 131 LYS H 1 131 LYS QD . . 4.010 3.973 3.597 4.104 0.094 15 0 "[ . 1 . 2]" 1
385 1 135 VAL H 1 135 VAL HB . . 4.060 3.618 3.298 3.919 . 0 0 "[ . 1 . 2]" 1
386 1 87 TRP H 1 88 ASP HA . . 5.430 5.426 5.296 5.496 0.066 8 0 "[ . 1 . 2]" 1
387 1 13 ALA MB 1 14 PHE H . . 3.300 2.781 2.274 3.312 0.012 9 0 "[ . 1 . 2]" 1
388 1 87 TRP HE1 1 89 SER HB2 . . 4.930 3.970 2.730 4.948 0.018 10 0 "[ . 1 . 2]" 1
389 1 97 VAL H 1 97 VAL MG2 . . 4.350 2.646 2.523 2.842 . 0 0 "[ . 1 . 2]" 1
390 1 97 VAL H 1 108 VAL MG2 . . 4.400 4.274 3.996 4.459 0.059 18 0 "[ . 1 . 2]" 1
391 1 97 VAL H 1 108 VAL MG1 . . 4.400 3.073 2.648 4.391 . 0 0 "[ . 1 . 2]" 1
392 1 96 THR HA 1 97 VAL H . . 3.570 2.236 2.146 2.307 . 0 0 "[ . 1 . 2]" 1
393 1 97 VAL H 1 108 VAL H . . 3.820 3.276 3.095 3.495 . 0 0 "[ . 1 . 2]" 1
394 1 110 ALA HA 1 111 PHE H . . 3.550 2.172 2.123 2.263 . 0 0 "[ . 1 . 2]" 1
395 1 98 ARG HA 1 99 TRP H . . 2.930 2.104 2.052 2.172 . 0 0 "[ . 1 . 2]" 1
396 1 110 ALA MB 1 111 PHE H . . 3.630 2.783 2.327 3.063 . 0 0 "[ . 1 . 2]" 1
397 1 99 TRP H 1 99 TRP HB2 . . 3.090 2.580 2.409 2.704 . 0 0 "[ . 1 . 2]" 1
398 1 68 THR H 1 110 ALA HA . . 4.740 3.780 3.509 4.097 . 0 0 "[ . 1 . 2]" 1
399 1 107 ILE H 1 107 ILE HB . . 4.120 3.786 3.675 3.855 . 0 0 "[ . 1 . 2]" 1
400 1 67 VAL MG2 1 68 THR H . . 3.850 3.722 3.231 3.891 0.041 16 0 "[ . 1 . 2]" 1
401 1 106 CYS HA 1 107 ILE H . . 3.560 2.217 2.123 2.517 . 0 0 "[ . 1 . 2]" 1
402 1 81 THR H 1 81 THR HB . . 4.200 2.576 2.412 2.982 . 0 0 "[ . 1 . 2]" 1
403 1 97 VAL HB 1 108 VAL H . . 3.870 3.762 3.516 3.886 0.016 3 0 "[ . 1 . 2]" 1
404 1 108 VAL H 1 108 VAL HB . . 3.300 3.043 2.546 3.281 . 0 0 "[ . 1 . 2]" 1
405 1 107 ILE MG 1 108 VAL H . . 4.400 3.849 3.661 3.994 . 0 0 "[ . 1 . 2]" 1
406 1 65 TYR HA 1 66 ILE H . . 3.550 2.280 2.135 2.452 . 0 0 "[ . 1 . 2]" 1
407 1 136 ASP HA 1 137 PHE H . . 3.180 2.235 2.063 2.415 . 0 0 "[ . 1 . 2]" 1
408 1 69 CYS HA 1 70 VAL H . . 3.200 2.200 2.131 2.297 . 0 0 "[ . 1 . 2]" 1
409 1 86 PHE HA 1 87 TRP H . . 3.510 2.298 2.155 2.431 . 0 0 "[ . 1 . 2]" 1
410 1 86 PHE HA 1 86 PHE QD . . 4.330 3.620 2.926 3.789 . 0 0 "[ . 1 . 2]" 1
411 1 85 CYS HA 1 86 PHE QD . . 3.770 2.755 2.494 3.848 0.078 8 0 "[ . 1 . 2]" 1
412 1 32 GLY H 1 33 GLY H . . 3.900 2.690 2.461 3.323 . 0 0 "[ . 1 . 2]" 1
413 1 106 CYS H 1 106 CYS HB3 . . 3.880 3.334 2.138 3.805 . 0 0 "[ . 1 . 2]" 1
414 1 106 CYS H 1 106 CYS HB2 . . 3.880 3.601 2.636 3.877 . 0 0 "[ . 1 . 2]" 1
415 1 99 TRP HB3 1 106 CYS H . . 4.990 4.696 4.404 4.882 . 0 0 "[ . 1 . 2]" 1
416 1 86 PHE H 1 86 PHE HB3 . . 4.070 3.552 3.379 3.896 . 0 0 "[ . 1 . 2]" 1
417 1 96 THR H 1 96 THR HB . . 3.730 3.280 2.689 3.554 . 0 0 "[ . 1 . 2]" 1
418 1 95 CYS HB3 1 96 THR H . . 4.980 4.134 3.536 4.513 . 0 0 "[ . 1 . 2]" 1
419 1 51 GLN H 1 52 THR HB . . 4.480 4.080 3.857 4.380 . 0 0 "[ . 1 . 2]" 1
420 1 66 ILE MG 1 67 VAL H . . 3.880 3.448 3.288 3.597 . 0 0 "[ . 1 . 2]" 1
421 1 14 PHE QD 1 15 VAL H . . 4.950 3.052 2.293 3.753 . 0 0 "[ . 1 . 2]" 1
422 1 15 VAL H 1 18 GLU H . . 5.480 3.897 3.596 4.596 . 0 0 "[ . 1 . 2]" 1
423 1 16 VAL H 1 18 GLU H . . 4.130 4.215 4.155 4.290 0.160 19 0 "[ . 1 . 2]" 1
424 1 14 PHE QD 1 61 LYS H . . 5.070 3.522 2.447 5.183 0.113 19 0 "[ . 1 . 2]" 1
425 1 111 PHE H 1 111 PHE QD . . 3.710 3.305 2.985 3.738 0.028 7 0 "[ . 1 . 2]" 1
426 1 110 ALA HA 1 111 PHE QD . . 4.790 3.857 3.247 4.958 0.168 12 0 "[ . 1 . 2]" 1
427 1 43 GLN QG 1 44 TRP HD1 . . 4.090 2.977 2.774 3.401 . 0 0 "[ . 1 . 2]" 1
428 1 6 TYR H 1 6 TYR HB2 . . 3.810 2.676 2.205 3.848 0.038 13 0 "[ . 1 . 2]" 1
429 1 55 GLN HA 1 58 LYS H . . 4.310 3.496 3.330 3.611 . 0 0 "[ . 1 . 2]" 1
430 1 105 TYR HA 1 105 TYR QD . . 3.840 3.558 2.991 3.801 . 0 0 "[ . 1 . 2]" 1
431 1 105 TYR H 1 105 TYR QD . . 4.110 3.123 2.414 4.193 0.083 16 0 "[ . 1 . 2]" 1
432 1 86 PHE H 1 86 PHE QD . . 3.880 2.610 2.302 3.230 . 0 0 "[ . 1 . 2]" 1
433 1 111 PHE HB2 1 112 GLY H . . 5.500 4.115 3.176 4.543 . 0 0 "[ . 1 . 2]" 1
434 1 111 PHE HB3 1 112 GLY H . . 5.500 3.358 2.155 4.215 . 0 0 "[ . 1 . 2]" 1
435 1 15 VAL HA 1 16 VAL H . . 3.370 2.280 2.124 2.371 . 0 0 "[ . 1 . 2]" 1
436 1 95 CYS H 1 95 CYS HB3 . . 4.040 3.189 2.843 3.808 . 0 0 "[ . 1 . 2]" 1
437 1 95 CYS H 1 95 CYS HB2 . . 4.040 3.554 3.046 4.097 0.057 5 0 "[ . 1 . 2]" 1
438 1 44 TRP HD1 1 47 ASN H . . 5.230 5.204 5.095 5.266 0.036 4 0 "[ . 1 . 2]" 1
439 1 21 ASN H 1 21 ASN QB . . 3.160 2.375 2.283 2.450 . 0 0 "[ . 1 . 2]" 1
440 1 34 ASN H 1 34 ASN HB3 . . 3.620 3.368 2.882 3.630 0.010 10 0 "[ . 1 . 2]" 1
441 1 47 ASN H 1 47 ASN HB3 . . 3.880 2.492 2.461 2.510 . 0 0 "[ . 1 . 2]" 1
442 1 87 TRP H 1 87 TRP HD1 . . 3.860 3.812 2.637 3.984 0.124 10 0 "[ . 1 . 2]" 1
443 1 105 TYR QD 1 106 CYS H . . 4.450 3.807 2.946 4.312 . 0 0 "[ . 1 . 2]" 1
444 1 17 ASP H 1 18 GLU H . . 3.670 2.820 2.750 3.073 . 0 0 "[ . 1 . 2]" 1
445 1 36 TYR H 1 36 TYR QD . . 3.280 2.231 1.861 2.985 . 0 0 "[ . 1 . 2]" 1
446 1 90 SER H 1 91 THR H . . 4.230 2.352 2.144 2.490 . 0 0 "[ . 1 . 2]" 1
447 1 23 VAL H 1 24 LYS H . . 3.920 2.913 2.860 2.958 . 0 0 "[ . 1 . 2]" 1
448 1 24 LYS H 1 25 GLU H . . 3.800 2.685 2.621 2.767 . 0 0 "[ . 1 . 2]" 1
449 1 5 ASP H 1 6 TYR H . . 4.520 2.419 1.777 2.682 . 0 0 "[ . 1 . 2]" 1
450 1 26 ALA H 1 27 ILE H . . 4.740 2.711 2.661 2.754 . 0 0 "[ . 1 . 2]" 1
451 1 52 THR H 1 53 LEU H . . 3.180 2.940 2.857 3.030 . 0 0 "[ . 1 . 2]" 1
452 1 27 ILE H 1 28 GLU H . . 3.250 2.912 2.842 2.978 . 0 0 "[ . 1 . 2]" 1
453 1 29 SER H 1 30 ALA H . . 3.660 2.780 2.657 2.857 . 0 0 "[ . 1 . 2]" 1
454 1 20 SER H 1 21 ASN H . . 3.980 2.830 2.771 2.904 . 0 0 "[ . 1 . 2]" 1
455 1 16 VAL H 1 17 ASP H . . 3.730 2.809 2.666 2.976 . 0 0 "[ . 1 . 2]" 1
456 1 11 GLU H 1 12 THR H . . 3.810 2.710 2.369 2.922 . 0 0 "[ . 1 . 2]" 1
457 1 56 LEU H 1 57 THR H . . 3.590 2.745 2.689 2.812 . 0 0 "[ . 1 . 2]" 1
458 1 51 GLN H 1 52 THR H . . 3.870 2.191 2.028 2.367 . 0 0 "[ . 1 . 2]" 1
459 1 9 ALA H 1 10 GLU H . . 4.740 3.705 2.825 4.691 . 0 0 "[ . 1 . 2]" 1
460 1 125 ILE H 1 126 LYS H . . 5.240 4.457 3.907 4.670 . 0 0 "[ . 1 . 2]" 1
461 1 68 THR H 1 109 SER H . . 4.030 3.023 2.824 3.360 . 0 0 "[ . 1 . 2]" 1
462 1 48 VAL H 1 49 VAL H . . 3.120 2.833 2.780 2.886 . 0 0 "[ . 1 . 2]" 1
463 1 34 ASN H 1 35 ALA H . . 5.130 4.629 4.390 4.714 . 0 0 "[ . 1 . 2]" 1
464 1 142 ILE H 1 143 VAL H . . 5.460 4.472 4.398 4.647 . 0 0 "[ . 1 . 2]" 1
465 1 4 GLU H 1 5 ASP H . . 4.760 2.779 2.618 2.988 . 0 0 "[ . 1 . 2]" 1
466 1 73 GLN H 1 74 LYS H . . 4.710 4.259 2.337 4.695 . 0 0 "[ . 1 . 2]" 1
467 1 87 TRP HZ2 1 89 SER H . . 4.770 4.755 4.120 4.881 0.111 10 0 "[ . 1 . 2]" 1
468 1 70 VAL H 1 107 ILE H . . 3.670 3.335 2.972 3.727 0.057 14 0 "[ . 1 . 2]" 1
469 1 82 ALA H 1 83 SER H . . 4.320 4.299 4.161 4.373 0.053 8 0 "[ . 1 . 2]" 1
470 1 99 TRP H 1 106 CYS H . . 4.360 3.854 3.497 4.338 . 0 0 "[ . 1 . 2]" 1
471 1 64 LYS H 1 65 TYR H . . 4.560 4.173 3.274 4.566 0.006 18 0 "[ . 1 . 2]" 1
472 1 99 TRP H 1 107 ILE H . . 5.260 4.935 4.443 5.165 . 0 0 "[ . 1 . 2]" 1
473 1 68 THR H 1 111 PHE H . . 5.500 5.404 5.156 5.580 0.080 12 0 "[ . 1 . 2]" 1
474 1 83 SER H 1 134 GLN H . . 5.500 4.601 4.450 4.877 . 0 0 "[ . 1 . 2]" 1
475 1 14 PHE HA 1 15 VAL H . . 3.310 2.443 2.183 2.565 . 0 0 "[ . 1 . 2]" 1
476 1 63 PHE HB2 1 64 LYS H . . 4.030 3.657 2.158 4.039 0.009 13 0 "[ . 1 . 2]" 1
477 1 14 PHE H 1 14 PHE QD . . 4.490 2.501 1.924 4.144 . 0 0 "[ . 1 . 2]" 1
478 1 14 PHE QD 1 60 GLY QA . . 4.110 2.301 2.076 2.941 . 0 0 "[ . 1 . 2]" 1
479 1 16 VAL HA 1 18 GLU H . . 4.030 3.914 3.358 4.046 0.016 5 0 "[ . 1 . 2]" 1
480 1 18 GLU H 1 18 GLU HB2 . . 3.560 2.874 2.746 3.385 . 0 0 "[ . 1 . 2]" 1
481 1 43 GLN H 1 43 GLN QB . . 3.300 2.717 2.658 2.783 . 0 0 "[ . 1 . 2]" 1
482 1 35 ALA H 1 36 TYR H . . 5.500 4.393 4.068 4.654 . 0 0 "[ . 1 . 2]" 1
483 1 94 SER H 1 95 CYS H . . 5.500 4.363 4.219 4.467 . 0 0 "[ . 1 . 2]" 1
484 1 131 LYS H 1 132 ILE H . . 5.500 4.440 4.384 4.510 . 0 0 "[ . 1 . 2]" 1
485 1 15 VAL H 1 16 VAL H . . 5.170 4.433 4.346 4.556 . 0 0 "[ . 1 . 2]" 1
486 1 126 LYS H 1 127 LEU H . . 5.000 4.428 4.104 4.660 . 0 0 "[ . 1 . 2]" 1
487 1 42 ASN H 1 44 TRP H . . 3.770 3.824 3.785 3.855 0.085 1 0 "[ . 1 . 2]" 1
488 1 59 LEU H 1 60 GLY H . . 3.720 2.599 2.346 2.848 . 0 0 "[ . 1 . 2]" 1
489 1 44 TRP H 1 46 THR H . . 3.740 3.863 3.836 3.897 0.157 9 0 "[ . 1 . 2]" 1
490 1 44 TRP H 1 44 TRP HD1 . . 3.900 3.678 3.576 3.758 . 0 0 "[ . 1 . 2]" 1
491 1 35 ALA H 1 36 TYR QD . . 5.500 5.562 5.441 5.642 0.142 16 0 "[ . 1 . 2]" 1
492 1 41 VAL H 1 44 TRP HZ3 . . 4.200 4.230 4.135 4.270 0.070 16 0 "[ . 1 . 2]" 1
493 1 41 VAL H 1 44 TRP HE3 . . 4.020 3.903 3.752 4.036 0.016 8 0 "[ . 1 . 2]" 1
494 1 22 ILE H 1 24 LYS H . . 4.410 4.447 4.377 4.468 0.058 11 0 "[ . 1 . 2]" 1
495 1 89 SER H 1 91 THR H . . 3.600 3.193 2.817 3.683 0.083 9 0 "[ . 1 . 2]" 1
496 1 137 PHE H 1 137 PHE QD . . 3.860 3.484 1.852 3.934 0.074 1 0 "[ . 1 . 2]" 1
497 1 77 ALA H 1 77 ALA HA . . 2.930 2.894 2.738 2.974 0.044 15 0 "[ . 1 . 2]" 1
498 1 126 LYS HA 1 127 LEU H . . 3.400 2.278 2.013 2.515 . 0 0 "[ . 1 . 2]" 1
499 1 17 ASP HA 1 20 SER H . . 4.120 3.918 3.742 4.142 0.022 18 0 "[ . 1 . 2]" 1
500 1 101 ASN HA 1 102 LYS H . . 3.500 2.636 2.565 2.734 . 0 0 "[ . 1 . 2]" 1
501 1 97 VAL HA 1 98 ARG H . . 3.230 2.125 2.034 2.270 . 0 0 "[ . 1 . 2]" 1
502 1 9 ALA HA 1 10 GLU H . . 3.280 2.718 2.102 3.354 0.074 9 0 "[ . 1 . 2]" 1
503 1 8 ALA HA 1 9 ALA H . . 3.300 2.536 2.150 3.351 0.051 9 0 "[ . 1 . 2]" 1
504 1 21 ASN HA 1 24 LYS H . . 3.550 3.165 3.061 3.300 . 0 0 "[ . 1 . 2]" 1
505 1 124 PRO HA 1 125 ILE H . . 3.330 2.304 2.141 2.469 . 0 0 "[ . 1 . 2]" 1
506 1 7 GLN HA 1 8 ALA H . . 3.200 2.436 2.106 2.712 . 0 0 "[ . 1 . 2]" 1
507 1 4 GLU HA 1 6 TYR H . . 4.280 3.974 3.555 4.636 0.356 10 0 "[ . 1 . 2]" 1
508 1 91 THR HB 1 92 ASP H . . 3.630 2.726 2.362 3.311 . 0 0 "[ . 1 . 2]" 1
509 1 142 ILE HA 1 143 VAL H . . 2.850 2.385 2.147 2.562 . 0 0 "[ . 1 . 2]" 1
510 1 18 GLU HA 1 21 ASN H . . 4.610 3.642 3.470 3.773 . 0 0 "[ . 1 . 2]" 1
511 1 14 PHE QD 1 15 VAL HA . . 5.310 4.202 3.509 5.429 0.119 18 0 "[ . 1 . 2]" 1
512 1 15 VAL HA 1 18 GLU H . . 5.500 4.729 4.620 5.107 . 0 0 "[ . 1 . 2]" 1
513 1 43 GLN HA 1 44 TRP HD1 . . 5.500 5.545 5.455 5.576 0.076 5 0 "[ . 1 . 2]" 1
514 1 52 THR H 1 52 THR HB . . 3.790 2.369 2.302 2.408 . 0 0 "[ . 1 . 2]" 1
515 1 115 ILE H 1 116 GLY QA . . 5.040 4.451 4.083 4.803 . 0 0 "[ . 1 . 2]" 1
516 1 49 VAL H 1 52 THR HB . . 5.020 3.967 3.919 4.017 . 0 0 "[ . 1 . 2]" 1
517 1 55 GLN HA 1 59 LEU H . . 5.500 4.631 4.448 4.719 . 0 0 "[ . 1 . 2]" 1
518 1 57 THR HA 1 59 LEU H . . 5.500 4.396 4.225 4.557 . 0 0 "[ . 1 . 2]" 1
519 1 59 LEU H 1 60 GLY QA . . 5.500 4.579 4.371 4.850 . 0 0 "[ . 1 . 2]" 1
520 1 20 SER QB 1 21 ASN H . . 3.940 3.175 2.969 3.374 . 0 0 "[ . 1 . 2]" 1
521 1 93 GLY QA 1 94 SER H . . 2.400 2.165 2.112 2.261 . 0 0 "[ . 1 . 2]" 1
522 1 135 VAL HA 1 136 ASP H . . 2.400 2.157 2.091 2.189 . 0 0 "[ . 1 . 2]" 1
523 1 57 THR H 1 57 THR HA . . 2.850 2.874 2.852 2.903 0.053 11 0 "[ . 1 . 2]" 1
524 1 60 GLY QA 1 61 LYS H . . 2.400 2.125 2.041 2.225 . 0 0 "[ . 1 . 2]" 1
525 1 52 THR HB 1 53 LEU H . . 2.400 2.510 2.489 2.531 0.131 1 0 "[ . 1 . 2]" 1
526 1 118 GLY H 1 118 GLY QA . . 2.400 2.280 2.179 2.497 0.097 7 0 "[ . 1 . 2]" 1
527 1 116 GLY H 1 116 GLY QA . . 2.570 2.260 2.193 2.427 . 0 0 "[ . 1 . 2]" 1
528 1 117 GLY H 1 117 GLY QA . . 2.400 2.256 2.206 2.427 0.027 10 0 "[ . 1 . 2]" 1
529 1 20 SER QB 1 23 VAL H . . 5.500 5.540 5.456 5.577 0.077 5 0 "[ . 1 . 2]" 1
530 1 57 THR H 1 57 THR HB . . 4.030 2.402 2.240 2.494 . 0 0 "[ . 1 . 2]" 1
531 1 20 SER H 1 20 SER QB . . 3.250 2.205 2.176 2.441 . 0 0 "[ . 1 . 2]" 1
532 1 114 SER HA 1 116 GLY H . . 4.810 3.634 3.247 4.644 . 0 0 "[ . 1 . 2]" 1
533 1 24 LYS HA 1 26 ALA H . . 5.500 4.413 4.331 4.476 . 0 0 "[ . 1 . 2]" 1
534 1 53 LEU HA 1 55 GLN H . . 5.500 4.411 4.192 4.655 . 0 0 "[ . 1 . 2]" 1
535 1 124 PRO QD 1 125 ILE H . . 5.280 4.941 4.869 4.993 . 0 0 "[ . 1 . 2]" 1
536 1 22 ILE HA 1 26 ALA H . . 4.730 3.897 3.808 4.025 . 0 0 "[ . 1 . 2]" 1
537 1 28 GLU HA 1 31 ILE H . . 3.960 3.170 3.102 3.261 . 0 0 "[ . 1 . 2]" 1
538 1 23 VAL HA 1 26 ALA H . . 3.850 3.683 3.578 3.781 . 0 0 "[ . 1 . 2]" 1
539 1 49 VAL HA 1 53 LEU H . . 5.230 2.570 2.464 2.712 . 0 0 "[ . 1 . 2]" 1
540 1 48 VAL HA 1 52 THR H . . 4.280 3.744 3.640 3.850 . 0 0 "[ . 1 . 2]" 1
541 1 49 VAL HA 1 52 THR H . . 4.690 3.647 3.529 3.744 . 0 0 "[ . 1 . 2]" 1
542 1 16 VAL HA 1 20 SER H . . 4.170 3.716 3.415 3.920 . 0 0 "[ . 1 . 2]" 1
543 1 41 VAL HA 1 45 THR H . . 5.500 3.611 3.476 3.744 . 0 0 "[ . 1 . 2]" 1
544 1 22 ILE HA 1 25 GLU H . . 3.990 3.729 3.644 3.891 . 0 0 "[ . 1 . 2]" 1
545 1 24 LYS HA 1 99 TRP HZ2 . . 4.630 3.089 2.887 3.411 . 0 0 "[ . 1 . 2]" 1
546 1 22 ILE H 1 23 VAL HA . . 5.480 5.494 5.451 5.514 0.034 8 0 "[ . 1 . 2]" 1
547 1 44 TRP HB3 1 46 THR H . . 5.440 5.359 5.282 5.444 0.004 7 0 "[ . 1 . 2]" 1
548 1 44 TRP HB3 1 44 TRP HD1 . . 3.600 3.384 3.342 3.438 . 0 0 "[ . 1 . 2]" 1
549 1 31 ILE HA 1 44 TRP HZ2 . . 4.000 2.992 2.613 3.249 . 0 0 "[ . 1 . 2]" 1
550 1 19 VAL HA 1 21 ASN H . . 5.090 3.825 3.701 4.031 . 0 0 "[ . 1 . 2]" 1
551 1 31 ILE HA 1 34 ASN H . . 5.500 4.701 4.240 5.191 . 0 0 "[ . 1 . 2]" 1
552 1 140 ARG H 1 140 ARG QD . . 5.130 4.219 2.605 4.882 . 0 0 "[ . 1 . 2]" 1
553 1 140 ARG QD 1 141 GLU H . . 5.430 4.069 2.302 5.060 . 0 0 "[ . 1 . 2]" 1
554 1 23 VAL HA 1 27 ILE H . . 5.500 3.843 3.770 3.929 . 0 0 "[ . 1 . 2]" 1
555 1 40 LYS QE 1 44 TRP HE1 . . 4.560 3.339 2.327 4.337 . 0 0 "[ . 1 . 2]" 1
556 1 65 TYR H 1 65 TYR HB3 . . 3.960 3.297 2.791 3.810 . 0 0 "[ . 1 . 2]" 1
557 1 17 ASP H 1 17 ASP HB2 . . 3.720 2.344 2.058 2.470 . 0 0 "[ . 1 . 2]" 1
558 1 95 CYS HB2 1 96 THR H . . 4.980 4.006 2.368 4.578 . 0 0 "[ . 1 . 2]" 1
559 1 104 MET H 1 104 MET HG2 . . 4.360 2.846 1.957 4.379 0.019 14 0 "[ . 1 . 2]" 1
560 1 129 MET QG 1 130 ALA H . . 4.540 3.105 1.873 4.421 . 0 0 "[ . 1 . 2]" 1
561 1 24 LYS H 1 24 LYS QE . . 3.670 3.420 3.219 3.547 . 0 0 "[ . 1 . 2]" 1
562 1 55 GLN H 1 55 GLN HG3 . . 4.620 4.497 4.466 4.514 . 0 0 "[ . 1 . 2]" 1
563 1 42 ASN H 1 42 ASN HB3 . . 3.760 2.836 2.381 3.648 . 0 0 "[ . 1 . 2]" 1
564 1 99 TRP HB3 1 99 TRP HE3 . . 3.690 2.488 2.445 2.553 . 0 0 "[ . 1 . 2]" 1
565 1 27 ILE HA 1 30 ALA H . . 4.810 3.500 3.420 3.593 . 0 0 "[ . 1 . 2]" 1
566 1 44 TRP HB2 1 44 TRP HE3 . . 3.570 2.690 2.646 2.752 . 0 0 "[ . 1 . 2]" 1
567 1 55 GLN HG3 1 59 LEU H . . 4.720 4.641 4.460 4.771 0.051 11 0 "[ . 1 . 2]" 1
568 1 41 VAL H 1 44 TRP HB2 . . 4.910 4.807 4.688 4.930 0.020 13 0 "[ . 1 . 2]" 1
569 1 43 GLN QB 1 44 TRP HE1 . . 5.500 5.533 5.384 5.581 0.081 13 0 "[ . 1 . 2]" 1
570 1 51 GLN H 1 51 GLN HG3 . . 3.810 3.002 2.579 3.907 0.097 13 0 "[ . 1 . 2]" 1
571 1 43 GLN QG 1 45 THR H . . 5.500 5.073 4.966 5.233 . 0 0 "[ . 1 . 2]" 1
572 1 73 GLN QG 1 105 TYR H . . 5.500 4.520 2.943 5.548 0.048 10 0 "[ . 1 . 2]" 1
573 1 129 MET QB 1 130 ALA H . . 5.410 3.084 2.125 3.965 . 0 0 "[ . 1 . 2]" 1
574 1 134 GLN HG2 1 136 ASP H . . 5.500 3.970 3.277 5.422 . 0 0 "[ . 1 . 2]" 1
575 1 70 VAL H 1 70 VAL HB . . 3.700 2.936 2.697 3.408 . 0 0 "[ . 1 . 2]" 1
576 1 16 VAL H 1 16 VAL HB . . 2.800 2.542 2.362 2.796 . 0 0 "[ . 1 . 2]" 1
577 1 131 LYS QB 1 132 ILE H . . 3.790 2.269 2.095 2.729 . 0 0 "[ . 1 . 2]" 1
578 1 131 LYS H 1 131 LYS QB . . 2.880 2.716 2.674 2.790 . 0 0 "[ . 1 . 2]" 1
579 1 15 VAL HB 1 17 ASP H . . 5.340 4.801 4.580 4.934 . 0 0 "[ . 1 . 2]" 1
580 1 130 ALA H 1 131 LYS QD . . 4.490 4.160 3.483 4.558 0.068 19 0 "[ . 1 . 2]" 1
581 1 19 VAL HB 1 20 SER H . . 4.140 2.742 2.402 4.117 . 0 0 "[ . 1 . 2]" 1
582 1 55 GLN HG2 1 56 LEU H . . 4.430 3.004 2.852 3.110 . 0 0 "[ . 1 . 2]" 1
583 1 25 GLU HG3 1 26 ALA H . . 2.750 2.280 2.216 2.358 . 0 0 "[ . 1 . 2]" 1
584 1 7 GLN QG 1 8 ALA H . . 5.030 2.113 1.789 2.547 . 0 0 "[ . 1 . 2]" 1
585 1 4 GLU QG 1 6 TYR H . . 5.360 4.530 2.553 4.925 . 0 0 "[ . 1 . 2]" 1
586 1 4 GLU QG 1 5 ASP H . . 4.540 2.617 1.601 3.098 . 0 0 "[ . 1 . 2]" 1
587 1 11 GLU HB2 1 12 THR H . . 4.270 3.987 2.616 4.151 . 0 0 "[ . 1 . 2]" 1
588 1 25 GLU H 1 25 GLU HB3 . . 2.750 2.489 2.446 2.526 . 0 0 "[ . 1 . 2]" 1
589 1 25 GLU HB2 1 26 ALA H . . 4.360 4.126 4.080 4.181 . 0 0 "[ . 1 . 2]" 1
590 1 27 ILE H 1 27 ILE HG13 . . 3.700 2.484 2.413 2.537 . 0 0 "[ . 1 . 2]" 1
591 1 97 VAL H 1 108 VAL HB . . 5.120 4.822 2.968 5.312 0.192 10 0 "[ . 1 . 2]" 1
592 1 48 VAL H 1 48 VAL HB . . 3.110 2.468 2.435 2.500 . 0 0 "[ . 1 . 2]" 1
593 1 55 GLN HB3 1 56 LEU H . . 5.500 2.804 2.745 2.862 . 0 0 "[ . 1 . 2]" 1
594 1 53 LEU H 1 53 LEU HB3 . . 3.430 2.786 2.657 2.915 . 0 0 "[ . 1 . 2]" 1
595 1 51 GLN HB2 1 52 THR H . . 2.610 2.637 2.595 2.677 0.067 2 0 "[ . 1 . 2]" 1
596 1 102 LYS QD 1 103 THR H . . 4.440 4.285 3.580 4.551 0.111 18 0 "[ . 1 . 2]" 1
597 1 24 LYS QD 1 25 GLU H . . 4.960 4.079 3.962 4.284 . 0 0 "[ . 1 . 2]" 1
598 1 58 LYS HB3 1 60 GLY H . . 5.500 5.438 5.041 5.577 0.077 10 0 "[ . 1 . 2]" 1
599 1 59 LEU HG 1 60 GLY H . . 5.500 4.877 4.506 5.109 . 0 0 "[ . 1 . 2]" 1
600 1 55 GLN HG2 1 58 LYS H . . 5.440 5.326 5.269 5.417 . 0 0 "[ . 1 . 2]" 1
601 1 22 ILE H 1 25 GLU HG3 . . 5.500 5.019 4.916 5.140 . 0 0 "[ . 1 . 2]" 1
602 1 22 ILE H 1 23 VAL HB . . 5.500 5.272 5.201 5.368 . 0 0 "[ . 1 . 2]" 1
603 1 43 GLN QB 1 44 TRP HD1 . . 4.800 4.425 4.266 4.575 . 0 0 "[ . 1 . 2]" 1
604 1 59 LEU H 1 59 LEU HG . . 3.560 2.942 2.455 3.515 . 0 0 "[ . 1 . 2]" 1
605 1 22 ILE H 1 22 ILE HB . . 3.050 2.764 2.682 2.843 . 0 0 "[ . 1 . 2]" 1
606 1 40 LYS QB 1 44 TRP HE3 . . 3.880 3.666 3.517 3.911 0.031 18 0 "[ . 1 . 2]" 1
607 1 27 ILE HG13 1 99 TRP HZ2 . . 4.930 4.872 4.611 4.994 0.064 13 0 "[ . 1 . 2]" 1
608 1 58 LYS HG2 1 59 LEU H . . 4.340 4.192 4.047 4.311 . 0 0 "[ . 1 . 2]" 1
609 1 41 VAL H 1 43 GLN QG . . 5.200 4.762 4.531 5.042 . 0 0 "[ . 1 . 2]" 1
610 1 40 LYS QB 1 41 VAL H . . 5.110 2.711 2.503 3.121 . 0 0 "[ . 1 . 2]" 1
611 1 26 ALA H 1 27 ILE HG13 . . 4.950 4.854 4.786 4.944 . 0 0 "[ . 1 . 2]" 1
612 1 57 THR H 1 58 LYS HG2 . . 4.930 4.395 4.135 4.576 . 0 0 "[ . 1 . 2]" 1
613 1 57 THR H 1 58 LYS HD3 . . 5.440 4.524 4.156 5.439 . 0 0 "[ . 1 . 2]" 1
614 1 11 GLU H 1 11 GLU QG . . 3.210 2.164 2.039 2.313 . 0 0 "[ . 1 . 2]" 1
615 1 121 GLN H 1 121 GLN HG2 . . 3.860 2.993 2.093 3.792 . 0 0 "[ . 1 . 2]" 1
616 1 81 THR H 1 81 THR MG . . 4.120 3.856 3.802 3.992 . 0 0 "[ . 1 . 2]" 1
617 1 112 GLY H 1 113 LEU MD2 . . 5.500 3.522 2.649 4.213 . 0 0 "[ . 1 . 2]" 1
618 1 16 VAL MG1 1 17 ASP H . . 4.370 3.178 2.184 3.852 . 0 0 "[ . 1 . 2]" 1
619 1 71 ILE MD 1 72 MET H . . 4.190 4.243 4.193 4.331 0.141 11 0 "[ . 1 . 2]" 1
620 1 49 VAL MG2 1 50 GLU H . . 4.650 4.066 4.028 4.100 . 0 0 "[ . 1 . 2]" 1
621 1 132 ILE MG 1 134 GLN H . . 4.140 3.585 3.309 4.052 . 0 0 "[ . 1 . 2]" 1
622 1 66 ILE H 1 67 VAL MG1 . . 5.500 4.071 3.804 4.453 . 0 0 "[ . 1 . 2]" 1
623 1 127 LEU MD2 1 128 GLY H . . 5.500 3.585 2.437 4.171 . 0 0 "[ . 1 . 2]" 1
624 1 35 ALA MB 1 36 TYR H . . 3.820 2.311 1.880 3.510 . 0 0 "[ . 1 . 2]" 1
625 1 127 LEU HB3 1 128 GLY H . . 4.170 3.087 2.176 4.035 . 0 0 "[ . 1 . 2]" 1
626 1 16 VAL MG2 1 17 ASP H . . 4.370 3.811 3.318 4.009 . 0 0 "[ . 1 . 2]" 1
627 1 67 VAL H 1 67 VAL MG2 . . 2.400 2.411 2.320 2.469 0.069 9 0 "[ . 1 . 2]" 1
628 1 115 ILE MD 1 116 GLY H . . 3.730 2.870 2.018 3.850 0.120 18 0 "[ . 1 . 2]" 1
629 1 48 VAL H 1 48 VAL MG2 . . 2.400 2.213 2.151 2.260 . 0 0 "[ . 1 . 2]" 1
630 1 53 LEU H 1 53 LEU QD . . 3.710 3.579 3.477 3.661 . 0 0 "[ . 1 . 2]" 1
631 1 77 ALA MB 1 78 GLY H . . 4.230 3.039 2.078 3.768 . 0 0 "[ . 1 . 2]" 1
632 1 35 ALA H 1 35 ALA MB . . 3.230 2.201 2.132 2.295 . 0 0 "[ . 1 . 2]" 1
633 1 66 ILE HB 1 67 VAL H . . 4.270 4.089 3.917 4.271 0.001 12 0 "[ . 1 . 2]" 1
634 1 102 LYS H 1 103 THR MG . . 5.500 4.778 4.504 5.075 . 0 0 "[ . 1 . 2]" 1
635 1 103 THR MG 1 104 MET H . . 4.790 2.997 2.144 3.812 . 0 0 "[ . 1 . 2]" 1
636 1 45 THR H 1 45 THR MG . . 3.810 2.311 2.237 2.394 . 0 0 "[ . 1 . 2]" 1
637 1 53 LEU HB2 1 54 SER H . . 4.100 3.710 3.625 3.895 . 0 0 "[ . 1 . 2]" 1
638 1 11 GLU H 1 12 THR MG . . 4.570 4.192 3.545 4.560 . 0 0 "[ . 1 . 2]" 1
639 1 46 THR MG 1 48 VAL H . . 4.950 4.462 4.411 4.511 . 0 0 "[ . 1 . 2]" 1
640 1 130 ALA MB 1 131 LYS H . . 3.810 3.124 2.067 3.676 . 0 0 "[ . 1 . 2]" 1
641 1 77 ALA H 1 77 ALA MB . . 3.650 2.270 2.165 2.550 . 0 0 "[ . 1 . 2]" 1
642 1 58 LYS HD2 1 59 LEU H . . 5.070 5.076 4.836 5.157 0.087 15 0 "[ . 1 . 2]" 1
643 1 13 ALA H 1 13 ALA MB . . 3.000 2.225 2.165 2.356 . 0 0 "[ . 1 . 2]" 1
644 1 24 LYS HG2 1 99 TRP HZ2 . . 5.040 4.023 3.601 4.327 . 0 0 "[ . 1 . 2]" 1
645 1 43 GLN H 1 45 THR MG . . 4.500 4.534 4.514 4.572 0.072 12 0 "[ . 1 . 2]" 1
646 1 31 ILE HB 1 32 GLY H . . 4.020 2.821 2.600 3.057 . 0 0 "[ . 1 . 2]" 1
647 1 56 LEU HB3 1 57 THR H . . 4.350 4.168 4.068 4.231 . 0 0 "[ . 1 . 2]" 1
648 1 12 THR MG 1 13 ALA H . . 2.740 2.669 2.429 2.763 0.023 8 0 "[ . 1 . 2]" 1
649 1 43 GLN H 1 46 THR MG . . 5.500 4.319 4.279 4.372 . 0 0 "[ . 1 . 2]" 1
650 1 44 TRP H 1 46 THR MG . . 5.500 4.178 4.131 4.261 . 0 0 "[ . 1 . 2]" 1
651 1 12 THR H 1 12 THR MG . . 3.740 2.290 1.917 2.568 . 0 0 "[ . 1 . 2]" 1
652 1 91 THR MG 1 92 ASP H . . 4.330 3.993 3.743 4.323 . 0 0 "[ . 1 . 2]" 1
653 1 143 VAL H 1 143 VAL QG . . 3.100 2.458 1.904 2.907 . 0 0 "[ . 1 . 2]" 1
654 1 59 LEU MD1 1 60 GLY H . . 5.500 4.981 4.680 5.432 . 0 0 "[ . 1 . 2]" 1
655 1 59 LEU MD2 1 60 GLY H . . 5.500 4.849 4.647 4.996 . 0 0 "[ . 1 . 2]" 1
656 1 142 ILE MD 1 143 VAL H . . 5.500 4.784 4.587 5.338 . 0 0 "[ . 1 . 2]" 1
657 1 8 ALA H 1 8 ALA MB . . 3.140 2.302 2.026 2.495 . 0 0 "[ . 1 . 2]" 1
658 1 26 ALA MB 1 27 ILE H . . 3.460 2.605 2.529 2.684 . 0 0 "[ . 1 . 2]" 1
659 1 9 ALA H 1 9 ALA MB . . 3.000 2.202 2.155 2.323 . 0 0 "[ . 1 . 2]" 1
660 1 105 TYR QD 1 107 ILE HG13 . . 5.500 5.004 3.828 5.560 0.060 1 0 "[ . 1 . 2]" 1
661 1 105 TYR QD 1 107 ILE MD . . 5.500 5.084 4.636 5.534 0.034 19 0 "[ . 1 . 2]" 1
662 1 41 VAL H 1 41 VAL MG1 . . 3.980 3.680 2.193 3.853 . 0 0 "[ . 1 . 2]" 1
663 1 105 TYR QD 1 107 ILE MG . . 4.020 2.789 2.152 3.883 . 0 0 "[ . 1 . 2]" 1
664 1 15 VAL MG1 1 18 GLU H . . 4.520 2.219 1.821 2.943 . 0 0 "[ . 1 . 2]" 1
665 1 15 VAL MG2 1 18 GLU H . . 4.520 3.612 2.941 4.266 . 0 0 "[ . 1 . 2]" 1
666 1 81 THR HA 1 82 ALA MB . . 3.860 3.884 3.848 3.934 0.074 8 0 "[ . 1 . 2]" 1
667 1 71 ILE MD 1 107 ILE H . . 5.300 3.085 2.141 4.019 . 0 0 "[ . 1 . 2]" 1
668 1 49 VAL MG1 1 50 GLU H . . 4.650 3.756 3.715 3.811 . 0 0 "[ . 1 . 2]" 1
669 1 131 LYS HG3 1 132 ILE H . . 5.380 4.740 4.571 5.079 . 0 0 "[ . 1 . 2]" 1
670 1 131 LYS HG2 1 132 ILE H . . 5.500 4.883 4.781 5.017 . 0 0 "[ . 1 . 2]" 1
671 1 142 ILE H 1 142 ILE MD . . 2.400 2.052 1.758 2.459 0.059 1 0 "[ . 1 . 2]" 1
672 1 59 LEU H 1 59 LEU HB2 . . 3.580 2.282 2.088 2.457 . 0 0 "[ . 1 . 2]" 1
673 1 70 VAL H 1 70 VAL MG2 . . 4.200 3.185 2.737 4.029 . 0 0 "[ . 1 . 2]" 1
674 1 142 ILE H 1 143 VAL QG . . 5.500 4.880 4.251 5.536 0.036 2 0 "[ . 1 . 2]" 1
675 1 30 ALA H 1 48 VAL MG2 . . 4.760 3.841 3.720 3.998 . 0 0 "[ . 1 . 2]" 1
676 1 30 ALA MB 1 44 TRP HD1 . . 5.130 3.630 3.019 4.246 . 0 0 "[ . 1 . 2]" 1
677 1 111 PHE QD 1 113 LEU MD2 . . 4.930 3.872 2.532 4.588 . 0 0 "[ . 1 . 2]" 1
678 1 20 SER H 1 22 ILE MD . . 5.500 5.346 5.160 5.511 0.011 13 0 "[ . 1 . 2]" 1
679 1 127 LEU MD1 1 128 GLY H . . 5.500 4.469 2.038 5.293 . 0 0 "[ . 1 . 2]" 1
680 1 127 LEU HB2 1 128 GLY H . . 4.170 4.024 3.639 4.264 0.094 4 0 "[ . 1 . 2]" 1
681 1 19 VAL MG1 1 20 SER H . . 4.130 3.289 2.162 3.659 . 0 0 "[ . 1 . 2]" 1
682 1 27 ILE MD 1 99 TRP HZ2 . . 3.590 2.531 2.369 2.686 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE MD 1 44 TRP HH2 . . 4.160 3.860 3.715 4.085 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE HG13 1 32 GLY H . . 5.250 4.496 4.326 4.699 . 0 0 "[ . 1 . 2]" 1
685 1 31 ILE MD 1 32 GLY H . . 5.500 4.816 4.521 5.079 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MD 1 99 TRP HZ2 . . 4.890 4.624 4.375 4.777 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MD 1 99 TRP HH2 . . 5.000 2.781 2.576 2.910 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE MG 1 44 TRP HZ2 . . 3.700 3.080 2.781 3.357 . 0 0 "[ . 1 . 2]" 1
689 1 31 ILE MG 1 44 TRP HH2 . . 4.910 2.584 2.430 2.823 . 0 0 "[ . 1 . 2]" 1
690 1 31 ILE HG12 1 99 TRP HH2 . . 5.500 5.517 5.246 5.571 0.071 15 0 "[ . 1 . 2]" 1
691 1 135 VAL H 1 135 VAL MG2 . . 4.320 3.759 2.730 3.880 . 0 0 "[ . 1 . 2]" 1
692 1 27 ILE H 1 48 VAL MG1 . . 4.640 2.882 2.806 3.058 . 0 0 "[ . 1 . 2]" 1
693 1 48 VAL MG1 1 52 THR H . . 3.740 3.669 3.475 3.756 0.016 16 0 "[ . 1 . 2]" 1
694 1 31 ILE HG12 1 44 TRP HH2 . . 5.500 3.408 3.266 3.526 . 0 0 "[ . 1 . 2]" 1
695 1 22 ILE MD 1 59 LEU H . . 5.380 5.127 4.651 5.389 0.009 15 0 "[ . 1 . 2]" 1
696 1 22 ILE H 1 22 ILE MD . . 3.890 3.667 3.610 3.766 . 0 0 "[ . 1 . 2]" 1
697 1 31 ILE HG12 1 44 TRP HZ2 . . 4.180 3.556 3.403 3.725 . 0 0 "[ . 1 . 2]" 1
698 1 31 ILE HG12 1 44 TRP HE3 . . 4.000 3.296 3.171 3.489 . 0 0 "[ . 1 . 2]" 1
699 1 135 VAL MG2 1 137 PHE QD . . 5.470 3.747 2.675 5.574 0.104 3 0 "[ . 1 . 2]" 1
700 1 31 ILE MD 1 99 TRP HZ3 . . 4.350 2.935 2.652 3.132 . 0 0 "[ . 1 . 2]" 1
701 1 31 ILE HG13 1 44 TRP HD1 . . 5.360 5.287 5.096 5.418 0.058 17 0 "[ . 1 . 2]" 1
702 1 31 ILE MD 1 44 TRP HZ3 . . 4.070 3.037 2.805 3.285 . 0 0 "[ . 1 . 2]" 1
703 1 31 ILE MG 1 44 TRP HE3 . . 5.430 4.732 4.585 4.909 . 0 0 "[ . 1 . 2]" 1
704 1 31 ILE HG13 1 44 TRP HE3 . . 5.500 4.165 4.009 4.250 . 0 0 "[ . 1 . 2]" 1
705 1 41 VAL H 1 41 VAL MG2 . . 3.980 2.194 1.896 3.788 . 0 0 "[ . 1 . 2]" 1
706 1 31 ILE H 1 31 ILE HG13 . . 3.570 2.308 2.169 2.514 . 0 0 "[ . 1 . 2]" 1
707 1 66 ILE MD 2 111 PHE QD . . 3.800 3.664 3.075 3.848 0.048 18 0 "[ . 1 . 2]" 1
708 1 56 LEU HB2 1 57 THR H . . 4.350 3.995 3.907 4.084 . 0 0 "[ . 1 . 2]" 1
709 1 27 ILE MG 1 31 ILE H . . 5.020 3.829 3.748 3.895 . 0 0 "[ . 1 . 2]" 1
710 1 27 ILE MG 1 30 ALA H . . 5.500 4.615 4.476 4.717 . 0 0 "[ . 1 . 2]" 1
711 1 27 ILE MG 1 99 TRP HZ2 . . 4.280 3.099 2.920 3.250 . 0 0 "[ . 1 . 2]" 1
712 1 27 ILE MG 1 44 TRP HD1 . . 5.460 5.197 5.082 5.313 . 0 0 "[ . 1 . 2]" 1
713 1 27 ILE MG 1 99 TRP HE1 . . 5.210 4.665 4.413 4.919 . 0 0 "[ . 1 . 2]" 1
714 1 81 THR H 1 134 GLN HG2 . . 4.230 4.152 3.550 4.269 0.039 13 0 "[ . 1 . 2]" 1
715 1 98 ARG QB 1 108 VAL H . . 5.500 4.551 4.267 5.184 . 0 0 "[ . 1 . 2]" 1
716 1 67 VAL HB 1 68 THR H . . 4.480 2.716 2.505 2.881 . 0 0 "[ . 1 . 2]" 1
717 1 107 ILE HB 1 108 VAL H . . 3.500 3.177 2.606 3.544 0.044 11 0 "[ . 1 . 2]" 1
718 1 98 ARG QB 1 99 TRP H . . 3.890 3.363 3.079 3.695 . 0 0 "[ . 1 . 2]" 1
719 1 97 VAL H 1 97 VAL HB . . 3.730 2.956 2.831 3.060 . 0 0 "[ . 1 . 2]" 1
720 1 97 VAL H 1 97 VAL MG1 . . 4.350 3.985 3.949 4.026 . 0 0 "[ . 1 . 2]" 1
721 1 53 LEU QD 1 111 PHE H . . 4.850 4.311 3.758 4.562 . 0 0 "[ . 1 . 2]" 1
722 1 66 ILE MG 1 68 THR H . . 4.980 4.594 4.192 4.978 . 0 0 "[ . 1 . 2]" 1
723 1 68 THR H 1 68 THR MG . . 4.040 3.168 2.451 3.726 . 0 0 "[ . 1 . 2]" 1
724 1 68 THR MG 1 69 CYS H . . 3.500 3.512 3.309 3.576 0.076 13 0 "[ . 1 . 2]" 1
725 1 68 THR H 1 110 ALA MB . . 5.500 4.648 4.173 5.165 . 0 0 "[ . 1 . 2]" 1
726 1 71 ILE MG 1 107 ILE H . . 5.500 4.766 3.940 5.439 . 0 0 "[ . 1 . 2]" 1
727 1 107 ILE H 1 107 ILE HG13 . . 2.840 2.290 2.017 2.750 . 0 0 "[ . 1 . 2]" 1
728 1 108 VAL H 1 108 VAL MG2 . . 3.790 3.610 2.400 3.912 0.122 14 0 "[ . 1 . 2]" 1
729 1 46 THR HA 1 50 GLU H . . 4.870 4.364 4.114 4.466 . 0 0 "[ . 1 . 2]" 1
730 1 141 GLU H 1 142 ILE HA . . 5.500 5.411 4.790 5.626 0.126 5 0 "[ . 1 . 2]" 1
731 1 90 SER QB 1 126 LYS H . . 4.560 3.469 2.254 4.479 . 0 0 "[ . 1 . 2]" 1
732 1 47 ASN H 1 47 ASN HB2 . . 3.910 2.453 2.430 2.490 . 0 0 "[ . 1 . 2]" 1
733 1 53 LEU HA 1 56 LEU H . . 5.470 3.594 3.508 3.675 . 0 0 "[ . 1 . 2]" 1
734 1 52 THR HB 1 54 SER H . . 4.870 4.916 4.866 4.950 0.080 18 0 "[ . 1 . 2]" 1
735 1 56 LEU H 1 57 THR HB . . 4.850 4.791 4.700 4.881 0.031 14 0 "[ . 1 . 2]" 1
736 1 94 SER HA 1 111 PHE QD . . 4.670 3.888 2.608 4.736 0.066 12 0 "[ . 1 . 2]" 1
737 1 20 SER H 1 22 ILE HB . . 5.500 5.474 5.359 5.533 0.033 1 0 "[ . 1 . 2]" 1
738 1 49 VAL HB 1 50 GLU H . . 3.030 3.032 2.983 3.056 0.026 8 0 "[ . 1 . 2]" 1
739 1 16 VAL HB 1 17 ASP H . . 4.120 3.024 2.563 4.068 . 0 0 "[ . 1 . 2]" 1
740 1 66 ILE H 1 66 ILE HB . . 3.650 3.105 2.770 3.351 . 0 0 "[ . 1 . 2]" 1
741 1 132 ILE H 1 132 ILE HB . . 3.260 2.583 2.479 2.650 . 0 0 "[ . 1 . 2]" 1
742 1 63 PHE HB3 1 64 LYS H . . 4.030 2.924 2.092 4.183 0.153 11 0 "[ . 1 . 2]" 1
743 1 51 GLN H 1 51 GLN HG2 . . 3.810 3.485 2.387 3.851 0.041 19 0 "[ . 1 . 2]" 1
744 1 15 VAL H 1 18 GLU QG . . 5.500 3.633 2.127 4.837 . 0 0 "[ . 1 . 2]" 1
745 1 24 LYS H 1 25 GLU HG2 . . 5.250 5.257 5.216 5.283 0.033 13 0 "[ . 1 . 2]" 1
746 1 23 VAL HB 1 24 LYS H . . 4.040 4.039 3.995 4.089 0.049 9 0 "[ . 1 . 2]" 1
747 1 24 LYS H 1 24 LYS HB2 . . 2.400 2.434 2.416 2.446 0.046 11 0 "[ . 1 . 2]" 1
748 1 98 ARG H 1 98 ARG QB . . 3.310 3.002 2.723 3.170 . 0 0 "[ . 1 . 2]" 1
749 1 24 LYS H 1 24 LYS QD . . 3.000 2.350 2.140 2.844 . 0 0 "[ . 1 . 2]" 1
750 1 24 LYS H 1 24 LYS HG2 . . 4.670 4.294 4.255 4.331 . 0 0 "[ . 1 . 2]" 1
751 1 141 GLU H 1 141 GLU QG . . 4.810 3.350 1.924 4.189 . 0 0 "[ . 1 . 2]" 1
752 1 4 GLU H 1 4 GLU QG . . 2.900 2.200 1.987 2.644 . 0 0 "[ . 1 . 2]" 1
753 1 4 GLU H 1 4 GLU HB3 . . 3.090 2.602 2.379 3.088 . 0 0 "[ . 1 . 2]" 1
754 1 126 LYS H 1 126 LYS QD . . 2.680 2.343 1.971 2.734 0.054 20 0 "[ . 1 . 2]" 1
755 1 56 LEU H 1 58 LYS HG2 . . 5.100 5.068 4.841 5.125 0.025 4 0 "[ . 1 . 2]" 1
756 1 131 LYS H 1 131 LYS HG2 . . 3.650 2.976 2.658 3.154 . 0 0 "[ . 1 . 2]" 1
757 1 22 ILE HB 1 23 VAL H . . 3.180 2.681 2.622 2.791 . 0 0 "[ . 1 . 2]" 1
758 1 53 LEU HB3 1 54 SER H . . 3.880 2.751 2.662 2.852 . 0 0 "[ . 1 . 2]" 1
759 1 133 THR MG 1 134 GLN H . . 3.770 3.479 2.992 3.620 . 0 0 "[ . 1 . 2]" 1
760 1 113 LEU H 1 113 LEU MD1 . . 4.430 3.077 2.433 3.661 . 0 0 "[ . 1 . 2]" 1
761 1 48 VAL MG1 1 50 GLU H . . 4.500 4.547 4.504 4.574 0.074 14 0 "[ . 1 . 2]" 1
762 1 81 THR H 1 135 VAL MG2 . . 4.390 3.888 2.311 4.159 . 0 0 "[ . 1 . 2]" 1
763 1 95 CYS H 1 110 ALA MB . . 5.060 2.953 2.286 3.665 . 0 0 "[ . 1 . 2]" 1
764 1 83 SER H 1 133 THR MG . . 4.720 4.267 4.081 4.470 . 0 0 "[ . 1 . 2]" 1
765 1 16 VAL H 1 16 VAL MG2 . . 3.790 2.514 1.917 3.798 0.008 6 0 "[ . 1 . 2]" 1
766 1 90 SER H 1 91 THR MG . . 5.500 5.329 4.166 5.580 0.080 6 0 "[ . 1 . 2]" 1
767 1 83 SER H 1 135 VAL MG1 . . 5.480 4.172 3.673 4.557 . 0 0 "[ . 1 . 2]" 1
768 1 53 LEU QD 1 110 ALA H . . 5.500 4.956 4.544 5.521 0.021 1 0 "[ . 1 . 2]" 1
769 1 24 LYS H 1 27 ILE HB . . 5.500 5.306 5.188 5.444 . 0 0 "[ . 1 . 2]" 1
770 1 97 VAL MG2 1 98 ARG H . . 4.170 4.219 4.100 4.283 0.113 17 0 "[ . 1 . 2]" 1
771 1 24 LYS H 1 27 ILE MD . . 4.780 4.316 4.168 4.444 . 0 0 "[ . 1 . 2]" 1
772 1 45 THR MG 1 47 ASN H . . 5.010 4.823 4.696 4.919 . 0 0 "[ . 1 . 2]" 1
773 1 125 ILE MG 1 126 LYS H . . 4.210 3.815 3.356 4.104 . 0 0 "[ . 1 . 2]" 1
774 1 30 ALA MB 1 48 VAL H . . 4.750 4.700 4.455 4.777 0.027 14 0 "[ . 1 . 2]" 1
775 1 135 VAL MG2 1 136 ASP H . . 4.230 3.348 3.010 3.555 . 0 0 "[ . 1 . 2]" 1
776 1 22 ILE MD 1 56 LEU H . . 5.190 4.308 3.971 4.615 . 0 0 "[ . 1 . 2]" 1
777 1 133 THR MG 1 135 VAL H . . 5.500 4.757 3.892 4.999 . 0 0 "[ . 1 . 2]" 1
778 1 23 VAL H 1 23 VAL MG1 . . 3.930 2.328 2.244 2.401 . 0 0 "[ . 1 . 2]" 1
779 1 135 VAL H 1 135 VAL MG1 . . 2.780 2.266 1.975 2.472 . 0 0 "[ . 1 . 2]" 1
780 1 125 ILE H 1 125 ILE HG12 . . 3.500 2.716 2.086 3.324 . 0 0 "[ . 1 . 2]" 1
781 1 66 ILE H 1 66 ILE MG . . 4.300 2.434 2.207 2.779 . 0 0 "[ . 1 . 2]" 1
782 1 24 LYS HA 1 27 ILE H . . 5.500 3.483 3.384 3.560 . 0 0 "[ . 1 . 2]" 1
783 1 6 TYR H 1 6 TYR HB3 . . 3.810 3.544 2.781 3.845 0.035 10 0 "[ . 1 . 2]" 1
784 1 52 THR HA 1 55 GLN H . . 4.600 3.395 3.266 3.520 . 0 0 "[ . 1 . 2]" 1
785 1 39 SER HA 1 42 ASN H . . 5.300 3.622 3.273 4.941 . 0 0 "[ . 1 . 2]" 1
786 1 28 GLU H 1 29 SER QB . . 5.500 4.613 4.483 5.112 . 0 0 "[ . 1 . 2]" 1
787 1 55 GLN H 1 57 THR HB . . 5.500 5.056 4.799 5.324 . 0 0 "[ . 1 . 2]" 1
788 1 42 ASN H 1 42 ASN HB2 . . 3.760 2.541 2.237 2.738 . 0 0 "[ . 1 . 2]" 1
789 1 24 LYS HA 1 28 GLU H . . 4.290 3.785 3.571 3.941 . 0 0 "[ . 1 . 2]" 1
790 1 23 VAL HA 1 25 GLU H . . 5.430 4.829 4.790 4.885 . 0 0 "[ . 1 . 2]" 1
791 1 27 ILE HA 1 31 ILE H . . 4.520 4.128 4.029 4.292 . 0 0 "[ . 1 . 2]" 1
792 1 46 THR HA 1 49 VAL H . . 4.600 4.246 4.022 4.367 . 0 0 "[ . 1 . 2]" 1
793 1 41 VAL HA 1 44 TRP H . . 3.610 3.326 3.131 3.482 . 0 0 "[ . 1 . 2]" 1
794 1 28 GLU HA 1 32 GLY H . . 4.610 4.153 3.743 4.771 0.161 17 0 "[ . 1 . 2]" 1
795 1 27 ILE H 1 30 ALA MB . . 5.190 4.892 4.687 5.037 . 0 0 "[ . 1 . 2]" 1
796 1 27 ILE H 1 27 ILE HB . . 3.720 2.533 2.481 2.580 . 0 0 "[ . 1 . 2]" 1
797 1 53 LEU H 1 53 LEU HB2 . . 3.910 2.203 2.158 2.334 . 0 0 "[ . 1 . 2]" 1
798 1 29 SER H 1 30 ALA MB . . 4.880 4.416 4.297 4.493 . 0 0 "[ . 1 . 2]" 1
799 1 28 GLU HB3 1 29 SER H . . 4.080 3.910 3.819 3.989 . 0 0 "[ . 1 . 2]" 1
800 1 25 GLU HG2 1 26 ALA H . . 4.830 3.936 3.882 4.010 . 0 0 "[ . 1 . 2]" 1
801 1 26 ALA H 1 26 ALA MB . . 3.120 2.243 2.207 2.266 . 0 0 "[ . 1 . 2]" 1
802 1 28 GLU H 1 28 GLU HB3 . . 3.640 3.651 3.635 3.668 0.028 7 0 "[ . 1 . 2]" 1
803 1 121 GLN H 1 121 GLN HG3 . . 3.860 3.285 2.314 3.970 0.110 9 0 "[ . 1 . 2]" 1
804 1 25 GLU H 1 25 GLU HG3 . . 3.000 2.739 2.640 2.830 . 0 0 "[ . 1 . 2]" 1
805 1 25 GLU H 1 25 GLU HG2 . . 3.730 3.210 3.140 3.271 . 0 0 "[ . 1 . 2]" 1
806 1 51 GLN HB3 1 52 THR H . . 4.170 3.666 3.581 3.770 . 0 0 "[ . 1 . 2]" 1
807 1 24 LYS HB3 1 25 GLU H . . 3.700 3.340 3.298 3.390 . 0 0 "[ . 1 . 2]" 1
808 1 24 LYS HB2 1 25 GLU H . . 3.320 2.604 2.567 2.664 . 0 0 "[ . 1 . 2]" 1
809 1 102 LYS HB2 1 103 THR H . . 3.770 2.996 2.281 3.536 . 0 0 "[ . 1 . 2]" 1
810 1 11 GLU QG 1 13 ALA H . . 5.500 4.561 4.259 5.123 . 0 0 "[ . 1 . 2]" 1
811 1 30 ALA MB 1 31 ILE H . . 3.530 2.720 2.600 2.845 . 0 0 "[ . 1 . 2]" 1
812 1 142 ILE HB 1 143 VAL H . . 4.320 2.399 2.060 4.300 . 0 0 "[ . 1 . 2]" 1
813 1 30 ALA H 1 30 ALA MB . . 3.260 2.218 2.186 2.246 . 0 0 "[ . 1 . 2]" 1
814 1 30 ALA H 1 31 ILE HB . . 5.500 4.846 4.606 4.979 . 0 0 "[ . 1 . 2]" 1
815 1 43 GLN QG 1 44 TRP H . . 4.070 2.677 2.578 2.880 . 0 0 "[ . 1 . 2]" 1
816 1 43 GLN H 1 43 GLN QG . . 2.720 2.366 2.025 2.620 . 0 0 "[ . 1 . 2]" 1
817 1 18 GLU QG 1 19 VAL H . . 3.240 3.211 2.950 3.393 0.153 9 0 "[ . 1 . 2]" 1
818 1 19 VAL H 1 19 VAL HB . . 3.580 2.607 2.320 2.867 . 0 0 "[ . 1 . 2]" 1
819 1 30 ALA MB 1 32 GLY H . . 4.650 4.611 4.491 4.693 0.043 11 0 "[ . 1 . 2]" 1
820 1 55 GLN HG2 1 59 LEU H . . 5.120 5.099 4.975 5.154 0.034 20 0 "[ . 1 . 2]" 1
821 1 58 LYS HB2 1 59 LEU H . . 3.510 3.011 2.763 3.247 . 0 0 "[ . 1 . 2]" 1
822 1 132 ILE MG 1 133 THR H . . 4.050 2.461 2.276 2.700 . 0 0 "[ . 1 . 2]" 1
823 1 57 THR MG 1 63 PHE H . . 3.790 2.707 1.766 3.723 . 0 0 "[ . 1 . 2]" 1
824 1 127 LEU H 1 127 LEU MD2 . . 4.460 3.867 3.078 4.518 0.058 16 0 "[ . 1 . 2]" 1
825 1 26 ALA H 1 52 THR MG . . 5.450 4.269 3.928 4.768 . 0 0 "[ . 1 . 2]" 1
826 1 52 THR MG 1 55 GLN H . . 5.260 4.764 4.608 4.906 . 0 0 "[ . 1 . 2]" 1
827 1 26 ALA H 1 27 ILE MD . . 5.200 5.237 5.219 5.266 0.066 4 0 "[ . 1 . 2]" 1
828 1 31 ILE H 1 31 ILE HG12 . . 3.840 3.567 3.411 3.713 . 0 0 "[ . 1 . 2]" 1
829 1 31 ILE H 1 31 ILE MG . . 3.850 3.818 3.756 3.853 0.003 5 0 "[ . 1 . 2]" 1
830 1 48 VAL MG1 1 49 VAL H . . 4.670 2.933 2.835 3.068 . 0 0 "[ . 1 . 2]" 1
831 1 27 ILE MD 1 99 TRP HE3 . . 4.770 4.553 4.367 4.756 . 0 0 "[ . 1 . 2]" 1
832 1 19 VAL H 1 19 VAL MG2 . . 4.190 2.216 1.918 3.779 . 0 0 "[ . 1 . 2]" 1
833 1 19 VAL H 1 19 VAL MG1 . . 4.190 3.628 1.902 3.856 . 0 0 "[ . 1 . 2]" 1
834 1 19 VAL H 1 22 ILE MD . . 5.320 3.923 3.716 4.118 . 0 0 "[ . 1 . 2]" 1
835 1 31 ILE MG 1 32 GLY H . . 5.500 3.450 3.208 3.639 . 0 0 "[ . 1 . 2]" 1
836 1 27 ILE H 1 27 ILE MG . . 4.120 3.840 3.816 3.859 . 0 0 "[ . 1 . 2]" 1
837 1 125 ILE H 1 125 ILE HB . . 3.880 3.729 3.578 3.897 0.017 13 0 "[ . 1 . 2]" 1
838 1 27 ILE HB 1 28 GLU H . . 2.600 2.507 2.490 2.531 . 0 0 "[ . 1 . 2]" 1
839 1 31 ILE H 1 31 ILE HB . . 3.410 2.490 2.321 2.586 . 0 0 "[ . 1 . 2]" 1
840 1 19 VAL HA 1 22 ILE H . . 4.800 3.251 3.120 3.335 . 0 0 "[ . 1 . 2]" 1
841 1 21 ASN QB 1 22 ILE H . . 4.450 2.770 2.567 2.830 . 0 0 "[ . 1 . 2]" 1
842 1 46 THR H 1 47 ASN HB2 . . 5.160 5.073 4.989 5.125 . 0 0 "[ . 1 . 2]" 1
843 1 44 TRP HD1 1 47 ASN HB3 . . 3.770 3.706 3.516 3.810 0.040 17 0 "[ . 1 . 2]" 1
844 1 40 LYS QE 1 44 TRP HD1 . . 5.500 5.009 3.924 5.588 0.088 17 0 "[ . 1 . 2]" 1
845 1 44 TRP HD1 1 47 ASN HB2 . . 5.500 4.769 4.605 4.894 . 0 0 "[ . 1 . 2]" 1
846 1 58 LYS H 1 58 LYS HG3 . . 4.210 3.965 3.810 4.035 . 0 0 "[ . 1 . 2]" 1
847 1 22 ILE H 1 22 ILE HG12 . . 2.900 3.009 2.926 3.045 0.145 20 0 "[ . 1 . 2]" 1
848 1 40 LYS QG 1 44 TRP HZ2 . . 4.830 3.173 2.895 3.566 . 0 0 "[ . 1 . 2]" 1
849 1 111 PHE QD 1 113 LEU MD1 . . 4.930 3.821 2.619 4.811 . 0 0 "[ . 1 . 2]" 1
850 1 40 LYS QG 1 44 TRP HZ3 . . 5.500 4.812 4.584 5.068 . 0 0 "[ . 1 . 2]" 1
851 1 40 LYS QG 1 44 TRP HE3 . . 5.500 5.540 5.496 5.612 0.112 12 0 "[ . 1 . 2]" 1
852 1 18 GLU H 1 18 GLU HB3 . . 3.560 2.714 2.334 3.689 0.129 15 0 "[ . 1 . 2]" 1
853 1 18 GLU H 1 18 GLU QG . . 4.040 3.635 2.198 4.108 0.068 19 0 "[ . 1 . 2]" 1
854 1 27 ILE MD 1 99 TRP HD1 . . 5.000 3.937 3.726 4.165 . 0 0 "[ . 1 . 2]" 1
855 1 22 ILE H 1 22 ILE MG . . 3.850 3.838 3.813 3.861 0.011 13 0 "[ . 1 . 2]" 1
856 1 31 ILE HG13 1 44 TRP HZ2 . . 5.500 4.949 4.778 5.101 . 0 0 "[ . 1 . 2]" 1
857 1 31 ILE MD 1 44 TRP HZ2 . . 5.500 4.833 4.696 5.039 . 0 0 "[ . 1 . 2]" 1
858 1 27 ILE HG12 1 99 TRP HH2 . . 5.300 5.345 5.280 5.368 0.068 14 0 "[ . 1 . 2]" 1
859 1 27 ILE MD 1 99 TRP HH2 . . 3.780 3.712 3.588 3.810 0.030 2 0 "[ . 1 . 2]" 1
860 1 41 VAL MG1 1 99 TRP HZ3 . . 5.500 3.774 3.033 5.523 0.023 14 0 "[ . 1 . 2]" 1
861 1 27 ILE MD 1 99 TRP HZ3 . . 5.500 4.562 4.343 4.760 . 0 0 "[ . 1 . 2]" 1
862 1 41 VAL MG2 1 99 TRP HZ3 . . 5.500 3.303 2.869 3.682 . 0 0 "[ . 1 . 2]" 1
863 1 31 ILE HG12 1 44 TRP HZ3 . . 4.130 3.294 3.161 3.403 . 0 0 "[ . 1 . 2]" 1
864 1 66 ILE MG 1 111 PHE QD . . 3.400 2.869 2.080 3.463 0.063 18 0 "[ . 1 . 2]" 1
865 1 27 ILE MG 1 44 TRP HZ3 . . 4.820 4.871 4.829 4.926 0.106 15 0 "[ . 1 . 2]" 1
866 1 87 TRP HD1 1 130 ALA MB . . 5.500 4.816 2.842 5.549 0.049 17 0 "[ . 1 . 2]" 1
867 1 41 VAL HB 1 44 TRP HE3 . . 5.500 4.579 3.211 4.790 . 0 0 "[ . 1 . 2]" 1
868 1 65 TYR HA 1 110 ALA MB . . 5.500 5.500 5.247 5.595 0.095 4 0 "[ . 1 . 2]" 1
869 1 81 THR HA 2 70 VAL MG2 . . 4.890 3.491 2.845 4.141 . 0 0 "[ . 1 . 2]" 1
870 1 81 THR HA 2 70 VAL MG1 . . 4.890 4.058 3.226 4.943 0.053 11 0 "[ . 1 . 2]" 1
871 1 73 GLN QG 1 105 TYR QD . . 5.500 5.146 2.557 5.612 0.112 19 0 "[ . 1 . 2]" 1
872 1 98 ARG HA 1 107 ILE HB . . 4.520 3.788 2.427 4.449 . 0 0 "[ . 1 . 2]" 1
873 1 67 VAL MG1 1 110 ALA HA . . 4.510 2.322 2.086 2.789 . 0 0 "[ . 1 . 2]" 1
874 1 67 VAL HA 1 110 ALA MB . . 4.090 3.554 3.138 3.919 . 0 0 "[ . 1 . 2]" 1
875 1 129 MET HA 1 130 ALA MB . . 4.580 3.949 3.795 4.378 . 0 0 "[ . 1 . 2]" 1
876 1 96 THR MG 1 109 SER HA . . 5.000 4.197 3.983 4.398 . 0 0 "[ . 1 . 2]" 1
877 1 67 VAL HA 1 68 THR MG . . 4.680 4.192 3.678 4.632 . 0 0 "[ . 1 . 2]" 1
878 1 134 GLN HA 1 135 VAL MG1 . . 3.630 3.266 3.102 3.483 . 0 0 "[ . 1 . 2]" 1
879 1 82 ALA MB 1 134 GLN HA . . 3.880 3.249 2.683 3.604 . 0 0 "[ . 1 . 2]" 1
880 1 133 THR MG 1 134 GLN HA . . 4.210 4.078 3.753 4.226 0.016 1 0 "[ . 1 . 2]" 1
881 1 134 GLN HA 1 135 VAL MG2 . . 5.500 5.355 4.376 5.505 0.005 4 0 "[ . 1 . 2]" 1
882 1 135 VAL MG2 1 136 ASP HA . . 5.500 3.645 3.418 3.837 . 0 0 "[ . 1 . 2]" 1
883 1 96 THR HA 1 110 ALA MB . . 4.380 3.958 3.680 4.289 . 0 0 "[ . 1 . 2]" 1
884 1 53 LEU QD 1 96 THR HA . . 5.500 5.969 5.774 6.200 0.700 18 11 "[* *.* **1* -.**+*2]" 1
885 1 98 ARG HA 1 107 ILE MG . . 4.450 2.427 2.127 2.885 . 0 0 "[ . 1 . 2]" 1
886 1 71 ILE MG 1 106 CYS HA . . 4.790 2.995 2.139 3.584 . 0 0 "[ . 1 . 2]" 1
887 1 140 ARG HA 1 140 ARG QD . . 2.860 2.592 2.257 2.909 0.049 15 0 "[ . 1 . 2]" 1
888 1 121 GLN HA 1 121 GLN HG2 . . 4.240 3.123 2.225 4.245 0.005 8 0 "[ . 1 . 2]" 1
889 1 121 GLN HA 1 121 GLN HG3 . . 4.240 3.695 2.720 4.261 0.021 18 0 "[ . 1 . 2]" 1
890 1 15 VAL HA 1 16 VAL HA . . 4.740 4.332 4.248 4.391 . 0 0 "[ . 1 . 2]" 1
891 1 44 TRP HB2 1 45 THR HB . . 4.570 4.300 4.080 4.470 . 0 0 "[ . 1 . 2]" 1
892 1 51 GLN HA 1 51 GLN HG3 . . 3.990 3.326 3.128 3.782 . 0 0 "[ . 1 . 2]" 1
893 1 57 THR HB 1 58 LYS HA . . 4.810 4.682 4.525 4.826 0.016 5 0 "[ . 1 . 2]" 1
894 1 49 VAL HA 1 52 THR HB . . 4.180 2.257 2.140 2.399 . 0 0 "[ . 1 . 2]" 1
895 1 43 GLN HA 1 43 GLN QG . . 3.860 3.389 3.353 3.412 . 0 0 "[ . 1 . 2]" 1
896 1 25 GLU HA 1 25 GLU HG3 . . 3.890 3.681 3.673 3.690 . 0 0 "[ . 1 . 2]" 1
897 1 25 GLU HG3 1 26 ALA HA . . 4.250 4.100 4.030 4.186 . 0 0 "[ . 1 . 2]" 1
898 1 46 THR MG 1 47 ASN HA . . 4.570 3.381 3.320 3.438 . 0 0 "[ . 1 . 2]" 1
899 1 21 ASN HA 1 24 LYS HB2 . . 4.110 2.970 2.861 3.097 . 0 0 "[ . 1 . 2]" 1
900 1 21 ASN HA 1 24 LYS QD . . 3.020 2.354 2.303 2.434 . 0 0 "[ . 1 . 2]" 1
901 1 70 VAL MG2 1 81 THR HB . . 5.240 4.228 3.531 4.843 . 0 0 "[ . 1 . 2]" 1
902 1 70 VAL MG1 1 81 THR HB . . 5.240 4.188 3.302 4.995 . 0 0 "[ . 1 . 2]" 1
903 1 130 ALA MB 1 131 LYS HA . . 4.020 4.131 4.038 4.212 0.192 17 0 "[ . 1 . 2]" 1
904 1 15 VAL HA 1 16 VAL HB . . 5.120 4.756 4.534 5.077 . 0 0 "[ . 1 . 2]" 1
905 1 58 LYS HA 1 58 LYS HG3 . . 3.920 3.805 3.758 3.915 . 0 0 "[ . 1 . 2]" 1
906 1 83 SER HB3 2 68 THR MG . . 5.500 2.825 2.077 4.523 . 0 0 "[ . 1 . 2]" 1
907 1 43 GLN HA 1 46 THR MG . . 4.180 2.045 2.019 2.082 . 0 0 "[ . 1 . 2]" 1
908 1 58 LYS HA 1 58 LYS HB3 . . 2.400 2.318 2.284 2.345 . 0 0 "[ . 1 . 2]" 1
909 1 43 GLN HA 1 43 GLN QB . . 2.400 2.119 2.106 2.131 . 0 0 "[ . 1 . 2]" 1
910 1 26 ALA MB 1 52 THR HB . . 5.500 3.773 3.565 3.995 . 0 0 "[ . 1 . 2]" 1
911 1 125 ILE HA 1 125 ILE HG12 . . 4.100 4.003 3.734 4.179 0.079 19 0 "[ . 1 . 2]" 1
912 1 90 SER QB 1 125 ILE HB . . 4.040 3.248 2.087 4.104 0.064 5 0 "[ . 1 . 2]" 1
913 1 102 LYS HA 1 102 LYS HG3 . . 3.620 3.432 2.824 3.616 . 0 0 "[ . 1 . 2]" 1
914 1 25 GLU HA 1 25 GLU HB2 . . 2.400 2.325 2.304 2.351 . 0 0 "[ . 1 . 2]" 1
915 1 55 GLN HA 1 58 LYS HB2 . . 4.130 3.418 3.068 3.647 . 0 0 "[ . 1 . 2]" 1
916 1 55 GLN HA 1 58 LYS HG2 . . 3.730 2.444 2.283 2.633 . 0 0 "[ . 1 . 2]" 1
917 1 83 SER HB2 2 68 THR MG . . 5.500 3.316 2.129 4.714 . 0 0 "[ . 1 . 2]" 1
918 1 39 SER HA 1 41 VAL HB . . 5.500 4.775 4.109 5.544 0.044 3 0 "[ . 1 . 2]" 1
919 1 45 THR HA 1 46 THR MG . . 5.500 5.379 5.332 5.426 . 0 0 "[ . 1 . 2]" 1
920 1 78 GLY QA 1 79 LEU MD2 . . 5.500 4.041 2.254 5.220 . 0 0 "[ . 1 . 2]" 1
921 1 90 SER HA 1 125 ILE MG . . 4.770 4.061 3.157 4.841 0.071 13 0 "[ . 1 . 2]" 1
922 1 124 PRO HA 1 125 ILE MG . . 5.000 3.733 3.505 4.046 . 0 0 "[ . 1 . 2]" 1
923 1 97 VAL HA 1 97 VAL MG1 . . 3.480 2.271 2.197 2.360 . 0 0 "[ . 1 . 2]" 1
924 1 141 GLU HA 1 142 ILE MD . . 4.580 3.036 2.791 4.036 . 0 0 "[ . 1 . 2]" 1
925 1 142 ILE HA 1 143 VAL QG . . 3.950 3.522 3.102 4.082 0.132 12 0 "[ . 1 . 2]" 1
926 1 15 VAL HA 1 15 VAL MG1 . . 3.560 3.272 3.262 3.281 . 0 0 "[ . 1 . 2]" 1
927 1 135 VAL HA 1 135 VAL MG2 . . 3.540 2.649 2.494 3.188 . 0 0 "[ . 1 . 2]" 1
928 1 90 SER QB 1 125 ILE MG . . 4.880 2.599 2.032 4.770 . 0 0 "[ . 1 . 2]" 1
929 1 57 THR HA 1 57 THR MG . . 3.490 2.521 2.438 2.654 . 0 0 "[ . 1 . 2]" 1
930 1 48 VAL MG1 1 52 THR HB . . 4.390 2.588 2.508 2.667 . 0 0 "[ . 1 . 2]" 1
931 1 4 GLU QG 1 5 ASP HA . . 3.930 3.782 3.468 4.146 0.216 10 0 "[ . 1 . 2]" 1
932 1 43 GLN QG 1 44 TRP HA . . 4.220 3.718 3.592 4.100 . 0 0 "[ . 1 . 2]" 1
933 1 52 THR HA 1 55 GLN HG2 . . 4.450 3.880 3.760 4.113 . 0 0 "[ . 1 . 2]" 1
934 1 57 THR HB 1 58 LYS HG2 . . 4.840 3.909 3.649 4.199 . 0 0 "[ . 1 . 2]" 1
935 1 56 LEU HA 1 59 LEU HG . . 4.170 3.561 2.846 4.234 0.064 8 0 "[ . 1 . 2]" 1
936 1 24 LYS HA 1 24 LYS HB3 . . 2.700 2.563 2.550 2.578 . 0 0 "[ . 1 . 2]" 1
937 1 24 LYS HA 1 24 LYS HG3 . . 3.710 2.229 2.208 2.241 . 0 0 "[ . 1 . 2]" 1
938 1 24 LYS HA 1 24 LYS HG2 . . 3.410 3.355 3.175 3.426 0.016 10 0 "[ . 1 . 2]" 1
939 1 22 ILE HA 1 25 GLU HG2 . . 4.180 2.502 2.386 2.684 . 0 0 "[ . 1 . 2]" 1
940 1 28 GLU HA 1 28 GLU HB3 . . 2.550 2.403 2.352 2.434 . 0 0 "[ . 1 . 2]" 1
941 1 19 VAL HA 1 22 ILE HB . . 3.500 2.695 2.401 3.028 . 0 0 "[ . 1 . 2]" 1
942 1 16 VAL HA 1 16 VAL MG2 . . 3.360 2.378 2.319 2.535 . 0 0 "[ . 1 . 2]" 1
943 1 19 VAL HA 1 22 ILE HG13 . . 5.500 2.522 2.344 2.885 . 0 0 "[ . 1 . 2]" 1
944 1 28 GLU HA 1 31 ILE HB . . 4.140 2.315 2.211 2.437 . 0 0 "[ . 1 . 2]" 1
945 1 56 LEU HA 1 56 LEU MD2 . . 4.790 3.928 3.886 3.990 . 0 0 "[ . 1 . 2]" 1
946 1 24 LYS HA 1 27 ILE MD . . 3.590 2.725 2.436 2.990 . 0 0 "[ . 1 . 2]" 1
947 1 53 LEU HA 1 53 LEU QD . . 3.180 2.122 2.023 2.310 . 0 0 "[ . 1 . 2]" 1
948 1 22 ILE HA 1 22 ILE MD . . 3.960 3.864 3.783 3.918 . 0 0 "[ . 1 . 2]" 1
949 1 46 THR HA 1 46 THR MG . . 3.440 3.251 3.244 3.262 . 0 0 "[ . 1 . 2]" 1
950 1 23 VAL HA 1 23 VAL MG1 . . 3.500 3.235 3.224 3.242 . 0 0 "[ . 1 . 2]" 1
951 1 31 ILE HG12 1 44 TRP HB3 . . 4.710 4.428 4.246 4.709 . 0 0 "[ . 1 . 2]" 1
952 1 48 VAL MG1 1 52 THR HA . . 5.070 4.422 4.361 4.494 . 0 0 "[ . 1 . 2]" 1
953 1 52 THR HA 1 52 THR MG . . 2.520 2.509 2.465 2.552 0.032 7 0 "[ . 1 . 2]" 1
954 1 49 VAL HA 1 49 VAL MG2 . . 3.230 2.355 2.322 2.386 . 0 0 "[ . 1 . 2]" 1
955 1 16 VAL HA 1 16 VAL MG1 . . 3.360 2.636 2.301 3.285 . 0 0 "[ . 1 . 2]" 1
956 1 19 VAL HA 1 19 VAL MG1 . . 3.240 2.542 2.290 3.249 0.009 20 0 "[ . 1 . 2]" 1
957 1 53 LEU HA 1 56 LEU HG . . 3.970 2.254 2.182 2.344 . 0 0 "[ . 1 . 2]" 1
958 1 53 LEU HA 1 56 LEU MD1 . . 4.330 2.863 2.478 3.166 . 0 0 "[ . 1 . 2]" 1
959 1 56 LEU HA 1 56 LEU MD1 . . 4.790 3.823 3.734 3.927 . 0 0 "[ . 1 . 2]" 1
960 1 24 LYS HA 1 27 ILE MG . . 4.780 4.240 4.075 4.430 . 0 0 "[ . 1 . 2]" 1
961 1 27 ILE HA 1 27 ILE MG . . 3.370 2.449 2.401 2.500 . 0 0 "[ . 1 . 2]" 1
962 1 55 GLN HA 1 55 GLN HG3 . . 3.750 2.822 2.756 2.886 . 0 0 "[ . 1 . 2]" 1
963 1 52 THR HA 1 55 GLN HG3 . . 5.500 5.111 5.031 5.216 . 0 0 "[ . 1 . 2]" 1
964 1 41 VAL HA 1 44 TRP HB2 . . 3.100 2.282 2.203 2.383 . 0 0 "[ . 1 . 2]" 1
965 1 131 LYS QD 1 131 LYS QE . . 2.400 2.113 2.052 2.126 . 0 0 "[ . 1 . 2]" 1
966 1 27 ILE HA 1 30 ALA MB . . 3.670 2.778 2.603 2.900 . 0 0 "[ . 1 . 2]" 1
967 1 126 LYS QE 1 126 LYS HG2 . . 3.660 2.987 2.164 3.537 . 0 0 "[ . 1 . 2]" 1
968 1 44 TRP HB2 1 45 THR MG . . 4.300 4.357 4.328 4.389 0.089 5 0 "[ . 1 . 2]" 1
969 1 27 ILE HA 1 48 VAL MG1 . . 3.960 2.726 2.411 3.314 . 0 0 "[ . 1 . 2]" 1
970 1 47 ASN HB3 1 48 VAL MG1 . . 5.500 5.532 5.520 5.552 0.052 7 0 "[ . 1 . 2]" 1
971 1 53 LEU QD 1 65 TYR HB3 . . 4.430 2.766 2.057 3.630 . 0 0 "[ . 1 . 2]" 1
972 1 27 ILE MD 1 44 TRP HB2 . . 5.270 5.112 4.966 5.234 . 0 0 "[ . 1 . 2]" 1
973 1 44 TRP HB2 1 48 VAL MG2 . . 5.500 4.381 4.262 4.472 . 0 0 "[ . 1 . 2]" 1
974 1 72 MET QG 1 79 LEU MD1 . . 5.500 3.716 2.006 5.506 0.006 4 0 "[ . 1 . 2]" 1
975 1 31 ILE HG12 1 44 TRP HB2 . . 5.270 4.933 4.744 5.190 . 0 0 "[ . 1 . 2]" 1
976 1 19 VAL MG2 1 95 CYS HB2 . . 4.920 4.005 3.210 5.013 0.093 5 0 "[ . 1 . 2]" 1
977 1 15 VAL MG2 1 17 ASP HB3 . . 4.890 3.047 2.391 3.892 . 0 0 "[ . 1 . 2]" 1
978 1 53 LEU QD 1 65 TYR HB2 . . 4.430 2.632 2.119 3.421 . 0 0 "[ . 1 . 2]" 1
979 1 15 VAL MG2 1 17 ASP HB2 . . 4.890 3.228 2.866 3.542 . 0 0 "[ . 1 . 2]" 1
980 1 22 ILE MG 1 55 GLN HG2 . . 4.020 3.284 2.732 3.689 . 0 0 "[ . 1 . 2]" 1
981 1 111 PHE HB3 1 113 LEU MD2 . . 5.870 3.032 2.161 5.732 . 0 0 "[ . 1 . 2]" 1
982 1 111 PHE HB2 1 113 LEU MD1 . . 5.870 4.748 4.010 5.762 . 0 0 "[ . 1 . 2]" 1
983 1 40 LYS QE 1 40 LYS QG . . 3.050 2.279 1.997 2.574 . 0 0 "[ . 1 . 2]" 1
984 1 72 MET QG 1 79 LEU MD2 . . 5.500 3.333 2.109 5.501 0.001 1 0 "[ . 1 . 2]" 1
985 1 111 PHE HB2 1 113 LEU MD2 . . 5.870 3.750 2.671 5.343 . 0 0 "[ . 1 . 2]" 1
986 1 31 ILE HA 1 31 ILE MD . . 3.870 3.869 3.786 3.906 0.036 1 0 "[ . 1 . 2]" 1
987 1 31 ILE MD 1 44 TRP HB2 . . 5.150 4.701 4.486 4.939 . 0 0 "[ . 1 . 2]" 1
988 1 19 VAL MG1 1 95 CYS HB2 . . 4.920 2.649 2.175 3.196 . 0 0 "[ . 1 . 2]" 1
989 1 27 ILE MG 1 44 TRP HB2 . . 4.840 3.720 3.636 3.841 . 0 0 "[ . 1 . 2]" 1
990 1 82 ALA MB 1 134 GLN HG3 . . 4.130 2.350 2.180 2.801 . 0 0 "[ . 1 . 2]" 1
991 1 7 GLN QG 1 8 ALA MB . . 3.720 3.650 3.163 3.807 0.087 7 0 "[ . 1 . 2]" 1
992 1 11 GLU QG 1 12 THR MG . . 4.750 3.728 2.873 4.813 0.063 2 0 "[ . 1 . 2]" 1
993 1 43 GLN QG 1 46 THR MG . . 5.050 4.549 4.511 4.602 . 0 0 "[ . 1 . 2]" 1
994 1 45 THR HA 1 48 VAL HB . . 3.460 3.293 3.048 3.481 0.021 14 0 "[ . 1 . 2]" 1
995 1 28 GLU HB2 1 29 SER QB . . 4.380 4.428 4.392 4.457 0.077 3 0 "[ . 1 . 2]" 1
996 1 52 THR HB 1 53 LEU HB3 . . 5.500 5.191 5.051 5.332 . 0 0 "[ . 1 . 2]" 1
997 1 52 THR HB 1 55 GLN HB3 . . 5.500 5.256 5.212 5.324 . 0 0 "[ . 1 . 2]" 1
998 1 46 THR HA 1 49 VAL HB . . 4.400 3.284 3.175 3.366 . 0 0 "[ . 1 . 2]" 1
999 1 52 THR HA 1 55 GLN HB2 . . 4.620 3.816 3.720 3.923 . 0 0 "[ . 1 . 2]" 1
1000 1 24 LYS HA 1 24 LYS QD . . 4.500 3.630 3.491 3.879 . 0 0 "[ . 1 . 2]" 1
1001 1 56 LEU HA 1 58 LYS HG2 . . 5.500 5.509 5.329 5.635 0.135 15 0 "[ . 1 . 2]" 1
1002 1 52 THR HA 1 55 GLN HB3 . . 4.510 2.368 2.282 2.468 . 0 0 "[ . 1 . 2]" 1
1003 1 16 VAL HA 1 19 VAL HB . . 3.950 2.676 2.237 4.238 0.288 19 0 "[ . 1 . 2]" 1
1004 1 26 ALA MB 1 52 THR HA . . 3.890 3.888 3.819 3.930 0.040 13 0 "[ . 1 . 2]" 1
1005 1 26 ALA MB 1 48 VAL HA . . 4.290 4.195 3.749 4.376 0.086 20 0 "[ . 1 . 2]" 1
1006 1 45 THR MG 1 46 THR HA . . 4.500 3.724 3.537 3.814 . 0 0 "[ . 1 . 2]" 1
1007 1 30 ALA MB 1 48 VAL HA . . 4.340 3.986 3.679 4.250 . 0 0 "[ . 1 . 2]" 1
1008 1 27 ILE HB 1 44 TRP HB3 . . 5.500 5.560 5.522 5.591 0.091 12 0 "[ . 1 . 2]" 1
1009 1 52 THR HB 1 53 LEU HB2 . . 4.000 4.065 3.984 4.136 0.136 6 0 "[ . 1 . 2]" 1
1010 1 24 LYS HA 1 27 ILE HB . . 3.800 2.807 2.672 2.990 . 0 0 "[ . 1 . 2]" 1
1011 1 22 ILE HA 1 22 ILE HG12 . . 3.920 2.530 2.414 2.643 . 0 0 "[ . 1 . 2]" 1
1012 1 19 VAL HA 1 22 ILE HG12 . . 5.030 4.097 3.912 4.354 . 0 0 "[ . 1 . 2]" 1
1013 1 48 VAL HA 1 48 VAL MG2 . . 3.150 2.231 2.201 2.257 . 0 0 "[ . 1 . 2]" 1
1014 1 22 ILE HA 1 22 ILE MG . . 2.910 2.375 2.323 2.402 . 0 0 "[ . 1 . 2]" 1
1015 1 115 ILE MD 1 116 GLY QA . . 5.500 3.348 2.719 5.232 . 0 0 "[ . 1 . 2]" 1
1016 1 78 GLY QA 1 79 LEU MD1 . . 4.790 3.953 2.711 4.909 0.119 16 0 "[ . 1 . 2]" 1
1017 1 19 VAL HA 1 22 ILE MD . . 3.420 2.379 2.141 2.682 . 0 0 "[ . 1 . 2]" 1
1018 1 22 ILE MD 1 56 LEU HA . . 4.800 3.090 2.646 3.339 . 0 0 "[ . 1 . 2]" 1
1019 1 27 ILE HA 1 48 VAL MG2 . . 3.420 2.028 1.998 2.053 . 0 0 "[ . 1 . 2]" 1
1020 1 19 VAL MG2 1 95 CYS HB3 . . 4.920 4.249 2.899 4.949 0.029 17 0 "[ . 1 . 2]" 1
1021 1 66 ILE MD 2 111 PHE HB3 . . 5.500 4.250 2.963 4.995 . 0 0 "[ . 1 . 2]" 1
1022 1 66 ILE MD 2 111 PHE HB2 . . 5.500 4.091 3.016 4.959 . 0 0 "[ . 1 . 2]" 1
1023 1 53 LEU HA 1 56 LEU MD2 . . 4.330 2.187 2.088 2.294 . 0 0 "[ . 1 . 2]" 1
1024 1 27 ILE MD 1 99 TRP HB3 . . 5.000 5.045 4.920 5.080 0.080 5 0 "[ . 1 . 2]" 1
1025 1 27 ILE HA 1 27 ILE HG12 . . 3.370 2.684 2.639 2.734 . 0 0 "[ . 1 . 2]" 1
1026 1 31 ILE HA 1 31 ILE MG . . 3.580 2.483 2.367 2.675 . 0 0 "[ . 1 . 2]" 1
1027 1 19 VAL MG1 1 95 CYS HB3 . . 4.920 2.738 2.344 3.415 . 0 0 "[ . 1 . 2]" 1
1028 1 26 ALA MB 1 27 ILE HA . . 3.940 3.984 3.953 4.016 0.076 7 0 "[ . 1 . 2]" 1
1029 1 66 ILE MG 1 68 THR MG . . 4.410 4.275 3.929 4.466 0.056 14 0 "[ . 1 . 2]" 1
1030 1 66 ILE MG 1 113 LEU MD2 . . 5.500 3.774 2.707 5.596 0.096 13 0 "[ . 1 . 2]" 1
1031 1 66 ILE HG12 1 66 ILE MG . . 3.510 2.174 2.126 2.270 . 0 0 "[ . 1 . 2]" 1
1032 1 66 ILE MD 1 66 ILE MG . . 3.220 2.585 2.170 3.245 0.025 8 0 "[ . 1 . 2]" 1
1033 1 27 ILE MD 1 27 ILE MG . . 3.050 2.127 2.104 2.154 . 0 0 "[ . 1 . 2]" 1
1034 1 27 ILE MG 1 28 GLU HB3 . . 4.880 4.903 4.869 4.941 0.061 15 0 "[ . 1 . 2]" 1
1035 1 27 ILE MG 1 30 ALA MB . . 3.980 3.647 3.525 3.766 . 0 0 "[ . 1 . 2]" 1
1036 1 27 ILE MG 1 31 ILE MD . . 3.340 2.010 1.980 2.116 . 0 0 "[ . 1 . 2]" 1
1037 1 27 ILE MG 1 28 GLU HA . . 4.470 3.138 3.096 3.194 . 0 0 "[ . 1 . 2]" 1
1038 1 28 GLU HB3 1 31 ILE MD . . 3.880 3.903 3.752 3.939 0.059 4 0 "[ . 1 . 2]" 1
1039 1 53 LEU QD 1 56 LEU MD1 . . 3.240 2.090 1.899 2.252 . 0 0 "[ . 1 . 2]" 1
1040 1 57 THR MG 1 58 LYS HD3 . . 3.230 2.745 2.369 3.294 0.064 11 0 "[ . 1 . 2]" 1
1041 1 27 ILE HB 1 27 ILE MD . . 3.210 2.302 2.277 2.320 . 0 0 "[ . 1 . 2]" 1
1042 1 56 LEU MD2 1 110 ALA MB . . 4.860 4.710 4.303 4.917 0.057 14 0 "[ . 1 . 2]" 1
1043 1 27 ILE HG13 1 48 VAL HB . . 3.510 3.484 3.355 3.567 0.057 8 0 "[ . 1 . 2]" 1
1044 1 26 ALA MB 1 55 GLN HG2 . . 5.470 5.539 5.459 5.582 0.112 7 0 "[ . 1 . 2]" 1
1045 1 25 GLU HG3 1 26 ALA MB . . 3.320 3.344 3.331 3.364 0.044 14 0 "[ . 1 . 2]" 1
1046 1 9 ALA MB 1 11 GLU QG . . 5.500 3.289 2.142 5.232 . 0 0 "[ . 1 . 2]" 1
1047 1 15 VAL MG1 1 17 ASP HB3 . . 4.890 2.518 2.258 2.837 . 0 0 "[ . 1 . 2]" 1
1048 1 12 THR MG 1 13 ALA MB . . 3.440 3.365 2.880 3.493 0.053 11 0 "[ . 1 . 2]" 1
1049 1 53 LEU HB2 1 53 LEU QD . . 3.250 2.242 2.132 2.329 . 0 0 "[ . 1 . 2]" 1
1050 1 53 LEU QD 1 110 ALA MB . . 3.200 2.223 1.976 2.557 . 0 0 "[ . 1 . 2]" 1
1051 1 67 VAL MG1 1 110 ALA MB . . 2.760 1.996 1.914 2.201 . 0 0 "[ . 1 . 2]" 1
1052 1 56 LEU MD1 1 110 ALA MB . . 4.860 4.299 3.860 4.531 . 0 0 "[ . 1 . 2]" 1
1053 1 66 ILE MG 1 67 VAL MG1 . . 5.290 4.186 4.067 4.407 . 0 0 "[ . 1 . 2]" 1
1054 1 66 ILE MG 1 110 ALA MB . . 5.430 4.515 4.091 4.856 . 0 0 "[ . 1 . 2]" 1
1055 1 66 ILE MG 1 113 LEU MD1 . . 5.340 5.050 4.389 5.455 0.115 8 0 "[ . 1 . 2]" 1
1056 1 27 ILE MG 1 31 ILE HB . . 5.500 4.080 3.985 4.168 . 0 0 "[ . 1 . 2]" 1
1057 1 27 ILE MG 1 31 ILE HG12 . . 4.140 3.471 3.346 3.579 . 0 0 "[ . 1 . 2]" 1
1058 1 31 ILE HB 1 31 ILE MD . . 3.440 2.466 2.379 2.538 . 0 0 "[ . 1 . 2]" 1
1059 1 24 LYS HG3 1 27 ILE MD . . 3.870 3.494 3.177 3.763 . 0 0 "[ . 1 . 2]" 1
1060 1 26 ALA MB 1 48 VAL MG1 . . 3.660 2.119 1.990 2.198 . 0 0 "[ . 1 . 2]" 1
1061 1 81 THR MG 1 135 VAL MG2 . . 3.510 3.546 3.417 3.571 0.061 17 0 "[ . 1 . 2]" 1
1062 1 27 ILE HG13 1 48 VAL MG1 . . 2.580 2.063 2.012 2.089 . 0 0 "[ . 1 . 2]" 1
1063 1 22 ILE HB 1 22 ILE MD . . 3.010 2.514 2.399 2.609 . 0 0 "[ . 1 . 2]" 1
1064 1 70 VAL HB 1 135 VAL MG1 . . 4.620 4.682 4.412 4.793 0.173 4 0 "[ . 1 . 2]" 1
1065 1 134 GLN HG2 1 135 VAL MG1 . . 4.040 4.155 4.095 4.199 0.159 15 0 "[ . 1 . 2]" 1
1066 1 70 VAL HB 1 81 THR MG . . 5.410 4.337 2.952 5.261 . 0 0 "[ . 1 . 2]" 1
1067 1 102 LYS HB3 1 103 THR MG . . 3.270 3.126 2.639 3.300 0.030 7 0 "[ . 1 . 2]" 1
1068 1 28 GLU HB2 1 31 ILE MD . . 5.410 4.649 4.514 4.809 . 0 0 "[ . 1 . 2]" 1
1069 1 26 ALA MB 1 27 ILE MG . . 5.360 5.175 5.112 5.223 . 0 0 "[ . 1 . 2]" 1
1070 1 132 ILE HB 1 132 ILE MD . . 3.260 3.282 3.271 3.292 0.032 2 0 "[ . 1 . 2]" 1
1071 1 107 ILE HG12 1 107 ILE MG . . 2.620 2.194 2.116 2.291 . 0 0 "[ . 1 . 2]" 1
1072 1 28 GLU HB3 1 31 ILE HB . . 4.060 4.003 3.862 4.136 0.076 15 0 "[ . 1 . 2]" 1
1073 1 107 ILE HB 1 107 ILE MD . . 2.580 2.235 2.165 2.295 . 0 0 "[ . 1 . 2]" 1
1074 1 26 ALA MB 1 52 THR MG . . 3.300 2.421 2.014 3.083 . 0 0 "[ . 1 . 2]" 1
1075 1 30 ALA MB 1 48 VAL MG2 . . 2.950 2.230 2.068 2.527 . 0 0 "[ . 1 . 2]" 1
1076 1 27 ILE HG12 1 48 VAL MG1 . . 3.380 2.900 2.705 3.178 . 0 0 "[ . 1 . 2]" 1
1077 1 53 LEU QD 1 56 LEU MD2 . . 3.240 2.174 2.027 2.465 . 0 0 "[ . 1 . 2]" 1
1078 1 27 ILE HG12 1 48 VAL MG2 . . 2.870 2.495 2.275 2.627 . 0 0 "[ . 1 . 2]" 1
1079 1 23 VAL MG1 1 27 ILE MD . . 3.060 3.117 3.086 3.138 0.078 15 0 "[ . 1 . 2]" 1
1080 1 23 VAL MG2 1 27 ILE MD . . 3.060 2.041 1.981 2.137 . 0 0 "[ . 1 . 2]" 1
1081 1 52 THR MG 1 53 LEU HA . . 4.770 3.367 3.133 3.478 . 0 0 "[ . 1 . 2]" 1
1082 1 21 ASN H 1 22 ILE HG13 . . 5.500 3.676 3.574 3.794 . 0 0 "[ . 1 . 2]" 1
1083 1 124 PRO QG 1 125 ILE H . . 4.990 4.292 3.976 4.561 . 0 0 "[ . 1 . 2]" 1
1084 1 24 LYS QE 1 99 TRP HZ2 . . 5.040 4.540 4.320 4.778 . 0 0 "[ . 1 . 2]" 1
1085 1 140 ARG HB2 1 140 ARG QD . . 3.640 2.655 2.170 3.389 . 0 0 "[ . 1 . 2]" 1
1086 1 25 GLU HA 1 29 SER H . . 5.290 4.070 3.922 4.401 . 0 0 "[ . 1 . 2]" 1
1087 1 26 ALA HA 1 29 SER H . . 5.450 3.564 3.434 3.794 . 0 0 "[ . 1 . 2]" 1
1088 1 25 GLU HA 1 25 GLU HB3 . . 2.700 2.473 2.457 2.499 . 0 0 "[ . 1 . 2]" 1
1089 1 125 ILE HA 1 126 LYS H . . 2.400 2.194 2.039 2.405 0.005 17 0 "[ . 1 . 2]" 1
1090 1 68 THR HA 2 84 SER H . . 3.790 3.460 3.033 3.805 0.015 3 0 "[ . 1 . 2]" 1
1091 1 48 VAL HB 1 49 VAL H . . 2.400 2.250 2.156 2.378 . 0 0 "[ . 1 . 2]" 1
1092 1 34 ASN H 1 34 ASN HB2 . . 3.620 2.385 2.085 3.140 . 0 0 "[ . 1 . 2]" 1
1093 1 49 VAL H 1 49 VAL HB . . 3.930 2.481 2.408 2.549 . 0 0 "[ . 1 . 2]" 1
1094 1 102 LYS H 1 102 LYS HB2 . . 2.400 2.093 1.981 2.288 . 0 0 "[ . 1 . 2]" 1
1095 1 96 THR H 1 96 THR MG . . 2.400 2.307 1.976 2.487 0.087 1 0 "[ . 1 . 2]" 1
1096 1 53 LEU HB3 1 53 LEU HG . . 2.650 2.384 2.325 2.671 0.021 6 0 "[ . 1 . 2]" 1
1097 1 53 LEU HB3 1 53 LEU QD . . 2.780 2.404 2.174 2.508 . 0 0 "[ . 1 . 2]" 1
1098 1 134 GLN HG2 1 135 VAL H . . 3.690 2.248 2.028 2.696 . 0 0 "[ . 1 . 2]" 1
1099 1 70 VAL HA 2 81 THR MG . . 4.840 3.171 2.280 3.562 . 0 0 "[ . 1 . 2]" 1
1100 1 27 ILE MG 1 48 VAL MG2 . . 3.660 3.062 2.866 3.254 . 0 0 "[ . 1 . 2]" 1
1101 1 97 VAL MG1 1 98 ARG H . . 4.170 2.588 2.082 3.221 . 0 0 "[ . 1 . 2]" 1
1102 1 102 LYS HB3 1 103 THR H . . 2.550 2.544 2.382 2.617 0.067 12 0 "[ . 1 . 2]" 1
1103 1 44 TRP H 1 44 TRP HE3 . . 4.730 4.497 4.443 4.578 . 0 0 "[ . 1 . 2]" 1
1104 1 115 ILE H 1 115 ILE MD . . 3.150 2.636 1.644 3.419 0.269 8 0 "[ . 1 . 2]" 1
1105 1 55 GLN H 1 55 GLN HB3 . . 2.400 2.164 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
1106 2 4 GLU HA 2 4 GLU QG . . 3.500 3.387 3.348 3.486 . 0 0 "[ . 1 . 2]" 1
1107 2 4 GLU HA 2 4 GLU HB2 . . 2.570 2.410 2.342 2.465 . 0 0 "[ . 1 . 2]" 1
1108 2 4 GLU HB2 2 4 GLU QG . . 2.710 2.400 2.156 2.577 . 0 0 "[ . 1 . 2]" 1
1109 2 73 GLN QG 2 74 LYS H . . 3.470 2.839 2.243 3.595 0.125 8 0 "[ . 1 . 2]" 1
1110 2 7 GLN HA 2 7 GLN QG . . 2.830 2.332 2.194 2.480 . 0 0 "[ . 1 . 2]" 1
1111 2 7 GLN H 2 7 GLN HB3 . . 3.670 3.033 2.723 3.378 . 0 0 "[ . 1 . 2]" 1
1112 2 12 THR HA 2 12 THR MG . . 3.550 3.252 3.221 3.277 . 0 0 "[ . 1 . 2]" 1
1113 2 12 THR HA 2 12 THR HB . . 2.990 2.493 2.379 2.600 . 0 0 "[ . 1 . 2]" 1
1114 2 15 VAL HA 2 15 VAL MG2 . . 3.560 2.338 2.216 2.429 . 0 0 "[ . 1 . 2]" 1
1115 2 67 VAL H 2 67 VAL MG1 . . 3.330 3.238 2.877 3.413 0.083 6 0 "[ . 1 . 2]" 1
1116 2 16 VAL H 2 16 VAL MG1 . . 3.790 3.280 1.919 3.813 0.023 8 0 "[ . 1 . 2]" 1
1117 2 14 PHE QD 2 18 GLU QG . . 4.570 3.984 2.270 4.650 0.080 2 0 "[ . 1 . 2]" 1
1118 2 18 GLU HA 2 18 GLU QG . . 3.280 2.663 2.371 3.226 . 0 0 "[ . 1 . 2]" 1
1119 2 19 VAL HA 2 19 VAL MG2 . . 3.240 2.379 2.183 3.204 . 0 0 "[ . 1 . 2]" 1
1120 2 20 SER HA 2 20 SER QB . . 2.400 2.389 2.366 2.404 0.004 8 0 "[ . 1 . 2]" 1
1121 2 22 ILE HB 2 22 ILE HG13 . . 2.550 2.433 2.358 2.486 . 0 0 "[ . 1 . 2]" 1
1122 2 22 ILE HA 2 22 ILE HG13 . . 3.740 3.208 3.155 3.307 . 0 0 "[ . 1 . 2]" 1
1123 2 22 ILE HG13 2 22 ILE MG . . 3.330 3.225 3.208 3.237 . 0 0 "[ . 1 . 2]" 1
1124 2 22 ILE HG12 2 22 ILE MG . . 2.550 2.465 2.397 2.547 . 0 0 "[ . 1 . 2]" 1
1125 2 22 ILE MD 2 22 ILE MG . . 2.400 2.064 2.036 2.101 . 0 0 "[ . 1 . 2]" 1
1126 2 23 VAL HA 2 23 VAL MG2 . . 3.500 2.209 2.166 2.236 . 0 0 "[ . 1 . 2]" 1
1127 2 23 VAL H 2 23 VAL MG2 . . 3.930 3.798 3.783 3.821 . 0 0 "[ . 1 . 2]" 1
1128 2 24 LYS HA 2 27 ILE HG13 . . 5.330 4.146 3.986 4.326 . 0 0 "[ . 1 . 2]" 1
1129 2 24 LYS HA 2 24 LYS QE . . 3.840 3.864 3.824 3.886 0.046 17 0 "[ . 1 . 2]" 1
1130 2 24 LYS HB3 2 24 LYS QE . . 4.910 4.435 4.371 4.455 . 0 0 "[ . 1 . 2]" 1
1131 2 24 LYS QE 2 24 LYS HG3 . . 2.630 2.281 2.221 2.337 . 0 0 "[ . 1 . 2]" 1
1132 2 24 LYS HB3 2 24 LYS QD . . 3.160 3.164 3.110 3.188 0.028 10 0 "[ . 1 . 2]" 1
1133 2 24 LYS HB2 2 24 LYS QD . . 2.680 2.141 2.105 2.170 . 0 0 "[ . 1 . 2]" 1
1134 2 24 LYS QD 2 24 LYS HG3 . . 2.550 2.526 2.507 2.562 0.012 9 0 "[ . 1 . 2]" 1
1135 2 24 LYS QE 2 24 LYS HG2 . . 3.420 3.219 3.159 3.291 . 0 0 "[ . 1 . 2]" 1
1136 2 24 LYS QD 2 24 LYS HG2 . . 2.410 2.243 2.198 2.267 . 0 0 "[ . 1 . 2]" 1
1137 2 25 GLU HA 2 25 GLU HG2 . . 4.240 4.187 4.169 4.236 . 0 0 "[ . 1 . 2]" 1
1138 2 25 GLU HB3 2 25 GLU HG2 . . 2.400 2.222 2.211 2.265 . 0 0 "[ . 1 . 2]" 1
1139 2 25 GLU H 2 25 GLU HB2 . . 3.760 3.667 3.641 3.684 . 0 0 "[ . 1 . 2]" 1
1140 2 25 GLU HB3 2 25 GLU HG3 . . 2.780 2.799 2.754 2.823 0.043 17 0 "[ . 1 . 2]" 1
1141 2 29 SER H 2 29 SER QB . . 3.110 2.248 2.100 2.498 . 0 0 "[ . 1 . 2]" 1
1142 2 29 SER HA 2 29 SER QB . . 2.400 2.303 2.122 2.393 . 0 0 "[ . 1 . 2]" 1
1143 2 31 ILE HA 2 31 ILE HG12 . . 3.960 2.500 2.354 2.620 . 0 0 "[ . 1 . 2]" 1
1144 2 31 ILE HA 2 31 ILE HG13 . . 3.650 2.910 2.685 3.019 . 0 0 "[ . 1 . 2]" 1
1145 2 31 ILE MD 2 31 ILE MG . . 2.850 2.051 2.027 2.084 . 0 0 "[ . 1 . 2]" 1
1146 2 31 ILE H 2 31 ILE MD . . 4.300 3.642 3.522 3.758 . 0 0 "[ . 1 . 2]" 1
1147 2 40 LYS HA 2 40 LYS QG . . 3.380 2.757 2.444 2.930 . 0 0 "[ . 1 . 2]" 1
1148 2 40 LYS HA 2 40 LYS QE . . 4.110 3.923 2.127 4.186 0.076 5 0 "[ . 1 . 2]" 1
1149 2 40 LYS QB 2 40 LYS QE . . 4.310 3.551 3.175 3.887 . 0 0 "[ . 1 . 2]" 1
1150 2 44 TRP HA 2 44 TRP HD1 . . 3.300 2.165 2.132 2.204 . 0 0 "[ . 1 . 2]" 1
1151 2 44 TRP HA 2 44 TRP HE1 . . 4.630 4.652 4.630 4.668 0.038 17 0 "[ . 1 . 2]" 1
1152 2 44 TRP HA 2 47 ASN HB3 . . 3.630 2.751 2.668 2.833 . 0 0 "[ . 1 . 2]" 1
1153 2 49 VAL HA 2 49 VAL MG1 . . 3.230 2.525 2.449 2.560 . 0 0 "[ . 1 . 2]" 1
1154 2 48 VAL MG2 2 49 VAL H . . 3.930 3.742 3.679 3.803 . 0 0 "[ . 1 . 2]" 1
1155 2 49 VAL H 2 49 VAL MG2 . . 4.280 2.076 2.034 2.132 . 0 0 "[ . 1 . 2]" 1
1156 2 51 GLN HA 2 51 GLN HG2 . . 3.990 2.608 2.413 3.354 . 0 0 "[ . 1 . 2]" 1
1157 2 51 GLN H 2 51 GLN HB2 . . 3.520 2.516 2.452 2.566 . 0 0 "[ . 1 . 2]" 1
1158 2 52 THR H 2 52 THR MG . . 3.850 3.746 3.711 3.769 . 0 0 "[ . 1 . 2]" 1
1159 2 53 LEU H 2 53 LEU HG . . 4.760 4.511 4.444 4.592 . 0 0 "[ . 1 . 2]" 1
1160 2 55 GLN H 2 55 GLN HG2 . . 4.080 4.142 4.105 4.182 0.102 11 0 "[ . 1 . 2]" 1
1161 2 55 GLN HA 2 55 GLN HG2 . . 3.870 3.616 3.533 3.684 . 0 0 "[ . 1 . 2]" 1
1162 2 55 GLN H 2 55 GLN HB2 . . 3.270 2.780 2.685 2.878 . 0 0 "[ . 1 . 2]" 1
1163 2 57 THR H 2 57 THR MG . . 4.060 3.778 3.667 3.802 . 0 0 "[ . 1 . 2]" 1
1164 2 69 CYS HB2 2 108 VAL HA . . 5.500 2.893 2.390 3.244 . 0 0 "[ . 1 . 2]" 1
1165 2 69 CYS HB3 2 108 VAL HA . . 5.500 2.656 2.196 4.195 . 0 0 "[ . 1 . 2]" 1
1166 2 58 LYS HA 2 58 LYS HG2 . . 3.930 3.618 3.492 3.676 . 0 0 "[ . 1 . 2]" 1
1167 2 58 LYS HA 2 58 LYS HD3 . . 4.200 3.275 2.946 4.020 . 0 0 "[ . 1 . 2]" 1
1168 2 58 LYS HA 2 58 LYS HD2 . . 3.300 2.308 2.217 2.431 . 0 0 "[ . 1 . 2]" 1
1169 2 40 LYS QE 2 44 TRP HZ2 . . 4.720 3.271 2.226 4.798 0.078 9 0 "[ . 1 . 2]" 1
1170 2 125 ILE HA 2 126 LYS QE . . 5.360 4.503 2.917 5.513 0.153 8 0 "[ . 1 . 2]" 1
1171 2 98 ARG QB 2 98 ARG HD2 . . 3.530 2.461 2.208 2.860 . 0 0 "[ . 1 . 2]" 1
1172 2 24 LYS HB2 2 24 LYS HG3 . . 3.000 2.989 2.964 3.001 0.001 7 0 "[ . 1 . 2]" 1
1173 2 140 ARG HB3 2 140 ARG HG2 . . 2.960 2.484 2.268 3.026 0.066 11 0 "[ . 1 . 2]" 1
1174 2 58 LYS HB3 2 58 LYS HD2 . . 3.050 2.825 2.687 3.134 0.084 11 0 "[ . 1 . 2]" 1
1175 2 58 LYS H 2 58 LYS HD3 . . 4.410 3.027 2.565 4.006 . 0 0 "[ . 1 . 2]" 1
1176 2 58 LYS HB3 2 58 LYS HD3 . . 3.870 3.744 3.668 3.908 0.038 17 0 "[ . 1 . 2]" 1
1177 2 58 LYS HB2 2 58 LYS HD2 . . 3.710 3.673 3.648 3.725 0.015 13 0 "[ . 1 . 2]" 1
1178 2 58 LYS HB2 2 58 LYS HG2 . . 2.610 2.319 2.287 2.382 . 0 0 "[ . 1 . 2]" 1
1179 2 58 LYS HD2 2 58 LYS HG2 . . 2.920 2.880 2.522 2.994 0.074 15 0 "[ . 1 . 2]" 1
1180 2 59 LEU H 2 59 LEU MD2 . . 4.270 4.032 3.681 4.288 0.018 8 0 "[ . 1 . 2]" 1
1181 2 53 LEU QD 2 54 SER HA . . 4.370 3.861 3.511 4.592 0.222 6 0 "[ . 1 . 2]" 1
1182 2 59 LEU HA 2 59 LEU HG . . 2.860 2.721 2.447 3.310 0.450 20 0 "[ . 1 . 2]" 1
1183 2 59 LEU H 2 59 LEU MD1 . . 4.270 3.693 3.314 4.359 0.089 20 0 "[ . 1 . 2]" 1
1184 2 66 ILE HA 2 66 ILE HG13 . . 2.990 2.364 2.259 2.429 . 0 0 "[ . 1 . 2]" 1
1185 2 66 ILE HB 2 66 ILE MD . . 3.590 2.174 2.086 2.258 . 0 0 "[ . 1 . 2]" 1
1186 2 66 ILE HA 2 66 ILE HG12 . . 3.440 3.470 3.411 3.535 0.095 3 0 "[ . 1 . 2]" 1
1187 2 66 ILE H 2 66 ILE HG13 . . 4.640 4.693 4.652 4.722 0.082 18 0 "[ . 1 . 2]" 1
1188 2 66 ILE H 2 66 ILE HG12 . . 5.500 4.822 4.692 4.969 . 0 0 "[ . 1 . 2]" 1
1189 2 66 ILE HG12 2 66 ILE MG . . 3.450 2.168 2.137 2.217 . 0 0 "[ . 1 . 2]" 1
1190 2 66 ILE H 2 66 ILE MD . . 4.950 4.776 4.545 4.895 . 0 0 "[ . 1 . 2]" 1
1191 2 67 VAL HA 2 67 VAL MG2 . . 3.400 3.222 3.195 3.244 . 0 0 "[ . 1 . 2]" 1
1192 2 67 VAL HA 2 67 VAL MG1 . . 3.010 2.357 2.256 2.554 . 0 0 "[ . 1 . 2]" 1
1193 2 67 VAL HB 2 68 THR HA . . 4.590 4.222 3.971 4.506 . 0 0 "[ . 1 . 2]" 1
1194 2 66 ILE HG12 2 67 VAL MG1 . . 5.340 5.212 4.989 5.378 0.038 11 0 "[ . 1 . 2]" 1
1195 2 70 VAL H 2 70 VAL MG1 . . 4.200 3.577 2.371 3.996 . 0 0 "[ . 1 . 2]" 1
1196 2 71 ILE HA 2 71 ILE MD . . 3.600 2.412 2.329 2.499 . 0 0 "[ . 1 . 2]" 1
1197 2 71 ILE HB 2 71 ILE MD . . 3.370 3.256 3.217 3.282 . 0 0 "[ . 1 . 2]" 1
1198 2 71 ILE HA 2 71 ILE HG13 . . 4.030 3.945 3.820 4.045 0.015 11 0 "[ . 1 . 2]" 1
1199 2 71 ILE HA 2 71 ILE HG12 . . 4.030 3.555 3.367 3.739 . 0 0 "[ . 1 . 2]" 1
1200 2 71 ILE H 2 71 ILE MG . . 4.440 3.893 3.853 3.943 . 0 0 "[ . 1 . 2]" 1
1201 2 71 ILE H 2 71 ILE MD . . 4.140 3.158 2.718 3.362 . 0 0 "[ . 1 . 2]" 1
1202 2 71 ILE MD 2 71 ILE MG . . 2.640 2.307 2.149 2.628 . 0 0 "[ . 1 . 2]" 1
1203 2 40 LYS HA 2 43 GLN QG . . 4.020 2.209 2.018 3.015 . 0 0 "[ . 1 . 2]" 1
1204 2 73 GLN H 2 73 GLN QG . . 4.100 3.879 2.230 4.171 0.071 13 0 "[ . 1 . 2]" 1
1205 2 73 GLN HA 2 73 GLN QG . . 3.520 2.304 2.127 3.279 . 0 0 "[ . 1 . 2]" 1
1206 1 81 THR MG 2 69 CYS H . . 4.470 3.927 3.532 4.370 . 0 0 "[ . 1 . 2]" 1
1207 2 90 SER H 2 90 SER QB . . 3.470 2.471 2.199 2.899 . 0 0 "[ . 1 . 2]" 1
1208 2 91 THR HA 2 91 THR MG . . 3.380 2.234 2.171 2.288 . 0 0 "[ . 1 . 2]" 1
1209 2 91 THR H 2 91 THR MG . . 3.730 3.508 2.708 3.759 0.029 19 0 "[ . 1 . 2]" 1
1210 2 96 THR HA 2 96 THR MG . . 3.410 3.258 3.231 3.275 . 0 0 "[ . 1 . 2]" 1
1211 2 97 VAL HA 2 97 VAL MG2 . . 3.480 2.644 2.554 2.795 . 0 0 "[ . 1 . 2]" 1
1212 2 98 ARG HA 2 98 ARG HD3 . . 4.930 4.540 3.877 4.903 . 0 0 "[ . 1 . 2]" 1
1213 2 98 ARG HA 2 98 ARG HD2 . . 4.930 4.445 2.338 4.878 . 0 0 "[ . 1 . 2]" 1
1214 2 98 ARG HA 2 99 TRP HB2 . . 5.290 4.337 4.155 4.570 . 0 0 "[ . 1 . 2]" 1
1215 2 98 ARG QB 2 98 ARG HD3 . . 3.530 2.533 2.285 3.564 0.034 13 0 "[ . 1 . 2]" 1
1216 2 102 LYS HA 2 102 LYS QD . . 3.770 3.304 2.394 3.779 0.009 20 0 "[ . 1 . 2]" 1
1217 2 102 LYS HA 2 102 LYS HG2 . . 3.620 2.217 2.067 2.388 . 0 0 "[ . 1 . 2]" 1
1218 2 102 LYS HA 2 102 LYS QE . . 4.000 3.334 2.053 4.077 0.077 16 0 "[ . 1 . 2]" 1
1219 2 102 LYS HB3 2 102 LYS QE . . 4.370 3.556 2.255 4.154 . 0 0 "[ . 1 . 2]" 1
1220 2 24 LYS HB2 2 24 LYS QE . . 3.740 3.821 3.666 3.882 0.142 10 0 "[ . 1 . 2]" 1
1221 2 102 LYS HB2 2 102 LYS QD . . 3.080 3.138 2.726 3.271 0.191 17 0 "[ . 1 . 2]" 1
1222 2 102 LYS HB3 2 102 LYS QD . . 2.400 2.235 2.178 2.326 . 0 0 "[ . 1 . 2]" 1
1223 2 90 SER QB 2 126 LYS QD . . 4.840 4.452 2.412 4.945 0.105 3 0 "[ . 1 . 2]" 1
1224 2 102 LYS QD 2 102 LYS HG3 . . 2.680 2.254 2.112 2.389 . 0 0 "[ . 1 . 2]" 1
1225 2 102 LYS H 2 102 LYS HG2 . . 3.980 3.546 2.815 4.030 0.050 20 0 "[ . 1 . 2]" 1
1226 2 102 LYS H 2 102 LYS HG3 . . 3.980 3.741 3.181 4.134 0.154 17 0 "[ . 1 . 2]" 1
1227 2 102 LYS H 2 102 LYS HB3 . . 3.560 3.292 2.790 3.560 . 0 0 "[ . 1 . 2]" 1
1228 2 109 SER H 2 109 SER HB3 . . 3.830 2.896 2.525 3.682 . 0 0 "[ . 1 . 2]" 1
1229 2 110 ALA H 2 110 ALA MB . . 3.160 2.431 2.298 2.568 . 0 0 "[ . 1 . 2]" 1
1230 2 107 ILE HA 2 107 ILE HG13 . . 3.640 3.668 3.644 3.690 0.050 9 0 "[ . 1 . 2]" 1
1231 2 107 ILE HA 2 107 ILE MG . . 3.360 2.278 2.250 2.346 . 0 0 "[ . 1 . 2]" 1
1232 2 107 ILE HA 2 107 ILE HG12 . . 4.110 4.073 3.902 4.188 0.078 19 0 "[ . 1 . 2]" 1
1233 2 107 ILE HB 2 107 ILE HG12 . . 3.000 2.917 2.729 3.027 0.027 2 0 "[ . 1 . 2]" 1
1234 2 107 ILE H 2 107 ILE MG . . 3.960 2.961 2.440 3.250 . 0 0 "[ . 1 . 2]" 1
1235 2 107 ILE HG13 2 107 ILE MG . . 3.110 3.021 2.755 3.169 0.059 2 0 "[ . 1 . 2]" 1
1236 2 69 CYS HA 2 107 ILE MD . . 4.410 4.059 3.438 4.442 0.032 2 0 "[ . 1 . 2]" 1
1237 2 107 ILE MD 2 108 VAL HA . . 5.040 4.298 3.444 4.927 . 0 0 "[ . 1 . 2]" 1
1238 2 107 ILE H 2 107 ILE MD . . 4.210 3.877 3.688 4.028 . 0 0 "[ . 1 . 2]" 1
1239 2 107 ILE MD 2 107 ILE MG . . 3.000 2.660 2.243 3.039 0.039 19 0 "[ . 1 . 2]" 1
1240 2 108 VAL HA 2 108 VAL MG2 . . 3.680 2.370 2.304 2.604 . 0 0 "[ . 1 . 2]" 1
1241 2 108 VAL HA 2 108 VAL MG1 . . 3.680 3.187 2.320 3.296 . 0 0 "[ . 1 . 2]" 1
1242 2 108 VAL H 2 108 VAL MG1 . . 3.790 2.392 2.118 3.874 0.084 18 0 "[ . 1 . 2]" 1
1243 2 113 LEU HA 2 113 LEU HG . . 4.000 3.742 3.607 4.179 0.179 14 0 "[ . 1 . 2]" 1
1244 2 113 LEU HA 2 113 LEU MD1 . . 3.960 2.351 2.068 3.711 . 0 0 "[ . 1 . 2]" 1
1245 2 112 GLY H 2 113 LEU MD1 . . 5.500 3.563 1.930 5.151 . 0 0 "[ . 1 . 2]" 1
1246 2 113 LEU HA 2 113 LEU MD2 . . 3.960 3.368 2.806 4.027 0.067 12 0 "[ . 1 . 2]" 1
1247 2 115 ILE HA 2 115 ILE HG13 . . 4.240 3.762 2.533 4.248 0.008 5 0 "[ . 1 . 2]" 1
1248 2 115 ILE HA 2 115 ILE HG12 . . 4.240 3.914 3.642 4.246 0.006 11 0 "[ . 1 . 2]" 1
1249 2 115 ILE HA 2 115 ILE MG . . 2.980 2.329 2.143 2.546 . 0 0 "[ . 1 . 2]" 1
1250 2 133 THR HA 2 133 THR MG . . 2.860 2.382 2.295 2.451 . 0 0 "[ . 1 . 2]" 1
1251 2 134 GLN HA 2 134 GLN HG2 . . 3.430 2.738 2.440 2.862 . 0 0 "[ . 1 . 2]" 1
1252 2 82 ALA H 2 134 GLN HG3 . . 5.280 4.860 4.435 5.355 0.075 16 0 "[ . 1 . 2]" 1
1253 2 142 ILE HA 2 142 ILE MG . . 2.860 2.336 2.294 2.487 . 0 0 "[ . 1 . 2]" 1
1254 2 142 ILE HA 2 142 ILE MD . . 4.080 3.803 3.785 3.854 . 0 0 "[ . 1 . 2]" 1
1255 2 142 ILE H 2 142 ILE HB . . 4.130 3.662 2.196 3.891 . 0 0 "[ . 1 . 2]" 1
1256 2 142 ILE H 2 142 ILE MG . . 3.380 3.150 2.852 3.605 0.225 4 0 "[ . 1 . 2]" 1
1257 2 22 ILE MG 2 26 ALA MB . . 5.500 2.849 2.721 3.087 . 0 0 "[ . 1 . 2]" 1
1258 2 142 ILE MD 2 142 ILE MG . . 2.400 2.150 2.106 2.428 0.028 1 0 "[ . 1 . 2]" 1
1259 2 7 GLN H 2 7 GLN HB2 . . 3.670 3.037 2.290 3.347 . 0 0 "[ . 1 . 2]" 1
1260 2 121 GLN H 2 121 GLN HB2 . . 4.180 2.912 1.913 3.884 . 0 0 "[ . 1 . 2]" 1
1261 2 121 GLN H 2 121 GLN HB3 . . 4.180 3.215 2.416 3.775 . 0 0 "[ . 1 . 2]" 1
1262 2 125 ILE HA 2 125 ILE HB . . 2.930 2.443 2.391 2.499 . 0 0 "[ . 1 . 2]" 1
1263 2 125 ILE HB 2 125 ILE MD . . 3.520 2.324 2.158 3.270 . 0 0 "[ . 1 . 2]" 1
1264 2 43 GLN QB 2 46 THR MG . . 5.500 3.359 3.310 3.434 . 0 0 "[ . 1 . 2]" 1
1265 2 125 ILE HA 2 125 ILE HG13 . . 4.100 3.728 3.663 4.214 0.114 8 0 "[ . 1 . 2]" 1
1266 2 125 ILE HA 2 125 ILE MG . . 2.900 2.275 2.216 2.331 . 0 0 "[ . 1 . 2]" 1
1267 2 125 ILE HA 2 125 ILE MD . . 4.320 4.052 3.745 4.227 . 0 0 "[ . 1 . 2]" 1
1268 2 125 ILE H 2 125 ILE MD . . 4.020 3.780 1.815 4.046 0.026 13 0 "[ . 1 . 2]" 1
1269 2 126 LYS HA 2 126 LYS QE . . 5.500 4.040 1.905 4.699 . 0 0 "[ . 1 . 2]" 1
1270 2 21 ASN HA 2 24 LYS QE . . 3.720 3.781 3.751 3.831 0.111 18 0 "[ . 1 . 2]" 1
1271 2 126 LYS HA 2 126 LYS QD . . 3.950 3.713 2.658 4.021 0.071 5 0 "[ . 1 . 2]" 1
1272 2 102 LYS QD 2 102 LYS HG2 . . 2.680 2.435 2.344 2.540 . 0 0 "[ . 1 . 2]" 1
1273 2 126 LYS QE 2 126 LYS HG3 . . 3.660 2.804 2.242 3.557 . 0 0 "[ . 1 . 2]" 1
1274 2 127 LEU HA 2 127 LEU HG . . 3.450 3.027 2.397 3.583 0.133 14 0 "[ . 1 . 2]" 1
1275 2 127 LEU HA 2 127 LEU MD2 . . 4.010 2.479 2.149 3.967 . 0 0 "[ . 1 . 2]" 1
1276 2 127 LEU H 2 127 LEU HG . . 4.340 3.082 2.169 4.413 0.073 1 0 "[ . 1 . 2]" 1
1277 2 127 LEU H 2 127 LEU MD1 . . 4.460 3.779 2.275 4.482 0.022 16 0 "[ . 1 . 2]" 1
1278 2 127 LEU HA 2 127 LEU MD1 . . 4.010 3.602 2.168 3.947 . 0 0 "[ . 1 . 2]" 1
1279 2 131 LYS H 2 131 LYS QE . . 5.070 4.904 1.790 5.112 0.042 6 0 "[ . 1 . 2]" 1
1280 2 131 LYS HA 2 131 LYS QE . . 3.230 3.125 2.916 3.484 0.254 20 0 "[ . 1 . 2]" 1
1281 2 131 LYS QB 2 131 LYS QD . . 2.850 2.813 2.334 2.867 0.017 8 0 "[ . 1 . 2]" 1
1282 2 23 VAL H 2 24 LYS QD . . 4.820 4.328 4.071 4.838 0.018 9 0 "[ . 1 . 2]" 1
1283 2 131 LYS HA 2 131 LYS QD . . 3.420 2.438 2.221 3.727 0.307 20 0 "[ . 1 . 2]" 1
1284 2 132 ILE HA 2 132 ILE MD . . 3.090 2.236 2.110 2.317 . 0 0 "[ . 1 . 2]" 1
1285 2 132 ILE H 2 132 ILE HG12 . . 4.010 2.077 1.911 2.507 . 0 0 "[ . 1 . 2]" 1
1286 2 132 ILE H 2 132 ILE HG13 . . 4.010 3.584 3.454 3.904 . 0 0 "[ . 1 . 2]" 1
1287 2 132 ILE HA 2 132 ILE HG12 . . 3.820 3.340 3.248 3.463 . 0 0 "[ . 1 . 2]" 1
1288 2 132 ILE HA 2 132 ILE HG13 . . 3.820 3.824 3.739 3.847 0.027 5 0 "[ . 1 . 2]" 1
1289 2 132 ILE MD 2 132 ILE MG . . 2.400 2.205 2.159 2.334 . 0 0 "[ . 1 . 2]" 1
1290 2 132 ILE H 2 132 ILE MD . . 3.910 2.961 2.682 3.416 . 0 0 "[ . 1 . 2]" 1
1291 2 135 VAL HA 2 135 VAL MG2 . . 3.540 2.407 2.355 2.515 . 0 0 "[ . 1 . 2]" 1
1292 2 140 ARG HA 2 141 GLU H . . 3.440 2.901 2.046 3.514 0.074 3 0 "[ . 1 . 2]" 1
1293 2 140 ARG HA 2 140 ARG HG3 . . 4.240 2.754 2.229 3.713 . 0 0 "[ . 1 . 2]" 1
1294 2 140 ARG HB3 2 140 ARG QD . . 3.640 3.144 2.256 3.533 . 0 0 "[ . 1 . 2]" 1
1295 2 140 ARG HG2 2 141 GLU H . . 4.480 4.074 3.017 4.560 0.080 10 0 "[ . 1 . 2]" 1
1296 2 140 ARG HG3 2 141 GLU H . . 4.480 3.599 2.176 4.451 . 0 0 "[ . 1 . 2]" 1
1297 2 140 ARG HA 2 140 ARG HG2 . . 4.240 3.344 2.407 3.825 . 0 0 "[ . 1 . 2]" 1
1298 2 140 ARG HB3 2 140 ARG HG3 . . 2.960 2.593 2.426 2.777 . 0 0 "[ . 1 . 2]" 1
1299 2 140 ARG HB2 2 140 ARG HG2 . . 2.960 2.589 2.420 2.763 . 0 0 "[ . 1 . 2]" 1
1300 2 140 ARG HB2 2 140 ARG HG3 . . 2.960 2.847 2.290 3.040 0.080 8 0 "[ . 1 . 2]" 1
1301 2 141 GLU HA 2 141 GLU HB2 . . 2.970 2.819 2.460 3.032 0.062 1 0 "[ . 1 . 2]" 1
1302 2 141 GLU HA 2 141 GLU QG . . 3.560 2.527 2.095 3.484 . 0 0 "[ . 1 . 2]" 1
1303 2 141 GLU HA 2 141 GLU HB3 . . 2.970 2.730 2.389 3.026 0.056 9 0 "[ . 1 . 2]" 1
1304 2 95 CYS HA 2 96 THR HB . . 5.020 4.668 4.388 5.022 0.002 14 0 "[ . 1 . 2]" 1
1305 2 81 THR HB 2 135 VAL HA . . 5.500 5.262 4.999 5.542 0.042 2 0 "[ . 1 . 2]" 1
1306 2 19 VAL HA 2 22 ILE HA . . 5.120 5.092 4.845 5.224 0.104 13 0 "[ . 1 . 2]" 1
1307 2 19 VAL HA 2 20 SER QB . . 5.340 5.171 5.112 5.397 0.057 6 0 "[ . 1 . 2]" 1
1308 2 22 ILE HB 2 23 VAL HA . . 5.500 4.304 4.242 4.392 . 0 0 "[ . 1 . 2]" 1
1309 2 23 VAL HA 2 27 ILE HG13 . . 3.960 3.910 3.816 4.013 0.053 8 0 "[ . 1 . 2]" 1
1310 2 23 VAL HA 2 26 ALA MB . . 3.480 2.731 2.609 2.873 . 0 0 "[ . 1 . 2]" 1
1311 2 67 VAL HA 2 68 THR H . . 3.430 2.178 2.094 2.270 . 0 0 "[ . 1 . 2]" 1
1312 2 102 LYS HA 2 103 THR HB . . 5.270 4.945 4.670 5.164 . 0 0 "[ . 1 . 2]" 1
1313 2 123 GLY HA3 2 124 PRO QD . . 3.520 2.363 2.084 3.528 0.008 13 0 "[ . 1 . 2]" 1
1314 2 79 LEU H 2 79 LEU MD1 . . 4.490 2.836 2.004 4.253 . 0 0 "[ . 1 . 2]" 1
1315 2 22 ILE HB 2 56 LEU HG . . 5.500 5.419 3.689 5.642 0.142 7 0 "[ . 1 . 2]" 1
1316 2 22 ILE MG 2 56 LEU HG . . 5.280 4.388 3.495 4.773 . 0 0 "[ . 1 . 2]" 1
1317 2 52 THR MG 2 56 LEU HG . . 5.500 4.014 3.841 4.226 . 0 0 "[ . 1 . 2]" 1
1318 2 53 LEU QD 2 56 LEU HG . . 4.670 3.073 2.569 3.662 . 0 0 "[ . 1 . 2]" 1
1319 2 57 THR MG 2 58 LYS H . . 3.830 3.617 3.146 3.791 . 0 0 "[ . 1 . 2]" 1
1320 2 57 THR MG 2 62 PRO HA . . 4.820 3.118 2.138 4.329 . 0 0 "[ . 1 . 2]" 1
1321 2 15 VAL MG1 2 17 ASP HB2 . . 4.890 3.572 2.452 4.240 . 0 0 "[ . 1 . 2]" 1
1322 2 27 ILE HA 2 27 ILE MD . . 3.850 3.879 3.861 3.894 0.044 2 0 "[ . 1 . 2]" 1
1323 2 27 ILE MD 2 28 GLU H . . 4.340 4.393 4.361 4.417 0.077 13 0 "[ . 1 . 2]" 1
1324 2 27 ILE H 2 27 ILE MD . . 4.240 3.465 3.427 3.507 . 0 0 "[ . 1 . 2]" 1
1325 2 6 TYR HA 2 6 TYR QD . . 3.740 2.838 2.326 3.771 0.031 1 0 "[ . 1 . 2]" 1
1326 2 68 THR HB 2 69 CYS H . . 4.260 3.346 2.493 4.025 . 0 0 "[ . 1 . 2]" 1
1327 2 49 VAL H 2 50 GLU H . . 3.590 2.777 2.736 2.823 . 0 0 "[ . 1 . 2]" 1
1328 2 44 TRP H 2 45 THR H . . 4.330 2.691 2.640 2.739 . 0 0 "[ . 1 . 2]" 1
1329 2 45 THR H 2 46 THR H . . 4.040 2.858 2.825 2.878 . 0 0 "[ . 1 . 2]" 1
1330 2 42 ASN H 2 43 GLN H . . 2.960 2.736 2.667 2.838 . 0 0 "[ . 1 . 2]" 1
1331 2 30 ALA H 2 31 ILE H . . 2.740 2.686 2.455 2.756 0.016 17 0 "[ . 1 . 2]" 1
1332 2 115 ILE H 2 116 GLY H . . 3.270 2.562 2.187 2.957 . 0 0 "[ . 1 . 2]" 1
1333 2 103 THR H 2 104 MET H . . 3.030 2.083 1.800 2.502 . 0 0 "[ . 1 . 2]" 1
1334 2 21 ASN H 2 22 ILE H . . 3.880 2.213 2.128 2.392 . 0 0 "[ . 1 . 2]" 1
1335 2 57 THR H 2 58 LYS H . . 3.720 2.620 2.525 2.754 . 0 0 "[ . 1 . 2]" 1
1336 2 22 ILE H 2 23 VAL H . . 3.280 2.927 2.850 2.965 . 0 0 "[ . 1 . 2]" 1
1337 2 100 GLU HA 2 101 ASN H . . 3.270 2.358 2.212 2.465 . 0 0 "[ . 1 . 2]" 1
1338 2 18 GLU H 2 19 VAL H . . 3.660 2.484 2.133 2.667 . 0 0 "[ . 1 . 2]" 1
1339 2 54 SER H 2 55 GLN H . . 3.400 2.770 2.615 2.869 . 0 0 "[ . 1 . 2]" 1
1340 2 55 GLN H 2 56 LEU H . . 3.710 2.893 2.730 3.012 . 0 0 "[ . 1 . 2]" 1
1341 2 131 LYS QD 2 132 ILE H . . 5.500 4.142 3.866 4.503 . 0 0 "[ . 1 . 2]" 1
1342 2 84 SER HA 2 133 THR H . . 4.330 3.264 3.057 3.490 . 0 0 "[ . 1 . 2]" 1
1343 2 87 TRP HE1 2 89 SER HB3 . . 4.930 4.444 3.348 5.034 0.104 8 0 "[ . 1 . 2]" 1
1344 2 86 PHE QD 2 87 TRP H . . 4.500 4.142 3.636 4.575 0.075 20 0 "[ . 1 . 2]" 1
1345 2 81 THR HB 2 82 ALA H . . 4.090 4.061 3.479 4.177 0.087 10 0 "[ . 1 . 2]" 1
1346 2 125 ILE H 2 125 ILE MG . . 3.060 2.702 2.195 3.081 0.021 12 0 "[ . 1 . 2]" 1
1347 2 125 ILE H 2 125 ILE HG13 . . 3.500 2.585 2.080 3.580 0.080 8 0 "[ . 1 . 2]" 1
1348 2 131 LYS HA 2 132 ILE H . . 3.330 2.463 2.212 2.681 . 0 0 "[ . 1 . 2]" 1
1349 2 141 GLU HA 2 142 ILE H . . 3.390 2.408 2.075 2.659 . 0 0 "[ . 1 . 2]" 1
1350 2 31 ILE H 2 32 GLY H . . 3.310 2.752 2.688 2.829 . 0 0 "[ . 1 . 2]" 1
1351 2 27 ILE H 2 48 VAL MG2 . . 5.500 3.944 3.515 4.162 . 0 0 "[ . 1 . 2]" 1
1352 2 22 ILE H 2 22 ILE HG13 . . 3.070 1.989 1.932 2.108 . 0 0 "[ . 1 . 2]" 1
1353 2 107 ILE H 2 107 ILE HG12 . . 3.440 3.069 2.733 3.469 0.029 20 0 "[ . 1 . 2]" 1
1354 2 103 THR H 2 103 THR MG . . 3.860 2.374 2.217 2.444 . 0 0 "[ . 1 . 2]" 1
1355 2 118 GLY QA 2 119 SER H . . 2.670 2.252 2.120 2.492 . 0 0 "[ . 1 . 2]" 1
1356 2 67 VAL H 2 110 ALA HA . . 4.870 4.763 4.633 4.888 0.018 17 0 "[ . 1 . 2]" 1
1357 2 67 VAL H 2 67 VAL HB . . 4.150 3.930 3.829 4.029 . 0 0 "[ . 1 . 2]" 1
1358 2 67 VAL H 2 68 THR H . . 4.520 4.304 4.259 4.378 . 0 0 "[ . 1 . 2]" 1
1359 2 132 ILE H 2 132 ILE MG . . 3.950 3.803 3.769 3.874 . 0 0 "[ . 1 . 2]" 1
1360 2 40 LYS H 2 40 LYS QG . . 3.790 2.915 2.428 3.475 . 0 0 "[ . 1 . 2]" 1
1361 2 79 LEU H 2 79 LEU MD2 . . 4.490 3.328 1.991 4.408 . 0 0 "[ . 1 . 2]" 1
1362 2 41 VAL H 2 42 ASN H . . 3.890 2.926 2.831 3.058 . 0 0 "[ . 1 . 2]" 1
1363 2 26 ALA HA 2 28 GLU H . . 5.500 4.852 4.775 4.967 . 0 0 "[ . 1 . 2]" 1
1364 2 28 GLU H 2 28 GLU HB2 . . 2.810 2.640 2.553 2.743 . 0 0 "[ . 1 . 2]" 1
1365 2 40 LYS QG 2 41 VAL H . . 5.500 4.462 4.222 4.646 . 0 0 "[ . 1 . 2]" 1
1366 2 48 VAL H 2 48 VAL MG1 . . 3.790 3.788 3.776 3.797 0.007 16 0 "[ . 1 . 2]" 1
1367 2 50 GLU H 2 52 THR HB . . 4.650 4.567 4.487 4.626 . 0 0 "[ . 1 . 2]" 1
1368 2 48 VAL HB 2 50 GLU H . . 4.760 4.582 4.522 4.648 . 0 0 "[ . 1 . 2]" 1
1369 2 50 GLU H 2 51 GLN H . . 3.700 2.773 2.682 2.905 . 0 0 "[ . 1 . 2]" 1
1370 2 135 VAL MG2 2 136 ASP H . . 4.760 3.206 2.499 3.480 . 0 0 "[ . 1 . 2]" 1
1371 2 143 VAL H 2 143 VAL HB . . 3.710 2.962 2.558 3.754 0.044 8 0 "[ . 1 . 2]" 1
1372 2 71 ILE MG 2 72 MET H . . 3.280 3.079 2.762 3.342 0.062 16 0 "[ . 1 . 2]" 1
1373 2 82 ALA HA 2 83 SER H . . 3.370 2.168 2.122 2.213 . 0 0 "[ . 1 . 2]" 1
1374 2 83 SER H 2 134 GLN HA . . 4.010 2.919 2.607 3.156 . 0 0 "[ . 1 . 2]" 1
1375 2 82 ALA MB 2 83 SER H . . 3.620 3.095 2.825 3.447 . 0 0 "[ . 1 . 2]" 1
1376 2 83 SER H 2 132 ILE MG . . 3.840 3.515 3.223 3.839 . 0 0 "[ . 1 . 2]" 1
1377 2 113 LEU H 2 113 LEU MD2 . . 4.430 2.118 1.780 3.980 . 0 0 "[ . 1 . 2]" 1
1378 2 9 ALA MB 2 10 GLU H . . 3.780 3.376 2.704 3.780 0.000 19 0 "[ . 1 . 2]" 1
1379 2 10 GLU HA 2 12 THR H . . 4.670 3.935 3.407 4.594 . 0 0 "[ . 1 . 2]" 1
1380 2 11 GLU HB3 2 12 THR H . . 4.270 4.155 3.789 4.286 0.016 16 0 "[ . 1 . 2]" 1
1381 2 9 ALA MB 2 12 THR H . . 4.500 3.563 2.856 4.349 . 0 0 "[ . 1 . 2]" 1
1382 2 19 VAL MG2 2 20 SER H . . 4.130 3.816 2.227 4.032 . 0 0 "[ . 1 . 2]" 1
1383 2 19 VAL H 2 20 SER H . . 3.840 2.926 2.851 3.028 . 0 0 "[ . 1 . 2]" 1
1384 2 25 GLU HB3 2 26 ALA H . . 4.070 4.089 4.071 4.103 0.033 4 0 "[ . 1 . 2]" 1
1385 2 25 GLU H 2 26 ALA H . . 2.980 2.796 2.758 2.822 . 0 0 "[ . 1 . 2]" 1
1386 2 28 GLU H 2 29 SER H . . 3.050 2.861 2.808 2.916 . 0 0 "[ . 1 . 2]" 1
1387 2 29 SER QB 2 30 ALA H . . 4.040 2.711 2.427 3.595 . 0 0 "[ . 1 . 2]" 1
1388 2 25 GLU HA 2 28 GLU H . . 4.650 3.811 3.673 3.945 . 0 0 "[ . 1 . 2]" 1
1389 2 26 ALA MB 2 28 GLU H . . 5.500 4.858 4.813 4.948 . 0 0 "[ . 1 . 2]" 1
1390 2 34 ASN H 2 44 TRP HZ2 . . 5.500 5.429 4.106 5.606 0.106 3 0 "[ . 1 . 2]" 1
1391 2 32 GLY QA 2 34 ASN H . . 4.410 3.822 3.486 4.099 . 0 0 "[ . 1 . 2]" 1
1392 2 33 GLY QA 2 34 ASN H . . 3.350 2.945 2.784 3.017 . 0 0 "[ . 1 . 2]" 1
1393 2 31 ILE MG 2 34 ASN H . . 3.990 2.291 1.853 4.106 0.116 17 0 "[ . 1 . 2]" 1
1394 2 33 GLY H 2 34 ASN H . . 3.200 2.691 2.565 2.968 . 0 0 "[ . 1 . 2]" 1
1395 2 27 ILE MG 2 28 GLU H . . 3.940 3.021 2.930 3.119 . 0 0 "[ . 1 . 2]" 1
1396 2 46 THR MG 2 47 ASN H . . 2.910 2.109 2.043 2.159 . 0 0 "[ . 1 . 2]" 1
1397 2 44 TRP HB3 2 45 THR H . . 3.890 3.361 3.303 3.403 . 0 0 "[ . 1 . 2]" 1
1398 2 44 TRP HB2 2 45 THR H . . 3.970 2.460 2.403 2.516 . 0 0 "[ . 1 . 2]" 1
1399 2 47 ASN HB2 2 48 VAL H . . 4.030 3.970 3.933 4.014 . 0 0 "[ . 1 . 2]" 1
1400 2 47 ASN HB3 2 48 VAL H . . 3.760 2.679 2.628 2.747 . 0 0 "[ . 1 . 2]" 1
1401 2 26 ALA MB 2 52 THR H . . 4.560 4.523 4.315 4.599 0.039 16 0 "[ . 1 . 2]" 1
1402 2 51 GLN H 2 51 GLN HB3 . . 3.700 3.696 3.642 3.732 0.032 14 0 "[ . 1 . 2]" 1
1403 2 48 VAL HA 2 51 GLN H . . 3.950 3.749 3.608 3.836 . 0 0 "[ . 1 . 2]" 1
1404 2 56 LEU H 2 56 LEU HG . . 4.130 2.213 2.032 4.035 . 0 0 "[ . 1 . 2]" 1
1405 2 22 ILE MG 2 56 LEU H . . 4.330 3.943 3.712 4.146 . 0 0 "[ . 1 . 2]" 1
1406 2 52 THR MG 2 56 LEU H . . 4.700 4.021 3.872 4.135 . 0 0 "[ . 1 . 2]" 1
1407 2 59 LEU H 2 59 LEU HB3 . . 3.580 3.460 1.937 3.623 0.043 7 0 "[ . 1 . 2]" 1
1408 2 56 LEU HA 2 59 LEU H . . 4.180 2.847 2.722 3.034 . 0 0 "[ . 1 . 2]" 1
1409 2 57 THR H 2 59 LEU H . . 4.030 4.096 4.029 4.156 0.126 12 0 "[ . 1 . 2]" 1
1410 2 57 THR HB 2 58 LYS H . . 4.080 2.933 2.750 3.161 . 0 0 "[ . 1 . 2]" 1
1411 2 58 LYS H 2 58 LYS HB3 . . 3.830 3.767 3.668 3.807 . 0 0 "[ . 1 . 2]" 1
1412 2 58 LYS H 2 58 LYS HB2 . . 3.570 2.876 2.834 2.958 . 0 0 "[ . 1 . 2]" 1
1413 2 65 TYR H 2 65 TYR HB2 . . 3.960 3.463 2.309 4.024 0.064 20 0 "[ . 1 . 2]" 1
1414 2 92 ASP HB2 2 93 GLY H . . 3.610 3.171 2.137 3.699 0.089 12 0 "[ . 1 . 2]" 1
1415 2 92 ASP HB3 2 93 GLY H . . 3.610 2.216 1.871 2.946 . 0 0 "[ . 1 . 2]" 1
1416 2 90 SER H 2 92 ASP H . . 4.370 4.289 3.863 4.448 0.078 17 0 "[ . 1 . 2]" 1
1417 2 72 MET HA 2 73 GLN H . . 3.430 2.295 2.072 2.414 . 0 0 "[ . 1 . 2]" 1
1418 2 81 THR H 2 82 ALA H . . 4.490 4.454 4.394 4.533 0.043 4 0 "[ . 1 . 2]" 1
1419 2 81 THR MG 2 82 ALA H . . 4.080 2.537 2.409 2.862 . 0 0 "[ . 1 . 2]" 1
1420 2 87 TRP H 2 88 ASP H . . 4.640 4.555 4.440 4.636 . 0 0 "[ . 1 . 2]" 1
1421 1 82 ALA H 2 70 VAL HA . . 5.500 3.652 3.254 3.981 . 0 0 "[ . 1 . 2]" 1
1422 2 88 ASP HA 2 90 SER H . . 5.300 4.518 3.657 4.760 . 0 0 "[ . 1 . 2]" 1
1423 2 94 SER HB2 2 95 CYS H . . 3.900 3.219 2.292 3.944 0.044 15 0 "[ . 1 . 2]" 1
1424 2 94 SER HB3 2 95 CYS H . . 3.900 3.449 2.218 4.062 0.162 14 0 "[ . 1 . 2]" 1
1425 2 95 CYS HA 2 96 THR H . . 3.330 2.299 2.143 2.514 . 0 0 "[ . 1 . 2]" 1
1426 2 109 SER H 2 109 SER HB2 . . 3.830 3.144 2.474 3.880 0.050 10 0 "[ . 1 . 2]" 1
1427 2 99 TRP HB2 2 100 GLU H . . 4.480 4.394 3.743 4.565 0.085 16 0 "[ . 1 . 2]" 1
1428 2 113 LEU H 2 113 LEU HG . . 4.140 3.897 2.444 4.190 0.050 13 0 "[ . 1 . 2]" 1
1429 2 125 ILE MD 2 126 LYS H . . 4.980 4.459 3.508 4.995 0.015 5 0 "[ . 1 . 2]" 1
1430 2 125 ILE HB 2 126 LYS H . . 4.140 3.099 2.334 4.057 . 0 0 "[ . 1 . 2]" 1
1431 2 86 PHE H 2 86 PHE HB2 . . 4.070 3.770 2.741 4.024 . 0 0 "[ . 1 . 2]" 1
1432 2 11 GLU HA 2 13 ALA H . . 4.410 4.124 3.594 4.503 0.093 12 0 "[ . 1 . 2]" 1
1433 2 12 THR HB 2 13 ALA H . . 4.750 4.173 4.049 4.325 . 0 0 "[ . 1 . 2]" 1
1434 2 13 ALA H 2 14 PHE H . . 4.880 4.609 4.430 4.705 . 0 0 "[ . 1 . 2]" 1
1435 2 12 THR H 2 13 ALA H . . 3.530 2.407 2.028 2.866 . 0 0 "[ . 1 . 2]" 1
1436 2 13 ALA HA 2 14 PHE H . . 3.540 2.264 2.115 2.485 . 0 0 "[ . 1 . 2]" 1
1437 2 14 PHE H 2 60 GLY QA . . 4.730 2.931 2.270 3.916 . 0 0 "[ . 1 . 2]" 1
1438 2 129 MET H 2 129 MET QG . . 4.250 3.501 2.249 4.214 . 0 0 "[ . 1 . 2]" 1
1439 2 40 LYS H 2 41 VAL H . . 2.910 2.887 2.748 2.976 0.066 9 0 "[ . 1 . 2]" 1
1440 2 46 THR H 2 46 THR MG . . 3.380 2.307 2.239 2.382 . 0 0 "[ . 1 . 2]" 1
1441 2 53 LEU H 2 55 GLN H . . 4.240 4.180 4.014 4.310 0.070 11 0 "[ . 1 . 2]" 1
1442 2 52 THR MG 2 53 LEU H . . 3.380 3.180 2.967 3.296 . 0 0 "[ . 1 . 2]" 1
1443 2 53 LEU QD 2 54 SER H . . 4.070 3.803 3.672 4.038 . 0 0 "[ . 1 . 2]" 1
1444 2 123 GLY H 2 124 PRO QD . . 4.540 3.836 2.453 4.461 . 0 0 "[ . 1 . 2]" 1
1445 2 58 LYS HA 2 60 GLY H . . 4.990 3.847 3.342 4.197 . 0 0 "[ . 1 . 2]" 1
1446 2 60 GLY H 2 61 LYS H . . 3.830 3.354 2.575 4.014 0.184 17 0 "[ . 1 . 2]" 1
1447 2 70 VAL H 2 106 CYS HA . . 5.070 4.574 4.180 4.866 . 0 0 "[ . 1 . 2]" 1
1448 2 70 VAL H 2 71 ILE MD . . 4.050 3.263 2.659 3.797 . 0 0 "[ . 1 . 2]" 1
1449 2 70 VAL H 2 107 ILE MD . . 4.250 3.662 3.209 4.139 . 0 0 "[ . 1 . 2]" 1
1450 2 72 MET QG 2 73 GLN H . . 3.990 2.937 1.789 4.000 0.010 3 0 "[ . 1 . 2]" 1
1451 2 84 SER H 2 132 ILE MG . . 5.370 4.193 3.893 4.497 . 0 0 "[ . 1 . 2]" 1
1452 2 84 SER H 2 132 ILE MD . . 5.500 4.601 4.344 4.903 . 0 0 "[ . 1 . 2]" 1
1453 2 91 THR H 2 92 ASP H . . 3.480 2.732 2.411 2.940 . 0 0 "[ . 1 . 2]" 1
1454 2 91 THR H 2 91 THR HA . . 2.940 2.833 2.760 2.937 . 0 0 "[ . 1 . 2]" 1
1455 2 91 THR H 2 91 THR HB . . 3.540 3.015 2.780 3.411 . 0 0 "[ . 1 . 2]" 1
1456 2 97 VAL HB 2 98 ARG H . . 4.720 3.890 3.393 4.312 . 0 0 "[ . 1 . 2]" 1
1457 2 104 MET H 2 104 MET HG3 . . 4.360 3.399 2.829 4.105 . 0 0 "[ . 1 . 2]" 1
1458 2 108 VAL H 2 109 SER H . . 4.620 4.346 4.061 4.518 . 0 0 "[ . 1 . 2]" 1
1459 2 68 THR MG 2 109 SER H . . 5.500 4.902 3.290 5.530 0.030 8 0 "[ . 1 . 2]" 1
1460 2 96 THR HA 2 110 ALA H . . 5.500 2.839 2.523 3.205 . 0 0 "[ . 1 . 2]" 1
1461 2 96 THR MG 2 110 ALA H . . 4.900 4.712 4.413 4.974 0.074 18 0 "[ . 1 . 2]" 1
1462 2 67 VAL HA 2 111 PHE H . . 4.140 3.581 3.338 3.752 . 0 0 "[ . 1 . 2]" 1
1463 2 67 VAL MG1 2 111 PHE H . . 3.980 3.444 3.312 3.735 . 0 0 "[ . 1 . 2]" 1
1464 2 17 ASP H 2 17 ASP HB3 . . 3.720 2.620 2.463 3.052 . 0 0 "[ . 1 . 2]" 1
1465 2 113 LEU MD1 2 114 SER H . . 5.500 3.742 3.093 4.986 . 0 0 "[ . 1 . 2]" 1
1466 2 113 LEU MD2 2 114 SER H . . 5.500 4.825 3.830 5.221 . 0 0 "[ . 1 . 2]" 1
1467 2 115 ILE HB 2 116 GLY H . . 4.460 3.998 2.305 4.460 0.000 7 0 "[ . 1 . 2]" 1
1468 2 141 GLU H 2 141 GLU HA . . 2.940 2.924 2.847 2.983 0.043 16 0 "[ . 1 . 2]" 1
1469 2 22 ILE MG 2 26 ALA H . . 4.510 3.937 3.811 4.130 . 0 0 "[ . 1 . 2]" 1
1470 2 46 THR H 2 47 ASN H . . 3.990 2.741 2.650 2.815 . 0 0 "[ . 1 . 2]" 1
1471 2 53 LEU H 2 54 SER H . . 3.300 2.674 2.607 2.744 . 0 0 "[ . 1 . 2]" 1
1472 2 141 GLU H 2 142 ILE H . . 5.500 4.553 4.367 4.628 . 0 0 "[ . 1 . 2]" 1
1473 1 82 ALA H 2 69 CYS H . . 3.660 3.146 2.897 3.435 . 0 0 "[ . 1 . 2]" 1
1474 2 82 ALA HA 2 135 VAL H . . 3.200 3.148 2.880 3.322 0.122 2 0 "[ . 1 . 2]" 1
1475 2 6 TYR H 2 6 TYR QD . . 4.200 2.962 1.893 3.906 . 0 0 "[ . 1 . 2]" 1
1476 2 7 GLN H 2 7 GLN QG . . 4.390 4.235 3.887 4.403 0.013 1 0 "[ . 1 . 2]" 1
1477 2 23 VAL H 2 23 VAL HB . . 2.970 2.450 2.415 2.507 . 0 0 "[ . 1 . 2]" 1
1478 2 22 ILE MG 2 23 VAL H . . 4.030 3.627 3.565 3.714 . 0 0 "[ . 1 . 2]" 1
1479 2 24 LYS H 2 24 LYS HG3 . . 4.400 3.408 3.272 3.490 . 0 0 "[ . 1 . 2]" 1
1480 2 24 LYS H 2 26 ALA MB . . 5.300 4.827 4.762 4.908 . 0 0 "[ . 1 . 2]" 1
1481 2 27 ILE H 2 27 ILE HG12 . . 5.500 3.864 3.794 3.912 . 0 0 "[ . 1 . 2]" 1
1482 2 28 GLU HB2 2 29 SER H . . 3.700 2.954 2.863 3.055 . 0 0 "[ . 1 . 2]" 1
1483 2 49 VAL H 2 49 VAL MG1 . . 4.280 3.779 3.741 3.796 . 0 0 "[ . 1 . 2]" 1
1484 2 58 LYS H 2 58 LYS HG2 . . 2.790 2.497 2.297 2.619 . 0 0 "[ . 1 . 2]" 1
1485 2 58 LYS H 2 58 LYS HD2 . . 3.630 3.510 2.864 3.711 0.081 12 0 "[ . 1 . 2]" 1
1486 2 134 GLN H 2 134 GLN HG2 . . 4.670 4.559 4.500 4.613 . 0 0 "[ . 1 . 2]" 1
1487 2 134 GLN H 2 134 GLN HG3 . . 5.030 4.611 4.483 4.887 . 0 0 "[ . 1 . 2]" 1
1488 2 126 LYS H 2 126 LYS QE . . 3.770 3.579 1.694 3.863 0.093 3 0 "[ . 1 . 2]" 1
1489 2 131 LYS H 2 131 LYS QD . . 4.010 3.896 2.145 4.079 0.069 13 0 "[ . 1 . 2]" 1
1490 2 135 VAL H 2 135 VAL HB . . 4.060 3.409 3.279 3.517 . 0 0 "[ . 1 . 2]" 1
1491 2 87 TRP H 2 88 ASP HA . . 5.430 5.415 5.302 5.478 0.048 18 0 "[ . 1 . 2]" 1
1492 2 13 ALA MB 2 14 PHE H . . 3.300 2.827 2.288 3.328 0.028 9 0 "[ . 1 . 2]" 1
1493 2 87 TRP HE1 2 89 SER HB2 . . 4.930 3.864 2.697 4.613 . 0 0 "[ . 1 . 2]" 1
1494 2 97 VAL H 2 97 VAL MG2 . . 4.350 2.633 2.526 2.818 . 0 0 "[ . 1 . 2]" 1
1495 2 97 VAL H 2 108 VAL MG2 . . 4.400 4.249 3.992 4.451 0.051 18 0 "[ . 1 . 2]" 1
1496 2 97 VAL H 2 108 VAL MG1 . . 4.400 2.936 2.642 4.275 . 0 0 "[ . 1 . 2]" 1
1497 2 96 THR HA 2 97 VAL H . . 3.570 2.239 2.164 2.307 . 0 0 "[ . 1 . 2]" 1
1498 2 97 VAL H 2 108 VAL H . . 3.820 3.284 3.108 3.612 . 0 0 "[ . 1 . 2]" 1
1499 2 110 ALA HA 2 111 PHE H . . 3.550 2.166 2.117 2.281 . 0 0 "[ . 1 . 2]" 1
1500 2 98 ARG HA 2 99 TRP H . . 2.930 2.100 2.040 2.164 . 0 0 "[ . 1 . 2]" 1
1501 2 110 ALA MB 2 111 PHE H . . 3.630 2.783 2.513 2.962 . 0 0 "[ . 1 . 2]" 1
1502 2 99 TRP H 2 99 TRP HB2 . . 3.090 2.578 2.419 2.711 . 0 0 "[ . 1 . 2]" 1
1503 2 68 THR H 2 110 ALA HA . . 4.740 3.779 3.500 4.091 . 0 0 "[ . 1 . 2]" 1
1504 2 107 ILE H 2 107 ILE HB . . 4.120 3.784 3.671 3.856 . 0 0 "[ . 1 . 2]" 1
1505 2 67 VAL MG2 2 68 THR H . . 3.850 3.729 3.237 3.901 0.051 16 0 "[ . 1 . 2]" 1
1506 2 106 CYS HA 2 107 ILE H . . 3.560 2.203 2.087 2.381 . 0 0 "[ . 1 . 2]" 1
1507 2 81 THR H 2 81 THR HB . . 4.200 2.619 2.439 3.317 . 0 0 "[ . 1 . 2]" 1
1508 2 97 VAL HB 2 108 VAL H . . 3.870 3.787 3.637 3.890 0.020 3 0 "[ . 1 . 2]" 1
1509 2 108 VAL H 2 108 VAL HB . . 3.300 3.091 2.655 3.268 . 0 0 "[ . 1 . 2]" 1
1510 2 107 ILE MG 2 108 VAL H . . 4.400 3.860 3.745 4.021 . 0 0 "[ . 1 . 2]" 1
1511 2 65 TYR HA 2 66 ILE H . . 3.550 2.295 2.190 2.467 . 0 0 "[ . 1 . 2]" 1
1512 2 136 ASP HA 2 137 PHE H . . 3.180 2.253 2.075 2.416 . 0 0 "[ . 1 . 2]" 1
1513 2 69 CYS HA 2 70 VAL H . . 3.200 2.219 2.120 2.295 . 0 0 "[ . 1 . 2]" 1
1514 2 86 PHE HA 2 87 TRP H . . 3.510 2.314 2.165 2.443 . 0 0 "[ . 1 . 2]" 1
1515 2 86 PHE HA 2 86 PHE QD . . 4.330 3.662 3.013 3.798 . 0 0 "[ . 1 . 2]" 1
1516 2 85 CYS HA 2 86 PHE QD . . 3.770 2.677 2.336 3.488 . 0 0 "[ . 1 . 2]" 1
1517 2 32 GLY H 2 33 GLY H . . 3.900 2.691 2.459 3.320 . 0 0 "[ . 1 . 2]" 1
1518 2 106 CYS H 2 106 CYS HB3 . . 3.880 3.337 2.291 3.760 . 0 0 "[ . 1 . 2]" 1
1519 2 106 CYS H 2 106 CYS HB2 . . 3.880 3.597 2.602 3.874 . 0 0 "[ . 1 . 2]" 1
1520 2 99 TRP HB3 2 106 CYS H . . 4.990 4.720 4.482 5.036 0.046 9 0 "[ . 1 . 2]" 1
1521 2 86 PHE H 2 86 PHE HB3 . . 4.070 3.547 3.388 3.888 . 0 0 "[ . 1 . 2]" 1
1522 2 96 THR H 2 96 THR HB . . 3.730 3.271 2.717 3.556 . 0 0 "[ . 1 . 2]" 1
1523 2 95 CYS HB3 2 96 THR H . . 4.980 4.164 3.535 4.528 . 0 0 "[ . 1 . 2]" 1
1524 2 51 GLN H 2 52 THR HB . . 4.480 4.083 3.861 4.338 . 0 0 "[ . 1 . 2]" 1
1525 2 66 ILE MG 2 67 VAL H . . 3.880 3.481 3.353 3.620 . 0 0 "[ . 1 . 2]" 1
1526 2 14 PHE QD 2 15 VAL H . . 4.950 2.803 2.231 3.734 . 0 0 "[ . 1 . 2]" 1
1527 2 15 VAL H 2 18 GLU H . . 5.480 3.874 3.633 4.366 . 0 0 "[ . 1 . 2]" 1
1528 2 16 VAL H 2 18 GLU H . . 4.130 4.212 4.155 4.297 0.167 14 0 "[ . 1 . 2]" 1
1529 2 14 PHE QD 2 61 LYS H . . 5.070 3.831 2.554 5.189 0.119 10 0 "[ . 1 . 2]" 1
1530 2 111 PHE H 2 111 PHE QD . . 3.710 3.377 2.996 3.796 0.086 8 0 "[ . 1 . 2]" 1
1531 2 110 ALA HA 2 111 PHE QD . . 4.790 3.746 3.205 4.709 . 0 0 "[ . 1 . 2]" 1
1532 2 43 GLN QG 2 44 TRP HD1 . . 4.090 2.973 2.771 3.395 . 0 0 "[ . 1 . 2]" 1
1533 2 6 TYR H 2 6 TYR HB2 . . 3.810 2.634 2.204 3.874 0.064 13 0 "[ . 1 . 2]" 1
1534 2 55 GLN HA 2 58 LYS H . . 4.310 3.493 3.295 3.606 . 0 0 "[ . 1 . 2]" 1
1535 2 105 TYR HA 2 105 TYR QD . . 3.840 3.562 2.785 3.792 . 0 0 "[ . 1 . 2]" 1
1536 2 105 TYR H 2 105 TYR QD . . 4.110 2.989 2.065 3.856 . 0 0 "[ . 1 . 2]" 1
1537 2 86 PHE H 2 86 PHE QD . . 3.880 2.568 2.220 2.896 . 0 0 "[ . 1 . 2]" 1
1538 2 111 PHE HB3 2 112 GLY H . . 5.500 3.280 2.150 3.984 . 0 0 "[ . 1 . 2]" 1
1539 2 111 PHE HB2 2 112 GLY H . . 5.500 4.229 3.199 4.548 . 0 0 "[ . 1 . 2]" 1
1540 2 15 VAL HA 2 16 VAL H . . 3.000 2.271 2.126 2.372 . 0 0 "[ . 1 . 2]" 1
1541 2 95 CYS H 2 95 CYS HB3 . . 4.040 3.180 2.812 3.750 . 0 0 "[ . 1 . 2]" 1
1542 2 95 CYS H 2 95 CYS HB2 . . 4.040 3.549 3.065 4.096 0.056 5 0 "[ . 1 . 2]" 1
1543 2 44 TRP HD1 2 47 ASN H . . 5.230 5.201 5.136 5.263 0.033 4 0 "[ . 1 . 2]" 1
1544 2 21 ASN H 2 21 ASN QB . . 3.160 2.374 2.301 2.455 . 0 0 "[ . 1 . 2]" 1
1545 2 34 ASN H 2 34 ASN HB3 . . 3.620 3.356 2.669 3.629 0.009 10 0 "[ . 1 . 2]" 1
1546 2 47 ASN H 2 47 ASN HB3 . . 3.880 2.498 2.465 2.520 . 0 0 "[ . 1 . 2]" 1
1547 2 87 TRP H 2 87 TRP HD1 . . 3.860 3.812 2.685 4.000 0.140 20 0 "[ . 1 . 2]" 1
1548 2 105 TYR QD 2 106 CYS H . . 4.450 3.985 3.086 4.420 . 0 0 "[ . 1 . 2]" 1
1549 2 17 ASP H 2 18 GLU H . . 3.670 2.795 2.730 2.842 . 0 0 "[ . 1 . 2]" 1
1550 2 36 TYR H 2 36 TYR QD . . 3.280 2.175 1.862 2.790 . 0 0 "[ . 1 . 2]" 1
1551 2 90 SER H 2 91 THR H . . 4.230 2.357 2.144 2.486 . 0 0 "[ . 1 . 2]" 1
1552 2 23 VAL H 2 24 LYS H . . 3.920 2.907 2.854 2.945 . 0 0 "[ . 1 . 2]" 1
1553 2 24 LYS H 2 25 GLU H . . 3.800 2.680 2.618 2.742 . 0 0 "[ . 1 . 2]" 1
1554 2 5 ASP H 2 6 TYR H . . 4.520 2.466 1.914 2.852 . 0 0 "[ . 1 . 2]" 1
1555 2 26 ALA H 2 27 ILE H . . 4.740 2.705 2.650 2.745 . 0 0 "[ . 1 . 2]" 1
1556 2 52 THR H 2 53 LEU H . . 3.180 2.929 2.844 2.997 . 0 0 "[ . 1 . 2]" 1
1557 2 27 ILE H 2 28 GLU H . . 3.250 2.912 2.830 2.976 . 0 0 "[ . 1 . 2]" 1
1558 2 29 SER H 2 30 ALA H . . 3.660 2.782 2.646 2.858 . 0 0 "[ . 1 . 2]" 1
1559 2 20 SER H 2 21 ASN H . . 3.980 2.826 2.754 2.878 . 0 0 "[ . 1 . 2]" 1
1560 2 16 VAL H 2 17 ASP H . . 3.730 2.824 2.758 2.970 . 0 0 "[ . 1 . 2]" 1
1561 2 11 GLU H 2 12 THR H . . 3.810 2.714 2.362 2.910 . 0 0 "[ . 1 . 2]" 1
1562 2 56 LEU H 2 57 THR H . . 3.590 2.753 2.673 2.812 . 0 0 "[ . 1 . 2]" 1
1563 2 51 GLN H 2 52 THR H . . 3.870 2.183 2.014 2.335 . 0 0 "[ . 1 . 2]" 1
1564 2 9 ALA H 2 10 GLU H . . 4.740 3.703 2.829 4.690 . 0 0 "[ . 1 . 2]" 1
1565 2 125 ILE H 2 126 LYS H . . 5.240 4.447 3.904 4.679 . 0 0 "[ . 1 . 2]" 1
1566 2 68 THR H 2 109 SER H . . 4.030 3.041 2.818 3.433 . 0 0 "[ . 1 . 2]" 1
1567 2 48 VAL H 2 49 VAL H . . 3.120 2.835 2.785 2.886 . 0 0 "[ . 1 . 2]" 1
1568 2 34 ASN H 2 35 ALA H . . 5.130 4.632 4.381 4.710 . 0 0 "[ . 1 . 2]" 1
1569 2 142 ILE H 2 143 VAL H . . 5.460 4.467 4.397 4.559 . 0 0 "[ . 1 . 2]" 1
1570 2 4 GLU H 2 5 ASP H . . 4.760 2.737 2.237 2.978 . 0 0 "[ . 1 . 2]" 1
1571 2 73 GLN H 2 74 LYS H . . 4.710 4.363 3.331 4.694 . 0 0 "[ . 1 . 2]" 1
1572 2 87 TRP HZ2 2 89 SER H . . 4.770 4.775 4.460 4.858 0.088 10 0 "[ . 1 . 2]" 1
1573 2 70 VAL H 2 107 ILE H . . 3.670 3.302 2.961 3.705 0.035 4 0 "[ . 1 . 2]" 1
1574 2 82 ALA H 2 83 SER H . . 4.320 4.293 4.152 4.358 0.038 17 0 "[ . 1 . 2]" 1
1575 2 99 TRP H 2 106 CYS H . . 4.360 3.856 3.496 4.303 . 0 0 "[ . 1 . 2]" 1
1576 2 64 LYS H 2 65 TYR H . . 4.560 4.018 3.191 4.570 0.010 18 0 "[ . 1 . 2]" 1
1577 2 99 TRP H 2 107 ILE H . . 5.260 4.935 4.500 5.156 . 0 0 "[ . 1 . 2]" 1
1578 2 68 THR H 2 111 PHE H . . 5.500 5.394 5.087 5.518 0.018 14 0 "[ . 1 . 2]" 1
1579 2 83 SER H 2 134 GLN H . . 5.500 4.554 4.442 4.807 . 0 0 "[ . 1 . 2]" 1
1580 2 14 PHE HA 2 15 VAL H . . 3.310 2.432 2.205 2.603 . 0 0 "[ . 1 . 2]" 1
1581 2 63 PHE HB2 2 64 LYS H . . 4.030 3.704 2.192 4.216 0.186 5 0 "[ . 1 . 2]" 1
1582 2 14 PHE H 2 14 PHE QD . . 4.490 2.867 2.000 4.425 . 0 0 "[ . 1 . 2]" 1
1583 2 14 PHE QD 2 60 GLY QA . . 4.110 2.559 2.092 3.166 . 0 0 "[ . 1 . 2]" 1
1584 2 16 VAL HA 2 18 GLU H . . 4.030 3.948 3.574 4.065 0.035 4 0 "[ . 1 . 2]" 1
1585 2 18 GLU H 2 18 GLU HB2 . . 3.560 2.814 2.679 3.080 . 0 0 "[ . 1 . 2]" 1
1586 2 43 GLN H 2 43 GLN QB . . 3.300 2.717 2.676 2.785 . 0 0 "[ . 1 . 2]" 1
1587 2 35 ALA H 2 36 TYR H . . 5.500 4.401 4.055 4.657 . 0 0 "[ . 1 . 2]" 1
1588 2 94 SER H 2 95 CYS H . . 5.500 4.358 4.073 4.493 . 0 0 "[ . 1 . 2]" 1
1589 2 131 LYS H 2 132 ILE H . . 5.500 4.439 4.381 4.518 . 0 0 "[ . 1 . 2]" 1
1590 2 15 VAL H 2 16 VAL H . . 5.170 4.434 4.334 4.587 . 0 0 "[ . 1 . 2]" 1
1591 2 126 LYS H 2 127 LEU H . . 5.000 4.461 4.190 4.652 . 0 0 "[ . 1 . 2]" 1
1592 2 42 ASN H 2 44 TRP H . . 3.770 3.822 3.786 3.857 0.087 15 0 "[ . 1 . 2]" 1
1593 2 59 LEU H 2 60 GLY H . . 3.720 2.612 2.313 3.034 . 0 0 "[ . 1 . 2]" 1
1594 2 44 TRP H 2 46 THR H . . 3.740 3.863 3.830 3.886 0.146 9 0 "[ . 1 . 2]" 1
1595 2 44 TRP H 2 44 TRP HD1 . . 3.900 3.675 3.569 3.755 . 0 0 "[ . 1 . 2]" 1
1596 2 35 ALA H 2 36 TYR QD . . 5.500 5.571 5.442 5.640 0.140 20 0 "[ . 1 . 2]" 1
1597 2 41 VAL H 2 44 TRP HZ3 . . 4.200 4.229 4.085 4.266 0.066 12 0 "[ . 1 . 2]" 1
1598 2 41 VAL H 2 44 TRP HE3 . . 4.020 3.899 3.702 4.037 0.017 8 0 "[ . 1 . 2]" 1
1599 2 22 ILE H 2 24 LYS H . . 4.410 4.446 4.370 4.481 0.071 11 0 "[ . 1 . 2]" 1
1600 2 89 SER H 2 91 THR H . . 3.600 3.174 2.819 3.668 0.068 9 0 "[ . 1 . 2]" 1
1601 2 137 PHE H 2 137 PHE QD . . 3.860 3.500 2.064 4.010 0.150 1 0 "[ . 1 . 2]" 1
1602 2 77 ALA H 2 77 ALA HA . . 2.930 2.917 2.815 2.974 0.044 15 0 "[ . 1 . 2]" 1
1603 2 126 LYS HA 2 127 LEU H . . 3.400 2.289 2.043 2.471 . 0 0 "[ . 1 . 2]" 1
1604 2 17 ASP HA 2 20 SER H . . 4.120 3.934 3.739 4.158 0.038 12 0 "[ . 1 . 2]" 1
1605 2 101 ASN HA 2 102 LYS H . . 3.500 2.639 2.573 2.843 . 0 0 "[ . 1 . 2]" 1
1606 2 97 VAL HA 2 98 ARG H . . 3.230 2.131 2.022 2.289 . 0 0 "[ . 1 . 2]" 1
1607 2 9 ALA HA 2 10 GLU H . . 3.280 2.711 2.103 3.354 0.074 9 0 "[ . 1 . 2]" 1
1608 2 8 ALA HA 2 9 ALA H . . 3.300 2.552 2.164 3.352 0.052 9 0 "[ . 1 . 2]" 1
1609 2 21 ASN HA 2 24 LYS H . . 3.550 3.164 3.056 3.355 . 0 0 "[ . 1 . 2]" 1
1610 2 124 PRO HA 2 125 ILE H . . 3.330 2.314 2.134 2.570 . 0 0 "[ . 1 . 2]" 1
1611 2 7 GLN HA 2 8 ALA H . . 3.200 2.454 2.104 3.210 0.010 13 0 "[ . 1 . 2]" 1
1612 2 4 GLU HA 2 6 TYR H . . 4.280 3.969 3.538 4.538 0.258 16 0 "[ . 1 . 2]" 1
1613 2 91 THR HB 2 92 ASP H . . 3.630 2.732 2.330 3.376 . 0 0 "[ . 1 . 2]" 1
1614 2 142 ILE HA 2 143 VAL H . . 2.850 2.383 2.148 2.555 . 0 0 "[ . 1 . 2]" 1
1615 2 18 GLU HA 2 21 ASN H . . 4.610 3.655 3.377 3.864 . 0 0 "[ . 1 . 2]" 1
1616 2 14 PHE QD 2 15 VAL HA . . 5.310 4.408 3.440 5.383 0.073 18 0 "[ . 1 . 2]" 1
1617 2 15 VAL HA 2 18 GLU H . . 5.500 4.707 4.558 4.845 . 0 0 "[ . 1 . 2]" 1
1618 2 43 GLN HA 2 44 TRP HD1 . . 5.500 5.544 5.443 5.569 0.069 11 0 "[ . 1 . 2]" 1
1619 2 52 THR H 2 52 THR HB . . 3.790 2.373 2.304 2.420 . 0 0 "[ . 1 . 2]" 1
1620 2 115 ILE H 2 116 GLY QA . . 5.040 4.381 4.065 4.784 . 0 0 "[ . 1 . 2]" 1
1621 2 49 VAL H 2 52 THR HB . . 5.020 3.966 3.929 4.032 . 0 0 "[ . 1 . 2]" 1
1622 2 55 GLN HA 2 59 LEU H . . 5.500 4.635 4.522 4.737 . 0 0 "[ . 1 . 2]" 1
1623 2 57 THR HA 2 59 LEU H . . 5.500 4.374 4.241 4.618 . 0 0 "[ . 1 . 2]" 1
1624 2 59 LEU H 2 60 GLY QA . . 5.500 4.584 4.324 4.958 . 0 0 "[ . 1 . 2]" 1
1625 2 20 SER QB 2 21 ASN H . . 3.940 3.174 2.996 3.353 . 0 0 "[ . 1 . 2]" 1
1626 2 93 GLY QA 2 94 SER H . . 2.400 2.165 2.094 2.257 . 0 0 "[ . 1 . 2]" 1
1627 2 135 VAL HA 2 136 ASP H . . 2.400 2.113 2.048 2.162 . 0 0 "[ . 1 . 2]" 1
1628 2 57 THR H 2 57 THR HA . . 2.850 2.877 2.852 2.905 0.055 5 0 "[ . 1 . 2]" 1
1629 2 60 GLY QA 2 61 LYS H . . 2.400 2.165 2.039 2.447 0.047 5 0 "[ . 1 . 2]" 1
1630 2 52 THR HB 2 53 LEU H . . 2.400 2.511 2.490 2.531 0.131 1 0 "[ . 1 . 2]" 1
1631 2 118 GLY H 2 118 GLY QA . . 2.400 2.273 2.178 2.500 0.100 7 0 "[ . 1 . 2]" 1
1632 2 116 GLY H 2 116 GLY QA . . 2.570 2.258 2.200 2.436 . 0 0 "[ . 1 . 2]" 1
1633 2 117 GLY H 2 117 GLY QA . . 2.400 2.253 2.203 2.421 0.021 10 0 "[ . 1 . 2]" 1
1634 2 20 SER QB 2 23 VAL H . . 5.500 5.543 5.462 5.601 0.101 12 0 "[ . 1 . 2]" 1
1635 2 57 THR H 2 57 THR HB . . 4.030 2.414 2.229 2.489 . 0 0 "[ . 1 . 2]" 1
1636 2 20 SER H 2 20 SER QB . . 3.250 2.204 2.164 2.425 . 0 0 "[ . 1 . 2]" 1
1637 2 114 SER HA 2 116 GLY H . . 4.810 3.658 3.284 4.745 . 0 0 "[ . 1 . 2]" 1
1638 2 24 LYS HA 2 26 ALA H . . 5.500 4.405 4.241 4.471 . 0 0 "[ . 1 . 2]" 1
1639 2 53 LEU HA 2 55 GLN H . . 5.500 4.444 4.179 4.643 . 0 0 "[ . 1 . 2]" 1
1640 2 124 PRO QD 2 125 ILE H . . 5.280 4.937 4.858 4.992 . 0 0 "[ . 1 . 2]" 1
1641 2 22 ILE HA 2 26 ALA H . . 4.730 3.908 3.794 4.044 . 0 0 "[ . 1 . 2]" 1
1642 2 28 GLU HA 2 31 ILE H . . 3.960 3.172 3.104 3.289 . 0 0 "[ . 1 . 2]" 1
1643 2 23 VAL HA 2 26 ALA H . . 3.850 3.681 3.565 3.781 . 0 0 "[ . 1 . 2]" 1
1644 2 49 VAL HA 2 53 LEU H . . 5.230 2.563 2.418 2.694 . 0 0 "[ . 1 . 2]" 1
1645 2 48 VAL HA 2 52 THR H . . 4.280 3.744 3.642 3.852 . 0 0 "[ . 1 . 2]" 1
1646 2 49 VAL HA 2 52 THR H . . 4.690 3.642 3.528 3.747 . 0 0 "[ . 1 . 2]" 1
1647 2 16 VAL HA 2 20 SER H . . 4.170 3.704 3.450 3.883 . 0 0 "[ . 1 . 2]" 1
1648 2 41 VAL HA 2 45 THR H . . 5.500 3.613 3.462 3.743 . 0 0 "[ . 1 . 2]" 1
1649 2 22 ILE HA 2 25 GLU H . . 3.990 3.725 3.635 3.874 . 0 0 "[ . 1 . 2]" 1
1650 2 24 LYS HA 2 99 TRP HZ2 . . 4.630 3.095 2.817 3.418 . 0 0 "[ . 1 . 2]" 1
1651 2 22 ILE H 2 23 VAL HA . . 5.480 5.498 5.447 5.514 0.034 18 0 "[ . 1 . 2]" 1
1652 2 44 TRP HB3 2 46 THR H . . 5.440 5.353 5.258 5.443 0.003 7 0 "[ . 1 . 2]" 1
1653 2 44 TRP HB3 2 44 TRP HD1 . . 3.600 3.384 3.343 3.438 . 0 0 "[ . 1 . 2]" 1
1654 2 31 ILE HA 2 44 TRP HZ2 . . 4.000 2.984 2.603 3.250 . 0 0 "[ . 1 . 2]" 1
1655 2 19 VAL HA 2 21 ASN H . . 5.090 3.805 3.618 4.052 . 0 0 "[ . 1 . 2]" 1
1656 2 31 ILE HA 2 34 ASN H . . 5.500 4.702 4.241 5.253 . 0 0 "[ . 1 . 2]" 1
1657 2 140 ARG H 2 140 ARG QD . . 5.130 4.221 2.610 4.880 . 0 0 "[ . 1 . 2]" 1
1658 2 140 ARG QD 2 141 GLU H . . 5.430 4.070 2.304 5.058 . 0 0 "[ . 1 . 2]" 1
1659 2 23 VAL HA 2 27 ILE H . . 5.500 3.848 3.767 3.950 . 0 0 "[ . 1 . 2]" 1
1660 2 40 LYS QE 2 44 TRP HE1 . . 4.560 3.343 2.339 4.347 . 0 0 "[ . 1 . 2]" 1
1661 2 65 TYR H 2 65 TYR HB3 . . 3.960 3.234 2.643 3.916 . 0 0 "[ . 1 . 2]" 1
1662 2 17 ASP H 2 17 ASP HB2 . . 3.720 2.334 2.083 2.463 . 0 0 "[ . 1 . 2]" 1
1663 2 95 CYS HB2 2 96 THR H . . 4.980 4.053 2.614 4.581 . 0 0 "[ . 1 . 2]" 1
1664 2 104 MET H 2 104 MET HG2 . . 4.360 2.891 1.944 4.374 0.014 14 0 "[ . 1 . 2]" 1
1665 2 129 MET QG 2 130 ALA H . . 4.540 3.094 1.868 4.367 . 0 0 "[ . 1 . 2]" 1
1666 2 24 LYS H 2 24 LYS QE . . 3.670 3.430 3.208 3.556 . 0 0 "[ . 1 . 2]" 1
1667 2 55 GLN H 2 55 GLN HG3 . . 4.620 4.495 4.463 4.516 . 0 0 "[ . 1 . 2]" 1
1668 2 42 ASN H 2 42 ASN HB3 . . 3.760 2.830 2.349 3.636 . 0 0 "[ . 1 . 2]" 1
1669 2 99 TRP HB3 2 99 TRP HE3 . . 3.690 2.485 2.444 2.552 . 0 0 "[ . 1 . 2]" 1
1670 2 27 ILE HA 2 30 ALA H . . 4.810 3.504 3.425 3.623 . 0 0 "[ . 1 . 2]" 1
1671 2 44 TRP HB2 2 44 TRP HE3 . . 3.570 2.693 2.646 2.762 . 0 0 "[ . 1 . 2]" 1
1672 2 55 GLN HG3 2 59 LEU H . . 4.720 4.666 4.531 4.774 0.054 11 0 "[ . 1 . 2]" 1
1673 2 41 VAL H 2 44 TRP HB2 . . 4.910 4.807 4.683 4.936 0.026 13 0 "[ . 1 . 2]" 1
1674 2 43 GLN QB 2 44 TRP HE1 . . 5.500 5.531 5.363 5.573 0.073 13 0 "[ . 1 . 2]" 1
1675 2 51 GLN H 2 51 GLN HG3 . . 3.810 3.004 2.576 3.910 0.100 13 0 "[ . 1 . 2]" 1
1676 2 43 GLN QG 2 45 THR H . . 5.500 5.074 4.972 5.229 . 0 0 "[ . 1 . 2]" 1
1677 2 73 GLN QG 2 105 TYR H . . 5.500 4.771 2.947 5.580 0.080 16 0 "[ . 1 . 2]" 1
1678 2 129 MET QB 2 130 ALA H . . 5.410 3.079 2.126 3.905 . 0 0 "[ . 1 . 2]" 1
1679 2 134 GLN HG2 2 136 ASP H . . 5.500 4.024 3.396 5.060 . 0 0 "[ . 1 . 2]" 1
1680 2 70 VAL H 2 70 VAL HB . . 3.700 2.952 2.670 3.438 . 0 0 "[ . 1 . 2]" 1
1681 2 16 VAL H 2 16 VAL HB . . 2.800 2.542 2.341 2.806 0.006 9 0 "[ . 1 . 2]" 1
1682 2 131 LYS QB 2 132 ILE H . . 3.790 2.260 2.006 2.727 . 0 0 "[ . 1 . 2]" 1
1683 2 131 LYS H 2 131 LYS QB . . 2.880 2.725 2.674 2.970 0.090 20 0 "[ . 1 . 2]" 1
1684 2 15 VAL HB 2 17 ASP H . . 5.340 4.784 4.112 4.956 . 0 0 "[ . 1 . 2]" 1
1685 2 130 ALA H 2 131 LYS QD . . 4.490 4.172 3.705 4.559 0.069 19 0 "[ . 1 . 2]" 1
1686 2 19 VAL HB 2 20 SER H . . 4.140 2.690 2.407 4.023 . 0 0 "[ . 1 . 2]" 1
1687 2 55 GLN HG2 2 56 LEU H . . 4.430 2.999 2.854 3.159 . 0 0 "[ . 1 . 2]" 1
1688 2 25 GLU HG3 2 26 ALA H . . 2.750 2.284 2.231 2.353 . 0 0 "[ . 1 . 2]" 1
1689 2 7 GLN QG 2 8 ALA H . . 5.030 2.228 1.790 4.355 . 0 0 "[ . 1 . 2]" 1
1690 2 4 GLU QG 2 6 TYR H . . 5.360 4.625 3.099 5.215 . 0 0 "[ . 1 . 2]" 1
1691 2 4 GLU QG 2 5 ASP H . . 4.540 2.649 1.701 3.177 . 0 0 "[ . 1 . 2]" 1
1692 2 11 GLU HB2 2 12 THR H . . 4.270 3.990 2.609 4.151 . 0 0 "[ . 1 . 2]" 1
1693 2 25 GLU H 2 25 GLU HB3 . . 2.750 2.490 2.453 2.525 . 0 0 "[ . 1 . 2]" 1
1694 2 25 GLU HB2 2 26 ALA H . . 4.360 4.129 4.091 4.186 . 0 0 "[ . 1 . 2]" 1
1695 2 27 ILE H 2 27 ILE HG13 . . 3.700 2.490 2.429 2.553 . 0 0 "[ . 1 . 2]" 1
1696 2 97 VAL H 2 108 VAL HB . . 5.120 5.033 3.008 5.314 0.194 10 0 "[ . 1 . 2]" 1
1697 2 48 VAL H 2 48 VAL HB . . 3.110 2.472 2.412 2.503 . 0 0 "[ . 1 . 2]" 1
1698 2 55 GLN HB3 2 56 LEU H . . 5.500 2.799 2.718 2.882 . 0 0 "[ . 1 . 2]" 1
1699 2 53 LEU H 2 53 LEU HB3 . . 3.430 2.793 2.635 2.958 . 0 0 "[ . 1 . 2]" 1
1700 2 51 GLN HB2 2 52 THR H . . 2.610 2.642 2.598 2.679 0.069 16 0 "[ . 1 . 2]" 1
1701 2 102 LYS QD 2 103 THR H . . 4.440 4.294 3.619 4.535 0.095 18 0 "[ . 1 . 2]" 1
1702 2 24 LYS QD 2 25 GLU H . . 4.960 4.068 3.974 4.268 . 0 0 "[ . 1 . 2]" 1
1703 2 58 LYS HB3 2 60 GLY H . . 5.500 5.431 5.049 5.604 0.104 10 0 "[ . 1 . 2]" 1
1704 2 59 LEU HG 2 60 GLY H . . 5.500 4.817 3.118 5.219 . 0 0 "[ . 1 . 2]" 1
1705 2 55 GLN HG2 2 58 LYS H . . 5.440 5.340 5.243 5.451 0.011 18 0 "[ . 1 . 2]" 1
1706 2 22 ILE H 2 25 GLU HG3 . . 5.500 5.026 4.892 5.143 . 0 0 "[ . 1 . 2]" 1
1707 2 22 ILE H 2 23 VAL HB . . 5.500 5.271 5.199 5.355 . 0 0 "[ . 1 . 2]" 1
1708 2 43 GLN QB 2 44 TRP HD1 . . 4.800 4.423 4.253 4.535 . 0 0 "[ . 1 . 2]" 1
1709 2 59 LEU H 2 59 LEU HG . . 3.560 3.011 2.495 3.674 0.114 20 0 "[ . 1 . 2]" 1
1710 2 22 ILE H 2 22 ILE HB . . 3.050 2.767 2.693 2.818 . 0 0 "[ . 1 . 2]" 1
1711 2 40 LYS QB 2 44 TRP HE3 . . 3.880 3.668 3.518 3.912 0.032 18 0 "[ . 1 . 2]" 1
1712 2 27 ILE HG13 2 99 TRP HZ2 . . 4.930 4.852 4.627 4.985 0.055 13 0 "[ . 1 . 2]" 1
1713 2 58 LYS HG2 2 59 LEU H . . 4.340 4.194 4.026 4.371 0.031 5 0 "[ . 1 . 2]" 1
1714 2 41 VAL H 2 43 GLN QG . . 5.200 4.766 4.532 5.050 . 0 0 "[ . 1 . 2]" 1
1715 2 40 LYS QB 2 41 VAL H . . 5.110 2.713 2.507 3.117 . 0 0 "[ . 1 . 2]" 1
1716 2 26 ALA H 2 27 ILE HG13 . . 4.950 4.853 4.769 4.947 . 0 0 "[ . 1 . 2]" 1
1717 2 57 THR H 2 58 LYS HG2 . . 4.930 4.386 4.121 4.573 . 0 0 "[ . 1 . 2]" 1
1718 2 57 THR H 2 58 LYS HD3 . . 5.440 4.517 4.144 5.398 . 0 0 "[ . 1 . 2]" 1
1719 2 11 GLU H 2 11 GLU QG . . 3.210 2.166 2.038 2.310 . 0 0 "[ . 1 . 2]" 1
1720 2 121 GLN H 2 121 GLN HG2 . . 3.860 3.010 2.104 3.796 . 0 0 "[ . 1 . 2]" 1
1721 2 81 THR H 2 81 THR MG . . 4.120 3.869 3.771 3.947 . 0 0 "[ . 1 . 2]" 1
1722 2 112 GLY H 2 113 LEU MD2 . . 5.500 3.591 2.660 4.195 . 0 0 "[ . 1 . 2]" 1
1723 2 16 VAL MG1 2 17 ASP H . . 4.370 3.129 2.195 3.786 . 0 0 "[ . 1 . 2]" 1
1724 2 71 ILE MD 2 72 MET H . . 4.190 4.243 4.191 4.333 0.143 11 0 "[ . 1 . 2]" 1
1725 2 49 VAL MG2 2 50 GLU H . . 4.650 4.067 4.018 4.096 . 0 0 "[ . 1 . 2]" 1
1726 2 132 ILE MG 2 134 GLN H . . 4.140 3.457 3.284 3.757 . 0 0 "[ . 1 . 2]" 1
1727 2 66 ILE H 2 67 VAL MG1 . . 5.500 3.985 3.789 4.235 . 0 0 "[ . 1 . 2]" 1
1728 2 127 LEU MD2 2 128 GLY H . . 5.500 3.594 2.370 4.170 . 0 0 "[ . 1 . 2]" 1
1729 2 35 ALA MB 2 36 TYR H . . 3.820 2.287 1.880 3.506 . 0 0 "[ . 1 . 2]" 1
1730 2 127 LEU HB3 2 128 GLY H . . 4.170 3.097 2.198 4.034 . 0 0 "[ . 1 . 2]" 1
1731 2 16 VAL MG2 2 17 ASP H . . 4.370 3.798 3.331 4.016 . 0 0 "[ . 1 . 2]" 1
1732 2 67 VAL H 2 67 VAL MG2 . . 2.400 2.398 2.319 2.451 0.051 4 0 "[ . 1 . 2]" 1
1733 2 115 ILE MD 2 116 GLY H . . 3.730 2.955 2.059 3.849 0.119 18 0 "[ . 1 . 2]" 1
1734 2 48 VAL H 2 48 VAL MG2 . . 2.400 2.209 2.117 2.254 . 0 0 "[ . 1 . 2]" 1
1735 2 53 LEU H 2 53 LEU QD . . 3.710 3.577 3.459 3.646 . 0 0 "[ . 1 . 2]" 1
1736 2 77 ALA MB 2 78 GLY H . . 4.230 3.208 2.040 3.764 . 0 0 "[ . 1 . 2]" 1
1737 2 35 ALA H 2 35 ALA MB . . 3.230 2.200 2.140 2.293 . 0 0 "[ . 1 . 2]" 1
1738 2 66 ILE HB 2 67 VAL H . . 4.270 4.025 3.908 4.120 . 0 0 "[ . 1 . 2]" 1
1739 2 102 LYS H 2 103 THR MG . . 5.500 4.804 4.460 5.184 . 0 0 "[ . 1 . 2]" 1
1740 2 103 THR MG 2 104 MET H . . 4.790 3.107 2.121 3.796 . 0 0 "[ . 1 . 2]" 1
1741 2 45 THR H 2 45 THR MG . . 3.810 2.311 2.246 2.359 . 0 0 "[ . 1 . 2]" 1
1742 1 84 SER H 2 68 THR MG . . 5.500 4.116 3.186 5.570 0.070 17 0 "[ . 1 . 2]" 1
1743 2 53 LEU HB2 2 54 SER H . . 4.100 3.702 3.612 3.820 . 0 0 "[ . 1 . 2]" 1
1744 2 11 GLU H 2 12 THR MG . . 4.570 4.205 3.553 4.567 . 0 0 "[ . 1 . 2]" 1
1745 2 46 THR MG 2 48 VAL H . . 4.950 4.459 4.417 4.515 . 0 0 "[ . 1 . 2]" 1
1746 2 130 ALA MB 2 131 LYS H . . 3.810 3.121 2.056 3.674 . 0 0 "[ . 1 . 2]" 1
1747 2 77 ALA H 2 77 ALA MB . . 3.650 2.317 2.149 2.652 . 0 0 "[ . 1 . 2]" 1
1748 2 58 LYS HD2 2 59 LEU H . . 5.070 5.078 4.849 5.182 0.112 20 0 "[ . 1 . 2]" 1
1749 2 13 ALA H 2 13 ALA MB . . 3.000 2.231 2.157 2.433 . 0 0 "[ . 1 . 2]" 1
1750 2 24 LYS HG2 2 99 TRP HZ2 . . 5.040 4.050 3.726 4.334 . 0 0 "[ . 1 . 2]" 1
1751 2 43 GLN H 2 45 THR MG . . 4.500 4.535 4.517 4.585 0.085 12 0 "[ . 1 . 2]" 1
1752 2 31 ILE HB 2 32 GLY H . . 4.020 2.818 2.601 3.056 . 0 0 "[ . 1 . 2]" 1
1753 2 56 LEU HB3 2 57 THR H . . 4.350 4.169 4.032 4.299 . 0 0 "[ . 1 . 2]" 1
1754 2 12 THR MG 2 13 ALA H . . 2.740 2.666 2.444 2.763 0.023 8 0 "[ . 1 . 2]" 1
1755 2 43 GLN H 2 46 THR MG . . 5.500 4.316 4.279 4.369 . 0 0 "[ . 1 . 2]" 1
1756 2 44 TRP H 2 46 THR MG . . 5.500 4.177 4.134 4.264 . 0 0 "[ . 1 . 2]" 1
1757 2 12 THR H 2 12 THR MG . . 3.740 2.296 1.924 2.583 . 0 0 "[ . 1 . 2]" 1
1758 2 91 THR MG 2 92 ASP H . . 4.330 3.996 3.746 4.318 . 0 0 "[ . 1 . 2]" 1
1759 2 143 VAL H 2 143 VAL QG . . 3.100 2.452 1.903 2.935 . 0 0 "[ . 1 . 2]" 1
1760 2 59 LEU MD1 2 60 GLY H . . 5.500 4.967 4.323 5.428 . 0 0 "[ . 1 . 2]" 1
1761 2 59 LEU MD2 2 60 GLY H . . 5.500 4.823 4.248 4.996 . 0 0 "[ . 1 . 2]" 1
1762 2 142 ILE MD 2 143 VAL H . . 5.500 4.790 4.589 5.336 . 0 0 "[ . 1 . 2]" 1
1763 2 8 ALA H 2 8 ALA MB . . 3.140 2.317 2.028 2.528 . 0 0 "[ . 1 . 2]" 1
1764 2 26 ALA MB 2 27 ILE H . . 3.460 2.608 2.530 2.705 . 0 0 "[ . 1 . 2]" 1
1765 2 9 ALA H 2 9 ALA MB . . 3.000 2.199 2.155 2.243 . 0 0 "[ . 1 . 2]" 1
1766 2 105 TYR QD 2 107 ILE HG13 . . 5.500 4.965 3.932 5.559 0.059 1 0 "[ . 1 . 2]" 1
1767 2 105 TYR QD 2 107 ILE MD . . 5.500 5.028 4.401 5.545 0.045 12 0 "[ . 1 . 2]" 1
1768 2 41 VAL H 2 41 VAL MG1 . . 3.980 3.491 2.320 3.859 . 0 0 "[ . 1 . 2]" 1
1769 2 105 TYR QD 2 107 ILE MG . . 4.020 2.856 2.312 3.757 . 0 0 "[ . 1 . 2]" 1
1770 2 15 VAL MG1 2 18 GLU H . . 4.520 2.219 1.827 2.747 . 0 0 "[ . 1 . 2]" 1
1771 2 15 VAL MG2 2 18 GLU H . . 4.520 3.669 3.041 4.456 . 0 0 "[ . 1 . 2]" 1
1772 2 81 THR HA 2 82 ALA MB . . 3.860 3.901 3.870 3.955 0.095 8 0 "[ . 1 . 2]" 1
1773 2 71 ILE MD 2 107 ILE H . . 5.300 3.133 2.509 4.015 . 0 0 "[ . 1 . 2]" 1
1774 2 49 VAL MG1 2 50 GLU H . . 4.650 3.746 3.689 3.804 . 0 0 "[ . 1 . 2]" 1
1775 2 131 LYS HG2 2 132 ILE H . . 5.500 4.779 2.892 5.017 . 0 0 "[ . 1 . 2]" 1
1776 2 131 LYS HG3 2 132 ILE H . . 5.380 4.699 4.019 5.079 . 0 0 "[ . 1 . 2]" 1
1777 2 142 ILE H 2 142 ILE MD . . 2.400 2.063 1.801 2.465 0.065 4 0 "[ . 1 . 2]" 1
1778 2 59 LEU H 2 59 LEU HB2 . . 3.580 2.300 2.091 3.062 . 0 0 "[ . 1 . 2]" 1
1779 2 70 VAL H 2 70 VAL MG2 . . 4.200 3.183 2.706 4.032 . 0 0 "[ . 1 . 2]" 1
1780 2 142 ILE H 2 143 VAL QG . . 5.500 4.877 3.984 5.537 0.037 2 0 "[ . 1 . 2]" 1
1781 2 30 ALA H 2 48 VAL MG2 . . 4.760 3.840 3.720 4.023 . 0 0 "[ . 1 . 2]" 1
1782 2 30 ALA MB 2 44 TRP HD1 . . 5.130 3.621 3.022 4.246 . 0 0 "[ . 1 . 2]" 1
1783 2 111 PHE QD 2 113 LEU MD2 . . 4.930 3.857 2.670 4.667 . 0 0 "[ . 1 . 2]" 1
1784 2 20 SER H 2 22 ILE MD . . 5.500 5.309 5.060 5.529 0.029 11 0 "[ . 1 . 2]" 1
1785 2 127 LEU MD1 2 128 GLY H . . 5.500 4.474 2.006 5.361 . 0 0 "[ . 1 . 2]" 1
1786 2 127 LEU HB2 2 128 GLY H . . 4.170 4.028 3.639 4.307 0.137 4 0 "[ . 1 . 2]" 1
1787 2 19 VAL MG1 2 20 SER H . . 4.130 3.419 3.160 3.965 . 0 0 "[ . 1 . 2]" 1
1788 2 27 ILE MD 2 99 TRP HZ2 . . 3.590 2.511 2.346 2.671 . 0 0 "[ . 1 . 2]" 1
1789 2 31 ILE MD 2 44 TRP HH2 . . 4.160 3.865 3.587 4.093 . 0 0 "[ . 1 . 2]" 1
1790 2 31 ILE HG13 2 32 GLY H . . 5.250 4.495 4.324 4.701 . 0 0 "[ . 1 . 2]" 1
1791 2 31 ILE MD 2 32 GLY H . . 5.500 4.814 4.521 5.077 . 0 0 "[ . 1 . 2]" 1
1792 2 31 ILE MD 2 99 TRP HZ2 . . 4.890 4.615 4.384 4.770 . 0 0 "[ . 1 . 2]" 1
1793 2 31 ILE MD 2 99 TRP HH2 . . 5.000 2.784 2.593 2.920 . 0 0 "[ . 1 . 2]" 1
1794 2 31 ILE MG 2 44 TRP HZ2 . . 3.700 3.078 2.779 3.362 . 0 0 "[ . 1 . 2]" 1
1795 2 31 ILE MG 2 44 TRP HH2 . . 4.910 2.581 2.438 2.825 . 0 0 "[ . 1 . 2]" 1
1796 2 31 ILE HG12 2 99 TRP HH2 . . 5.500 5.516 5.262 5.578 0.078 17 0 "[ . 1 . 2]" 1
1797 2 27 ILE H 2 48 VAL MG1 . . 4.640 2.884 2.817 3.095 . 0 0 "[ . 1 . 2]" 1
1798 2 48 VAL MG1 2 52 THR H . . 3.740 3.678 3.479 3.759 0.019 16 0 "[ . 1 . 2]" 1
1799 2 31 ILE HG12 2 44 TRP HH2 . . 5.500 3.411 3.262 3.574 . 0 0 "[ . 1 . 2]" 1
1800 2 22 ILE MD 2 59 LEU H . . 5.380 5.182 4.636 5.458 0.078 12 0 "[ . 1 . 2]" 1
1801 2 22 ILE H 2 22 ILE MD . . 3.890 3.652 3.603 3.767 . 0 0 "[ . 1 . 2]" 1
1802 2 31 ILE HG12 2 44 TRP HZ2 . . 4.180 3.559 3.391 3.770 . 0 0 "[ . 1 . 2]" 1
1803 2 31 ILE HG12 2 44 TRP HE3 . . 4.000 3.300 3.150 3.489 . 0 0 "[ . 1 . 2]" 1
1804 2 31 ILE MD 2 99 TRP HZ3 . . 4.350 2.965 2.695 3.175 . 0 0 "[ . 1 . 2]" 1
1805 2 31 ILE HG13 2 44 TRP HD1 . . 5.360 5.287 5.087 5.431 0.071 17 0 "[ . 1 . 2]" 1
1806 2 31 ILE MD 2 44 TRP HZ3 . . 4.070 3.045 2.814 3.285 . 0 0 "[ . 1 . 2]" 1
1807 2 31 ILE MG 2 44 TRP HE3 . . 5.430 4.732 4.592 4.909 . 0 0 "[ . 1 . 2]" 1
1808 2 31 ILE HG13 2 44 TRP HE3 . . 5.500 4.174 3.990 4.274 . 0 0 "[ . 1 . 2]" 1
1809 2 41 VAL H 2 41 VAL MG2 . . 3.980 2.444 1.909 3.760 . 0 0 "[ . 1 . 2]" 1
1810 2 31 ILE H 2 31 ILE HG13 . . 3.570 2.306 2.169 2.517 . 0 0 "[ . 1 . 2]" 1
1811 1 111 PHE QD 2 66 ILE MD . . 3.800 3.639 3.078 3.856 0.056 7 0 "[ . 1 . 2]" 1
1812 2 56 LEU HB2 2 57 THR H . . 4.350 4.017 3.928 4.320 . 0 0 "[ . 1 . 2]" 1
1813 2 27 ILE MG 2 31 ILE H . . 5.020 3.829 3.754 3.904 . 0 0 "[ . 1 . 2]" 1
1814 2 27 ILE MG 2 30 ALA H . . 5.500 4.618 4.462 4.724 . 0 0 "[ . 1 . 2]" 1
1815 2 27 ILE MG 2 99 TRP HZ2 . . 4.280 3.077 2.919 3.263 . 0 0 "[ . 1 . 2]" 1
1816 2 27 ILE MG 2 44 TRP HD1 . . 5.460 5.197 5.088 5.314 . 0 0 "[ . 1 . 2]" 1
1817 2 27 ILE MG 2 99 TRP HE1 . . 5.210 4.647 4.417 4.911 . 0 0 "[ . 1 . 2]" 1
1818 2 81 THR H 2 134 GLN HG2 . . 4.230 4.159 3.819 4.266 0.036 3 0 "[ . 1 . 2]" 1
1819 2 98 ARG QB 2 108 VAL H . . 5.500 4.549 4.268 5.189 . 0 0 "[ . 1 . 2]" 1
1820 2 67 VAL HB 2 68 THR H . . 4.480 2.728 2.553 2.907 . 0 0 "[ . 1 . 2]" 1
1821 2 107 ILE HB 2 108 VAL H . . 3.500 3.192 2.905 3.533 0.033 11 0 "[ . 1 . 2]" 1
1822 2 98 ARG QB 2 99 TRP H . . 3.890 3.343 3.097 3.670 . 0 0 "[ . 1 . 2]" 1
1823 2 97 VAL H 2 97 VAL HB . . 3.730 2.979 2.866 3.099 . 0 0 "[ . 1 . 2]" 1
1824 2 97 VAL H 2 97 VAL MG1 . . 4.350 3.991 3.945 4.021 . 0 0 "[ . 1 . 2]" 1
1825 2 53 LEU QD 2 111 PHE H . . 4.850 4.327 3.734 4.703 . 0 0 "[ . 1 . 2]" 1
1826 2 66 ILE MG 2 68 THR H . . 4.980 4.680 4.423 4.966 . 0 0 "[ . 1 . 2]" 1
1827 2 68 THR H 2 68 THR MG . . 4.040 3.221 2.458 3.643 . 0 0 "[ . 1 . 2]" 1
1828 2 68 THR MG 2 69 CYS H . . 3.500 3.531 3.246 3.603 0.103 20 0 "[ . 1 . 2]" 1
1829 2 68 THR H 2 110 ALA MB . . 5.500 4.665 4.125 5.141 . 0 0 "[ . 1 . 2]" 1
1830 2 71 ILE MG 2 107 ILE H . . 5.500 4.796 4.070 5.393 . 0 0 "[ . 1 . 2]" 1
1831 2 107 ILE H 2 107 ILE HG13 . . 2.840 2.254 2.019 2.503 . 0 0 "[ . 1 . 2]" 1
1832 2 108 VAL H 2 108 VAL MG2 . . 3.790 3.748 2.504 3.905 0.115 2 0 "[ . 1 . 2]" 1
1833 2 46 THR HA 2 50 GLU H . . 4.870 4.341 4.098 4.432 . 0 0 "[ . 1 . 2]" 1
1834 2 141 GLU H 2 142 ILE HA . . 5.500 5.408 4.788 5.624 0.124 5 0 "[ . 1 . 2]" 1
1835 2 90 SER QB 2 126 LYS H . . 4.560 3.450 2.245 4.498 . 0 0 "[ . 1 . 2]" 1
1836 2 47 ASN H 2 47 ASN HB2 . . 3.910 2.450 2.422 2.490 . 0 0 "[ . 1 . 2]" 1
1837 2 53 LEU HA 2 56 LEU H . . 5.470 3.596 3.459 3.684 . 0 0 "[ . 1 . 2]" 1
1838 2 52 THR HB 2 54 SER H . . 4.870 4.914 4.873 4.961 0.091 18 0 "[ . 1 . 2]" 1
1839 2 56 LEU H 2 57 THR HB . . 4.850 4.826 4.642 4.884 0.034 14 0 "[ . 1 . 2]" 1
1840 2 94 SER HA 2 111 PHE QD . . 4.670 3.780 2.621 4.676 0.006 7 0 "[ . 1 . 2]" 1
1841 2 20 SER H 2 22 ILE HB . . 5.500 5.479 5.375 5.546 0.046 10 0 "[ . 1 . 2]" 1
1842 2 49 VAL HB 2 50 GLU H . . 3.030 3.028 2.973 3.058 0.028 8 0 "[ . 1 . 2]" 1
1843 2 16 VAL HB 2 17 ASP H . . 4.120 3.095 2.612 4.098 . 0 0 "[ . 1 . 2]" 1
1844 2 66 ILE H 2 66 ILE HB . . 3.650 3.216 2.982 3.360 . 0 0 "[ . 1 . 2]" 1
1845 2 132 ILE H 2 132 ILE HB . . 3.260 2.581 2.485 2.654 . 0 0 "[ . 1 . 2]" 1
1846 2 63 PHE HB3 2 64 LYS H . . 4.030 3.183 2.339 4.137 0.107 20 0 "[ . 1 . 2]" 1
1847 2 51 GLN H 2 51 GLN HG2 . . 3.810 3.487 2.409 3.852 0.042 17 0 "[ . 1 . 2]" 1
1848 2 15 VAL H 2 18 GLU QG . . 5.500 3.707 2.369 4.449 . 0 0 "[ . 1 . 2]" 1
1849 2 24 LYS H 2 25 GLU HG2 . . 5.250 5.258 5.218 5.283 0.033 13 0 "[ . 1 . 2]" 1
1850 2 23 VAL HB 2 24 LYS H . . 4.040 4.037 3.999 4.078 0.038 9 0 "[ . 1 . 2]" 1
1851 2 24 LYS H 2 24 LYS HB2 . . 2.400 2.434 2.409 2.452 0.052 11 0 "[ . 1 . 2]" 1
1852 2 98 ARG H 2 98 ARG QB . . 3.310 3.015 2.705 3.179 . 0 0 "[ . 1 . 2]" 1
1853 2 24 LYS H 2 24 LYS QD . . 3.000 2.322 2.127 2.823 . 0 0 "[ . 1 . 2]" 1
1854 2 24 LYS H 2 24 LYS HG2 . . 4.670 4.293 4.254 4.325 . 0 0 "[ . 1 . 2]" 1
1855 2 141 GLU H 2 141 GLU QG . . 4.810 3.317 1.923 4.187 . 0 0 "[ . 1 . 2]" 1
1856 2 4 GLU H 2 4 GLU QG . . 2.900 2.193 1.996 2.634 . 0 0 "[ . 1 . 2]" 1
1857 2 4 GLU H 2 4 GLU HB3 . . 3.090 2.614 2.396 2.929 . 0 0 "[ . 1 . 2]" 1
1858 2 126 LYS H 2 126 LYS QD . . 2.680 2.386 1.967 2.770 0.090 14 0 "[ . 1 . 2]" 1
1859 2 56 LEU H 2 58 LYS HG2 . . 5.100 5.057 4.857 5.141 0.041 18 0 "[ . 1 . 2]" 1
1860 2 22 ILE HB 2 23 VAL H . . 3.180 2.684 2.609 2.797 . 0 0 "[ . 1 . 2]" 1
1861 2 53 LEU HB3 2 54 SER H . . 3.880 2.748 2.625 2.908 . 0 0 "[ . 1 . 2]" 1
1862 2 133 THR MG 2 134 GLN H . . 3.770 3.552 3.312 3.638 . 0 0 "[ . 1 . 2]" 1
1863 2 113 LEU H 2 113 LEU MD1 . . 4.430 3.034 2.328 3.610 . 0 0 "[ . 1 . 2]" 1
1864 2 48 VAL MG1 2 50 GLU H . . 4.500 4.549 4.505 4.576 0.076 14 0 "[ . 1 . 2]" 1
1865 2 95 CYS H 2 110 ALA MB . . 5.060 2.966 2.266 3.730 . 0 0 "[ . 1 . 2]" 1
1866 2 83 SER H 2 133 THR MG . . 4.720 4.275 4.157 4.475 . 0 0 "[ . 1 . 2]" 1
1867 2 16 VAL H 2 16 VAL MG2 . . 3.790 2.584 1.925 3.800 0.010 11 0 "[ . 1 . 2]" 1
1868 2 90 SER H 2 91 THR MG . . 5.500 5.316 4.097 5.583 0.083 6 0 "[ . 1 . 2]" 1
1869 2 53 LEU QD 2 110 ALA H . . 5.500 4.942 4.459 5.512 0.012 1 0 "[ . 1 . 2]" 1
1870 2 24 LYS H 2 27 ILE HB . . 5.500 5.300 5.197 5.421 . 0 0 "[ . 1 . 2]" 1
1871 1 68 THR MG 2 84 SER H . . 5.500 4.334 3.215 5.565 0.065 17 0 "[ . 1 . 2]" 1
1872 2 97 VAL MG2 2 98 ARG H . . 4.170 4.222 4.148 4.276 0.106 14 0 "[ . 1 . 2]" 1
1873 2 24 LYS H 2 27 ILE MD . . 4.780 4.321 4.167 4.437 . 0 0 "[ . 1 . 2]" 1
1874 2 45 THR MG 2 47 ASN H . . 5.010 4.836 4.705 4.927 . 0 0 "[ . 1 . 2]" 1
1875 2 125 ILE MG 2 126 LYS H . . 4.210 3.823 3.319 4.171 . 0 0 "[ . 1 . 2]" 1
1876 2 30 ALA MB 2 48 VAL H . . 4.750 4.695 4.464 4.789 0.039 15 0 "[ . 1 . 2]" 1
1877 2 135 VAL MG1 2 136 ASP H . . 4.760 4.315 4.029 4.399 . 0 0 "[ . 1 . 2]" 1
1878 2 22 ILE MD 2 56 LEU H . . 5.190 4.339 3.990 4.877 . 0 0 "[ . 1 . 2]" 1
1879 2 133 THR MG 2 135 VAL H . . 5.500 4.800 4.575 5.003 . 0 0 "[ . 1 . 2]" 1
1880 2 23 VAL H 2 23 VAL MG1 . . 3.930 2.324 2.245 2.410 . 0 0 "[ . 1 . 2]" 1
1881 2 125 ILE H 2 125 ILE HG12 . . 3.500 2.691 2.080 3.333 . 0 0 "[ . 1 . 2]" 1
1882 2 66 ILE H 2 66 ILE MG . . 4.300 2.422 2.175 2.538 . 0 0 "[ . 1 . 2]" 1
1883 2 24 LYS HA 2 27 ILE H . . 5.500 3.476 3.358 3.558 . 0 0 "[ . 1 . 2]" 1
1884 2 6 TYR H 2 6 TYR HB3 . . 3.810 3.524 2.517 3.841 0.031 7 0 "[ . 1 . 2]" 1
1885 2 52 THR HA 2 55 GLN H . . 4.600 3.393 3.285 3.521 . 0 0 "[ . 1 . 2]" 1
1886 2 39 SER HA 2 42 ASN H . . 5.300 3.631 3.277 4.940 . 0 0 "[ . 1 . 2]" 1
1887 2 28 GLU H 2 29 SER QB . . 5.500 4.616 4.482 5.098 . 0 0 "[ . 1 . 2]" 1
1888 2 55 GLN H 2 57 THR HB . . 5.500 5.119 4.852 5.308 . 0 0 "[ . 1 . 2]" 1
1889 2 42 ASN H 2 42 ASN HB2 . . 3.760 2.545 2.255 2.762 . 0 0 "[ . 1 . 2]" 1
1890 2 24 LYS HA 2 28 GLU H . . 4.290 3.785 3.572 3.935 . 0 0 "[ . 1 . 2]" 1
1891 2 23 VAL HA 2 25 GLU H . . 5.430 4.827 4.780 4.894 . 0 0 "[ . 1 . 2]" 1
1892 2 27 ILE HA 2 31 ILE H . . 4.520 4.128 3.989 4.295 . 0 0 "[ . 1 . 2]" 1
1893 2 46 THR HA 2 49 VAL H . . 4.600 4.234 4.034 4.344 . 0 0 "[ . 1 . 2]" 1
1894 2 41 VAL HA 2 44 TRP H . . 3.610 3.324 3.135 3.490 . 0 0 "[ . 1 . 2]" 1
1895 2 28 GLU HA 2 32 GLY H . . 4.610 4.150 3.746 4.770 0.160 17 0 "[ . 1 . 2]" 1
1896 2 27 ILE H 2 30 ALA MB . . 5.190 4.899 4.688 5.053 . 0 0 "[ . 1 . 2]" 1
1897 2 27 ILE H 2 27 ILE HB . . 3.720 2.530 2.479 2.578 . 0 0 "[ . 1 . 2]" 1
1898 2 53 LEU H 2 53 LEU HB2 . . 3.910 2.207 2.161 2.306 . 0 0 "[ . 1 . 2]" 1
1899 2 29 SER H 2 30 ALA MB . . 4.880 4.419 4.297 4.494 . 0 0 "[ . 1 . 2]" 1
1900 2 28 GLU HB3 2 29 SER H . . 4.080 3.907 3.811 3.988 . 0 0 "[ . 1 . 2]" 1
1901 2 25 GLU HG2 2 26 ALA H . . 4.830 3.941 3.883 4.002 . 0 0 "[ . 1 . 2]" 1
1902 2 26 ALA H 2 26 ALA MB . . 3.120 2.244 2.206 2.273 . 0 0 "[ . 1 . 2]" 1
1903 2 28 GLU H 2 28 GLU HB3 . . 3.640 3.651 3.633 3.669 0.029 7 0 "[ . 1 . 2]" 1
1904 2 121 GLN H 2 121 GLN HG3 . . 3.860 3.315 2.311 3.949 0.089 9 0 "[ . 1 . 2]" 1
1905 2 25 GLU H 2 25 GLU HG3 . . 3.000 2.738 2.637 2.792 . 0 0 "[ . 1 . 2]" 1
1906 2 25 GLU H 2 25 GLU HG2 . . 3.730 3.216 3.155 3.296 . 0 0 "[ . 1 . 2]" 1
1907 2 51 GLN HB3 2 52 THR H . . 4.170 3.669 3.580 3.779 . 0 0 "[ . 1 . 2]" 1
1908 2 24 LYS HB3 2 25 GLU H . . 3.700 3.343 3.297 3.393 . 0 0 "[ . 1 . 2]" 1
1909 2 24 LYS HB2 2 25 GLU H . . 3.320 2.605 2.559 2.665 . 0 0 "[ . 1 . 2]" 1
1910 2 102 LYS HB2 2 103 THR H . . 3.770 2.940 2.220 3.529 . 0 0 "[ . 1 . 2]" 1
1911 2 11 GLU QG 2 13 ALA H . . 5.500 4.581 4.292 5.122 . 0 0 "[ . 1 . 2]" 1
1912 2 30 ALA MB 2 31 ILE H . . 3.530 2.718 2.600 2.848 . 0 0 "[ . 1 . 2]" 1
1913 2 142 ILE HB 2 143 VAL H . . 4.320 2.472 2.060 4.296 . 0 0 "[ . 1 . 2]" 1
1914 2 30 ALA H 2 30 ALA MB . . 3.260 2.218 2.187 2.249 . 0 0 "[ . 1 . 2]" 1
1915 2 30 ALA H 2 31 ILE HB . . 5.500 4.846 4.589 4.979 . 0 0 "[ . 1 . 2]" 1
1916 2 43 GLN QG 2 44 TRP H . . 4.070 2.676 2.585 2.876 . 0 0 "[ . 1 . 2]" 1
1917 2 43 GLN H 2 43 GLN QG . . 2.720 2.365 2.020 2.571 . 0 0 "[ . 1 . 2]" 1
1918 2 18 GLU QG 2 19 VAL H . . 3.240 3.216 2.912 3.414 0.174 18 0 "[ . 1 . 2]" 1
1919 2 19 VAL H 2 19 VAL HB . . 3.580 2.624 2.328 3.608 0.028 12 0 "[ . 1 . 2]" 1
1920 2 30 ALA MB 2 32 GLY H . . 4.650 4.613 4.496 4.691 0.041 11 0 "[ . 1 . 2]" 1
1921 2 55 GLN HG2 2 59 LEU H . . 5.120 5.112 5.070 5.186 0.066 20 0 "[ . 1 . 2]" 1
1922 2 58 LYS HB2 2 59 LEU H . . 3.510 3.011 2.741 3.189 . 0 0 "[ . 1 . 2]" 1
1923 2 132 ILE MG 2 133 THR H . . 4.050 2.445 2.281 2.649 . 0 0 "[ . 1 . 2]" 1
1924 2 57 THR MG 2 63 PHE H . . 3.790 2.912 1.994 3.856 0.066 6 0 "[ . 1 . 2]" 1
1925 2 127 LEU H 2 127 LEU MD2 . . 4.460 3.856 3.085 4.519 0.059 16 0 "[ . 1 . 2]" 1
1926 2 26 ALA H 2 52 THR MG . . 5.450 4.242 3.917 4.670 . 0 0 "[ . 1 . 2]" 1
1927 2 52 THR MG 2 55 GLN H . . 5.260 4.780 4.622 4.902 . 0 0 "[ . 1 . 2]" 1
1928 2 26 ALA H 2 27 ILE MD . . 5.200 5.238 5.219 5.266 0.066 4 0 "[ . 1 . 2]" 1
1929 2 31 ILE H 2 31 ILE HG12 . . 3.840 3.565 3.413 3.723 . 0 0 "[ . 1 . 2]" 1
1930 2 31 ILE H 2 31 ILE MG . . 3.850 3.819 3.755 3.853 0.003 5 0 "[ . 1 . 2]" 1
1931 2 48 VAL MG1 2 49 VAL H . . 4.670 2.931 2.826 3.062 . 0 0 "[ . 1 . 2]" 1
1932 2 27 ILE MD 2 99 TRP HE3 . . 4.770 4.576 4.395 4.734 . 0 0 "[ . 1 . 2]" 1
1933 2 19 VAL H 2 19 VAL MG2 . . 4.190 2.119 1.931 2.819 . 0 0 "[ . 1 . 2]" 1
1934 2 19 VAL H 2 19 VAL MG1 . . 4.190 3.728 2.136 3.879 . 0 0 "[ . 1 . 2]" 1
1935 2 19 VAL H 2 22 ILE MD . . 5.320 3.909 3.631 4.111 . 0 0 "[ . 1 . 2]" 1
1936 2 31 ILE MG 2 32 GLY H . . 5.500 3.447 3.208 3.641 . 0 0 "[ . 1 . 2]" 1
1937 2 27 ILE H 2 27 ILE MG . . 4.120 3.840 3.815 3.860 . 0 0 "[ . 1 . 2]" 1
1938 2 125 ILE H 2 125 ILE HB . . 3.880 3.720 3.581 3.888 0.008 13 0 "[ . 1 . 2]" 1
1939 2 27 ILE HB 2 28 GLU H . . 2.600 2.506 2.486 2.528 . 0 0 "[ . 1 . 2]" 1
1940 2 31 ILE H 2 31 ILE HB . . 3.410 2.493 2.321 2.587 . 0 0 "[ . 1 . 2]" 1
1941 2 19 VAL HA 2 22 ILE H . . 4.800 3.224 3.018 3.334 . 0 0 "[ . 1 . 2]" 1
1942 2 21 ASN QB 2 22 ILE H . . 4.450 2.769 2.567 2.868 . 0 0 "[ . 1 . 2]" 1
1943 2 46 THR H 2 47 ASN HB2 . . 5.160 5.071 4.998 5.135 . 0 0 "[ . 1 . 2]" 1
1944 2 44 TRP HD1 2 47 ASN HB3 . . 3.770 3.697 3.563 3.808 0.038 17 0 "[ . 1 . 2]" 1
1945 2 40 LYS QE 2 44 TRP HD1 . . 5.500 5.011 3.921 5.590 0.090 17 0 "[ . 1 . 2]" 1
1946 2 44 TRP HD1 2 47 ASN HB2 . . 5.500 4.766 4.583 4.898 . 0 0 "[ . 1 . 2]" 1
1947 2 58 LYS H 2 58 LYS HG3 . . 4.210 3.946 3.791 4.029 . 0 0 "[ . 1 . 2]" 1
1948 2 22 ILE H 2 22 ILE HG12 . . 2.900 3.009 2.921 3.044 0.144 11 0 "[ . 1 . 2]" 1
1949 2 40 LYS QG 2 44 TRP HZ2 . . 4.830 3.176 2.907 3.618 . 0 0 "[ . 1 . 2]" 1
1950 2 111 PHE QD 2 113 LEU MD1 . . 4.930 3.716 2.701 4.745 . 0 0 "[ . 1 . 2]" 1
1951 2 40 LYS QG 2 44 TRP HZ3 . . 5.500 4.811 4.585 5.093 . 0 0 "[ . 1 . 2]" 1
1952 2 66 ILE HG12 2 111 PHE QD . . 5.500 5.006 3.935 5.537 0.037 8 0 "[ . 1 . 2]" 1
1953 2 40 LYS QG 2 44 TRP HE3 . . 5.500 5.539 5.502 5.617 0.117 12 0 "[ . 1 . 2]" 1
1954 2 18 GLU H 2 18 GLU HB3 . . 3.560 2.692 2.289 3.697 0.137 14 0 "[ . 1 . 2]" 1
1955 2 18 GLU H 2 18 GLU QG . . 4.040 3.630 2.148 4.068 0.028 10 0 "[ . 1 . 2]" 1
1956 2 27 ILE MD 2 99 TRP HD1 . . 5.000 3.922 3.732 4.146 . 0 0 "[ . 1 . 2]" 1
1957 2 22 ILE H 2 22 ILE MG . . 3.850 3.837 3.824 3.860 0.010 13 0 "[ . 1 . 2]" 1
1958 2 31 ILE HG13 2 44 TRP HZ2 . . 5.500 4.948 4.764 5.154 . 0 0 "[ . 1 . 2]" 1
1959 2 31 ILE MD 2 44 TRP HZ2 . . 5.500 4.835 4.600 5.015 . 0 0 "[ . 1 . 2]" 1
1960 2 27 ILE HG12 2 99 TRP HH2 . . 5.300 5.347 5.279 5.374 0.074 9 0 "[ . 1 . 2]" 1
1961 2 27 ILE MD 2 99 TRP HH2 . . 3.780 3.712 3.552 3.807 0.027 2 0 "[ . 1 . 2]" 1
1962 2 41 VAL MG1 2 99 TRP HZ3 . . 5.500 4.066 3.112 5.539 0.039 5 0 "[ . 1 . 2]" 1
1963 2 27 ILE MD 2 99 TRP HZ3 . . 5.500 4.580 4.363 4.757 . 0 0 "[ . 1 . 2]" 1
1964 2 41 VAL MG2 2 99 TRP HZ3 . . 5.500 3.301 2.926 3.719 . 0 0 "[ . 1 . 2]" 1
1965 2 31 ILE HG12 2 44 TRP HZ3 . . 4.130 3.297 3.123 3.464 . 0 0 "[ . 1 . 2]" 1
1966 2 66 ILE MG 2 111 PHE QD . . 3.400 3.000 2.331 3.451 0.051 18 0 "[ . 1 . 2]" 1
1967 2 27 ILE MG 2 44 TRP HZ3 . . 4.820 4.872 4.835 4.941 0.121 15 0 "[ . 1 . 2]" 1
1968 2 87 TRP HD1 2 130 ALA MB . . 5.500 4.802 2.862 5.544 0.044 18 0 "[ . 1 . 2]" 1
1969 2 41 VAL HB 2 44 TRP HE3 . . 5.500 4.399 3.317 4.798 . 0 0 "[ . 1 . 2]" 1
1970 2 65 TYR HA 2 110 ALA MB . . 5.500 5.467 5.115 5.584 0.084 4 0 "[ . 1 . 2]" 1
1971 1 70 VAL MG2 2 81 THR HA . . 4.890 3.545 3.110 4.102 . 0 0 "[ . 1 . 2]" 1
1972 1 70 VAL MG1 2 81 THR HA . . 4.890 4.147 3.488 5.078 0.188 4 0 "[ . 1 . 2]" 1
1973 2 73 GLN QG 2 105 TYR QD . . 5.500 5.490 4.965 5.705 0.205 6 0 "[ . 1 . 2]" 1
1974 2 98 ARG HA 2 107 ILE HB . . 4.520 3.782 2.799 4.455 . 0 0 "[ . 1 . 2]" 1
1975 2 67 VAL MG1 2 110 ALA HA . . 4.510 2.281 2.039 2.849 . 0 0 "[ . 1 . 2]" 1
1976 2 67 VAL HA 2 110 ALA MB . . 4.090 3.567 3.058 3.902 . 0 0 "[ . 1 . 2]" 1
1977 2 129 MET HA 2 130 ALA MB . . 4.580 3.939 3.800 4.260 . 0 0 "[ . 1 . 2]" 1
1978 2 96 THR MG 2 109 SER HA . . 5.000 4.192 3.956 4.365 . 0 0 "[ . 1 . 2]" 1
1979 2 67 VAL HA 2 68 THR MG . . 4.680 4.170 3.696 4.518 . 0 0 "[ . 1 . 2]" 1
1980 2 82 ALA MB 2 134 GLN HA . . 3.880 3.264 2.738 3.605 . 0 0 "[ . 1 . 2]" 1
1981 2 133 THR MG 2 134 GLN HA . . 4.210 4.108 3.926 4.229 0.019 1 0 "[ . 1 . 2]" 1
1982 2 96 THR HA 2 110 ALA MB . . 4.380 3.965 3.640 4.311 . 0 0 "[ . 1 . 2]" 1
1983 2 53 LEU QD 2 96 THR HA . . 5.500 5.955 5.609 6.225 0.725 18 8 "[* .-***1 *. +*2]" 1
1984 2 98 ARG HA 2 107 ILE MG . . 4.450 2.407 2.152 2.865 . 0 0 "[ . 1 . 2]" 1
1985 2 71 ILE MG 2 106 CYS HA . . 4.790 3.033 2.291 3.473 . 0 0 "[ . 1 . 2]" 1
1986 2 140 ARG HA 2 140 ARG QD . . 2.860 2.596 2.258 2.910 0.050 15 0 "[ . 1 . 2]" 1
1987 2 121 GLN HA 2 121 GLN HG2 . . 4.240 3.120 2.203 4.247 0.007 8 0 "[ . 1 . 2]" 1
1988 2 121 GLN HA 2 121 GLN HG3 . . 4.240 3.700 2.717 4.265 0.025 18 0 "[ . 1 . 2]" 1
1989 2 15 VAL HA 2 16 VAL HA . . 4.740 4.321 4.219 4.385 . 0 0 "[ . 1 . 2]" 1
1990 2 44 TRP HB2 2 45 THR HB . . 4.570 4.307 4.134 4.444 . 0 0 "[ . 1 . 2]" 1
1991 2 51 GLN HA 2 51 GLN HG3 . . 3.990 3.328 3.137 3.783 . 0 0 "[ . 1 . 2]" 1
1992 2 57 THR HB 2 58 LYS HA . . 4.810 4.646 4.441 4.820 0.010 11 0 "[ . 1 . 2]" 1
1993 2 49 VAL HA 2 52 THR HB . . 4.180 2.265 2.156 2.392 . 0 0 "[ . 1 . 2]" 1
1994 2 43 GLN HA 2 43 GLN QG . . 3.860 3.389 3.355 3.412 . 0 0 "[ . 1 . 2]" 1
1995 2 25 GLU HA 2 25 GLU HG3 . . 3.890 3.682 3.672 3.697 . 0 0 "[ . 1 . 2]" 1
1996 2 25 GLU HG3 2 26 ALA HA . . 4.250 4.103 4.032 4.201 . 0 0 "[ . 1 . 2]" 1
1997 2 46 THR MG 2 47 ASN HA . . 4.570 3.382 3.334 3.461 . 0 0 "[ . 1 . 2]" 1
1998 2 21 ASN HA 2 24 LYS HB2 . . 4.110 2.973 2.864 3.161 . 0 0 "[ . 1 . 2]" 1
1999 2 21 ASN HA 2 24 LYS QD . . 3.020 2.348 2.271 2.463 . 0 0 "[ . 1 . 2]" 1
2000 2 70 VAL MG2 2 81 THR HB . . 5.240 4.262 3.647 4.810 . 0 0 "[ . 1 . 2]" 1
2001 2 70 VAL MG1 2 81 THR HB . . 5.240 4.374 3.557 5.107 . 0 0 "[ . 1 . 2]" 1
2002 2 130 ALA MB 2 131 LYS HA . . 4.020 4.129 4.073 4.209 0.189 17 0 "[ . 1 . 2]" 1
2003 2 15 VAL HA 2 16 VAL HB . . 5.120 4.734 4.319 5.115 . 0 0 "[ . 1 . 2]" 1
2004 2 58 LYS HA 2 58 LYS HG3 . . 3.920 3.805 3.744 3.915 . 0 0 "[ . 1 . 2]" 1
2005 1 68 THR MG 2 83 SER HB3 . . 5.500 3.038 2.042 4.674 . 0 0 "[ . 1 . 2]" 1
2006 2 43 GLN HA 2 46 THR MG . . 4.180 2.044 2.021 2.079 . 0 0 "[ . 1 . 2]" 1
2007 2 58 LYS HA 2 58 LYS HB3 . . 2.400 2.319 2.287 2.345 . 0 0 "[ . 1 . 2]" 1
2008 2 43 GLN HA 2 43 GLN QB . . 2.400 2.119 2.109 2.133 . 0 0 "[ . 1 . 2]" 1
2009 2 26 ALA MB 2 52 THR HB . . 5.500 3.764 3.562 4.002 . 0 0 "[ . 1 . 2]" 1
2010 2 125 ILE HA 2 125 ILE HG12 . . 4.100 4.000 3.732 4.178 0.078 19 0 "[ . 1 . 2]" 1
2011 2 90 SER QB 2 125 ILE HB . . 4.040 3.319 2.106 4.110 0.070 5 0 "[ . 1 . 2]" 1
2012 2 102 LYS HA 2 102 LYS HG3 . . 3.620 3.449 2.821 3.616 . 0 0 "[ . 1 . 2]" 1
2013 2 25 GLU HA 2 25 GLU HB2 . . 2.400 2.325 2.312 2.342 . 0 0 "[ . 1 . 2]" 1
2014 2 55 GLN HA 2 58 LYS HB2 . . 4.130 3.407 3.125 3.631 . 0 0 "[ . 1 . 2]" 1
2015 2 55 GLN HA 2 58 LYS HG2 . . 3.730 2.438 2.217 2.653 . 0 0 "[ . 1 . 2]" 1
2016 1 68 THR MG 2 83 SER HB2 . . 5.500 3.554 2.215 4.842 . 0 0 "[ . 1 . 2]" 1
2017 2 39 SER HA 2 41 VAL HB . . 5.500 4.871 4.168 5.540 0.040 16 0 "[ . 1 . 2]" 1
2018 2 45 THR HA 2 46 THR MG . . 5.500 5.376 5.322 5.443 . 0 0 "[ . 1 . 2]" 1
2019 2 78 GLY QA 2 79 LEU MD2 . . 5.500 4.328 2.860 5.173 . 0 0 "[ . 1 . 2]" 1
2020 2 90 SER HA 2 125 ILE MG . . 4.770 4.125 3.195 4.836 0.066 13 0 "[ . 1 . 2]" 1
2021 2 124 PRO HA 2 125 ILE MG . . 5.000 3.739 3.483 4.209 . 0 0 "[ . 1 . 2]" 1
2022 2 97 VAL HA 2 97 VAL MG1 . . 3.480 2.262 2.195 2.325 . 0 0 "[ . 1 . 2]" 1
2023 2 141 GLU HA 2 142 ILE MD . . 4.580 3.037 2.795 4.165 . 0 0 "[ . 1 . 2]" 1
2024 2 142 ILE HA 2 143 VAL QG . . 3.950 3.534 3.116 4.124 0.174 12 0 "[ . 1 . 2]" 1
2025 2 15 VAL HA 2 15 VAL MG1 . . 3.560 3.231 2.463 3.283 . 0 0 "[ . 1 . 2]" 1
2026 2 135 VAL HA 2 135 VAL MG1 . . 3.540 3.249 3.205 3.278 . 0 0 "[ . 1 . 2]" 1
2027 2 90 SER QB 2 125 ILE MG . . 4.880 2.612 2.028 4.665 . 0 0 "[ . 1 . 2]" 1
2028 2 57 THR HA 2 57 THR MG . . 3.490 2.519 2.434 2.670 . 0 0 "[ . 1 . 2]" 1
2029 2 48 VAL MG1 2 52 THR HB . . 4.390 2.580 2.506 2.650 . 0 0 "[ . 1 . 2]" 1
2030 2 4 GLU QG 2 5 ASP HA . . 3.930 3.757 3.469 4.088 0.158 8 0 "[ . 1 . 2]" 1
2031 2 43 GLN QG 2 44 TRP HA . . 4.220 3.716 3.574 4.099 . 0 0 "[ . 1 . 2]" 1
2032 2 52 THR HA 2 55 GLN HG2 . . 4.450 3.883 3.766 4.119 . 0 0 "[ . 1 . 2]" 1
2033 2 57 THR HB 2 58 LYS HG2 . . 4.840 3.932 3.624 4.195 . 0 0 "[ . 1 . 2]" 1
2034 2 56 LEU HA 2 59 LEU HG . . 4.170 3.672 2.944 4.246 0.076 8 0 "[ . 1 . 2]" 1
2035 2 24 LYS HA 2 24 LYS HB3 . . 2.700 2.562 2.553 2.575 . 0 0 "[ . 1 . 2]" 1
2036 2 24 LYS HA 2 24 LYS HG3 . . 3.710 2.231 2.209 2.251 . 0 0 "[ . 1 . 2]" 1
2037 2 24 LYS HA 2 24 LYS HG2 . . 3.410 3.366 3.209 3.433 0.023 10 0 "[ . 1 . 2]" 1
2038 2 22 ILE HA 2 25 GLU HG2 . . 4.180 2.500 2.402 2.681 . 0 0 "[ . 1 . 2]" 1
2039 2 28 GLU HA 2 28 GLU HB3 . . 2.550 2.403 2.350 2.437 . 0 0 "[ . 1 . 2]" 1
2040 2 19 VAL HA 2 22 ILE HB . . 3.500 2.708 2.400 3.071 . 0 0 "[ . 1 . 2]" 1
2041 2 16 VAL HA 2 16 VAL MG2 . . 3.360 2.382 2.278 2.517 . 0 0 "[ . 1 . 2]" 1
2042 2 19 VAL HA 2 22 ILE HG13 . . 5.500 2.481 2.210 2.975 . 0 0 "[ . 1 . 2]" 1
2043 2 28 GLU HA 2 31 ILE HB . . 4.140 2.316 2.204 2.414 . 0 0 "[ . 1 . 2]" 1
2044 2 56 LEU HA 2 56 LEU MD2 . . 4.790 3.913 3.506 3.992 . 0 0 "[ . 1 . 2]" 1
2045 2 24 LYS HA 2 27 ILE MD . . 3.590 2.721 2.436 2.930 . 0 0 "[ . 1 . 2]" 1
2046 2 53 LEU HA 2 53 LEU QD . . 3.180 2.107 2.011 2.252 . 0 0 "[ . 1 . 2]" 1
2047 2 22 ILE HA 2 22 ILE MD . . 3.960 3.871 3.780 3.904 . 0 0 "[ . 1 . 2]" 1
2048 2 46 THR HA 2 46 THR MG . . 3.440 3.251 3.244 3.262 . 0 0 "[ . 1 . 2]" 1
2049 2 23 VAL HA 2 23 VAL MG1 . . 3.500 3.235 3.223 3.246 . 0 0 "[ . 1 . 2]" 1
2050 2 31 ILE HG12 2 44 TRP HB3 . . 4.710 4.429 4.217 4.715 0.005 7 0 "[ . 1 . 2]" 1
2051 2 48 VAL MG1 2 52 THR HA . . 5.070 4.425 4.358 4.472 . 0 0 "[ . 1 . 2]" 1
2052 2 52 THR HA 2 52 THR MG . . 2.520 2.508 2.465 2.553 0.033 5 0 "[ . 1 . 2]" 1
2053 2 49 VAL HA 2 49 VAL MG2 . . 3.230 2.349 2.321 2.371 . 0 0 "[ . 1 . 2]" 1
2054 2 16 VAL HA 2 16 VAL MG1 . . 3.360 2.675 2.292 3.288 . 0 0 "[ . 1 . 2]" 1
2055 2 19 VAL HA 2 19 VAL MG1 . . 3.240 2.482 2.355 2.661 . 0 0 "[ . 1 . 2]" 1
2056 2 53 LEU HA 2 56 LEU HG . . 3.970 2.342 2.154 4.016 0.046 18 0 "[ . 1 . 2]" 1
2057 2 53 LEU HA 2 56 LEU MD1 . . 4.330 2.828 1.891 3.202 . 0 0 "[ . 1 . 2]" 1
2058 2 56 LEU HA 2 56 LEU MD1 . . 4.790 3.807 3.659 3.887 . 0 0 "[ . 1 . 2]" 1
2059 2 24 LYS HA 2 27 ILE MG . . 4.780 4.231 4.080 4.404 . 0 0 "[ . 1 . 2]" 1
2060 2 27 ILE HA 2 27 ILE MG . . 3.370 2.452 2.405 2.505 . 0 0 "[ . 1 . 2]" 1
2061 2 55 GLN HA 2 55 GLN HG3 . . 3.750 2.819 2.744 2.885 . 0 0 "[ . 1 . 2]" 1
2062 2 52 THR HA 2 55 GLN HG3 . . 5.500 5.103 5.040 5.197 . 0 0 "[ . 1 . 2]" 1
2063 2 41 VAL HA 2 44 TRP HB2 . . 3.100 2.280 2.165 2.410 . 0 0 "[ . 1 . 2]" 1
2064 2 131 LYS QD 2 131 LYS QE . . 2.400 2.114 2.051 2.126 . 0 0 "[ . 1 . 2]" 1
2065 2 27 ILE HA 2 30 ALA MB . . 3.670 2.786 2.600 2.905 . 0 0 "[ . 1 . 2]" 1
2066 2 126 LYS QE 2 126 LYS HG2 . . 3.660 3.000 2.212 3.536 . 0 0 "[ . 1 . 2]" 1
2067 2 44 TRP HB2 2 45 THR MG . . 4.300 4.358 4.333 4.388 0.088 5 0 "[ . 1 . 2]" 1
2068 2 27 ILE HA 2 48 VAL MG1 . . 3.960 2.724 2.404 3.352 . 0 0 "[ . 1 . 2]" 1
2069 2 47 ASN HB3 2 48 VAL MG1 . . 5.500 5.534 5.521 5.566 0.066 7 0 "[ . 1 . 2]" 1
2070 2 53 LEU QD 2 65 TYR HB3 . . 4.430 2.962 2.103 3.950 . 0 0 "[ . 1 . 2]" 1
2071 2 27 ILE MD 2 44 TRP HB2 . . 5.270 5.105 4.963 5.240 . 0 0 "[ . 1 . 2]" 1
2072 2 44 TRP HB2 2 48 VAL MG2 . . 5.500 4.374 4.268 4.457 . 0 0 "[ . 1 . 2]" 1
2073 2 72 MET QG 2 79 LEU MD1 . . 5.500 3.786 2.089 5.538 0.038 4 0 "[ . 1 . 2]" 1
2074 2 31 ILE HG12 2 44 TRP HB2 . . 5.270 4.936 4.744 5.190 . 0 0 "[ . 1 . 2]" 1
2075 2 19 VAL MG2 2 95 CYS HB2 . . 4.920 4.108 2.512 5.014 0.094 5 0 "[ . 1 . 2]" 1
2076 2 15 VAL MG2 2 17 ASP HB3 . . 4.890 3.187 2.494 4.676 . 0 0 "[ . 1 . 2]" 1
2077 2 53 LEU QD 2 65 TYR HB2 . . 4.430 2.524 2.105 3.136 . 0 0 "[ . 1 . 2]" 1
2078 2 15 VAL MG2 2 17 ASP HB2 . . 4.890 3.353 2.826 4.983 0.093 4 0 "[ . 1 . 2]" 1
2079 2 22 ILE MG 2 55 GLN HG2 . . 4.020 3.305 2.753 3.700 . 0 0 "[ . 1 . 2]" 1
2080 2 111 PHE HB3 2 113 LEU MD1 . . 4.210 3.426 2.403 4.140 . 0 0 "[ . 1 . 2]" 1
2081 2 40 LYS QE 2 40 LYS QG . . 3.050 2.280 1.999 2.572 . 0 0 "[ . 1 . 2]" 1
2082 2 72 MET QG 2 79 LEU MD2 . . 5.500 3.676 2.107 5.495 . 0 0 "[ . 1 . 2]" 1
2083 2 111 PHE HB3 2 113 LEU MD2 . . 4.210 2.877 2.093 4.056 . 0 0 "[ . 1 . 2]" 1
2084 2 31 ILE HA 2 31 ILE MD . . 3.870 3.869 3.790 3.905 0.035 1 0 "[ . 1 . 2]" 1
2085 2 31 ILE MD 2 44 TRP HB2 . . 5.150 4.708 4.465 4.959 . 0 0 "[ . 1 . 2]" 1
2086 2 19 VAL MG1 2 95 CYS HB2 . . 4.920 2.839 2.174 4.793 . 0 0 "[ . 1 . 2]" 1
2087 2 27 ILE MG 2 44 TRP HB2 . . 4.840 3.728 3.635 3.842 . 0 0 "[ . 1 . 2]" 1
2088 2 82 ALA MB 2 134 GLN HG3 . . 4.130 2.303 2.156 2.720 . 0 0 "[ . 1 . 2]" 1
2089 2 7 GLN QG 2 8 ALA MB . . 3.720 3.684 3.488 3.828 0.108 13 0 "[ . 1 . 2]" 1
2090 2 11 GLU QG 2 12 THR MG . . 4.750 3.748 3.146 4.814 0.064 2 0 "[ . 1 . 2]" 1
2091 2 43 GLN QG 2 46 THR MG . . 5.050 4.548 4.515 4.599 . 0 0 "[ . 1 . 2]" 1
2092 2 45 THR HA 2 48 VAL HB . . 3.460 3.302 3.039 3.475 0.015 14 0 "[ . 1 . 2]" 1
2093 2 28 GLU HB2 2 29 SER QB . . 4.380 4.426 4.389 4.458 0.078 3 0 "[ . 1 . 2]" 1
2094 2 52 THR HB 2 53 LEU HB3 . . 5.500 5.195 5.026 5.324 . 0 0 "[ . 1 . 2]" 1
2095 2 52 THR HB 2 55 GLN HB3 . . 5.500 5.246 5.201 5.312 . 0 0 "[ . 1 . 2]" 1
2096 2 46 THR HA 2 49 VAL HB . . 4.400 3.262 3.170 3.340 . 0 0 "[ . 1 . 2]" 1
2097 2 52 THR HA 2 55 GLN HB2 . . 4.620 3.798 3.641 3.910 . 0 0 "[ . 1 . 2]" 1
2098 2 24 LYS HA 2 24 LYS QD . . 4.500 3.616 3.477 3.874 . 0 0 "[ . 1 . 2]" 1
2099 2 56 LEU HA 2 58 LYS HG2 . . 5.500 5.506 5.321 5.623 0.123 15 0 "[ . 1 . 2]" 1
2100 2 52 THR HA 2 55 GLN HB3 . . 4.510 2.357 2.290 2.410 . 0 0 "[ . 1 . 2]" 1
2101 2 16 VAL HA 2 19 VAL HB . . 3.950 2.592 2.246 4.303 0.353 12 0 "[ . 1 . 2]" 1
2102 2 26 ALA MB 2 52 THR HA . . 3.890 3.885 3.807 3.929 0.039 13 0 "[ . 1 . 2]" 1
2103 2 26 ALA MB 2 48 VAL HA . . 4.290 4.189 3.734 4.375 0.085 20 0 "[ . 1 . 2]" 1
2104 2 45 THR MG 2 46 THR HA . . 4.500 3.735 3.547 3.856 . 0 0 "[ . 1 . 2]" 1
2105 2 30 ALA MB 2 48 VAL HA . . 4.340 3.981 3.701 4.247 . 0 0 "[ . 1 . 2]" 1
2106 2 27 ILE HB 2 44 TRP HB3 . . 5.500 5.560 5.525 5.590 0.090 4 0 "[ . 1 . 2]" 1
2107 2 52 THR HB 2 53 LEU HB2 . . 4.000 4.063 4.016 4.132 0.132 7 0 "[ . 1 . 2]" 1
2108 2 24 LYS HA 2 27 ILE HB . . 3.800 2.797 2.667 2.960 . 0 0 "[ . 1 . 2]" 1
2109 2 22 ILE HA 2 22 ILE HG12 . . 3.920 2.539 2.463 2.616 . 0 0 "[ . 1 . 2]" 1
2110 2 19 VAL HA 2 22 ILE HG12 . . 5.030 4.054 3.769 4.441 . 0 0 "[ . 1 . 2]" 1
2111 2 48 VAL HA 2 48 VAL MG2 . . 3.150 2.234 2.183 2.265 . 0 0 "[ . 1 . 2]" 1
2112 2 22 ILE HA 2 22 ILE MG . . 2.910 2.371 2.333 2.404 . 0 0 "[ . 1 . 2]" 1
2113 2 115 ILE MD 2 116 GLY QA . . 5.500 3.522 2.601 5.235 . 0 0 "[ . 1 . 2]" 1
2114 2 78 GLY QA 2 79 LEU MD1 . . 4.790 3.708 2.427 4.972 0.182 16 0 "[ . 1 . 2]" 1
2115 2 19 VAL HA 2 22 ILE MD . . 3.420 2.349 2.132 2.700 . 0 0 "[ . 1 . 2]" 1
2116 2 22 ILE MD 2 56 LEU HA . . 4.800 3.125 2.690 3.471 . 0 0 "[ . 1 . 2]" 1
2117 2 66 ILE HB 2 111 PHE HB2 . . 5.500 4.701 4.558 4.862 . 0 0 "[ . 1 . 2]" 1
2118 2 27 ILE HA 2 48 VAL MG2 . . 3.420 2.027 1.995 2.058 . 0 0 "[ . 1 . 2]" 1
2119 2 67 VAL MG1 2 111 PHE HB2 . . 5.500 5.525 5.057 5.613 0.113 8 0 "[ . 1 . 2]" 1
2120 2 19 VAL MG2 2 95 CYS HB3 . . 4.920 4.372 1.957 4.956 0.036 17 0 "[ . 1 . 2]" 1
2121 1 111 PHE HB2 2 66 ILE MD . . 5.500 3.978 2.803 4.969 . 0 0 "[ . 1 . 2]" 1
2122 1 111 PHE HB3 2 66 ILE MD . . 5.500 4.177 3.090 5.041 . 0 0 "[ . 1 . 2]" 1
2123 2 53 LEU HA 2 56 LEU MD2 . . 4.330 2.289 2.091 4.433 0.103 18 0 "[ . 1 . 2]" 1
2124 2 27 ILE MD 2 99 TRP HB3 . . 5.000 5.055 4.981 5.091 0.091 18 0 "[ . 1 . 2]" 1
2125 2 27 ILE HA 2 27 ILE HG12 . . 3.370 2.681 2.637 2.735 . 0 0 "[ . 1 . 2]" 1
2126 2 31 ILE HA 2 31 ILE MG . . 3.580 2.481 2.364 2.670 . 0 0 "[ . 1 . 2]" 1
2127 2 19 VAL MG1 2 95 CYS HB3 . . 4.920 2.843 2.356 3.953 . 0 0 "[ . 1 . 2]" 1
2128 2 26 ALA MB 2 27 ILE HA . . 3.940 3.985 3.949 4.022 0.082 7 0 "[ . 1 . 2]" 1
2129 2 66 ILE MG 2 68 THR MG . . 4.410 4.261 3.517 4.464 0.054 14 0 "[ . 1 . 2]" 1
2130 2 66 ILE MG 2 113 LEU MD2 . . 5.500 3.639 2.575 5.595 0.095 13 0 "[ . 1 . 2]" 1
2131 2 66 ILE HG13 2 66 ILE MG . . 3.510 3.107 3.001 3.166 . 0 0 "[ . 1 . 2]" 1
2132 2 66 ILE MD 2 66 ILE MG . . 3.220 2.381 2.193 2.716 . 0 0 "[ . 1 . 2]" 1
2133 2 27 ILE MD 2 27 ILE MG . . 3.050 2.126 2.096 2.155 . 0 0 "[ . 1 . 2]" 1
2134 2 27 ILE MG 2 28 GLU HB3 . . 4.880 4.900 4.863 4.928 0.048 15 0 "[ . 1 . 2]" 1
2135 2 27 ILE MG 2 30 ALA MB . . 3.980 3.656 3.528 3.789 . 0 0 "[ . 1 . 2]" 1
2136 2 27 ILE MG 2 31 ILE MD . . 3.340 2.008 1.977 2.102 . 0 0 "[ . 1 . 2]" 1
2137 2 27 ILE MG 2 28 GLU HA . . 4.470 3.136 3.089 3.195 . 0 0 "[ . 1 . 2]" 1
2138 2 28 GLU HB3 2 31 ILE MD . . 3.880 3.904 3.740 3.940 0.060 6 0 "[ . 1 . 2]" 1
2139 2 53 LEU QD 2 56 LEU MD1 . . 3.240 2.077 1.926 2.272 . 0 0 "[ . 1 . 2]" 1
2140 2 57 THR MG 2 58 LYS HD3 . . 3.230 2.805 2.587 3.289 0.059 11 0 "[ . 1 . 2]" 1
2141 2 27 ILE HB 2 27 ILE MD . . 3.210 2.302 2.277 2.318 . 0 0 "[ . 1 . 2]" 1
2142 2 56 LEU MD2 2 110 ALA MB . . 4.860 4.715 4.368 4.906 0.046 14 0 "[ . 1 . 2]" 1
2143 2 27 ILE HG13 2 48 VAL HB . . 3.510 3.483 3.353 3.570 0.060 8 0 "[ . 1 . 2]" 1
2144 2 26 ALA MB 2 55 GLN HG2 . . 5.470 5.540 5.477 5.580 0.110 20 0 "[ . 1 . 2]" 1
2145 2 25 GLU HG3 2 26 ALA MB . . 3.320 3.344 3.327 3.366 0.046 18 0 "[ . 1 . 2]" 1
2146 2 9 ALA MB 2 11 GLU QG . . 5.500 3.293 2.121 5.236 . 0 0 "[ . 1 . 2]" 1
2147 1 70 VAL HB 2 81 THR MG . . 5.500 4.403 3.021 5.114 . 0 0 "[ . 1 . 2]" 1
2148 2 15 VAL MG1 2 17 ASP HB3 . . 4.890 2.507 2.276 2.873 . 0 0 "[ . 1 . 2]" 1
2149 2 12 THR MG 2 13 ALA MB . . 3.440 3.348 2.866 3.488 0.048 15 0 "[ . 1 . 2]" 1
2150 2 53 LEU HB2 2 53 LEU QD . . 3.250 2.243 2.127 2.332 . 0 0 "[ . 1 . 2]" 1
2151 2 53 LEU QD 2 110 ALA MB . . 3.200 2.225 1.978 2.542 . 0 0 "[ . 1 . 2]" 1
2152 2 67 VAL MG1 2 110 ALA MB . . 2.760 1.996 1.908 2.192 . 0 0 "[ . 1 . 2]" 1
2153 2 56 LEU MD1 2 110 ALA MB . . 4.860 4.309 4.017 4.528 . 0 0 "[ . 1 . 2]" 1
2154 2 66 ILE MG 2 67 VAL MG1 . . 5.290 4.200 4.100 4.372 . 0 0 "[ . 1 . 2]" 1
2155 2 66 ILE MG 2 110 ALA MB . . 5.430 4.558 4.297 4.831 . 0 0 "[ . 1 . 2]" 1
2156 2 66 ILE MG 2 113 LEU MD1 . . 5.340 4.898 4.174 5.392 0.052 3 0 "[ . 1 . 2]" 1
2157 2 27 ILE MG 2 31 ILE HB . . 5.500 4.079 3.975 4.172 . 0 0 "[ . 1 . 2]" 1
2158 2 27 ILE MG 2 31 ILE HG12 . . 4.140 3.466 3.331 3.580 . 0 0 "[ . 1 . 2]" 1
2159 2 31 ILE HB 2 31 ILE MD . . 3.440 2.466 2.378 2.538 . 0 0 "[ . 1 . 2]" 1
2160 2 24 LYS HG3 2 27 ILE MD . . 3.870 3.487 3.183 3.719 . 0 0 "[ . 1 . 2]" 1
2161 2 26 ALA MB 2 48 VAL MG1 . . 3.660 2.121 1.986 2.199 . 0 0 "[ . 1 . 2]" 1
2162 2 27 ILE HG13 2 48 VAL MG1 . . 2.580 2.063 2.012 2.097 . 0 0 "[ . 1 . 2]" 1
2163 2 22 ILE HB 2 22 ILE MD . . 3.010 2.501 2.411 2.574 . 0 0 "[ . 1 . 2]" 1
2164 2 70 VAL HB 2 81 THR MG . . 5.410 4.596 3.083 5.435 0.025 12 0 "[ . 1 . 2]" 1
2165 1 81 THR MG 2 70 VAL HB . . 5.500 4.463 2.898 5.288 . 0 0 "[ . 1 . 2]" 1
2166 2 102 LYS HB3 2 103 THR MG . . 3.270 3.120 2.687 3.288 0.018 8 0 "[ . 1 . 2]" 1
2167 2 28 GLU HB2 2 31 ILE MD . . 5.410 4.648 4.493 4.806 . 0 0 "[ . 1 . 2]" 1
2168 2 26 ALA MB 2 27 ILE MG . . 5.360 5.178 5.129 5.229 . 0 0 "[ . 1 . 2]" 1
2169 2 132 ILE HB 2 132 ILE MD . . 3.260 3.282 3.270 3.293 0.033 2 0 "[ . 1 . 2]" 1
2170 2 107 ILE HG12 2 107 ILE MG . . 2.620 2.186 2.145 2.245 . 0 0 "[ . 1 . 2]" 1
2171 2 28 GLU HB3 2 31 ILE HB . . 4.060 4.004 3.863 4.114 0.054 17 0 "[ . 1 . 2]" 1
2172 2 107 ILE HB 2 107 ILE MD . . 2.580 2.233 2.207 2.292 . 0 0 "[ . 1 . 2]" 1
2173 2 26 ALA MB 2 52 THR MG . . 3.300 2.393 1.999 2.952 . 0 0 "[ . 1 . 2]" 1
2174 2 30 ALA MB 2 48 VAL MG2 . . 2.950 2.232 2.077 2.521 . 0 0 "[ . 1 . 2]" 1
2175 2 27 ILE HG12 2 48 VAL MG1 . . 3.380 2.899 2.703 3.158 . 0 0 "[ . 1 . 2]" 1
2176 2 53 LEU QD 2 56 LEU MD2 . . 3.240 2.222 1.977 3.438 0.198 18 0 "[ . 1 . 2]" 1
2177 2 27 ILE HG12 2 48 VAL MG2 . . 2.870 2.487 2.242 2.627 . 0 0 "[ . 1 . 2]" 1
2178 2 23 VAL MG1 2 27 ILE MD . . 3.060 3.116 3.088 3.143 0.083 15 0 "[ . 1 . 2]" 1
2179 2 23 VAL MG2 2 27 ILE MD . . 3.060 2.045 1.991 2.128 . 0 0 "[ . 1 . 2]" 1
2180 2 52 THR MG 2 53 LEU HA . . 4.770 3.374 3.150 3.522 . 0 0 "[ . 1 . 2]" 1
2181 2 21 ASN H 2 22 ILE HG13 . . 5.500 3.656 3.526 3.804 . 0 0 "[ . 1 . 2]" 1
2182 2 124 PRO QG 2 125 ILE H . . 4.990 4.279 3.905 4.564 . 0 0 "[ . 1 . 2]" 1
2183 2 24 LYS QE 2 99 TRP HZ2 . . 5.040 4.529 4.235 4.791 . 0 0 "[ . 1 . 2]" 1
2184 2 140 ARG HB2 2 140 ARG QD . . 3.640 2.653 2.170 3.388 . 0 0 "[ . 1 . 2]" 1
2185 2 25 GLU HA 2 29 SER H . . 5.290 4.074 3.931 4.403 . 0 0 "[ . 1 . 2]" 1
2186 2 26 ALA HA 2 29 SER H . . 5.450 3.558 3.425 3.722 . 0 0 "[ . 1 . 2]" 1
2187 2 25 GLU HA 2 25 GLU HB3 . . 2.700 2.474 2.462 2.510 . 0 0 "[ . 1 . 2]" 1
2188 2 125 ILE HA 2 126 LYS H . . 2.400 2.204 2.075 2.401 0.001 17 0 "[ . 1 . 2]" 1
2189 1 84 SER H 2 68 THR HA . . 3.790 3.441 2.999 3.829 0.039 8 0 "[ . 1 . 2]" 1
2190 2 48 VAL HB 2 49 VAL H . . 2.400 2.244 2.161 2.373 . 0 0 "[ . 1 . 2]" 1
2191 2 34 ASN H 2 34 ASN HB2 . . 3.620 2.393 2.085 3.055 . 0 0 "[ . 1 . 2]" 1
2192 2 49 VAL H 2 49 VAL HB . . 3.930 2.476 2.420 2.537 . 0 0 "[ . 1 . 2]" 1
2193 2 102 LYS H 2 102 LYS HB2 . . 2.400 2.110 1.976 2.308 . 0 0 "[ . 1 . 2]" 1
2194 2 96 THR H 2 96 THR MG . . 2.400 2.300 1.990 2.488 0.088 1 0 "[ . 1 . 2]" 1
2195 2 53 LEU HB3 2 53 LEU HG . . 2.650 2.377 2.311 2.657 0.007 7 0 "[ . 1 . 2]" 1
2196 2 53 LEU HB3 2 53 LEU QD . . 2.780 2.412 2.130 2.514 . 0 0 "[ . 1 . 2]" 1
2197 2 134 GLN HG2 2 135 VAL H . . 3.690 2.178 2.081 2.264 . 0 0 "[ . 1 . 2]" 1
2198 1 81 THR MG 2 70 VAL HA . . 4.840 3.324 2.316 3.749 . 0 0 "[ . 1 . 2]" 1
2199 2 27 ILE MG 2 48 VAL MG2 . . 3.660 3.062 2.867 3.263 . 0 0 "[ . 1 . 2]" 1
2200 2 97 VAL MG1 2 98 ARG H . . 4.170 2.547 2.078 3.268 . 0 0 "[ . 1 . 2]" 1
2201 2 102 LYS HB3 2 103 THR H . . 2.550 2.545 2.409 2.635 0.085 12 0 "[ . 1 . 2]" 1
2202 2 44 TRP H 2 44 TRP HE3 . . 4.730 4.499 4.453 4.582 . 0 0 "[ . 1 . 2]" 1
2203 2 115 ILE H 2 115 ILE MD . . 3.150 2.488 1.669 3.410 0.260 8 0 "[ . 1 . 2]" 1
2204 2 55 GLN H 2 55 GLN HB3 . . 2.400 2.165 2.138 2.206 . 0 0 "[ . 1 . 2]" 1
2205 1 3 MET H 1 3 MET QB . . 3.520 2.394 2.048 2.637 . 0 0 "[ . 1 . 2]" 1
2206 1 3 MET HA 1 3 MET QG . . 3.330 2.595 2.166 3.366 0.036 1 0 "[ . 1 . 2]" 1
2207 1 3 MET QB 1 3 MET QG . . 2.270 2.058 1.988 2.116 . 0 0 "[ . 1 . 2]" 1
2208 1 3 MET QB 1 4 GLU HA . . 4.360 4.136 3.894 4.446 0.086 1 0 "[ . 1 . 2]" 1
2209 1 5 ASP H 1 5 ASP QB . . 3.640 2.307 2.066 2.569 . 0 0 "[ . 1 . 2]" 1
2210 1 5 ASP QB 1 6 TYR H . . 3.350 3.081 2.814 3.455 0.105 11 0 "[ . 1 . 2]" 1
2211 1 5 ASP QB 1 6 TYR QE . . 5.230 4.509 2.921 5.320 0.090 11 0 "[ . 1 . 2]" 1
2212 1 6 TYR H 1 6 TYR QB . . 3.060 2.508 2.182 3.010 . 0 0 "[ . 1 . 2]" 1
2213 1 6 TYR QB 1 7 GLN H . . 3.040 2.611 1.930 3.112 0.072 11 0 "[ . 1 . 2]" 1
2214 1 7 GLN H 1 7 GLN QB . . 3.070 2.664 2.069 2.837 . 0 0 "[ . 1 . 2]" 1
2215 1 7 GLN QB 1 7 GLN QG . . 2.290 2.095 2.035 2.126 . 0 0 "[ . 1 . 2]" 1
2216 1 7 GLN QB 1 8 ALA H . . 4.200 3.122 2.413 3.720 . 0 0 "[ . 1 . 2]" 1
2217 1 10 GLU H 1 10 GLU QB . . 2.530 2.349 2.100 2.532 0.002 2 0 "[ . 1 . 2]" 1
2218 1 11 GLU H 1 11 GLU QB . . 2.900 2.503 2.385 2.723 . 0 0 "[ . 1 . 2]" 1
2219 1 11 GLU QB 1 11 GLU QG . . 2.420 2.110 2.024 2.129 . 0 0 "[ . 1 . 2]" 1
2220 1 11 GLU QB 1 12 THR H . . 3.630 3.609 2.572 3.730 0.100 16 0 "[ . 1 . 2]" 1
2221 1 14 PHE H 1 14 PHE QB . . 3.260 2.646 2.167 3.129 . 0 0 "[ . 1 . 2]" 1
2222 1 14 PHE HA 1 15 VAL QG . . 4.330 3.675 3.499 3.886 . 0 0 "[ . 1 . 2]" 1
2223 1 14 PHE QB 1 15 VAL QG . . 5.280 4.167 3.751 4.377 . 0 0 "[ . 1 . 2]" 1
2224 1 14 PHE QB 1 19 VAL H . . 4.530 4.449 3.926 4.586 0.056 15 0 "[ . 1 . 2]" 1
2225 1 14 PHE QB 1 19 VAL QG . . 4.090 3.196 2.718 4.172 0.082 20 0 "[ . 1 . 2]" 1
2226 1 14 PHE QB 1 59 LEU H . . 5.340 5.379 5.139 5.510 0.170 19 0 "[ . 1 . 2]" 1
2227 1 14 PHE QB 1 60 GLY QA . . 4.080 2.473 2.049 3.331 . 0 0 "[ . 1 . 2]" 1
2228 1 14 PHE QB 1 61 LYS H . . 4.610 4.453 3.688 4.707 0.097 13 0 "[ . 1 . 2]" 1
2229 1 14 PHE QD 1 19 VAL QG . . 5.440 2.332 1.997 5.318 . 0 0 "[ . 1 . 2]" 1
2230 1 15 VAL H 1 15 VAL QG . . 2.620 2.377 2.026 2.562 . 0 0 "[ . 1 . 2]" 1
2231 1 15 VAL H 1 18 GLU QB . . 3.080 2.703 2.327 3.113 0.033 3 0 "[ . 1 . 2]" 1
2232 1 15 VAL HA 1 16 VAL QG . . 4.220 3.643 3.458 4.159 . 0 0 "[ . 1 . 2]" 1
2233 1 15 VAL QG 1 16 VAL H . . 2.400 2.163 2.016 2.410 0.010 10 0 "[ . 1 . 2]" 1
2234 1 15 VAL QG 1 16 VAL QG . . 3.400 3.023 2.212 3.442 0.042 7 0 "[ . 1 . 2]" 1
2235 1 15 VAL QG 1 17 ASP QB . . 3.400 2.270 2.144 2.408 . 0 0 "[ . 1 . 2]" 1
2236 1 15 VAL QG 1 18 GLU H . . 3.800 2.198 1.811 2.893 . 0 0 "[ . 1 . 2]" 1
2237 1 15 VAL QG 1 18 GLU QB . . 3.210 2.507 2.002 3.614 0.404 15 0 "[ . 1 . 2]" 1
2238 1 16 VAL H 1 16 VAL QG . . 3.030 2.077 1.870 2.300 . 0 0 "[ . 1 . 2]" 1
2239 1 16 VAL H 1 19 VAL QG . . 5.010 4.349 3.856 4.801 . 0 0 "[ . 1 . 2]" 1
2240 1 16 VAL HA 1 19 VAL QG . . 3.530 2.843 1.859 3.305 . 0 0 "[ . 1 . 2]" 1
2241 1 16 VAL QG 1 17 ASP H . . 3.830 2.991 2.159 3.368 . 0 0 "[ . 1 . 2]" 1
2242 1 16 VAL QG 1 17 ASP QB . . 4.370 3.870 3.015 4.344 . 0 0 "[ . 1 . 2]" 1
2243 1 16 VAL QG 1 18 GLU H . . 4.900 4.351 4.080 4.545 . 0 0 "[ . 1 . 2]" 1
2244 1 16 VAL QG 1 19 VAL H . . 4.980 4.514 4.343 4.707 . 0 0 "[ . 1 . 2]" 1
2245 1 16 VAL QG 1 20 SER H . . 5.440 3.683 3.340 3.932 . 0 0 "[ . 1 . 2]" 1
2246 1 16 VAL QG 1 87 TRP HZ3 . . 4.070 2.601 1.927 3.806 . 0 0 "[ . 1 . 2]" 1
2247 1 16 VAL QG 1 94 SER H . . 5.180 2.708 2.094 3.757 . 0 0 "[ . 1 . 2]" 1
2248 1 16 VAL QG 1 95 CYS QB . . 3.120 2.399 1.998 2.952 . 0 0 "[ . 1 . 2]" 1
2249 1 16 VAL QG 1 96 THR H . . 5.440 3.966 3.295 4.352 . 0 0 "[ . 1 . 2]" 1
2250 1 17 ASP H 1 17 ASP QB . . 2.850 2.168 2.029 2.204 . 0 0 "[ . 1 . 2]" 1
2251 1 17 ASP H 1 18 GLU QB . . 5.340 4.718 4.503 5.253 . 0 0 "[ . 1 . 2]" 1
2252 1 17 ASP QB 1 18 GLU H . . 3.860 3.003 2.798 3.707 . 0 0 "[ . 1 . 2]" 1
2253 1 18 GLU H 1 18 GLU QB . . 2.960 2.417 2.236 2.777 . 0 0 "[ . 1 . 2]" 1
2254 1 18 GLU H 1 19 VAL QG . . 5.440 3.777 2.704 4.197 . 0 0 "[ . 1 . 2]" 1
2255 1 18 GLU HA 1 18 GLU QB . . 2.590 2.310 2.208 2.410 . 0 0 "[ . 1 . 2]" 1
2256 1 18 GLU QB 1 19 VAL H . . 2.390 2.331 2.127 2.422 0.032 20 0 "[ . 1 . 2]" 1
2257 1 18 GLU QB 1 19 VAL QG . . 3.460 3.235 2.900 3.798 0.338 20 0 "[ . 1 . 2]" 1
2258 1 18 GLU QB 1 20 SER H . . 4.720 4.733 4.595 4.774 0.054 10 0 "[ . 1 . 2]" 1
2259 1 18 GLU QG 1 19 VAL QG . . 4.860 3.666 3.060 4.330 . 0 0 "[ . 1 . 2]" 1
2260 1 19 VAL H 1 19 VAL QG . . 3.540 2.030 1.897 2.217 . 0 0 "[ . 1 . 2]" 1
2261 1 19 VAL H 1 56 LEU QD . . 5.440 4.698 4.262 5.102 . 0 0 "[ . 1 . 2]" 1
2262 1 19 VAL HA 1 56 LEU QD . . 3.530 2.960 2.671 3.404 . 0 0 "[ . 1 . 2]" 1
2263 1 19 VAL QG 1 20 SER HA . . 5.440 3.555 3.197 3.802 . 0 0 "[ . 1 . 2]" 1
2264 1 19 VAL QG 1 20 SER QB . . 5.360 3.931 2.980 4.614 . 0 0 "[ . 1 . 2]" 1
2265 1 19 VAL QG 1 22 ILE H . . 4.690 4.327 4.236 4.435 . 0 0 "[ . 1 . 2]" 1
2266 1 19 VAL QG 1 22 ILE HB . . 3.310 3.420 3.193 3.754 0.444 13 0 "[ . 1 . 2]" 1
2267 1 19 VAL QG 1 22 ILE MD . . 4.020 2.740 2.357 3.624 . 0 0 "[ . 1 . 2]" 1
2268 1 19 VAL QG 1 56 LEU QD . . 3.110 1.778 1.727 1.939 . 0 0 "[ . 1 . 2]" 1
2269 1 19 VAL QG 1 95 CYS QB . . 3.760 2.315 2.098 2.541 . 0 0 "[ . 1 . 2]" 1
2270 1 19 VAL QG 1 110 ALA MB . . 4.500 3.794 3.415 4.260 . 0 0 "[ . 1 . 2]" 1
2271 1 20 SER H 1 97 VAL QG . . 5.440 5.448 5.215 5.579 0.139 7 0 "[ . 1 . 2]" 1
2272 1 20 SER QB 1 97 VAL QG . . 5.440 4.440 4.271 4.713 . 0 0 "[ . 1 . 2]" 1
2273 1 21 ASN HA 1 23 VAL QG . . 4.330 3.585 3.386 3.933 . 0 0 "[ . 1 . 2]" 1
2274 1 22 ILE H 1 23 VAL QG . . 5.440 4.220 4.106 4.291 . 0 0 "[ . 1 . 2]" 1
2275 1 22 ILE HB 1 56 LEU QD . . 3.880 2.780 2.556 3.136 . 0 0 "[ . 1 . 2]" 1
2276 1 22 ILE MG 1 56 LEU QB . . 4.930 2.471 2.275 2.953 . 0 0 "[ . 1 . 2]" 1
2277 1 22 ILE MD 1 56 LEU QD . . 3.270 2.695 2.353 3.059 . 0 0 "[ . 1 . 2]" 1
2278 1 23 VAL H 1 23 VAL QG . . 2.490 2.308 2.229 2.375 . 0 0 "[ . 1 . 2]" 1
2279 1 23 VAL H 1 97 VAL QG . . 4.730 4.452 4.329 4.619 . 0 0 "[ . 1 . 2]" 1
2280 1 23 VAL HA 1 23 VAL QG . . 2.810 2.171 2.134 2.200 . 0 0 "[ . 1 . 2]" 1
2281 1 23 VAL HB 1 97 VAL QG . . 3.060 2.956 2.756 3.106 0.046 11 0 "[ . 1 . 2]" 1
2282 1 23 VAL QG 1 24 LYS H . . 4.070 2.240 2.179 2.325 . 0 0 "[ . 1 . 2]" 1
2283 1 23 VAL QG 1 24 LYS HA . . 4.180 3.253 3.207 3.302 . 0 0 "[ . 1 . 2]" 1
2284 1 23 VAL QG 1 24 LYS HG3 . . 3.100 3.056 2.862 3.197 0.097 4 0 "[ . 1 . 2]" 1
2285 1 23 VAL QG 1 24 LYS QD . . 3.270 2.601 2.268 3.215 . 0 0 "[ . 1 . 2]" 1
2286 1 23 VAL QG 1 24 LYS QE . . 3.630 2.027 1.964 2.084 . 0 0 "[ . 1 . 2]" 1
2287 1 23 VAL QG 1 27 ILE H . . 5.440 3.883 3.787 3.977 . 0 0 "[ . 1 . 2]" 1
2288 1 23 VAL QG 1 27 ILE MD . . 2.570 2.015 1.960 2.101 . 0 0 "[ . 1 . 2]" 1
2289 1 23 VAL QG 1 97 VAL H . . 5.440 4.964 4.858 5.099 . 0 0 "[ . 1 . 2]" 1
2290 1 23 VAL QG 1 97 VAL HA . . 5.440 4.055 3.744 4.270 . 0 0 "[ . 1 . 2]" 1
2291 1 23 VAL QG 1 97 VAL QG . . 2.820 1.699 1.637 1.756 . 0 0 "[ . 1 . 2]" 1
2292 1 23 VAL QG 1 99 TRP HZ2 . . 4.640 4.253 3.920 4.585 . 0 0 "[ . 1 . 2]" 1
2293 1 24 LYS HA 1 28 GLU QG . . 4.620 3.730 3.473 3.955 . 0 0 "[ . 1 . 2]" 1
2294 1 25 GLU HA 1 28 GLU QG . . 4.920 3.845 3.381 4.301 . 0 0 "[ . 1 . 2]" 1
2295 1 27 ILE HB 1 28 GLU QG . . 3.600 3.381 3.240 3.503 . 0 0 "[ . 1 . 2]" 1
2296 1 27 ILE MG 1 28 GLU QG . . 4.130 3.002 2.888 3.072 . 0 0 "[ . 1 . 2]" 1
2297 1 28 GLU H 1 28 GLU QG . . 3.110 2.273 2.157 2.343 . 0 0 "[ . 1 . 2]" 1
2298 1 28 GLU HA 1 28 GLU QG . . 3.300 2.403 2.309 2.585 . 0 0 "[ . 1 . 2]" 1
2299 1 28 GLU QG 1 99 TRP HZ2 . . 4.560 3.927 3.557 4.490 . 0 0 "[ . 1 . 2]" 1
2300 1 28 GLU QG 1 99 TRP HH2 . . 3.810 3.120 2.702 3.695 . 0 0 "[ . 1 . 2]" 1
2301 1 34 ASN QB 1 35 ALA H . . 3.980 2.579 2.053 3.176 . 0 0 "[ . 1 . 2]" 1
2302 1 34 ASN QB 1 35 ALA MB . . 4.640 3.969 3.434 4.607 . 0 0 "[ . 1 . 2]" 1
2303 1 34 ASN QB 1 44 TRP HZ2 . . 5.340 3.997 3.512 5.339 . 0 0 "[ . 1 . 2]" 1
2304 1 35 ALA MB 1 36 TYR QB . . 5.270 3.980 3.495 5.018 . 0 0 "[ . 1 . 2]" 1
2305 1 37 GLN H 1 37 GLN QB . . 3.300 2.623 2.136 2.985 . 0 0 "[ . 1 . 2]" 1
2306 1 37 GLN HA 1 37 GLN QG . . 3.050 2.712 2.420 3.088 0.038 4 0 "[ . 1 . 2]" 1
2307 1 37 GLN QB 1 40 LYS H . . 5.030 2.932 2.291 3.539 . 0 0 "[ . 1 . 2]" 1
2308 1 37 GLN QB 1 40 LYS HA . . 5.050 4.443 4.232 5.002 . 0 0 "[ . 1 . 2]" 1
2309 1 37 GLN QB 1 40 LYS QB . . 3.610 2.133 1.995 2.395 . 0 0 "[ . 1 . 2]" 1
2310 1 37 GLN QB 1 40 LYS QG . . 3.520 2.764 2.053 3.580 0.060 12 0 "[ . 1 . 2]" 1
2311 1 37 GLN QG 1 38 HIS H . . 4.470 3.714 2.230 4.511 0.041 17 0 "[ . 1 . 2]" 1
2312 1 37 GLN QG 1 40 LYS QB . . 5.340 2.832 2.076 4.222 . 0 0 "[ . 1 . 2]" 1
2313 1 37 GLN QG 1 44 TRP HZ3 . . 5.340 4.190 3.079 5.446 0.106 17 0 "[ . 1 . 2]" 1
2314 1 37 GLN QG 1 44 TRP HZ2 . . 5.340 4.016 2.523 5.302 . 0 0 "[ . 1 . 2]" 1
2315 1 39 SER QB 1 41 VAL H . . 5.340 5.007 4.817 5.207 . 0 0 "[ . 1 . 2]" 1
2316 1 39 SER QB 1 41 VAL QG . . 5.280 5.430 3.944 5.710 0.430 2 0 "[ . 1 . 2]" 1
2317 1 40 LYS H 1 41 VAL QG . . 4.070 4.116 3.870 4.423 0.353 3 0 "[ . 1 . 2]" 1
2318 1 40 LYS HA 1 40 LYS QD . . 3.120 2.190 2.063 2.792 . 0 0 "[ . 1 . 2]" 1
2319 1 40 LYS QD 1 41 VAL H . . 5.140 4.759 4.310 5.119 . 0 0 "[ . 1 . 2]" 1
2320 1 40 LYS QD 1 43 GLN QG . . 5.340 2.429 2.049 3.262 . 0 0 "[ . 1 . 2]" 1
2321 1 40 LYS QD 1 44 TRP HD1 . . 4.630 4.167 3.814 4.671 0.041 17 0 "[ . 1 . 2]" 1
2322 1 40 LYS QD 1 44 TRP HE1 . . 3.920 3.005 2.524 3.750 . 0 0 "[ . 1 . 2]" 1
2323 1 40 LYS QD 1 44 TRP HZ2 . . 4.210 3.367 2.416 4.232 0.022 17 0 "[ . 1 . 2]" 1
2324 1 41 VAL H 1 41 VAL QG . . 3.460 2.053 1.891 2.623 . 0 0 "[ . 1 . 2]" 1
2325 1 41 VAL H 1 42 ASN QB . . 5.100 4.751 4.535 5.043 . 0 0 "[ . 1 . 2]" 1
2326 1 41 VAL HA 1 41 VAL QG . . 2.900 2.137 2.098 2.294 . 0 0 "[ . 1 . 2]" 1
2327 1 41 VAL QG 1 42 ASN H . . 3.990 3.356 2.433 3.552 . 0 0 "[ . 1 . 2]" 1
2328 1 41 VAL QG 1 44 TRP HB2 . . 4.720 3.323 3.076 3.513 . 0 0 "[ . 1 . 2]" 1
2329 1 41 VAL QG 1 44 TRP HE3 . . 3.360 2.469 2.225 3.193 . 0 0 "[ . 1 . 2]" 1
2330 1 41 VAL QG 1 45 THR H . . 4.390 3.526 3.375 3.756 . 0 0 "[ . 1 . 2]" 1
2331 1 41 VAL QG 1 99 TRP HB2 . . 3.610 3.255 2.860 3.590 . 0 0 "[ . 1 . 2]" 1
2332 1 41 VAL QG 1 99 TRP HZ3 . . 4.140 3.049 2.789 3.483 . 0 0 "[ . 1 . 2]" 1
2333 1 41 VAL QG 1 100 GLU H . . 5.440 4.579 3.236 5.261 . 0 0 "[ . 1 . 2]" 1
2334 1 42 ASN H 1 42 ASN QB . . 3.280 2.305 2.156 2.539 . 0 0 "[ . 1 . 2]" 1
2335 1 42 ASN QB 1 43 GLN H . . 3.870 2.540 2.456 2.642 . 0 0 "[ . 1 . 2]" 1
2336 1 42 ASN QB 1 44 TRP H . . 4.520 4.523 4.431 4.562 0.042 10 0 "[ . 1 . 2]" 1
2337 1 42 ASN QB 1 45 THR MG . . 4.400 3.951 3.756 4.133 . 0 0 "[ . 1 . 2]" 1
2338 1 45 THR HA 1 49 VAL QG . . 3.480 3.181 2.982 3.478 . 0 0 "[ . 1 . 2]" 1
2339 1 46 THR H 1 49 VAL QG . . 4.960 4.920 4.844 5.014 0.054 7 0 "[ . 1 . 2]" 1
2340 1 46 THR HA 1 49 VAL QG . . 4.610 3.804 3.713 3.871 . 0 0 "[ . 1 . 2]" 1
2341 1 49 VAL H 1 49 VAL QG . . 3.170 2.061 2.022 2.124 . 0 0 "[ . 1 . 2]" 1
2342 1 49 VAL QG 1 50 GLU H . . 3.720 3.465 3.444 3.493 . 0 0 "[ . 1 . 2]" 1
2343 1 49 VAL QG 1 52 THR HB . . 4.400 3.558 3.472 3.672 . 0 0 "[ . 1 . 2]" 1
2344 1 49 VAL QG 1 53 LEU H . . 3.470 3.379 3.324 3.429 . 0 0 "[ . 1 . 2]" 1
2345 1 49 VAL QG 1 53 LEU HA . . 5.440 4.165 4.088 4.324 . 0 0 "[ . 1 . 2]" 1
2346 1 50 GLU HA 1 51 GLN QG . . 5.340 4.769 4.626 5.104 . 0 0 "[ . 1 . 2]" 1
2347 1 51 GLN HA 1 51 GLN QG . . 3.390 2.514 2.341 3.146 . 0 0 "[ . 1 . 2]" 1
2348 1 51 GLN HB2 1 51 GLN QG . . 2.420 2.318 2.183 2.368 . 0 0 "[ . 1 . 2]" 1
2349 1 51 GLN HB3 1 51 GLN QG . . 2.420 2.407 2.320 2.437 0.017 5 0 "[ . 1 . 2]" 1
2350 1 53 LEU HA 1 56 LEU QD . . 3.690 2.118 1.986 2.222 . 0 0 "[ . 1 . 2]" 1
2351 1 53 LEU HB2 1 56 LEU QD . . 4.410 3.698 3.479 3.867 . 0 0 "[ . 1 . 2]" 1
2352 1 53 LEU QD 1 56 LEU QD . . 2.480 1.893 1.780 2.086 . 0 0 "[ . 1 . 2]" 1
2353 1 53 LEU QD 1 65 TYR QB . . 3.580 2.280 1.919 2.598 . 0 0 "[ . 1 . 2]" 1
2354 1 55 GLN H 1 56 LEU QD . . 5.100 4.436 4.275 4.653 . 0 0 "[ . 1 . 2]" 1
2355 1 56 LEU H 1 56 LEU QB . . 3.600 2.565 2.489 2.638 . 0 0 "[ . 1 . 2]" 1
2356 1 56 LEU H 1 56 LEU QD . . 3.090 2.803 2.710 2.891 . 0 0 "[ . 1 . 2]" 1
2357 1 56 LEU HA 1 56 LEU QD . . 3.870 3.450 3.412 3.480 . 0 0 "[ . 1 . 2]" 1
2358 1 56 LEU HA 1 59 LEU QD . . 3.560 2.394 2.103 3.021 . 0 0 "[ . 1 . 2]" 1
2359 1 56 LEU QB 1 57 THR H . . 3.720 3.630 3.586 3.700 . 0 0 "[ . 1 . 2]" 1
2360 1 56 LEU QB 1 58 LYS H . . 5.330 4.809 4.691 5.050 . 0 0 "[ . 1 . 2]" 1
2361 1 56 LEU QB 1 59 LEU QD . . 4.040 3.140 2.707 3.720 . 0 0 "[ . 1 . 2]" 1
2362 1 56 LEU QD 1 57 THR H . . 4.250 2.710 2.591 2.873 . 0 0 "[ . 1 . 2]" 1
2363 1 56 LEU QD 1 57 THR HA . . 5.440 3.146 2.925 3.365 . 0 0 "[ . 1 . 2]" 1
2364 1 56 LEU QD 1 57 THR MG . . 5.270 4.349 4.216 4.503 . 0 0 "[ . 1 . 2]" 1
2365 1 56 LEU QD 1 58 LYS H . . 5.140 4.559 4.485 4.657 . 0 0 "[ . 1 . 2]" 1
2366 1 56 LEU QD 1 110 ALA MB . . 4.020 3.981 3.619 4.166 0.146 5 0 "[ . 1 . 2]" 1
2367 1 57 THR MG 1 58 LYS QE . . 3.510 3.481 3.196 3.560 0.050 15 0 "[ . 1 . 2]" 1
2368 1 58 LYS H 1 58 LYS QE . . 4.910 4.663 4.399 4.759 . 0 0 "[ . 1 . 2]" 1
2369 1 58 LYS H 1 59 LEU QD . . 5.440 4.748 4.394 5.112 . 0 0 "[ . 1 . 2]" 1
2370 1 58 LYS HA 1 58 LYS QE . . 4.110 3.812 2.800 4.141 0.031 1 0 "[ . 1 . 2]" 1
2371 1 58 LYS HB2 1 58 LYS QE . . 4.490 4.328 3.772 4.520 0.030 15 0 "[ . 1 . 2]" 1
2372 1 58 LYS HB3 1 58 LYS QE . . 3.740 3.417 2.313 3.788 0.048 14 0 "[ . 1 . 2]" 1
2373 1 58 LYS QE 1 58 LYS HG3 . . 3.420 2.527 2.384 2.953 . 0 0 "[ . 1 . 2]" 1
2374 1 58 LYS HD2 1 58 LYS QE . . 2.420 2.169 2.148 2.182 . 0 0 "[ . 1 . 2]" 1
2375 1 58 LYS HD3 1 58 LYS QE . . 2.620 2.357 2.327 2.425 . 0 0 "[ . 1 . 2]" 1
2376 1 59 LEU H 1 59 LEU QD . . 3.720 3.385 3.187 3.652 . 0 0 "[ . 1 . 2]" 1
2377 1 59 LEU HA 1 59 LEU QD . . 2.790 2.148 2.089 2.313 . 0 0 "[ . 1 . 2]" 1
2378 1 59 LEU QB 1 59 LEU QD . . 2.670 1.945 1.929 1.960 . 0 0 "[ . 1 . 2]" 1
2379 1 59 LEU QB 1 60 GLY H . . 3.680 3.048 2.742 3.590 . 0 0 "[ . 1 . 2]" 1
2380 1 63 PHE H 1 63 PHE QB . . 3.280 2.788 2.636 3.242 . 0 0 "[ . 1 . 2]" 1
2381 1 63 PHE QB 1 64 LYS H . . 3.530 2.656 2.074 3.540 0.010 11 0 "[ . 1 . 2]" 1
2382 1 65 TYR H 1 65 TYR QB . . 3.280 2.735 2.253 3.283 0.003 15 0 "[ . 1 . 2]" 1
2383 1 66 ILE H 1 66 ILE QG . . 4.410 4.272 4.196 4.422 0.012 8 0 "[ . 1 . 2]" 1
2384 1 66 ILE HA 1 66 ILE QG . . 2.820 2.347 2.219 2.600 . 0 0 "[ . 1 . 2]" 1
2385 1 66 ILE HB 1 111 PHE QB . . 5.340 4.501 4.273 4.910 . 0 0 "[ . 1 . 2]" 1
2386 1 66 ILE QG 1 67 VAL MG1 . . 5.190 4.581 4.389 4.800 . 0 0 "[ . 1 . 2]" 1
2387 1 66 ILE QG 1 111 PHE QD . . 5.340 4.818 3.890 5.341 0.001 18 0 "[ . 1 . 2]" 1
2388 1 67 VAL MG1 1 111 PHE QB . . 5.340 5.344 4.836 5.418 0.078 8 0 "[ . 1 . 2]" 1
2389 1 68 THR H 1 108 VAL QG . . 4.000 3.432 3.225 3.877 . 0 0 "[ . 1 . 2]" 1
2390 1 68 THR MG 1 109 SER QB . . 5.340 4.347 2.451 5.296 . 0 0 "[ . 1 . 2]" 1
2391 1 68 THR MG 2 83 SER QB . . 4.760 2.809 1.915 4.234 . 0 0 "[ . 1 . 2]" 1
2392 1 69 CYS H 1 69 CYS QB . . 3.640 3.074 2.534 3.300 . 0 0 "[ . 1 . 2]" 1
2393 1 69 CYS H 1 108 VAL QG . . 4.420 4.223 3.936 4.530 0.110 14 0 "[ . 1 . 2]" 1
2394 1 69 CYS QB 1 108 VAL QG . . 4.400 2.100 1.834 2.233 . 0 0 "[ . 1 . 2]" 1
2395 1 69 CYS QB 1 109 SER H . . 3.630 3.652 3.530 3.723 0.093 11 0 "[ . 1 . 2]" 1
2396 1 70 VAL H 1 70 VAL QG . . 2.760 2.723 2.284 2.970 0.210 9 0 "[ . 1 . 2]" 1
2397 1 70 VAL HA 1 70 VAL QG . . 3.110 2.162 2.104 2.336 . 0 0 "[ . 1 . 2]" 1
2398 1 70 VAL QG 1 71 ILE H . . 4.220 2.878 2.342 3.263 . 0 0 "[ . 1 . 2]" 1
2399 1 70 VAL QG 1 71 ILE HA . . 4.810 3.940 3.608 4.171 . 0 0 "[ . 1 . 2]" 1
2400 1 70 VAL QG 1 72 MET H . . 4.020 3.867 3.497 4.166 0.146 17 0 "[ . 1 . 2]" 1
2401 1 70 VAL QG 1 72 MET HA . . 5.440 4.540 3.985 4.965 . 0 0 "[ . 1 . 2]" 1
2402 1 70 VAL QG 1 72 MET QG . . 4.320 3.934 2.971 4.409 0.089 17 0 "[ . 1 . 2]" 1
2403 1 70 VAL QG 1 81 THR HB . . 4.360 3.717 3.192 4.184 . 0 0 "[ . 1 . 2]" 1
2404 1 70 VAL QG 1 81 THR MG . . 3.540 2.655 2.164 3.448 . 0 0 "[ . 1 . 2]" 1
2405 1 70 VAL QG 1 107 ILE H . . 5.440 4.416 3.433 4.913 . 0 0 "[ . 1 . 2]" 1
2406 1 70 VAL QG 1 135 VAL MG1 . . 3.630 3.380 2.680 3.708 0.078 9 0 "[ . 1 . 2]" 1
2407 1 70 VAL QG 1 135 VAL MG2 . . 4.140 3.285 2.631 3.917 . 0 0 "[ . 1 . 2]" 1
2408 1 70 VAL QG 2 81 THR HA . . 4.020 3.303 2.910 3.698 . 0 0 "[ . 1 . 2]" 1
2409 1 70 VAL QG 2 81 THR MG . . 3.860 2.517 1.922 3.526 . 0 0 "[ . 1 . 2]" 1
2410 1 71 ILE HA 1 71 ILE QG . . 3.440 3.316 3.165 3.397 . 0 0 "[ . 1 . 2]" 1
2411 1 71 ILE HB 1 71 ILE QG . . 2.420 2.136 2.116 2.155 . 0 0 "[ . 1 . 2]" 1
2412 1 71 ILE QG 1 71 ILE MG . . 2.810 2.265 2.143 2.356 . 0 0 "[ . 1 . 2]" 1
2413 1 71 ILE MG 1 106 CYS QB . . 3.580 2.324 1.990 3.623 0.043 1 0 "[ . 1 . 2]" 1
2414 1 72 MET HA 1 79 LEU QD . . 5.440 4.564 3.390 5.450 0.010 7 0 "[ . 1 . 2]" 1
2415 1 72 MET QG 1 79 LEU QB . . 5.180 4.548 3.158 5.241 0.061 20 0 "[ . 1 . 2]" 1
2416 1 72 MET QG 1 79 LEU QD . . 4.340 2.703 1.872 4.327 . 0 0 "[ . 1 . 2]" 1
2417 1 73 GLN H 1 73 GLN QB . . 2.750 2.531 2.216 2.940 0.190 12 0 "[ . 1 . 2]" 1
2418 1 78 GLY QA 1 79 LEU QB . . 5.340 4.116 3.531 4.624 . 0 0 "[ . 1 . 2]" 1
2419 1 78 GLY QA 1 79 LEU QD . . 4.790 3.180 2.227 4.289 . 0 0 "[ . 1 . 2]" 1
2420 1 79 LEU H 1 79 LEU QD . . 3.800 2.362 1.803 3.165 . 0 0 "[ . 1 . 2]" 1
2421 1 81 THR HA 2 70 VAL QG . . 4.020 3.232 2.826 3.609 . 0 0 "[ . 1 . 2]" 1
2422 1 81 THR MG 2 70 VAL QG . . 3.860 2.570 1.962 3.434 . 0 0 "[ . 1 . 2]" 1
2423 1 82 ALA MB 1 134 GLN QB . . 4.160 3.338 2.635 3.819 . 0 0 "[ . 1 . 2]" 1
2424 1 83 SER H 1 83 SER QB . . 3.380 2.937 2.606 3.219 . 0 0 "[ . 1 . 2]" 1
2425 1 83 SER H 1 134 GLN QB . . 4.310 4.274 3.706 4.430 0.120 20 0 "[ . 1 . 2]" 1
2426 1 83 SER QB 1 84 SER H . . 4.180 3.101 2.463 3.518 . 0 0 "[ . 1 . 2]" 1
2427 1 83 SER QB 1 133 THR MG . . 5.340 4.068 3.031 4.915 . 0 0 "[ . 1 . 2]" 1
2428 1 83 SER QB 2 68 THR MG . . 4.760 2.606 1.938 4.031 . 0 0 "[ . 1 . 2]" 1
2429 1 84 SER QB 1 132 ILE MG . . 4.730 3.707 3.297 4.167 . 0 0 "[ . 1 . 2]" 1
2430 1 84 SER QB 1 132 ILE MD . . 3.500 2.845 2.205 3.509 0.009 13 0 "[ . 1 . 2]" 1
2431 1 85 CYS QB 1 86 PHE QD . . 4.250 4.052 4.026 4.142 . 0 0 "[ . 1 . 2]" 1
2432 1 86 PHE H 1 86 PHE QB . . 3.350 3.144 2.446 3.369 0.019 20 0 "[ . 1 . 2]" 1
2433 1 87 TRP HE1 1 89 SER QB . . 4.190 3.645 2.697 4.206 0.016 6 0 "[ . 1 . 2]" 1
2434 1 87 TRP HZ2 1 89 SER QB . . 5.060 2.397 2.198 2.793 . 0 0 "[ . 1 . 2]" 1
2435 1 88 ASP H 1 88 ASP QB . . 3.480 2.931 2.677 3.378 . 0 0 "[ . 1 . 2]" 1
2436 1 88 ASP QB 1 89 SER H . . 4.090 2.839 2.458 3.837 . 0 0 "[ . 1 . 2]" 1
2437 1 88 ASP QB 1 90 SER H . . 5.340 4.179 3.672 4.742 . 0 0 "[ . 1 . 2]" 1
2438 1 88 ASP QB 1 91 THR H . . 3.300 3.106 2.629 3.330 0.030 5 0 "[ . 1 . 2]" 1
2439 1 88 ASP QB 1 91 THR HB . . 3.940 2.517 2.148 3.583 . 0 0 "[ . 1 . 2]" 1
2440 1 88 ASP QB 1 91 THR MG . . 4.230 3.893 3.437 4.259 0.029 5 0 "[ . 1 . 2]" 1
2441 1 89 SER H 1 89 SER QB . . 3.640 2.469 2.238 2.962 . 0 0 "[ . 1 . 2]" 1
2442 1 89 SER QB 1 90 SER H . . 3.000 2.378 2.157 3.024 0.024 20 0 "[ . 1 . 2]" 1
2443 1 89 SER QB 1 91 THR H . . 4.990 4.375 4.126 4.906 . 0 0 "[ . 1 . 2]" 1
2444 1 92 ASP H 1 92 ASP QB . . 3.570 2.874 2.763 3.008 . 0 0 "[ . 1 . 2]" 1
2445 1 92 ASP QB 1 93 GLY H . . 2.920 2.148 1.827 2.658 . 0 0 "[ . 1 . 2]" 1
2446 1 92 ASP QB 1 93 GLY QA . . 4.020 3.791 3.606 3.960 . 0 0 "[ . 1 . 2]" 1
2447 1 92 ASP QB 1 113 LEU QD . . 3.610 2.750 2.013 3.674 0.064 18 0 "[ . 1 . 2]" 1
2448 1 93 GLY QA 1 113 LEU QD . . 5.440 4.399 2.376 5.790 0.350 18 0 "[ . 1 . 2]" 1
2449 1 94 SER H 1 95 CYS QB . . 4.750 4.554 4.321 4.783 0.033 12 0 "[ . 1 . 2]" 1
2450 1 94 SER QB 1 95 CYS H . . 3.210 2.752 2.181 3.304 0.094 16 0 "[ . 1 . 2]" 1
2451 1 94 SER QB 1 111 PHE QD . . 5.220 3.045 2.138 4.883 . 0 0 "[ . 1 . 2]" 1
2452 1 95 CYS QB 1 110 ALA MB . . 4.220 2.827 2.257 3.946 . 0 0 "[ . 1 . 2]" 1
2453 1 96 THR HA 1 97 VAL QG . . 3.680 3.005 2.874 3.232 . 0 0 "[ . 1 . 2]" 1
2454 1 96 THR MG 1 109 SER QB . . 5.340 4.388 3.750 4.806 . 0 0 "[ . 1 . 2]" 1
2455 1 97 VAL H 1 97 VAL QG . . 3.330 2.609 2.496 2.782 . 0 0 "[ . 1 . 2]" 1
2456 1 97 VAL H 1 108 VAL QG . . 3.700 2.977 2.613 3.941 0.241 18 0 "[ . 1 . 2]" 1
2457 1 97 VAL HA 1 97 VAL QG . . 3.050 2.141 2.081 2.199 . 0 0 "[ . 1 . 2]" 1
2458 1 97 VAL HA 1 98 ARG QG . . 4.790 3.790 3.429 4.166 . 0 0 "[ . 1 . 2]" 1
2459 1 97 VAL QG 1 98 ARG H . . 2.940 2.560 2.076 3.132 0.192 4 0 "[ . 1 . 2]" 1
2460 1 97 VAL QG 1 98 ARG HA . . 5.010 4.095 3.919 4.324 . 0 0 "[ . 1 . 2]" 1
2461 1 97 VAL QG 1 99 TRP H . . 4.730 4.520 4.052 4.838 0.108 7 0 "[ . 1 . 2]" 1
2462 1 98 ARG H 1 98 ARG QG . . 2.380 2.243 2.040 2.419 0.039 10 0 "[ . 1 . 2]" 1
2463 1 98 ARG H 1 98 ARG QD . . 4.520 3.506 2.521 4.220 . 0 0 "[ . 1 . 2]" 1
2464 1 98 ARG HA 1 98 ARG QG . . 3.700 3.431 3.232 3.502 . 0 0 "[ . 1 . 2]" 1
2465 1 98 ARG HA 1 98 ARG QD . . 4.230 3.960 2.277 4.249 0.019 16 0 "[ . 1 . 2]" 1
2466 1 98 ARG QG 1 99 TRP H . . 5.190 4.496 4.189 4.997 . 0 0 "[ . 1 . 2]" 1
2467 1 100 GLU H 1 100 GLU QB . . 2.860 2.644 2.307 2.962 0.102 19 0 "[ . 1 . 2]" 1
2468 1 100 GLU QB 1 101 ASN H . . 3.430 2.664 2.277 3.478 0.048 6 0 "[ . 1 . 2]" 1
2469 1 101 ASN H 1 101 ASN QB . . 2.950 2.730 2.548 2.957 0.007 16 0 "[ . 1 . 2]" 1
2470 1 101 ASN QB 1 102 LYS H . . 3.990 2.519 2.028 2.982 . 0 0 "[ . 1 . 2]" 1
2471 1 101 ASN QB 1 104 MET H . . 5.160 2.727 2.350 3.374 . 0 0 "[ . 1 . 2]" 1
2472 1 101 ASN QB 1 104 MET QB . . 5.180 3.325 2.105 4.323 . 0 0 "[ . 1 . 2]" 1
2473 1 102 LYS HA 1 102 LYS QG . . 3.090 2.180 1.990 2.344 . 0 0 "[ . 1 . 2]" 1
2474 1 102 LYS HB3 1 102 LYS QG . . 2.620 2.521 2.411 2.584 . 0 0 "[ . 1 . 2]" 1
2475 1 102 LYS QD 1 102 LYS QG . . 2.240 2.072 1.997 2.119 . 0 0 "[ . 1 . 2]" 1
2476 1 102 LYS QE 1 102 LYS QG . . 2.740 2.197 2.028 2.370 . 0 0 "[ . 1 . 2]" 1
2477 1 103 THR MG 1 104 MET QG . . 5.020 3.139 2.170 3.880 . 0 0 "[ . 1 . 2]" 1
2478 1 104 MET H 1 104 MET QB . . 3.600 2.779 2.384 3.245 . 0 0 "[ . 1 . 2]" 1
2479 1 104 MET H 1 104 MET QG . . 3.810 2.498 1.942 3.389 . 0 0 "[ . 1 . 2]" 1
2480 1 104 MET HA 1 104 MET QG . . 3.680 3.069 2.264 3.391 . 0 0 "[ . 1 . 2]" 1
2481 1 104 MET QB 1 104 MET QG . . 2.310 2.099 2.014 2.119 . 0 0 "[ . 1 . 2]" 1
2482 1 105 TYR H 1 105 TYR QB . . 3.280 2.929 2.130 3.289 0.009 15 0 "[ . 1 . 2]" 1
2483 1 106 CYS H 1 106 CYS QB . . 3.300 2.999 2.105 3.217 . 0 0 "[ . 1 . 2]" 1
2484 1 107 ILE MD 1 109 SER QB . . 4.130 3.871 3.001 4.176 0.046 10 0 "[ . 1 . 2]" 1
2485 1 108 VAL H 1 108 VAL QG . . 2.650 2.273 2.106 2.566 . 0 0 "[ . 1 . 2]" 1
2486 1 108 VAL HA 1 108 VAL QG . . 2.870 2.267 2.164 2.358 . 0 0 "[ . 1 . 2]" 1
2487 1 108 VAL QG 1 109 SER H . . 2.970 2.557 2.272 2.937 . 0 0 "[ . 1 . 2]" 1
2488 1 108 VAL QG 1 109 SER HA . . 5.440 3.615 3.443 3.826 . 0 0 "[ . 1 . 2]" 1
2489 1 108 VAL QG 1 109 SER QB . . 5.280 4.156 3.953 4.400 . 0 0 "[ . 1 . 2]" 1
2490 1 108 VAL QG 1 110 ALA H . . 5.180 4.105 3.660 4.551 . 0 0 "[ . 1 . 2]" 1
2491 1 111 PHE QB 1 113 LEU QD . . 3.600 2.630 2.051 3.808 0.208 8 0 "[ . 1 . 2]" 1
2492 1 111 PHE HB3 1 113 LEU MD1 . . 5.870 3.678 2.698 5.742 . 0 0 "[ . 1 . 2]" 1
2493 1 111 PHE QD 1 113 LEU QD . . 3.460 3.335 2.481 3.754 0.294 9 0 "[ . 1 . 2]" 1
2494 1 112 GLY H 1 113 LEU QD . . 4.210 3.036 1.995 4.054 . 0 0 "[ . 1 . 2]" 1
2495 1 112 GLY QA 1 113 LEU QD . . 5.060 3.221 2.636 3.960 . 0 0 "[ . 1 . 2]" 1
2496 1 113 LEU H 1 113 LEU QB . . 3.520 2.577 2.280 3.344 . 0 0 "[ . 1 . 2]" 1
2497 1 113 LEU H 1 113 LEU QD . . 3.760 2.025 1.775 2.502 . 0 0 "[ . 1 . 2]" 1
2498 1 113 LEU QB 1 113 LEU QD . . 2.350 2.078 1.914 2.104 . 0 0 "[ . 1 . 2]" 1
2499 1 113 LEU QB 1 114 SER H . . 4.210 3.156 2.044 4.044 . 0 0 "[ . 1 . 2]" 1
2500 1 113 LEU QB 1 115 ILE H . . 5.330 4.910 4.139 5.444 0.114 8 0 "[ . 1 . 2]" 1
2501 1 113 LEU QD 1 114 SER H . . 4.250 3.540 3.013 4.107 . 0 0 "[ . 1 . 2]" 1
2502 1 114 SER H 1 114 SER QB . . 3.430 2.579 2.133 2.777 . 0 0 "[ . 1 . 2]" 1
2503 1 115 ILE H 1 115 ILE QG . . 3.730 2.629 1.732 3.573 . 0 0 "[ . 1 . 2]" 1
2504 1 115 ILE HA 1 115 ILE QG . . 3.410 3.387 2.492 3.522 0.112 13 0 "[ . 1 . 2]" 1
2505 1 115 ILE QG 1 116 GLY QA . . 5.340 4.141 3.190 5.316 . 0 0 "[ . 1 . 2]" 1
2506 1 119 SER H 1 119 SER QB . . 3.560 2.612 2.221 3.096 . 0 0 "[ . 1 . 2]" 1
2507 1 121 GLN H 1 121 GLN QB . . 3.350 2.458 1.877 3.120 . 0 0 "[ . 1 . 2]" 1
2508 1 121 GLN H 1 121 GLN QG . . 3.390 2.565 2.079 3.445 0.055 9 0 "[ . 1 . 2]" 1
2509 1 121 GLN HA 1 121 GLN QG . . 3.620 2.929 2.202 3.544 . 0 0 "[ . 1 . 2]" 1
2510 1 121 GLN QB 1 122 SER H . . 4.330 2.681 2.045 3.938 . 0 0 "[ . 1 . 2]" 1
2511 1 121 GLN QB 1 122 SER QB . . 4.110 4.030 3.608 4.232 0.122 17 0 "[ . 1 . 2]" 1
2512 1 121 GLN QG 1 122 SER H . . 4.840 3.901 3.013 4.820 . 0 0 "[ . 1 . 2]" 1
2513 1 123 GLY QA 1 124 PRO QD . . 3.070 2.145 2.034 2.311 . 0 0 "[ . 1 . 2]" 1
2514 1 124 PRO QB 1 125 ILE H . . 3.100 2.778 2.402 3.133 0.033 17 0 "[ . 1 . 2]" 1
2515 1 125 ILE H 1 125 ILE QG . . 2.930 2.230 2.045 2.385 . 0 0 "[ . 1 . 2]" 1
2516 1 125 ILE HA 1 125 ILE QG . . 3.520 3.418 3.371 3.498 . 0 0 "[ . 1 . 2]" 1
2517 1 125 ILE QG 1 125 ILE MG . . 3.100 2.225 2.103 2.488 . 0 0 "[ . 1 . 2]" 1
2518 1 125 ILE QG 1 126 LYS H . . 5.340 4.222 3.571 4.592 . 0 0 "[ . 1 . 2]" 1
2519 1 126 LYS H 1 126 LYS QB . . 3.290 2.949 2.078 3.359 0.069 14 0 "[ . 1 . 2]" 1
2520 1 126 LYS H 1 126 LYS QG . . 3.600 3.084 2.524 3.765 0.165 13 0 "[ . 1 . 2]" 1
2521 1 126 LYS HA 1 126 LYS QG . . 3.520 3.209 2.393 3.534 0.014 10 0 "[ . 1 . 2]" 1
2522 1 126 LYS QB 1 126 LYS QG . . 2.320 2.014 1.963 2.047 . 0 0 "[ . 1 . 2]" 1
2523 1 126 LYS QB 1 126 LYS QD . . 3.310 2.690 2.284 3.014 . 0 0 "[ . 1 . 2]" 1
2524 1 126 LYS QB 1 126 LYS QE . . 2.920 2.261 2.019 3.135 0.215 13 0 "[ . 1 . 2]" 1
2525 1 126 LYS QB 1 127 LEU H . . 3.250 2.601 2.191 3.361 0.111 2 0 "[ . 1 . 2]" 1
2526 1 126 LYS QG 1 127 LEU H . . 4.640 3.877 2.858 4.507 . 0 0 "[ . 1 . 2]" 1
2527 1 127 LEU HA 1 127 LEU QD . . 3.010 2.243 1.938 3.013 0.003 7 0 "[ . 1 . 2]" 1
2528 1 127 LEU QB 1 127 LEU HG . . 2.520 2.414 2.129 2.502 . 0 0 "[ . 1 . 2]" 1
2529 1 127 LEU QB 1 127 LEU QD . . 2.610 1.961 1.929 2.089 . 0 0 "[ . 1 . 2]" 1
2530 1 127 LEU QB 1 128 GLY H . . 3.660 2.965 2.160 3.602 . 0 0 "[ . 1 . 2]" 1
2531 1 127 LEU QD 1 128 GLY H . . 4.080 3.228 2.029 3.836 . 0 0 "[ . 1 . 2]" 1
2532 1 132 ILE H 1 132 ILE QG . . 3.400 2.064 1.892 2.540 . 0 0 "[ . 1 . 2]" 1
2533 1 132 ILE HA 1 132 ILE QG . . 3.300 3.139 3.084 3.213 . 0 0 "[ . 1 . 2]" 1
2534 1 132 ILE QG 1 132 ILE MG . . 3.010 2.219 2.134 2.281 . 0 0 "[ . 1 . 2]" 1
2535 1 132 ILE QG 1 133 THR H . . 5.270 4.686 4.598 4.776 . 0 0 "[ . 1 . 2]" 1
2536 1 134 GLN QB 1 134 GLN HG2 . . 2.600 2.478 2.427 2.588 . 0 0 "[ . 1 . 2]" 1
2537 1 136 ASP QB 1 137 PHE H . . 3.910 2.809 2.338 3.855 . 0 0 "[ . 1 . 2]" 1
2538 1 140 ARG HA 1 140 ARG QG . . 3.360 2.413 2.207 2.790 . 0 0 "[ . 1 . 2]" 1
2539 1 140 ARG QB 1 140 ARG QG . . 2.270 2.021 1.971 2.062 . 0 0 "[ . 1 . 2]" 1
2540 1 140 ARG QB 1 140 ARG QD . . 3.040 2.366 2.142 2.596 . 0 0 "[ . 1 . 2]" 1
2541 1 140 ARG QB 1 141 GLU H . . 3.430 2.354 1.924 3.202 . 0 0 "[ . 1 . 2]" 1
2542 1 140 ARG QG 1 141 GLU H . . 3.700 3.312 2.156 3.808 0.108 5 0 "[ . 1 . 2]" 1
2543 1 141 GLU H 1 141 GLU QB . . 2.750 2.373 2.031 2.787 0.037 6 0 "[ . 1 . 2]" 1
2544 1 141 GLU QB 1 142 ILE H . . 3.230 2.767 2.110 3.322 0.092 12 0 "[ . 1 . 2]" 1
2545 1 142 ILE H 1 142 ILE QG . . 2.880 2.792 2.329 2.906 0.026 17 0 "[ . 1 . 2]" 1
2546 1 142 ILE QG 1 142 ILE MG . . 3.160 2.449 2.135 2.667 . 0 0 "[ . 1 . 2]" 1
2547 1 142 ILE QG 1 143 VAL H . . 4.360 3.573 3.256 4.254 . 0 0 "[ . 1 . 2]" 1
2548 2 3 MET H 2 3 MET QB . . 3.520 2.401 2.045 2.675 . 0 0 "[ . 1 . 2]" 1
2549 2 3 MET HA 2 3 MET QG . . 3.330 2.601 2.229 3.365 0.035 15 0 "[ . 1 . 2]" 1
2550 2 3 MET QB 2 3 MET QG . . 2.270 2.057 1.989 2.117 . 0 0 "[ . 1 . 2]" 1
2551 2 3 MET QB 2 4 GLU HA . . 4.360 4.133 3.894 4.443 0.083 1 0 "[ . 1 . 2]" 1
2552 2 5 ASP H 2 5 ASP QB . . 3.640 2.283 2.067 2.483 . 0 0 "[ . 1 . 2]" 1
2553 2 5 ASP QB 2 6 TYR H . . 3.350 3.055 2.812 3.429 0.079 11 0 "[ . 1 . 2]" 1
2554 2 5 ASP QB 2 6 TYR QE . . 5.230 4.490 2.922 5.370 0.140 11 0 "[ . 1 . 2]" 1
2555 2 6 TYR H 2 6 TYR QB . . 3.060 2.464 2.182 3.132 0.072 13 0 "[ . 1 . 2]" 1
2556 2 6 TYR QB 2 7 GLN H . . 3.040 2.668 1.930 3.096 0.056 11 0 "[ . 1 . 2]" 1
2557 2 7 GLN H 2 7 GLN QB . . 3.070 2.679 2.212 2.837 . 0 0 "[ . 1 . 2]" 1
2558 2 7 GLN QB 2 7 GLN QG . . 2.290 2.093 2.036 2.126 . 0 0 "[ . 1 . 2]" 1
2559 2 7 GLN QB 2 8 ALA H . . 4.200 3.187 2.417 3.721 . 0 0 "[ . 1 . 2]" 1
2560 2 10 GLU H 2 10 GLU QB . . 2.530 2.349 2.098 2.532 0.002 3 0 "[ . 1 . 2]" 1
2561 2 11 GLU H 2 11 GLU QB . . 2.900 2.501 2.383 2.728 . 0 0 "[ . 1 . 2]" 1
2562 2 11 GLU QB 2 11 GLU QG . . 2.420 2.110 2.023 2.128 . 0 0 "[ . 1 . 2]" 1
2563 2 11 GLU QB 2 12 THR H . . 3.630 3.611 2.565 3.723 0.093 16 0 "[ . 1 . 2]" 1
2564 2 14 PHE H 2 14 PHE QB . . 3.260 2.561 2.064 3.135 . 0 0 "[ . 1 . 2]" 1
2565 2 14 PHE HA 2 15 VAL QG . . 4.330 3.664 3.485 3.916 . 0 0 "[ . 1 . 2]" 1
2566 2 14 PHE QB 2 15 VAL QG . . 5.280 4.192 3.952 4.396 . 0 0 "[ . 1 . 2]" 1
2567 2 14 PHE QB 2 19 VAL H . . 4.530 4.464 4.056 4.600 0.070 15 0 "[ . 1 . 2]" 1
2568 2 14 PHE QB 2 19 VAL QG . . 4.090 2.978 2.542 3.528 . 0 0 "[ . 1 . 2]" 1
2569 2 14 PHE QB 2 59 LEU H . . 5.340 5.398 5.302 5.512 0.172 10 0 "[ . 1 . 2]" 1
2570 2 14 PHE QB 2 60 GLY QA . . 4.080 2.528 2.110 4.134 0.054 5 0 "[ . 1 . 2]" 1
2571 2 14 PHE QB 2 61 LYS H . . 4.610 4.320 3.402 4.708 0.098 13 0 "[ . 1 . 2]" 1
2572 2 14 PHE QD 2 19 VAL QG . . 5.440 2.627 1.992 4.453 . 0 0 "[ . 1 . 2]" 1
2573 2 15 VAL H 2 15 VAL QG . . 2.620 2.383 2.032 2.909 0.289 4 0 "[ . 1 . 2]" 1
2574 2 15 VAL H 2 18 GLU QB . . 3.080 2.721 2.281 3.102 0.022 6 0 "[ . 1 . 2]" 1
2575 2 15 VAL HA 2 16 VAL QG . . 4.220 3.650 3.439 4.075 . 0 0 "[ . 1 . 2]" 1
2576 2 15 VAL QG 2 16 VAL H . . 2.400 2.183 1.992 2.493 0.093 10 0 "[ . 1 . 2]" 1
2577 2 15 VAL QG 2 16 VAL QG . . 3.400 2.991 2.246 3.519 0.119 4 0 "[ . 1 . 2]" 1
2578 2 15 VAL QG 2 17 ASP QB . . 3.400 2.276 2.169 2.433 . 0 0 "[ . 1 . 2]" 1
2579 2 15 VAL QG 2 18 GLU H . . 3.800 2.200 1.821 2.708 . 0 0 "[ . 1 . 2]" 1
2580 2 15 VAL QG 2 18 GLU QB . . 3.210 2.559 2.029 3.614 0.404 18 0 "[ . 1 . 2]" 1
2581 2 16 VAL H 2 16 VAL QG . . 3.030 2.071 1.914 2.264 . 0 0 "[ . 1 . 2]" 1
2582 2 16 VAL H 2 19 VAL QG . . 5.010 4.402 3.676 4.996 . 0 0 "[ . 1 . 2]" 1
2583 2 16 VAL HA 2 19 VAL QG . . 3.530 2.955 1.839 3.454 . 0 0 "[ . 1 . 2]" 1
2584 2 16 VAL QG 2 17 ASP H . . 3.830 2.948 2.170 3.346 . 0 0 "[ . 1 . 2]" 1
2585 2 16 VAL QG 2 17 ASP QB . . 4.370 3.838 3.024 4.293 . 0 0 "[ . 1 . 2]" 1
2586 2 16 VAL QG 2 18 GLU H . . 4.900 4.360 4.086 4.530 . 0 0 "[ . 1 . 2]" 1
2587 2 16 VAL QG 2 19 VAL H . . 4.980 4.498 4.301 4.618 . 0 0 "[ . 1 . 2]" 1
2588 2 16 VAL QG 2 20 SER H . . 5.440 3.682 3.403 3.867 . 0 0 "[ . 1 . 2]" 1
2589 2 16 VAL QG 2 87 TRP HZ3 . . 4.070 2.636 1.897 3.793 . 0 0 "[ . 1 . 2]" 1
2590 2 16 VAL QG 2 94 SER H . . 5.180 2.712 1.845 3.827 . 0 0 "[ . 1 . 2]" 1
2591 2 16 VAL QG 2 95 CYS QB . . 3.120 2.401 2.025 3.047 . 0 0 "[ . 1 . 2]" 1
2592 2 16 VAL QG 2 96 THR H . . 5.440 3.950 3.351 4.270 . 0 0 "[ . 1 . 2]" 1
2593 2 17 ASP H 2 17 ASP QB . . 2.850 2.163 2.050 2.205 . 0 0 "[ . 1 . 2]" 1
2594 2 17 ASP H 2 18 GLU QB . . 5.340 4.705 4.494 5.239 . 0 0 "[ . 1 . 2]" 1
2595 2 17 ASP QB 2 18 GLU H . . 3.860 2.943 2.753 3.237 . 0 0 "[ . 1 . 2]" 1
2596 2 18 GLU H 2 18 GLU QB . . 2.960 2.379 2.207 2.743 . 0 0 "[ . 1 . 2]" 1
2597 2 18 GLU H 2 19 VAL QG . . 5.440 3.888 3.248 4.168 . 0 0 "[ . 1 . 2]" 1
2598 2 18 GLU HA 2 18 GLU QB . . 2.590 2.316 2.209 2.417 . 0 0 "[ . 1 . 2]" 1
2599 2 18 GLU QB 2 19 VAL H . . 2.390 2.331 2.124 2.427 0.037 4 0 "[ . 1 . 2]" 1
2600 2 18 GLU QB 2 19 VAL QG . . 3.460 3.193 2.870 3.451 . 0 0 "[ . 1 . 2]" 1
2601 2 18 GLU QB 2 20 SER H . . 4.720 4.725 4.606 4.764 0.044 20 0 "[ . 1 . 2]" 1
2602 2 18 GLU QG 2 19 VAL QG . . 4.860 3.568 2.984 4.215 . 0 0 "[ . 1 . 2]" 1
2603 2 19 VAL H 2 19 VAL QG . . 3.540 2.073 1.926 2.235 . 0 0 "[ . 1 . 2]" 1
2604 2 19 VAL H 2 56 LEU QD . . 5.440 4.724 4.282 5.135 . 0 0 "[ . 1 . 2]" 1
2605 2 19 VAL HA 2 56 LEU QD . . 3.530 3.023 2.582 3.787 0.257 18 0 "[ . 1 . 2]" 1
2606 2 19 VAL QG 2 20 SER HA . . 5.440 3.571 3.419 3.816 . 0 0 "[ . 1 . 2]" 1
2607 2 19 VAL QG 2 20 SER QB . . 5.360 3.982 3.237 4.598 . 0 0 "[ . 1 . 2]" 1
2608 2 19 VAL QG 2 22 ILE H . . 4.690 4.317 4.162 4.469 . 0 0 "[ . 1 . 2]" 1
2609 2 19 VAL QG 2 22 ILE HB . . 3.310 3.433 3.005 3.963 0.653 12 1 "[ . 1 + . 2]" 1
2610 2 19 VAL QG 2 22 ILE MD . . 4.020 2.587 2.358 3.110 . 0 0 "[ . 1 . 2]" 1
2611 2 19 VAL QG 2 56 LEU QD . . 3.110 1.790 1.686 2.372 . 0 0 "[ . 1 . 2]" 1
2612 2 19 VAL QG 2 95 CYS QB . . 3.760 2.372 1.887 2.844 . 0 0 "[ . 1 . 2]" 1
2613 2 19 VAL QG 2 110 ALA MB . . 4.500 3.843 3.488 4.606 0.106 12 0 "[ . 1 . 2]" 1
2614 2 20 SER H 2 97 VAL QG . . 5.440 5.456 5.202 5.583 0.143 10 0 "[ . 1 . 2]" 1
2615 2 20 SER QB 2 97 VAL QG . . 5.440 4.429 4.298 4.745 . 0 0 "[ . 1 . 2]" 1
2616 2 21 ASN HA 2 23 VAL QG . . 4.330 3.573 3.412 3.926 . 0 0 "[ . 1 . 2]" 1
2617 2 22 ILE H 2 23 VAL QG . . 5.440 4.218 4.097 4.271 . 0 0 "[ . 1 . 2]" 1
2618 2 22 ILE HB 2 56 LEU QD . . 3.880 2.852 2.459 4.223 0.343 18 0 "[ . 1 . 2]" 1
2619 2 22 ILE MG 2 56 LEU QB . . 4.930 2.464 2.250 3.117 . 0 0 "[ . 1 . 2]" 1
2620 2 22 ILE MD 2 56 LEU QD . . 3.270 2.682 2.189 3.059 . 0 0 "[ . 1 . 2]" 1
2621 2 23 VAL H 2 23 VAL QG . . 2.490 2.304 2.230 2.384 . 0 0 "[ . 1 . 2]" 1
2622 2 23 VAL H 2 97 VAL QG . . 4.730 4.454 4.328 4.603 . 0 0 "[ . 1 . 2]" 1
2623 2 23 VAL HA 2 23 VAL QG . . 2.810 2.174 2.135 2.198 . 0 0 "[ . 1 . 2]" 1
2624 2 23 VAL HB 2 97 VAL QG . . 3.060 2.968 2.785 3.128 0.068 16 0 "[ . 1 . 2]" 1
2625 2 23 VAL QG 2 24 LYS H . . 4.070 2.237 2.181 2.332 . 0 0 "[ . 1 . 2]" 1
2626 2 23 VAL QG 2 24 LYS HA . . 4.180 3.251 3.205 3.296 . 0 0 "[ . 1 . 2]" 1
2627 2 23 VAL QG 2 24 LYS HG3 . . 3.100 3.059 2.886 3.196 0.096 4 0 "[ . 1 . 2]" 1
2628 2 23 VAL QG 2 24 LYS QD . . 3.270 2.567 2.273 3.181 . 0 0 "[ . 1 . 2]" 1
2629 2 23 VAL QG 2 24 LYS QE . . 3.630 2.027 1.960 2.097 . 0 0 "[ . 1 . 2]" 1
2630 2 23 VAL QG 2 27 ILE H . . 5.440 3.885 3.783 3.987 . 0 0 "[ . 1 . 2]" 1
2631 2 23 VAL QG 2 27 ILE MD . . 2.570 2.018 1.970 2.094 . 0 0 "[ . 1 . 2]" 1
2632 2 23 VAL QG 2 97 VAL H . . 5.440 4.965 4.867 5.118 . 0 0 "[ . 1 . 2]" 1
2633 2 23 VAL QG 2 97 VAL HA . . 5.440 4.088 3.727 4.323 . 0 0 "[ . 1 . 2]" 1
2634 2 23 VAL QG 2 97 VAL QG . . 2.820 1.704 1.637 1.760 . 0 0 "[ . 1 . 2]" 1
2635 2 23 VAL QG 2 99 TRP HZ2 . . 4.640 4.248 3.974 4.591 . 0 0 "[ . 1 . 2]" 1
2636 2 24 LYS HA 2 28 GLU QG . . 4.620 3.739 3.516 3.964 . 0 0 "[ . 1 . 2]" 1
2637 2 25 GLU HA 2 28 GLU QG . . 4.920 3.840 3.372 4.298 . 0 0 "[ . 1 . 2]" 1
2638 2 27 ILE HB 2 28 GLU QG . . 3.600 3.386 3.179 3.505 . 0 0 "[ . 1 . 2]" 1
2639 2 27 ILE MG 2 28 GLU QG . . 4.130 3.001 2.869 3.090 . 0 0 "[ . 1 . 2]" 1
2640 2 28 GLU H 2 28 GLU QG . . 3.110 2.272 2.160 2.372 . 0 0 "[ . 1 . 2]" 1
2641 2 28 GLU HA 2 28 GLU QG . . 3.300 2.405 2.310 2.666 . 0 0 "[ . 1 . 2]" 1
2642 2 28 GLU QG 2 99 TRP HZ2 . . 4.560 3.945 3.521 4.522 . 0 0 "[ . 1 . 2]" 1
2643 2 28 GLU QG 2 99 TRP HH2 . . 3.810 3.147 2.725 3.707 . 0 0 "[ . 1 . 2]" 1
2644 2 34 ASN QB 2 35 ALA H . . 3.980 2.587 2.054 3.168 . 0 0 "[ . 1 . 2]" 1
2645 2 34 ASN QB 2 35 ALA MB . . 4.640 3.976 3.425 4.604 . 0 0 "[ . 1 . 2]" 1
2646 2 34 ASN QB 2 44 TRP HZ2 . . 5.340 4.001 3.526 5.273 . 0 0 "[ . 1 . 2]" 1
2647 2 35 ALA MB 2 36 TYR QB . . 5.270 3.959 3.491 5.017 . 0 0 "[ . 1 . 2]" 1
2648 2 37 GLN H 2 37 GLN QB . . 3.300 2.618 2.078 2.978 . 0 0 "[ . 1 . 2]" 1
2649 2 37 GLN HA 2 37 GLN QG . . 3.050 2.714 2.431 3.087 0.037 4 0 "[ . 1 . 2]" 1
2650 2 37 GLN QB 2 40 LYS H . . 5.030 2.921 2.303 3.511 . 0 0 "[ . 1 . 2]" 1
2651 2 37 GLN QB 2 40 LYS HA . . 5.050 4.442 4.235 4.991 . 0 0 "[ . 1 . 2]" 1
2652 2 37 GLN QB 2 40 LYS QB . . 3.610 2.133 1.987 2.389 . 0 0 "[ . 1 . 2]" 1
2653 2 37 GLN QB 2 40 LYS QG . . 3.520 2.763 2.029 3.576 0.056 16 0 "[ . 1 . 2]" 1
2654 2 37 GLN QG 2 38 HIS H . . 4.470 3.726 2.214 4.512 0.042 17 0 "[ . 1 . 2]" 1
2655 2 37 GLN QG 2 40 LYS QB . . 5.340 2.840 2.077 4.226 . 0 0 "[ . 1 . 2]" 1
2656 2 37 GLN QG 2 44 TRP HZ3 . . 5.340 4.187 3.042 5.457 0.117 17 0 "[ . 1 . 2]" 1
2657 2 37 GLN QG 2 44 TRP HZ2 . . 5.340 4.023 2.696 5.313 . 0 0 "[ . 1 . 2]" 1
2658 2 39 SER QB 2 41 VAL H . . 5.340 5.003 4.782 5.214 . 0 0 "[ . 1 . 2]" 1
2659 2 39 SER QB 2 41 VAL QG . . 5.280 5.336 4.587 5.712 0.432 2 0 "[ . 1 . 2]" 1
2660 2 40 LYS H 2 41 VAL QG . . 4.070 4.159 3.911 4.488 0.418 10 0 "[ . 1 . 2]" 1
2661 2 40 LYS HA 2 40 LYS QD . . 3.120 2.192 2.063 2.793 . 0 0 "[ . 1 . 2]" 1
2662 2 40 LYS QD 2 41 VAL H . . 5.140 4.756 4.307 5.117 . 0 0 "[ . 1 . 2]" 1
2663 2 40 LYS QD 2 43 GLN QG . . 5.340 2.426 2.066 3.245 . 0 0 "[ . 1 . 2]" 1
2664 2 40 LYS QD 2 44 TRP HD1 . . 4.630 4.177 3.807 4.681 0.051 17 0 "[ . 1 . 2]" 1
2665 2 40 LYS QD 2 44 TRP HE1 . . 3.920 3.021 2.522 3.751 . 0 0 "[ . 1 . 2]" 1
2666 2 40 LYS QD 2 44 TRP HZ2 . . 4.210 3.376 2.443 4.227 0.017 17 0 "[ . 1 . 2]" 1
2667 2 41 VAL H 2 41 VAL QG . . 3.460 2.121 1.904 2.698 . 0 0 "[ . 1 . 2]" 1
2668 2 41 VAL H 2 42 ASN QB . . 5.100 4.754 4.534 5.044 . 0 0 "[ . 1 . 2]" 1
2669 2 41 VAL HA 2 41 VAL QG . . 2.900 2.152 2.116 2.284 . 0 0 "[ . 1 . 2]" 1
2670 2 41 VAL QG 2 42 ASN H . . 3.990 3.204 2.376 3.549 . 0 0 "[ . 1 . 2]" 1
2671 2 41 VAL QG 2 44 TRP HB2 . . 4.720 3.325 3.081 3.520 . 0 0 "[ . 1 . 2]" 1
2672 2 41 VAL QG 2 44 TRP HE3 . . 3.360 2.538 2.228 3.219 . 0 0 "[ . 1 . 2]" 1
2673 2 41 VAL QG 2 45 THR H . . 4.390 3.524 3.322 3.762 . 0 0 "[ . 1 . 2]" 1
2674 2 41 VAL QG 2 99 TRP HB2 . . 3.610 3.256 2.827 3.710 0.100 16 0 "[ . 1 . 2]" 1
2675 2 41 VAL QG 2 99 TRP HZ3 . . 4.140 3.083 2.887 3.522 . 0 0 "[ . 1 . 2]" 1
2676 2 41 VAL QG 2 100 GLU H . . 5.440 4.532 3.186 5.272 . 0 0 "[ . 1 . 2]" 1
2677 2 42 ASN H 2 42 ASN QB . . 3.280 2.305 2.166 2.542 . 0 0 "[ . 1 . 2]" 1
2678 2 42 ASN QB 2 43 GLN H . . 3.870 2.534 2.450 2.626 . 0 0 "[ . 1 . 2]" 1
2679 2 42 ASN QB 2 44 TRP H . . 4.520 4.521 4.424 4.569 0.049 4 0 "[ . 1 . 2]" 1
2680 2 42 ASN QB 2 45 THR MG . . 4.400 3.951 3.769 4.124 . 0 0 "[ . 1 . 2]" 1
2681 2 45 THR HA 2 49 VAL QG . . 3.480 3.182 2.953 3.482 0.002 9 0 "[ . 1 . 2]" 1
2682 2 46 THR H 2 49 VAL QG . . 4.960 4.918 4.831 5.027 0.067 7 0 "[ . 1 . 2]" 1
2683 2 46 THR HA 2 49 VAL QG . . 4.610 3.794 3.707 3.862 . 0 0 "[ . 1 . 2]" 1
2684 2 49 VAL H 2 49 VAL QG . . 3.170 2.066 2.026 2.121 . 0 0 "[ . 1 . 2]" 1
2685 2 49 VAL QG 2 50 GLU H . . 3.720 3.459 3.433 3.492 . 0 0 "[ . 1 . 2]" 1
2686 2 49 VAL QG 2 52 THR HB . . 4.400 3.560 3.453 3.665 . 0 0 "[ . 1 . 2]" 1
2687 2 49 VAL QG 2 53 LEU H . . 3.470 3.380 3.336 3.419 . 0 0 "[ . 1 . 2]" 1
2688 2 49 VAL QG 2 53 LEU HA . . 5.440 4.166 4.068 4.279 . 0 0 "[ . 1 . 2]" 1
2689 2 50 GLU HA 2 51 GLN QG . . 5.340 4.767 4.629 5.074 . 0 0 "[ . 1 . 2]" 1
2690 2 51 GLN HA 2 51 GLN QG . . 3.390 2.514 2.341 3.140 . 0 0 "[ . 1 . 2]" 1
2691 2 51 GLN HB2 2 51 GLN QG . . 2.420 2.318 2.182 2.366 . 0 0 "[ . 1 . 2]" 1
2692 2 51 GLN HB3 2 51 GLN QG . . 2.420 2.408 2.322 2.436 0.016 5 0 "[ . 1 . 2]" 1
2693 2 53 LEU HA 2 56 LEU QD . . 3.690 2.101 1.889 2.213 . 0 0 "[ . 1 . 2]" 1
2694 2 53 LEU HB2 2 56 LEU QD . . 4.410 3.715 3.527 4.000 . 0 0 "[ . 1 . 2]" 1
2695 2 53 LEU QD 2 56 LEU QD . . 2.480 1.887 1.769 2.088 . 0 0 "[ . 1 . 2]" 1
2696 2 53 LEU QD 2 65 TYR QB . . 3.580 2.329 1.949 2.897 . 0 0 "[ . 1 . 2]" 1
2697 2 55 GLN H 2 56 LEU QD . . 5.100 4.449 3.977 4.656 . 0 0 "[ . 1 . 2]" 1
2698 2 56 LEU H 2 56 LEU QB . . 3.600 2.553 2.327 2.649 . 0 0 "[ . 1 . 2]" 1
2699 2 56 LEU H 2 56 LEU QD . . 3.090 2.788 2.302 2.904 . 0 0 "[ . 1 . 2]" 1
2700 2 56 LEU HA 2 56 LEU QD . . 3.870 3.435 3.187 3.470 . 0 0 "[ . 1 . 2]" 1
2701 2 56 LEU HA 2 59 LEU QD . . 3.560 2.461 2.127 3.085 . 0 0 "[ . 1 . 2]" 1
2702 2 56 LEU QB 2 57 THR H . . 3.720 3.640 3.597 3.750 0.030 5 0 "[ . 1 . 2]" 1
2703 2 56 LEU QB 2 58 LYS H . . 5.330 4.836 4.704 5.065 . 0 0 "[ . 1 . 2]" 1
2704 2 56 LEU QB 2 59 LEU QD . . 4.040 3.173 2.346 3.879 . 0 0 "[ . 1 . 2]" 1
2705 2 56 LEU QD 2 57 THR H . . 4.250 2.670 2.131 2.965 . 0 0 "[ . 1 . 2]" 1
2706 2 56 LEU QD 2 57 THR HA . . 5.440 3.119 2.729 3.509 . 0 0 "[ . 1 . 2]" 1
2707 2 56 LEU QD 2 57 THR MG . . 5.270 4.312 3.983 4.626 . 0 0 "[ . 1 . 2]" 1
2708 2 56 LEU QD 2 58 LYS H . . 5.140 4.533 4.163 4.762 . 0 0 "[ . 1 . 2]" 1
2709 2 56 LEU QD 2 110 ALA MB . . 4.020 3.988 3.741 4.158 0.138 14 0 "[ . 1 . 2]" 1
2710 2 57 THR MG 2 58 LYS QE . . 3.510 3.532 3.503 3.556 0.046 15 0 "[ . 1 . 2]" 1
2711 2 58 LYS H 2 58 LYS QE . . 4.910 4.632 4.407 4.737 . 0 0 "[ . 1 . 2]" 1
2712 2 58 LYS H 2 59 LEU QD . . 5.440 4.793 4.435 5.179 . 0 0 "[ . 1 . 2]" 1
2713 2 58 LYS HA 2 58 LYS QE . . 4.110 3.803 2.760 4.140 0.030 8 0 "[ . 1 . 2]" 1
2714 2 58 LYS HB2 2 58 LYS QE . . 4.490 4.333 3.786 4.529 0.039 18 0 "[ . 1 . 2]" 1
2715 2 58 LYS HB3 2 58 LYS QE . . 3.740 3.420 2.336 3.795 0.055 12 0 "[ . 1 . 2]" 1
2716 2 58 LYS QE 2 58 LYS HG3 . . 3.420 2.544 2.399 2.954 . 0 0 "[ . 1 . 2]" 1
2717 2 58 LYS HD2 2 58 LYS QE . . 2.420 2.166 2.147 2.180 . 0 0 "[ . 1 . 2]" 1
2718 2 58 LYS HD3 2 58 LYS QE . . 2.620 2.347 2.308 2.427 . 0 0 "[ . 1 . 2]" 1
2719 2 59 LEU H 2 59 LEU QD . . 3.720 3.403 3.188 3.671 . 0 0 "[ . 1 . 2]" 1
2720 2 59 LEU HA 2 59 LEU QD . . 2.790 2.180 2.090 2.780 . 0 0 "[ . 1 . 2]" 1
2721 2 59 LEU QB 2 59 LEU QD . . 2.670 1.943 1.930 1.959 . 0 0 "[ . 1 . 2]" 1
2722 2 59 LEU QB 2 60 GLY H . . 3.680 3.094 2.741 3.579 . 0 0 "[ . 1 . 2]" 1
2723 2 63 PHE H 2 63 PHE QB . . 3.280 2.797 2.613 3.292 0.012 16 0 "[ . 1 . 2]" 1
2724 2 63 PHE QB 2 64 LYS H . . 3.530 2.849 2.171 3.575 0.045 6 0 "[ . 1 . 2]" 1
2725 2 65 TYR H 2 65 TYR QB . . 3.280 2.836 2.282 3.293 0.013 15 0 "[ . 1 . 2]" 1
2726 2 68 THR H 2 108 VAL QG . . 4.000 3.429 3.230 3.660 . 0 0 "[ . 1 . 2]" 1
2727 2 68 THR MG 2 109 SER QB . . 5.340 4.581 2.485 5.408 0.068 20 0 "[ . 1 . 2]" 1
2728 2 69 CYS H 2 69 CYS QB . . 3.640 3.064 2.549 3.326 . 0 0 "[ . 1 . 2]" 1
2729 2 69 CYS H 2 108 VAL QG . . 4.420 4.237 4.003 4.487 0.067 14 0 "[ . 1 . 2]" 1
2730 2 69 CYS QB 2 108 VAL QG . . 4.400 2.114 1.855 2.197 . 0 0 "[ . 1 . 2]" 1
2731 2 69 CYS QB 2 109 SER H . . 3.630 3.660 3.561 3.728 0.098 11 0 "[ . 1 . 2]" 1
2732 2 70 VAL H 2 70 VAL QG . . 2.760 2.733 2.355 2.937 0.177 14 0 "[ . 1 . 2]" 1
2733 2 70 VAL HA 2 70 VAL QG . . 3.110 2.175 2.104 2.305 . 0 0 "[ . 1 . 2]" 1
2734 2 70 VAL HB 2 135 VAL QG . . 4.590 4.367 3.693 4.805 0.215 20 0 "[ . 1 . 2]" 1
2735 2 70 VAL QG 2 71 ILE H . . 4.220 2.796 2.283 3.223 . 0 0 "[ . 1 . 2]" 1
2736 2 70 VAL QG 2 71 ILE HA . . 4.810 3.924 3.642 4.187 . 0 0 "[ . 1 . 2]" 1
2737 2 70 VAL QG 2 72 MET H . . 4.020 3.865 3.501 4.162 0.142 19 0 "[ . 1 . 2]" 1
2738 2 70 VAL QG 2 72 MET HA . . 5.440 4.414 3.896 4.771 . 0 0 "[ . 1 . 2]" 1
2739 2 70 VAL QG 2 72 MET QG . . 4.320 3.711 2.115 4.348 0.028 17 0 "[ . 1 . 2]" 1
2740 2 70 VAL QG 2 81 THR HB . . 4.360 3.814 3.274 4.404 0.044 18 0 "[ . 1 . 2]" 1
2741 2 70 VAL QG 2 81 THR MG . . 3.540 2.785 2.105 3.754 0.214 18 0 "[ . 1 . 2]" 1
2742 2 70 VAL QG 2 107 ILE H . . 5.440 4.392 3.531 5.005 . 0 0 "[ . 1 . 2]" 1
2743 2 70 VAL QG 2 135 VAL QG . . 3.410 3.136 2.689 3.681 0.271 4 0 "[ . 1 . 2]" 1
2744 2 71 ILE HA 2 71 ILE QG . . 3.440 3.307 3.168 3.375 . 0 0 "[ . 1 . 2]" 1
2745 2 71 ILE HB 2 71 ILE QG . . 2.420 2.136 2.113 2.155 . 0 0 "[ . 1 . 2]" 1
2746 2 71 ILE QG 2 71 ILE MG . . 2.810 2.283 2.135 2.358 . 0 0 "[ . 1 . 2]" 1
2747 2 71 ILE MG 2 106 CYS QB . . 3.580 2.335 1.986 3.624 0.044 1 0 "[ . 1 . 2]" 1
2748 2 72 MET HA 2 79 LEU QD . . 5.440 4.496 3.398 5.567 0.127 13 0 "[ . 1 . 2]" 1
2749 2 72 MET QG 2 79 LEU QB . . 5.180 4.447 2.233 5.262 0.082 12 0 "[ . 1 . 2]" 1
2750 2 72 MET QG 2 79 LEU QD . . 4.340 2.976 1.919 4.277 . 0 0 "[ . 1 . 2]" 1
2751 2 73 GLN H 2 73 GLN QB . . 2.750 2.429 2.165 2.759 0.009 13 0 "[ . 1 . 2]" 1
2752 2 78 GLY QA 2 79 LEU QB . . 5.340 4.170 3.611 4.652 . 0 0 "[ . 1 . 2]" 1
2753 2 78 GLY QA 2 79 LEU QD . . 4.790 3.231 2.397 4.252 . 0 0 "[ . 1 . 2]" 1
2754 2 79 LEU H 2 79 LEU QD . . 3.800 2.364 1.987 3.280 . 0 0 "[ . 1 . 2]" 1
2755 2 81 THR H 2 135 VAL QG . . 4.360 3.312 2.736 3.471 . 0 0 "[ . 1 . 2]" 1
2756 2 81 THR MG 2 135 VAL QG . . 3.500 2.429 2.119 3.158 . 0 0 "[ . 1 . 2]" 1
2757 2 82 ALA MB 2 134 GLN QB . . 4.160 3.284 2.627 3.761 . 0 0 "[ . 1 . 2]" 1
2758 2 83 SER H 2 83 SER QB . . 3.380 2.923 2.601 3.184 . 0 0 "[ . 1 . 2]" 1
2759 2 83 SER H 2 134 GLN QB . . 4.310 4.256 3.480 4.409 0.099 20 0 "[ . 1 . 2]" 1
2760 2 83 SER H 2 135 VAL QG . . 5.420 4.364 3.778 4.783 . 0 0 "[ . 1 . 2]" 1
2761 2 83 SER QB 2 84 SER H . . 4.180 3.085 2.632 3.517 . 0 0 "[ . 1 . 2]" 1
2762 2 83 SER QB 2 133 THR MG . . 5.340 4.101 3.065 4.867 . 0 0 "[ . 1 . 2]" 1
2763 2 84 SER QB 2 132 ILE MG . . 4.730 3.709 3.341 4.154 . 0 0 "[ . 1 . 2]" 1
2764 2 84 SER QB 2 132 ILE MD . . 3.500 2.836 2.241 3.507 0.007 13 0 "[ . 1 . 2]" 1
2765 2 85 CYS QB 2 86 PHE QD . . 4.250 4.050 4.021 4.080 . 0 0 "[ . 1 . 2]" 1
2766 2 86 PHE H 2 86 PHE QB . . 3.350 3.185 2.685 3.346 . 0 0 "[ . 1 . 2]" 1
2767 2 87 TRP HE1 2 89 SER QB . . 4.190 3.568 2.665 4.218 0.028 14 0 "[ . 1 . 2]" 1
2768 2 87 TRP HZ2 2 89 SER QB . . 5.060 2.383 2.202 2.737 . 0 0 "[ . 1 . 2]" 1
2769 2 88 ASP H 2 88 ASP QB . . 3.480 2.941 2.625 3.390 . 0 0 "[ . 1 . 2]" 1
2770 2 88 ASP QB 2 89 SER H . . 4.090 2.863 2.428 3.808 . 0 0 "[ . 1 . 2]" 1
2771 2 88 ASP QB 2 90 SER H . . 5.340 4.239 3.812 4.814 . 0 0 "[ . 1 . 2]" 1
2772 2 88 ASP QB 2 91 THR H . . 3.300 3.120 2.605 3.348 0.048 5 0 "[ . 1 . 2]" 1
2773 2 88 ASP QB 2 91 THR HB . . 3.940 2.479 2.153 3.541 . 0 0 "[ . 1 . 2]" 1
2774 2 88 ASP QB 2 91 THR MG . . 4.230 3.849 3.432 4.249 0.019 5 0 "[ . 1 . 2]" 1
2775 2 89 SER H 2 89 SER QB . . 3.640 2.452 2.209 2.939 . 0 0 "[ . 1 . 2]" 1
2776 2 89 SER QB 2 90 SER H . . 3.000 2.332 2.072 3.024 0.024 20 0 "[ . 1 . 2]" 1
2777 2 89 SER QB 2 91 THR H . . 4.990 4.316 4.021 4.852 . 0 0 "[ . 1 . 2]" 1
2778 2 92 ASP H 2 92 ASP QB . . 3.570 2.873 2.744 3.014 . 0 0 "[ . 1 . 2]" 1
2779 2 92 ASP QB 2 93 GLY H . . 2.920 2.116 1.843 2.413 . 0 0 "[ . 1 . 2]" 1
2780 2 92 ASP QB 2 93 GLY QA . . 4.020 3.771 3.613 3.964 . 0 0 "[ . 1 . 2]" 1
2781 2 92 ASP QB 2 113 LEU QD . . 3.610 2.794 2.074 3.640 0.030 18 0 "[ . 1 . 2]" 1
2782 2 93 GLY QA 2 113 LEU QD . . 5.440 4.403 2.390 5.763 0.323 18 0 "[ . 1 . 2]" 1
2783 2 94 SER H 2 95 CYS QB . . 4.750 4.552 4.243 4.773 0.023 14 0 "[ . 1 . 2]" 1
2784 2 94 SER QB 2 95 CYS H . . 3.210 2.753 2.192 3.303 0.093 16 0 "[ . 1 . 2]" 1
2785 2 94 SER QB 2 111 PHE QD . . 5.220 2.946 2.118 4.136 . 0 0 "[ . 1 . 2]" 1
2786 2 95 CYS QB 2 110 ALA MB . . 4.220 2.779 2.218 3.797 . 0 0 "[ . 1 . 2]" 1
2787 2 96 THR HA 2 97 VAL QG . . 3.680 3.013 2.881 3.239 . 0 0 "[ . 1 . 2]" 1
2788 2 96 THR MG 2 109 SER QB . . 5.340 4.367 3.741 4.750 . 0 0 "[ . 1 . 2]" 1
2789 2 97 VAL H 2 97 VAL QG . . 3.330 2.598 2.498 2.763 . 0 0 "[ . 1 . 2]" 1
2790 2 97 VAL H 2 108 VAL QG . . 3.700 2.869 2.606 3.881 0.181 18 0 "[ . 1 . 2]" 1
2791 2 97 VAL HA 2 97 VAL QG . . 3.050 2.139 2.077 2.167 . 0 0 "[ . 1 . 2]" 1
2792 2 97 VAL HA 2 98 ARG QG . . 4.790 3.800 3.454 4.157 . 0 0 "[ . 1 . 2]" 1
2793 2 97 VAL QG 2 98 ARG H . . 2.940 2.522 2.073 3.170 0.230 4 0 "[ . 1 . 2]" 1
2794 2 97 VAL QG 2 98 ARG HA . . 5.010 4.099 3.913 4.334 . 0 0 "[ . 1 . 2]" 1
2795 2 97 VAL QG 2 99 TRP H . . 4.730 4.539 4.120 4.851 0.121 16 0 "[ . 1 . 2]" 1
2796 2 98 ARG H 2 98 ARG QG . . 2.380 2.255 2.044 2.418 0.038 10 0 "[ . 1 . 2]" 1
2797 2 98 ARG H 2 98 ARG QD . . 4.520 3.486 2.453 4.215 . 0 0 "[ . 1 . 2]" 1
2798 2 98 ARG HA 2 98 ARG QG . . 3.700 3.433 3.247 3.503 . 0 0 "[ . 1 . 2]" 1
2799 2 98 ARG HA 2 98 ARG QD . . 4.230 3.958 2.320 4.257 0.027 16 0 "[ . 1 . 2]" 1
2800 2 98 ARG QG 2 99 TRP H . . 5.190 4.488 4.101 5.000 . 0 0 "[ . 1 . 2]" 1
2801 2 100 GLU H 2 100 GLU QB . . 2.860 2.677 2.274 2.942 0.082 19 0 "[ . 1 . 2]" 1
2802 2 100 GLU QB 2 101 ASN H . . 3.430 2.669 2.268 3.485 0.055 6 0 "[ . 1 . 2]" 1
2803 2 101 ASN H 2 101 ASN QB . . 2.950 2.722 2.498 2.951 0.001 16 0 "[ . 1 . 2]" 1
2804 2 101 ASN QB 2 102 LYS H . . 3.990 2.526 1.978 3.096 . 0 0 "[ . 1 . 2]" 1
2805 2 101 ASN QB 2 104 MET H . . 5.160 2.673 2.338 3.476 . 0 0 "[ . 1 . 2]" 1
2806 2 101 ASN QB 2 104 MET QB . . 5.180 3.317 2.177 4.179 . 0 0 "[ . 1 . 2]" 1
2807 2 102 LYS HA 2 102 LYS QG . . 3.090 2.191 2.030 2.357 . 0 0 "[ . 1 . 2]" 1
2808 2 102 LYS HB3 2 102 LYS QG . . 2.620 2.522 2.410 2.581 . 0 0 "[ . 1 . 2]" 1
2809 2 102 LYS QD 2 102 LYS QG . . 2.240 2.072 1.996 2.119 . 0 0 "[ . 1 . 2]" 1
2810 2 102 LYS QE 2 102 LYS QG . . 2.740 2.202 2.028 2.379 . 0 0 "[ . 1 . 2]" 1
2811 2 103 THR MG 2 104 MET QG . . 5.020 3.271 2.268 4.714 . 0 0 "[ . 1 . 2]" 1
2812 2 104 MET H 2 104 MET QB . . 3.600 2.809 2.382 3.230 . 0 0 "[ . 1 . 2]" 1
2813 2 104 MET H 2 104 MET QG . . 3.810 2.551 1.926 3.446 . 0 0 "[ . 1 . 2]" 1
2814 2 104 MET HA 2 104 MET QG . . 3.680 3.060 2.262 3.429 . 0 0 "[ . 1 . 2]" 1
2815 2 104 MET QB 2 104 MET QG . . 2.310 2.093 2.015 2.126 . 0 0 "[ . 1 . 2]" 1
2816 2 105 TYR H 2 105 TYR QB . . 3.280 2.974 2.407 3.326 0.046 10 0 "[ . 1 . 2]" 1
2817 2 106 CYS H 2 106 CYS QB . . 3.300 3.001 2.232 3.211 . 0 0 "[ . 1 . 2]" 1
2818 2 107 ILE MD 2 109 SER QB . . 4.130 3.884 3.261 4.176 0.046 10 0 "[ . 1 . 2]" 1
2819 2 108 VAL H 2 108 VAL QG . . 2.650 2.241 2.109 2.495 . 0 0 "[ . 1 . 2]" 1
2820 2 108 VAL HA 2 108 VAL QG . . 2.870 2.284 2.165 2.357 . 0 0 "[ . 1 . 2]" 1
2821 2 108 VAL QG 2 109 SER H . . 2.970 2.554 2.297 2.960 . 0 0 "[ . 1 . 2]" 1
2822 2 108 VAL QG 2 109 SER HA . . 5.440 3.600 3.429 3.837 . 0 0 "[ . 1 . 2]" 1
2823 2 108 VAL QG 2 109 SER QB . . 5.280 4.145 3.973 4.397 . 0 0 "[ . 1 . 2]" 1
2824 2 108 VAL QG 2 110 ALA H . . 5.180 4.096 3.643 4.601 . 0 0 "[ . 1 . 2]" 1
2825 2 111 PHE HB2 2 113 LEU QD . . 5.210 3.554 2.623 4.677 . 0 0 "[ . 1 . 2]" 1
2826 2 111 PHE QD 2 113 LEU QD . . 3.460 3.265 2.642 3.729 0.269 9 0 "[ . 1 . 2]" 1
2827 2 112 GLY H 2 113 LEU QD . . 4.210 3.067 1.925 4.020 . 0 0 "[ . 1 . 2]" 1
2828 2 112 GLY QA 2 113 LEU QD . . 5.060 3.216 2.629 3.854 . 0 0 "[ . 1 . 2]" 1
2829 2 113 LEU H 2 113 LEU QB . . 3.520 2.587 2.294 3.344 . 0 0 "[ . 1 . 2]" 1
2830 2 113 LEU H 2 113 LEU QD . . 3.760 2.008 1.737 2.313 . 0 0 "[ . 1 . 2]" 1
2831 2 113 LEU QB 2 113 LEU QD . . 2.350 2.078 1.915 2.099 . 0 0 "[ . 1 . 2]" 1
2832 2 113 LEU QB 2 114 SER H . . 4.210 3.158 2.247 4.038 . 0 0 "[ . 1 . 2]" 1
2833 2 113 LEU QB 2 115 ILE H . . 5.330 4.991 4.028 5.432 0.102 8 0 "[ . 1 . 2]" 1
2834 2 113 LEU QD 2 114 SER H . . 4.250 3.554 3.051 4.123 . 0 0 "[ . 1 . 2]" 1
2835 2 114 SER H 2 114 SER QB . . 3.430 2.569 2.207 2.774 . 0 0 "[ . 1 . 2]" 1
2836 2 115 ILE H 2 115 ILE QG . . 3.730 2.683 1.748 3.582 . 0 0 "[ . 1 . 2]" 1
2837 2 115 ILE HA 2 115 ILE QG . . 3.410 3.339 2.493 3.517 0.107 13 0 "[ . 1 . 2]" 1
2838 2 115 ILE QG 2 116 GLY QA . . 5.340 4.151 3.238 5.435 0.095 10 0 "[ . 1 . 2]" 1
2839 2 119 SER H 2 119 SER QB . . 3.560 2.576 2.221 3.089 . 0 0 "[ . 1 . 2]" 1
2840 2 121 GLN H 2 121 GLN QB . . 3.350 2.469 1.893 3.119 . 0 0 "[ . 1 . 2]" 1
2841 2 121 GLN H 2 121 GLN QG . . 3.390 2.591 2.090 3.441 0.051 9 0 "[ . 1 . 2]" 1
2842 2 121 GLN HA 2 121 GLN QG . . 3.620 2.927 2.181 3.544 . 0 0 "[ . 1 . 2]" 1
2843 2 121 GLN QB 2 122 SER H . . 4.330 2.575 1.872 3.905 . 0 0 "[ . 1 . 2]" 1
2844 2 121 GLN QB 2 122 SER QB . . 4.110 3.995 3.453 4.206 0.096 17 0 "[ . 1 . 2]" 1
2845 2 121 GLN QG 2 122 SER H . . 4.840 3.850 3.027 4.821 . 0 0 "[ . 1 . 2]" 1
2846 2 123 GLY QA 2 124 PRO QD . . 3.070 2.157 2.036 2.332 . 0 0 "[ . 1 . 2]" 1
2847 2 124 PRO QB 2 125 ILE H . . 3.100 2.757 2.281 3.127 0.027 17 0 "[ . 1 . 2]" 1
2848 2 125 ILE H 2 125 ILE QG . . 2.930 2.207 2.045 2.374 . 0 0 "[ . 1 . 2]" 1
2849 2 125 ILE HA 2 125 ILE QG . . 3.520 3.417 3.371 3.495 . 0 0 "[ . 1 . 2]" 1
2850 2 125 ILE QG 2 125 ILE MG . . 3.100 2.220 2.104 2.477 . 0 0 "[ . 1 . 2]" 1
2851 2 125 ILE QG 2 126 LYS H . . 5.340 4.237 3.569 4.596 . 0 0 "[ . 1 . 2]" 1
2852 2 126 LYS H 2 126 LYS QB . . 3.290 2.906 2.210 3.234 . 0 0 "[ . 1 . 2]" 1
2853 2 126 LYS H 2 126 LYS QG . . 3.600 3.040 2.014 3.658 0.058 20 0 "[ . 1 . 2]" 1
2854 2 126 LYS HA 2 126 LYS QG . . 3.520 3.172 2.285 3.550 0.030 14 0 "[ . 1 . 2]" 1
2855 2 126 LYS QB 2 126 LYS QG . . 2.320 2.016 1.967 2.046 . 0 0 "[ . 1 . 2]" 1
2856 2 126 LYS QB 2 126 LYS QD . . 3.310 2.708 2.247 3.050 . 0 0 "[ . 1 . 2]" 1
2857 2 126 LYS QB 2 126 LYS QE . . 2.920 2.226 2.012 3.134 0.214 14 0 "[ . 1 . 2]" 1
2858 2 126 LYS QB 2 127 LEU H . . 3.250 2.561 2.195 3.321 0.071 13 0 "[ . 1 . 2]" 1
2859 2 126 LYS QG 2 127 LEU H . . 4.640 3.782 2.997 4.581 . 0 0 "[ . 1 . 2]" 1
2860 2 127 LEU HA 2 127 LEU QD . . 3.010 2.251 1.934 3.011 0.001 7 0 "[ . 1 . 2]" 1
2861 2 127 LEU QB 2 127 LEU HG . . 2.520 2.413 2.136 2.499 . 0 0 "[ . 1 . 2]" 1
2862 2 127 LEU QB 2 127 LEU QD . . 2.610 1.960 1.929 2.093 . 0 0 "[ . 1 . 2]" 1
2863 2 127 LEU QB 2 128 GLY H . . 3.660 2.973 2.181 3.601 . 0 0 "[ . 1 . 2]" 1
2864 2 127 LEU QD 2 128 GLY H . . 4.080 3.234 1.999 3.935 . 0 0 "[ . 1 . 2]" 1
2865 2 131 LYS H 2 131 LYS QG . . 3.580 2.965 2.634 3.606 0.026 20 0 "[ . 1 . 2]" 1
2866 2 131 LYS HA 2 131 LYS QG . . 3.540 3.140 3.059 3.511 . 0 0 "[ . 1 . 2]" 1
2867 2 131 LYS QE 2 131 LYS QG . . 2.640 2.270 2.083 2.335 . 0 0 "[ . 1 . 2]" 1
2868 2 132 ILE H 2 132 ILE QG . . 3.400 2.064 1.902 2.479 . 0 0 "[ . 1 . 2]" 1
2869 2 132 ILE HA 2 132 ILE QG . . 3.300 3.141 3.081 3.217 . 0 0 "[ . 1 . 2]" 1
2870 2 132 ILE QG 2 132 ILE MG . . 3.010 2.218 2.126 2.270 . 0 0 "[ . 1 . 2]" 1
2871 2 132 ILE QG 2 133 THR H . . 5.270 4.677 4.599 4.745 . 0 0 "[ . 1 . 2]" 1
2872 2 134 GLN HA 2 135 VAL QG . . 3.580 3.400 3.311 3.560 . 0 0 "[ . 1 . 2]" 1
2873 2 134 GLN QB 2 134 GLN HG2 . . 2.600 2.487 2.432 2.584 . 0 0 "[ . 1 . 2]" 1
2874 2 134 GLN HG2 2 135 VAL QG . . 5.000 4.027 3.969 4.067 . 0 0 "[ . 1 . 2]" 1
2875 2 135 VAL H 2 135 VAL QG . . 2.750 2.240 2.100 2.320 . 0 0 "[ . 1 . 2]" 1
2876 2 135 VAL HA 2 135 VAL QG . . 2.830 2.346 2.302 2.429 . 0 0 "[ . 1 . 2]" 1
2877 2 135 VAL QG 2 136 ASP H . . 3.960 3.120 2.476 3.355 . 0 0 "[ . 1 . 2]" 1
2878 2 135 VAL QG 2 136 ASP HA . . 5.440 3.601 3.359 3.756 . 0 0 "[ . 1 . 2]" 1
2879 2 135 VAL QG 2 137 PHE QD . . 5.410 3.785 2.682 5.830 0.420 3 0 "[ . 1 . 2]" 1
2880 2 136 ASP QB 2 137 PHE H . . 3.910 2.806 2.370 3.895 . 0 0 "[ . 1 . 2]" 1
2881 2 140 ARG HA 2 140 ARG QG . . 3.360 2.413 2.207 2.799 . 0 0 "[ . 1 . 2]" 1
2882 2 140 ARG QB 2 140 ARG QG . . 2.270 2.021 1.972 2.062 . 0 0 "[ . 1 . 2]" 1
2883 2 140 ARG QB 2 140 ARG QD . . 3.040 2.364 2.143 2.594 . 0 0 "[ . 1 . 2]" 1
2884 2 140 ARG QB 2 141 GLU H . . 3.430 2.354 1.920 3.192 . 0 0 "[ . 1 . 2]" 1
2885 2 140 ARG QG 2 141 GLU H . . 3.700 3.315 2.152 3.810 0.110 5 0 "[ . 1 . 2]" 1
2886 2 141 GLU H 2 141 GLU QB . . 2.750 2.380 2.030 2.786 0.036 6 0 "[ . 1 . 2]" 1
2887 2 141 GLU QB 2 142 ILE H . . 3.230 2.770 2.128 3.285 0.055 12 0 "[ . 1 . 2]" 1
2888 2 142 ILE H 2 142 ILE QG . . 2.880 2.780 2.291 2.907 0.027 13 0 "[ . 1 . 2]" 1
2889 2 142 ILE QG 2 142 ILE MG . . 3.160 2.422 2.131 2.479 . 0 0 "[ . 1 . 2]" 1
2890 2 142 ILE QG 2 143 VAL H . . 4.360 3.584 3.263 4.253 . 0 0 "[ . 1 . 2]" 1
2891 1 65 TYR HA 1 112 GLY QA . . 2.650 2.413 2.096 2.682 0.032 6 0 "[ . 1 . 2]" 1
2892 1 67 VAL HA 1 110 ALA HA . . 2.500 2.323 2.118 2.509 0.009 17 0 "[ . 1 . 2]" 1
2893 1 69 CYS HA 1 108 VAL HA . . 2.500 2.446 2.171 2.608 0.108 6 0 "[ . 1 . 2]" 1
2894 1 71 ILE HA 1 106 CYS HA . . 2.500 2.616 2.375 2.725 0.225 16 0 "[ . 1 . 2]" 1
2895 1 100 GLU HA 1 105 TYR HA . . 2.500 2.482 2.232 2.586 0.086 18 0 "[ . 1 . 2]" 1
2896 1 98 ARG HA 1 107 ILE HA . . 2.500 2.495 2.396 2.581 0.081 14 0 "[ . 1 . 2]" 1
2897 1 96 THR HA 1 109 SER HA . . 2.500 2.285 2.015 2.517 0.017 12 0 "[ . 1 . 2]" 1
2898 1 94 SER HA 1 111 PHE HA . . 2.500 2.401 2.029 2.676 0.176 14 0 "[ . 1 . 2]" 1
2899 2 65 TYR HA 2 112 GLY QA . . 2.650 2.376 2.055 2.669 0.019 8 0 "[ . 1 . 2]" 1
2900 2 67 VAL HA 2 110 ALA HA . . 2.500 2.317 2.127 2.466 . 0 0 "[ . 1 . 2]" 1
2901 2 69 CYS HA 2 108 VAL HA . . 2.500 2.444 2.169 2.587 0.087 6 0 "[ . 1 . 2]" 1
2902 2 71 ILE HA 2 106 CYS HA . . 2.500 2.608 2.515 2.700 0.200 6 0 "[ . 1 . 2]" 1
2903 2 73 GLN HA 2 104 MET HA . . 2.750 2.424 1.978 2.970 0.220 13 0 "[ . 1 . 2]" 1
2904 2 100 GLU HA 2 105 TYR HA . . 2.500 2.512 2.333 2.640 0.140 16 0 "[ . 1 . 2]" 1
2905 2 98 ARG HA 2 107 ILE HA . . 2.500 2.483 2.295 2.600 0.100 14 0 "[ . 1 . 2]" 1
2906 2 96 THR HA 2 109 SER HA . . 2.500 2.272 1.956 2.499 . 0 0 "[ . 1 . 2]" 1
2907 2 94 SER HA 2 111 PHE HA . . 2.500 2.421 2.225 2.700 0.200 14 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 73
_Distance_constraint_stats_list.Viol_count 553
_Distance_constraint_stats_list.Viol_total 1158.122
_Distance_constraint_stats_list.Viol_max 0.370
_Distance_constraint_stats_list.Viol_rms 0.0704
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0397
_Distance_constraint_stats_list.Viol_average_violations_only 0.1047
_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 16 VAL 0.164 0.065 4 0 "[ . 1 . 2]"
1 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.724 0.370 20 0 "[ . 1 . 2]"
1 19 VAL 0.724 0.370 20 0 "[ . 1 . 2]"
1 23 VAL 0.818 0.082 9 0 "[ . 1 . 2]"
1 24 LYS 0.818 0.082 9 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.039 0.027 17 0 "[ . 1 . 2]"
1 43 GLN 0.491 0.067 11 0 "[ . 1 . 2]"
1 44 TRP 0.867 0.067 11 0 "[ . 1 . 2]"
1 48 VAL 9.115 0.290 8 0 "[ . 1 . 2]"
1 49 VAL 0.083 0.025 17 0 "[ . 1 . 2]"
1 50 GLU 4.927 0.290 8 0 "[ . 1 . 2]"
1 52 THR 3.811 0.239 11 0 "[ . 1 . 2]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 LEU 6.311 0.248 18 0 "[ . 1 . 2]"
1 58 LYS 4.248 0.248 18 0 "[ . 1 . 2]"
1 65 TYR 1.639 0.124 7 0 "[ . 1 . 2]"
1 66 ILE 5.031 0.208 2 0 "[ . 1 . 2]"
1 67 VAL 2.463 0.152 13 0 "[ . 1 . 2]"
1 68 THR 3.017 0.208 2 0 "[ . 1 . 2]"
1 69 CYS 0.079 0.025 17 0 "[ . 1 . 2]"
1 85 CYS 2.725 0.225 8 0 "[ . 1 . 2]"
1 86 PHE 2.725 0.225 8 0 "[ . 1 . 2]"
1 95 CYS 0.164 0.065 4 0 "[ . 1 . 2]"
1 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 TRP 0.039 0.027 17 0 "[ . 1 . 2]"
1 111 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 1.085 0.117 2 0 "[ . 1 . 2]"
1 114 SER 1.085 0.117 2 0 "[ . 1 . 2]"
1 140 ARG 0.990 0.113 20 0 "[ . 1 . 2]"
1 141 GLU 0.990 0.113 20 0 "[ . 1 . 2]"
1 142 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 VAL 0.168 0.062 4 0 "[ . 1 . 2]"
2 17 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 GLU 0.200 0.200 12 0 "[ . 1 . 2]"
2 19 VAL 0.200 0.200 12 0 "[ . 1 . 2]"
2 23 VAL 0.771 0.081 9 0 "[ . 1 . 2]"
2 24 LYS 0.771 0.081 9 0 "[ . 1 . 2]"
2 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 ILE 0.059 0.027 13 0 "[ . 1 . 2]"
2 43 GLN 0.485 0.068 11 0 "[ . 1 . 2]"
2 44 TRP 0.831 0.068 11 0 "[ . 1 . 2]"
2 48 VAL 9.047 0.291 8 0 "[ . 1 . 2]"
2 49 VAL 0.055 0.017 8 0 "[ . 1 . 2]"
2 50 GLU 4.951 0.291 8 0 "[ . 1 . 2]"
2 52 THR 3.751 0.229 16 0 "[ . 1 . 2]"
2 53 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 LEU 6.053 0.243 2 0 "[ . 1 . 2]"
2 58 LYS 4.145 0.243 2 0 "[ . 1 . 2]"
2 65 TYR 1.442 0.133 5 0 "[ . 1 . 2]"
2 66 ILE 5.965 0.204 2 0 "[ . 1 . 2]"
2 67 VAL 3.120 0.163 13 0 "[ . 1 . 2]"
2 68 THR 3.362 0.204 2 0 "[ . 1 . 2]"
2 69 CYS 0.035 0.014 17 0 "[ . 1 . 2]"
2 85 CYS 2.680 0.167 3 0 "[ . 1 . 2]"
2 86 PHE 2.680 0.167 3 0 "[ . 1 . 2]"
2 95 CYS 0.168 0.062 4 0 "[ . 1 . 2]"
2 97 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 99 TRP 0.059 0.027 13 0 "[ . 1 . 2]"
2 111 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 113 LEU 1.114 0.115 2 0 "[ . 1 . 2]"
2 114 SER 1.114 0.115 2 0 "[ . 1 . 2]"
2 134 GLN 2.686 0.198 7 0 "[ . 1 . 2]"
2 135 VAL 2.686 0.198 7 0 "[ . 1 . 2]"
2 140 ARG 0.995 0.112 20 0 "[ . 1 . 2]"
2 141 GLU 0.995 0.112 20 0 "[ . 1 . 2]"
2 142 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 143 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 53 LEU MD1 1 65 TYR HB2 . . 5.000 2.752 2.123 4.335 . 0 0 "[ . 1 . 2]" 2
2 1 53 LEU MD1 1 65 TYR HB3 . . 5.000 2.895 2.063 3.737 . 0 0 "[ . 1 . 2]" 2
3 1 56 LEU MD1 1 65 TYR HB2 . . 5.000 4.845 4.446 5.085 0.085 12 0 "[ . 1 . 2]" 2
4 1 56 LEU MD1 1 65 TYR HB3 . . 4.520 4.582 4.459 4.644 0.124 7 0 "[ . 1 . 2]" 2
5 1 53 LEU MD1 1 67 VAL MG1 . . 5.000 2.724 2.219 3.277 . 0 0 "[ . 1 . 2]" 2
6 1 56 LEU MD1 1 67 VAL MG1 . . 5.000 4.997 4.832 5.099 0.099 5 0 "[ . 1 . 2]" 2
7 1 49 VAL HB 1 67 VAL MG2 . . 5.000 4.422 3.497 5.004 0.004 13 0 "[ . 1 . 2]" 2
8 1 49 VAL MG1 1 67 VAL MG2 . . 5.000 2.391 1.957 2.753 . 0 0 "[ . 1 . 2]" 2
9 1 49 VAL MG1 1 69 CYS QB . . 5.000 4.819 4.344 5.025 0.025 17 0 "[ . 1 . 2]" 2
10 1 31 ILE MD 1 99 TRP HE3 . . 5.000 4.827 4.539 5.027 0.027 17 0 "[ . 1 . 2]" 2
11 1 27 ILE MD 1 99 TRP HB2 . . 5.000 4.773 4.576 4.939 . 0 0 "[ . 1 . 2]" 2
12 1 27 ILE MD 1 97 VAL MG1 . . 5.000 3.056 2.851 3.362 . 0 0 "[ . 1 . 2]" 2
13 2 53 LEU MD1 2 65 TYR HB2 . . 5.000 2.630 2.109 3.963 . 0 0 "[ . 1 . 2]" 2
14 2 53 LEU MD1 2 65 TYR HB3 . . 5.000 3.041 2.112 4.628 . 0 0 "[ . 1 . 2]" 2
15 2 56 LEU MD1 2 65 TYR HB2 . . 5.000 4.866 4.610 5.071 0.071 8 0 "[ . 1 . 2]" 2
16 2 56 LEU MD1 2 65 TYR HB3 . . 4.520 4.571 4.523 4.653 0.133 5 0 "[ . 1 . 2]" 2
17 2 53 LEU MD1 2 67 VAL MG1 . . 5.000 2.743 2.139 3.257 . 0 0 "[ . 1 . 2]" 2
18 2 56 LEU MD1 2 67 VAL MG1 . . 5.000 4.995 4.822 5.122 0.122 11 0 "[ . 1 . 2]" 2
19 2 49 VAL HB 2 67 VAL MG2 . . 5.000 4.453 3.506 5.017 0.017 8 0 "[ . 1 . 2]" 2
20 2 49 VAL MG1 2 67 VAL MG2 . . 5.000 2.400 1.976 2.823 . 0 0 "[ . 1 . 2]" 2
21 2 49 VAL MG1 2 69 CYS QB . . 5.000 4.793 4.329 5.014 0.014 17 0 "[ . 1 . 2]" 2
22 2 31 ILE MD 2 99 TRP HE3 . . 5.000 4.850 4.583 5.027 0.027 13 0 "[ . 1 . 2]" 2
23 2 27 ILE MD 2 99 TRP HB2 . . 5.000 4.786 4.630 4.907 . 0 0 "[ . 1 . 2]" 2
24 2 27 ILE MD 2 97 VAL MG1 . . 5.000 3.095 2.820 3.450 . 0 0 "[ . 1 . 2]" 2
25 1 142 ILE HG13 1 143 VAL H . . 5.370 4.297 3.927 4.719 . 0 0 "[ . 1 . 2]" 2
26 1 18 GLU H 1 19 VAL HB . . 5.330 4.496 4.268 4.810 . 0 0 "[ . 1 . 2]" 2
27 1 18 GLU H 1 19 VAL MG2 . . 4.560 4.066 3.733 4.930 0.370 20 0 "[ . 1 . 2]" 2
28 1 16 VAL HA 1 17 ASP HA . . 4.970 4.880 4.830 4.934 . 0 0 "[ . 1 . 2]" 2
29 1 140 ARG HB2 1 141 GLU HA . . 5.500 5.542 5.356 5.613 0.113 20 0 "[ . 1 . 2]" 2
30 1 56 LEU MD2 1 58 LYS H . . 5.700 5.911 5.884 5.948 0.248 18 0 "[ . 1 . 2]" 2
31 1 23 VAL MG2 1 27 ILE HA . . 5.500 5.144 4.988 5.297 . 0 0 "[ . 1 . 2]" 2
32 1 49 VAL MG2 1 52 THR HB . . 4.790 3.791 3.680 3.913 . 0 0 "[ . 1 . 2]" 2
33 1 48 VAL MG2 1 52 THR HB . . 4.790 4.981 4.916 5.029 0.239 11 0 "[ . 1 . 2]" 2
34 1 48 VAL MG2 1 50 GLU H . . 4.720 4.966 4.940 5.010 0.290 8 0 "[ . 1 . 2]" 2
35 1 44 TRP HE3 1 48 VAL MG2 . . 5.800 5.786 5.628 5.863 0.063 8 0 "[ . 1 . 2]" 2
36 1 43 GLN H 1 44 TRP HA . . 5.250 5.274 5.239 5.317 0.067 11 0 "[ . 1 . 2]" 2
37 1 16 VAL MG2 1 95 CYS HB3 . . 5.130 4.143 2.381 5.195 0.065 4 0 "[ . 1 . 2]" 2
38 1 85 CYS HB3 1 86 PHE QD . . 4.140 4.276 4.219 4.365 0.225 8 0 "[ . 1 . 2]" 2
39 1 53 LEU QD 1 67 VAL HA . . 5.500 4.581 4.030 4.844 . 0 0 "[ . 1 . 2]" 2
40 1 113 LEU MD1 1 114 SER HB2 . . 5.470 5.504 5.247 5.587 0.117 2 0 "[ . 1 . 2]" 2
41 1 19 VAL MG1 1 95 CYS QB . . 5.500 2.355 2.113 2.596 . 0 0 "[ . 1 . 2]" 2
42 1 66 ILE MG 1 67 VAL MG2 . . 4.690 4.784 4.720 4.842 0.152 13 0 "[ . 1 . 2]" 2
43 1 65 TYR HB3 1 66 ILE H . . 3.800 3.454 2.748 3.890 0.090 20 0 "[ . 1 . 2]" 2
44 1 58 LYS HE2 1 58 LYS HG2 . . 3.800 3.546 3.411 3.813 0.013 13 0 "[ . 1 . 2]" 2
45 1 66 ILE H 1 111 PHE H . . 5.220 3.017 2.752 3.626 . 0 0 "[ . 1 . 2]" 2
46 1 66 ILE MG 1 111 PHE H . . 4.300 2.722 2.545 3.101 . 0 0 "[ . 1 . 2]" 2
47 1 66 ILE HG13 1 68 THR HA . . 5.500 5.651 5.546 5.708 0.208 2 0 "[ . 1 . 2]" 2
48 1 23 VAL MG2 1 24 LYS QE . . 3.730 3.771 3.751 3.812 0.082 9 0 "[ . 1 . 2]" 2
49 2 142 ILE HG13 2 143 VAL H . . 5.370 4.303 3.929 4.736 . 0 0 "[ . 1 . 2]" 2
50 2 18 GLU H 2 19 VAL HB . . 5.330 4.520 4.159 5.530 0.200 12 0 "[ . 1 . 2]" 2
51 2 18 GLU H 2 19 VAL MG2 . . 4.560 3.986 3.671 4.308 . 0 0 "[ . 1 . 2]" 2
52 2 16 VAL HA 2 17 ASP HA . . 4.970 4.884 4.826 4.920 . 0 0 "[ . 1 . 2]" 2
53 2 140 ARG HB2 2 141 GLU HA . . 5.500 5.541 5.329 5.612 0.112 20 0 "[ . 1 . 2]" 2
54 2 56 LEU MD2 2 58 LYS H . . 5.700 5.863 4.838 5.943 0.243 2 0 "[ . 1 . 2]" 2
55 2 23 VAL MG2 2 27 ILE HA . . 5.500 5.145 4.980 5.284 . 0 0 "[ . 1 . 2]" 2
56 2 49 VAL MG2 2 52 THR HB . . 4.790 3.789 3.669 3.905 . 0 0 "[ . 1 . 2]" 2
57 2 48 VAL MG2 2 52 THR HB . . 4.790 4.978 4.920 5.019 0.229 16 0 "[ . 1 . 2]" 2
58 2 48 VAL MG2 2 50 GLU H . . 4.720 4.968 4.939 5.011 0.291 8 0 "[ . 1 . 2]" 2
59 2 44 TRP HE3 2 48 VAL MG2 . . 5.800 5.779 5.645 5.863 0.063 8 0 "[ . 1 . 2]" 2
60 2 43 GLN H 2 44 TRP HA . . 5.250 5.273 5.233 5.318 0.068 11 0 "[ . 1 . 2]" 2
61 2 16 VAL MG2 2 95 CYS HB3 . . 5.130 4.083 2.094 5.192 0.062 4 0 "[ . 1 . 2]" 2
62 2 85 CYS HB3 2 86 PHE QD . . 4.140 4.274 4.219 4.307 0.167 3 0 "[ . 1 . 2]" 2
63 2 53 LEU QD 2 67 VAL HA . . 5.500 4.614 3.985 5.017 . 0 0 "[ . 1 . 2]" 2
64 2 113 LEU MD1 2 114 SER HB2 . . 5.470 5.509 5.250 5.585 0.115 2 0 "[ . 1 . 2]" 2
65 2 19 VAL MG1 2 95 CYS QB . . 5.500 2.494 2.094 3.777 . 0 0 "[ . 1 . 2]" 2
66 2 66 ILE MG 2 67 VAL MG2 . . 4.690 4.809 4.771 4.853 0.163 13 0 "[ . 1 . 2]" 2
67 2 65 TYR HB3 2 66 ILE H . . 3.800 3.552 2.543 3.853 0.053 18 0 "[ . 1 . 2]" 2
68 2 58 LYS HE2 2 58 LYS HG2 . . 3.800 3.560 3.445 3.812 0.012 13 0 "[ . 1 . 2]" 2
69 2 134 GLN HG2 2 135 VAL MG1 . . 4.040 4.174 4.084 4.238 0.198 7 0 "[ . 1 . 2]" 2
70 2 66 ILE H 2 111 PHE H . . 5.220 2.973 2.841 3.116 . 0 0 "[ . 1 . 2]" 2
71 2 66 ILE MG 2 111 PHE H . . 4.300 2.770 2.591 3.071 . 0 0 "[ . 1 . 2]" 2
72 2 66 ILE HG13 2 68 THR HA . . 5.500 5.668 5.580 5.704 0.204 2 0 "[ . 1 . 2]" 2
73 2 23 VAL MG2 2 24 LYS QE . . 3.730 3.769 3.752 3.811 0.081 9 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 90
_Distance_constraint_stats_list.Viol_count 591
_Distance_constraint_stats_list.Viol_total 482.521
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0134
_Distance_constraint_stats_list.Viol_average_violations_only 0.0408
_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 16 VAL 0.145 0.048 20 0 "[ . 1 . 2]"
1 18 GLU 0.493 0.068 8 0 "[ . 1 . 2]"
1 20 SER 0.145 0.048 20 0 "[ . 1 . 2]"
1 21 ASN 1.801 0.083 13 0 "[ . 1 . 2]"
1 22 ILE 0.493 0.068 8 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLU 1.801 0.083 13 0 "[ . 1 . 2]"
1 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASN 0.536 0.077 7 0 "[ . 1 . 2]"
1 43 GLN 0.010 0.004 20 0 "[ . 1 . 2]"
1 44 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.536 0.077 7 0 "[ . 1 . 2]"
1 47 ASN 0.010 0.004 20 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 2.300 0.116 13 0 "[ . 1 . 2]"
1 50 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLN 0.117 0.033 18 0 "[ . 1 . 2]"
1 53 LEU 2.496 0.116 13 0 "[ . 1 . 2]"
1 55 GLN 0.418 0.045 17 0 "[ . 1 . 2]"
1 57 THR 0.196 0.053 9 0 "[ . 1 . 2]"
1 59 LEU 0.301 0.045 17 0 "[ . 1 . 2]"
1 64 LYS 0.940 0.156 4 0 "[ . 1 . 2]"
1 67 VAL 0.711 0.070 3 0 "[ . 1 . 2]"
1 69 CYS 0.524 0.064 13 0 "[ . 1 . 2]"
1 71 ILE 2.759 0.171 16 0 "[ . 1 . 2]"
1 80 HIS 2.862 0.159 17 0 "[ . 1 . 2]"
1 81 THR 0.531 0.060 18 0 "[ . 1 . 2]"
1 82 ALA 0.412 0.045 13 0 "[ . 1 . 2]"
1 83 SER 0.619 0.051 17 0 "[ . 1 . 2]"
1 84 SER 0.788 0.073 3 0 "[ . 1 . 2]"
1 133 THR 0.619 0.051 17 0 "[ . 1 . 2]"
1 135 VAL 0.531 0.060 18 0 "[ . 1 . 2]"
2 16 VAL 0.054 0.047 12 0 "[ . 1 . 2]"
2 18 GLU 0.908 0.071 8 0 "[ . 1 . 2]"
2 20 SER 0.054 0.047 12 0 "[ . 1 . 2]"
2 21 ASN 1.915 0.083 13 0 "[ . 1 . 2]"
2 22 ILE 0.908 0.071 8 0 "[ . 1 . 2]"
2 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 GLU 1.915 0.083 13 0 "[ . 1 . 2]"
2 27 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 ASN 0.553 0.080 7 0 "[ . 1 . 2]"
2 43 GLN 0.003 0.003 4 0 "[ . 1 . 2]"
2 44 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 THR 0.561 0.080 7 0 "[ . 1 . 2]"
2 47 ASN 0.003 0.003 4 0 "[ . 1 . 2]"
2 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 VAL 2.278 0.114 9 0 "[ . 1 . 2]"
2 50 GLU 0.009 0.005 11 0 "[ . 1 . 2]"
2 51 GLN 0.091 0.024 18 0 "[ . 1 . 2]"
2 53 LEU 2.578 0.114 9 0 "[ . 1 . 2]"
2 55 GLN 0.456 0.076 18 0 "[ . 1 . 2]"
2 57 THR 0.300 0.101 18 0 "[ . 1 . 2]"
2 59 LEU 0.365 0.076 18 0 "[ . 1 . 2]"
2 67 VAL 0.788 0.073 3 0 "[ . 1 . 2]"
2 69 CYS 0.412 0.045 13 0 "[ . 1 . 2]"
2 71 ILE 2.862 0.159 17 0 "[ . 1 . 2]"
2 80 HIS 2.759 0.171 16 0 "[ . 1 . 2]"
2 81 THR 0.909 0.083 18 0 "[ . 1 . 2]"
2 82 ALA 0.524 0.064 13 0 "[ . 1 . 2]"
2 83 SER 0.694 0.062 12 0 "[ . 1 . 2]"
2 84 SER 0.711 0.070 3 0 "[ . 1 . 2]"
2 88 ASP 0.940 0.156 4 0 "[ . 1 . 2]"
2 133 THR 0.694 0.062 12 0 "[ . 1 . 2]"
2 135 VAL 0.909 0.083 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 VAL O 1 20 SER H . . 2.000 1.904 1.800 2.048 0.048 20 0 "[ . 1 . 2]" 3
2 1 16 VAL O 1 20 SER N . . 3.000 2.891 2.792 3.032 0.032 20 0 "[ . 1 . 2]" 3
3 1 18 GLU O 1 22 ILE H . . 2.000 2.018 1.972 2.068 0.068 8 0 "[ . 1 . 2]" 3
4 1 18 GLU O 1 22 ILE N . . 3.000 2.992 2.955 3.021 0.021 8 0 "[ . 1 . 2]" 3
5 1 21 ASN O 1 25 GLU H . . 2.000 2.039 2.008 2.068 0.068 13 0 "[ . 1 . 2]" 3
6 1 21 ASN O 1 25 GLU N . . 3.000 3.051 3.021 3.083 0.083 13 0 "[ . 1 . 2]" 3
7 1 23 VAL O 1 27 ILE H . . 2.000 1.936 1.896 1.978 . 0 0 "[ . 1 . 2]" 3
8 1 23 VAL O 1 27 ILE N . . 3.000 2.908 2.867 2.948 . 0 0 "[ . 1 . 2]" 3
9 1 41 VAL O 1 45 THR H . . 2.000 1.870 1.815 1.954 . 0 0 "[ . 1 . 2]" 3
10 1 41 VAL O 1 45 THR N . . 3.000 2.882 2.825 2.971 . 0 0 "[ . 1 . 2]" 3
11 1 42 ASN O 1 46 THR H . . 2.400 2.409 2.264 2.477 0.077 7 0 "[ . 1 . 2]" 3
12 1 42 ASN O 1 46 THR N . . 3.500 3.317 3.185 3.431 . 0 0 "[ . 1 . 2]" 3
13 1 43 GLN O 1 47 ASN H . . 2.300 1.982 1.922 2.045 . 0 0 "[ . 1 . 2]" 3
14 1 43 GLN O 1 47 ASN N . . 3.000 2.949 2.887 3.004 0.004 20 0 "[ . 1 . 2]" 3
15 1 44 TRP O 1 48 VAL H . . 2.000 1.893 1.859 1.928 . 0 0 "[ . 1 . 2]" 3
16 1 44 TRP O 1 48 VAL N . . 3.000 2.882 2.843 2.912 . 0 0 "[ . 1 . 2]" 3
17 1 46 THR O 1 50 GLU H . . 2.400 2.265 2.175 2.332 . 0 0 "[ . 1 . 2]" 3
18 1 46 THR O 1 50 GLU N . . 3.250 3.044 2.967 3.126 . 0 0 "[ . 1 . 2]" 3
19 1 49 VAL O 1 53 LEU H . . 2.000 2.097 2.067 2.116 0.116 13 0 "[ . 1 . 2]" 3
20 1 49 VAL O 1 53 LEU N . . 3.000 3.017 2.995 3.047 0.047 7 0 "[ . 1 . 2]" 3
21 1 51 GLN O 1 55 GLN H . . 2.000 1.943 1.837 2.033 0.033 18 0 "[ . 1 . 2]" 3
22 1 51 GLN O 1 55 GLN N . . 3.000 2.854 2.804 2.928 . 0 0 "[ . 1 . 2]" 3
23 1 53 LEU O 1 57 THR H . . 2.700 2.450 2.334 2.564 . 0 0 "[ . 1 . 2]" 3
24 1 53 LEU O 1 57 THR N . . 3.400 3.365 3.219 3.453 0.053 9 0 "[ . 1 . 2]" 3
25 1 55 GLN O 1 59 LEU H . . 2.300 2.286 2.136 2.345 0.045 17 0 "[ . 1 . 2]" 3
26 1 55 GLN O 1 59 LEU N . . 3.300 3.128 3.007 3.205 . 0 0 "[ . 1 . 2]" 3
27 2 16 VAL O 2 20 SER H . . 2.000 1.902 1.825 2.047 0.047 12 0 "[ . 1 . 2]" 3
28 2 16 VAL O 2 20 SER N . . 3.000 2.886 2.815 3.007 0.007 12 0 "[ . 1 . 2]" 3
29 2 18 GLU O 2 22 ILE H . . 2.000 2.031 1.980 2.071 0.071 8 0 "[ . 1 . 2]" 3
30 2 18 GLU O 2 22 ILE N . . 3.000 3.004 2.947 3.042 0.042 9 0 "[ . 1 . 2]" 3
31 2 21 ASN O 2 25 GLU H . . 2.000 2.041 2.005 2.068 0.068 13 0 "[ . 1 . 2]" 3
32 2 21 ASN O 2 25 GLU N . . 3.000 3.054 3.019 3.083 0.083 13 0 "[ . 1 . 2]" 3
33 2 23 VAL O 2 27 ILE H . . 2.000 1.938 1.906 1.978 . 0 0 "[ . 1 . 2]" 3
34 2 23 VAL O 2 27 ILE N . . 3.000 2.909 2.863 2.962 . 0 0 "[ . 1 . 2]" 3
35 2 41 VAL O 2 45 THR H . . 2.000 1.868 1.805 1.934 . 0 0 "[ . 1 . 2]" 3
36 2 41 VAL O 2 45 THR N . . 3.000 2.881 2.815 2.950 . 0 0 "[ . 1 . 2]" 3
37 2 42 ASN O 2 46 THR H . . 2.400 2.412 2.274 2.480 0.080 7 0 "[ . 1 . 2]" 3
38 2 42 ASN O 2 46 THR N . . 3.500 3.318 3.201 3.431 . 0 0 "[ . 1 . 2]" 3
39 2 43 GLN O 2 47 ASN H . . 2.300 1.974 1.918 2.040 . 0 0 "[ . 1 . 2]" 3
40 2 43 GLN O 2 47 ASN N . . 3.000 2.940 2.879 3.003 0.003 4 0 "[ . 1 . 2]" 3
41 2 44 TRP O 2 48 VAL H . . 2.000 1.897 1.864 1.924 . 0 0 "[ . 1 . 2]" 3
42 2 44 TRP O 2 48 VAL N . . 3.000 2.885 2.850 2.915 . 0 0 "[ . 1 . 2]" 3
43 2 46 THR O 2 50 GLU H . . 2.300 2.235 2.153 2.305 0.005 11 0 "[ . 1 . 2]" 3
44 2 46 THR O 2 50 GLU N . . 3.250 3.020 2.946 3.103 . 0 0 "[ . 1 . 2]" 3
45 2 49 VAL O 2 53 LEU H . . 2.000 2.097 2.076 2.114 0.114 9 0 "[ . 1 . 2]" 3
46 2 49 VAL O 2 53 LEU N . . 3.000 3.017 3.005 3.039 0.039 7 0 "[ . 1 . 2]" 3
47 2 51 GLN O 2 55 GLN H . . 2.000 1.928 1.829 2.024 0.024 18 0 "[ . 1 . 2]" 3
48 2 51 GLN O 2 55 GLN N . . 3.000 2.850 2.789 2.910 . 0 0 "[ . 1 . 2]" 3
49 2 53 LEU O 2 57 THR H . . 2.500 2.453 2.342 2.523 0.023 18 0 "[ . 1 . 2]" 3
50 2 53 LEU O 2 57 THR N . . 3.400 3.369 3.201 3.501 0.101 18 0 "[ . 1 . 2]" 3
51 2 55 GLN O 2 59 LEU H . . 2.300 2.295 2.177 2.376 0.076 18 0 "[ . 1 . 2]" 3
52 2 55 GLN O 2 59 LEU N . . 3.300 3.137 3.018 3.250 . 0 0 "[ . 1 . 2]" 3
53 1 64 LYS QZ 2 88 ASP OD2 . . 2.900 2.765 2.019 2.967 0.067 17 0 "[ . 1 . 2]" 3
54 1 64 LYS NZ 2 88 ASP OD2 . . 3.900 3.728 3.026 4.056 0.156 4 0 "[ . 1 . 2]" 3
55 1 69 CYS H 2 82 ALA O . . 2.000 1.917 1.838 2.029 0.029 11 0 "[ . 1 . 2]" 3
56 1 69 CYS N 2 82 ALA O . . 3.000 2.877 2.817 2.967 . 0 0 "[ . 1 . 2]" 3
57 1 71 ILE H 2 80 HIS O . . 2.000 1.854 1.767 1.993 . 0 0 "[ . 1 . 2]" 3
58 1 71 ILE N 2 80 HIS O . . 3.000 2.817 2.755 2.937 . 0 0 "[ . 1 . 2]" 3
59 1 80 HIS H 2 71 ILE O . . 2.000 2.087 2.001 2.159 0.159 17 0 "[ . 1 . 2]" 3
60 1 80 HIS N 2 71 ILE O . . 3.000 3.051 2.930 3.125 0.125 6 0 "[ . 1 . 2]" 3
61 1 82 ALA H 2 69 CYS O . . 2.000 1.980 1.839 2.045 0.045 13 0 "[ . 1 . 2]" 3
62 1 82 ALA N 2 69 CYS O . . 3.000 2.981 2.845 3.040 0.040 13 0 "[ . 1 . 2]" 3
63 1 84 SER H 2 67 VAL O . . 2.000 2.025 1.922 2.073 0.073 3 0 "[ . 1 . 2]" 3
64 1 84 SER N 2 67 VAL O . . 3.000 2.994 2.938 3.032 0.032 19 0 "[ . 1 . 2]" 3
65 1 82 ALA O 2 69 CYS H . . 2.000 1.909 1.839 2.033 0.033 11 0 "[ . 1 . 2]" 3
66 1 82 ALA O 2 69 CYS N . . 3.000 2.875 2.799 2.930 . 0 0 "[ . 1 . 2]" 3
67 1 80 HIS O 2 71 ILE H . . 2.000 1.838 1.779 2.023 0.023 12 0 "[ . 1 . 2]" 3
68 1 80 HIS O 2 71 ILE N . . 3.000 2.806 2.755 2.967 . 0 0 "[ . 1 . 2]" 3
69 1 71 ILE O 2 80 HIS H . . 2.000 2.090 2.011 2.171 0.171 16 0 "[ . 1 . 2]" 3
70 1 71 ILE O 2 80 HIS N . . 3.000 3.046 2.971 3.108 0.108 14 0 "[ . 1 . 2]" 3
71 1 69 CYS O 2 82 ALA H . . 2.000 1.986 1.836 2.064 0.064 13 0 "[ . 1 . 2]" 3
72 1 69 CYS O 2 82 ALA N . . 3.000 2.989 2.848 3.050 0.050 7 0 "[ . 1 . 2]" 3
73 1 67 VAL O 2 84 SER H . . 2.000 2.019 1.926 2.070 0.070 3 0 "[ . 1 . 2]" 3
74 1 67 VAL O 2 84 SER N . . 3.000 2.990 2.942 3.031 0.031 19 0 "[ . 1 . 2]" 3
75 1 81 THR H 1 135 VAL O . . 2.000 2.022 1.941 2.060 0.060 18 0 "[ . 1 . 2]" 3
76 1 81 THR N 1 135 VAL O . . 3.000 2.933 2.854 3.023 0.023 2 0 "[ . 1 . 2]" 3
77 1 81 THR O 1 135 VAL H . . 2.000 1.892 1.837 1.979 . 0 0 "[ . 1 . 2]" 3
78 1 81 THR O 1 135 VAL N . . 3.000 2.889 2.840 2.967 . 0 0 "[ . 1 . 2]" 3
79 1 83 SER H 1 133 THR O . . 2.000 1.996 1.861 2.051 0.051 12 0 "[ . 1 . 2]" 3
80 1 83 SER N 1 133 THR O . . 3.000 2.930 2.850 3.007 0.007 10 0 "[ . 1 . 2]" 3
81 1 83 SER O 1 133 THR H . . 2.000 1.986 1.880 2.051 0.051 17 0 "[ . 1 . 2]" 3
82 1 83 SER O 1 133 THR N . . 3.000 2.912 2.843 2.994 . 0 0 "[ . 1 . 2]" 3
83 2 81 THR H 2 135 VAL O . . 2.000 2.041 1.990 2.083 0.083 18 0 "[ . 1 . 2]" 3
84 2 81 THR N 2 135 VAL O . . 3.000 2.974 2.902 3.037 0.037 18 0 "[ . 1 . 2]" 3
85 2 81 THR O 2 135 VAL H . . 2.000 1.891 1.828 1.977 . 0 0 "[ . 1 . 2]" 3
86 2 81 THR O 2 135 VAL N . . 3.000 2.900 2.835 2.988 . 0 0 "[ . 1 . 2]" 3
87 2 83 SER H 2 133 THR O . . 2.000 2.015 1.903 2.062 0.062 12 0 "[ . 1 . 2]" 3
88 2 83 SER N 2 133 THR O . . 3.000 2.952 2.870 3.015 0.015 10 0 "[ . 1 . 2]" 3
89 2 83 SER O 2 133 THR H . . 2.000 1.977 1.846 2.062 0.062 17 0 "[ . 1 . 2]" 3
90 2 83 SER O 2 133 THR N . . 3.000 2.905 2.840 2.996 . 0 0 "[ . 1 . 2]" 3
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