NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
444810 |
2khz   |
16258 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2khz
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 1412
_Distance_constraint_stats_list.Viol_count 3508
_Distance_constraint_stats_list.Viol_total 4065.697
_Distance_constraint_stats_list.Viol_max 0.427
_Distance_constraint_stats_list.Viol_rms 0.0403
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0128
_Distance_constraint_stats_list.Viol_average_violations_only 0.0773
_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 6 SER 0.031 0.031 3 0 "[ . 1 .]"
1 7 GLY 0.126 0.043 1 0 "[ . 1 .]"
1 8 GLU 0.102 0.043 1 0 "[ . 1 .]"
1 9 GLN 0.934 0.064 3 0 "[ . 1 .]"
1 10 ALA 1.879 0.074 3 0 "[ . 1 .]"
1 11 PRO 3.486 0.189 1 0 "[ . 1 .]"
1 12 CYS 5.944 0.250 5 0 "[ . 1 .]"
1 13 SER 4.807 0.294 9 0 "[ . 1 .]"
1 14 VAL 4.788 0.279 13 0 "[ . 1 .]"
1 15 TYR 4.774 0.278 9 0 "[ . 1 .]"
1 16 PHE 3.852 0.189 6 0 "[ . 1 .]"
1 17 CYS 0.159 0.061 11 0 "[ . 1 .]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 19 SER 0.147 0.074 1 0 "[ . 1 .]"
1 20 ILE 14.031 0.314 1 0 "[ . 1 .]"
1 21 ARG 0.565 0.093 13 0 "[ . 1 .]"
1 22 GLY 0.769 0.167 5 0 "[ . 1 .]"
1 23 GLY 0.436 0.125 10 0 "[ . 1 .]"
1 24 ARG 3.440 0.314 1 0 "[ . 1 .]"
1 25 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 26 ASP 0.005 0.005 14 0 "[ . 1 .]"
1 27 GLN 3.522 0.253 8 0 "[ . 1 .]"
1 28 ALA 0.367 0.085 14 0 "[ . 1 .]"
1 29 LEU 3.337 0.171 7 0 "[ . 1 .]"
1 30 TYR 6.900 0.271 11 0 "[ . 1 .]"
1 31 ALA 7.381 0.275 5 0 "[ . 1 .]"
1 32 ARG 1.946 0.091 3 0 "[ . 1 .]"
1 33 ILE 4.500 0.148 10 0 "[ . 1 .]"
1 34 VAL 6.889 0.271 11 0 "[ . 1 .]"
1 35 SER 1.210 0.082 10 0 "[ . 1 .]"
1 36 ARG 1.506 0.074 7 0 "[ . 1 .]"
1 37 LEU 3.396 0.276 12 0 "[ . 1 .]"
1 38 ARG 3.149 0.276 12 0 "[ . 1 .]"
1 39 ARG 2.078 0.122 15 0 "[ . 1 .]"
1 40 TYR 6.474 0.232 10 0 "[ . 1 .]"
1 41 GLY 6.383 0.294 9 0 "[ . 1 .]"
1 42 LYS 3.175 0.109 4 0 "[ . 1 .]"
1 43 VAL 2.495 0.189 6 0 "[ . 1 .]"
1 44 LEU 4.566 0.222 15 0 "[ . 1 .]"
1 46 GLU 0.031 0.031 11 0 "[ . 1 .]"
1 47 HIS 0.647 0.073 13 0 "[ . 1 .]"
1 48 VAL 1.605 0.084 3 0 "[ . 1 .]"
1 49 ALA 5.055 0.322 12 0 "[ . 1 .]"
1 50 ASP 3.230 0.242 12 0 "[ . 1 .]"
1 51 ALA 2.755 0.253 8 0 "[ . 1 .]"
1 52 GLU 3.934 0.282 12 0 "[ . 1 .]"
1 53 LEU 5.229 0.322 12 0 "[ . 1 .]"
1 54 GLU 1.182 0.211 8 0 "[ . 1 .]"
1 55 PRO 0.554 0.103 8 0 "[ . 1 .]"
1 56 LEU 3.323 0.212 4 0 "[ . 1 .]"
1 57 GLY 0.993 0.120 11 0 "[ . 1 .]"
1 58 GLU 1.411 0.120 11 0 "[ . 1 .]"
1 59 GLU 0.655 0.064 6 0 "[ . 1 .]"
1 60 ALA 1.581 0.146 10 0 "[ . 1 .]"
1 61 ALA 0.276 0.109 12 0 "[ . 1 .]"
1 62 GLY 1.732 0.372 12 0 "[ . 1 .]"
1 63 GLY 1.786 0.128 10 0 "[ . 1 .]"
1 64 ASP 2.889 0.140 13 0 "[ . 1 .]"
1 65 GLN 3.398 0.128 10 0 "[ . 1 .]"
1 66 PHE 2.317 0.372 12 0 "[ . 1 .]"
1 67 ILE 6.193 0.236 13 0 "[ . 1 .]"
1 68 HIS 1.993 0.340 12 0 "[ . 1 .]"
1 69 GLU 0.379 0.087 1 0 "[ . 1 .]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 .]"
1 71 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 72 LEU 16.037 0.392 15 0 "[ . 1 .]"
1 73 ASN 2.240 0.131 15 0 "[ . 1 .]"
1 74 TRP 4.087 0.278 9 0 "[ . 1 .]"
1 75 LEU 1.784 0.133 15 0 "[ . 1 .]"
1 76 GLN 6.870 0.290 11 0 "[ . 1 .]"
1 77 GLN 3.352 0.195 15 0 "[ . 1 .]"
1 78 ALA 5.271 0.290 11 0 "[ . 1 .]"
1 79 ASP 1.570 0.139 10 0 "[ . 1 .]"
1 80 VAL 4.110 0.238 15 0 "[ . 1 .]"
1 81 VAL 3.611 0.279 13 0 "[ . 1 .]"
1 82 VAL 0.189 0.052 3 0 "[ . 1 .]"
1 83 ALA 1.929 0.223 15 0 "[ . 1 .]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 85 VAL 1.246 0.125 12 0 "[ . 1 .]"
1 86 THR 4.261 0.235 4 0 "[ . 1 .]"
1 87 GLN 0.578 0.194 15 0 "[ . 1 .]"
1 88 PRO 1.162 0.313 15 0 "[ . 1 .]"
1 89 SER 4.340 0.338 5 0 "[ . 1 .]"
1 90 LEU 1.230 0.152 14 0 "[ . 1 .]"
1 91 GLY 0.410 0.109 5 0 "[ . 1 .]"
1 92 VAL 2.533 0.238 6 0 "[ . 1 .]"
1 93 GLY 2.290 0.338 5 0 "[ . 1 .]"
1 94 TYR 3.164 0.214 5 0 "[ . 1 .]"
1 95 GLU 0.453 0.074 10 0 "[ . 1 .]"
1 96 LEU 0.410 0.106 15 0 "[ . 1 .]"
1 97 GLY 0.390 0.079 8 0 "[ . 1 .]"
1 98 ARG 0.762 0.067 6 0 "[ . 1 .]"
1 99 ALA 5.787 0.417 10 0 "[ . 1 .]"
1 100 VAL 6.674 0.301 5 0 "[ . 1 .]"
1 101 ALA 8.860 0.308 5 0 "[ . 1 .]"
1 102 LEU 6.850 0.427 2 0 "[ . 1 .]"
1 103 GLY 1.809 0.355 14 0 "[ . 1 .]"
1 104 LYS 6.408 0.427 2 0 "[ . 1 .]"
1 105 PRO 0.523 0.189 4 0 "[ . 1 .]"
1 106 ILE 0.869 0.124 1 0 "[ . 1 .]"
1 107 LEU 1.419 0.103 12 0 "[ . 1 .]"
1 108 CYS 2.544 0.201 11 0 "[ . 1 .]"
1 109 LEU 1.122 0.125 8 0 "[ . 1 .]"
1 110 PHE 13.623 0.415 2 0 "[ . 1 .]"
1 111 ARG 1.186 0.228 4 0 "[ . 1 .]"
1 112 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 113 GLN 1.863 0.246 4 0 "[ . 1 .]"
1 114 SER 0.807 0.152 14 0 "[ . 1 .]"
1 115 GLY 0.348 0.074 8 0 "[ . 1 .]"
1 116 ARG 6.964 0.415 2 0 "[ . 1 .]"
1 117 VAL 5.634 0.225 2 0 "[ . 1 .]"
1 118 LEU 3.770 0.202 4 0 "[ . 1 .]"
1 119 SER 0.419 0.093 2 0 "[ . 1 .]"
1 120 ALA 7.649 0.325 12 0 "[ . 1 .]"
1 121 MET 6.989 0.332 12 0 "[ . 1 .]"
1 122 ILE 3.648 0.147 14 0 "[ . 1 .]"
1 123 ARG 4.753 0.306 13 0 "[ . 1 .]"
1 124 GLY 1.938 0.147 12 0 "[ . 1 .]"
1 125 ALA 2.793 0.414 15 0 "[ . 1 .]"
1 126 ALA 11.163 0.414 15 0 "[ . 1 .]"
1 127 ASP 0.880 0.406 10 0 "[ . 1 .]"
1 128 GLY 4.264 0.299 6 0 "[ . 1 .]"
1 129 SER 2.605 0.325 8 0 "[ . 1 .]"
1 130 ARG 3.789 0.325 8 0 "[ . 1 .]"
1 131 PHE 10.074 0.406 10 0 "[ . 1 .]"
1 132 GLN 2.500 0.170 10 0 "[ . 1 .]"
1 133 VAL 6.619 0.335 10 0 "[ . 1 .]"
1 134 TRP 17.171 0.354 7 0 "[ . 1 .]"
1 135 ASP 3.874 0.354 7 0 "[ . 1 .]"
1 136 TYR 5.017 0.238 7 0 "[ . 1 .]"
1 137 ALA 0.916 0.246 7 0 "[ . 1 .]"
1 138 GLU 2.334 0.238 7 0 "[ . 1 .]"
1 139 GLY 0.019 0.010 4 0 "[ . 1 .]"
1 140 GLU 1.839 0.246 7 0 "[ . 1 .]"
1 141 VAL 5.538 0.169 8 0 "[ . 1 .]"
1 142 GLU 2.712 0.148 9 0 "[ . 1 .]"
1 143 THR 2.165 0.158 1 0 "[ . 1 .]"
1 144 MET 9.116 0.220 15 0 "[ . 1 .]"
1 145 LEU 2.353 0.125 1 0 "[ . 1 .]"
1 146 ASP 4.254 0.223 13 0 "[ . 1 .]"
1 147 ARG 5.102 0.322 13 0 "[ . 1 .]"
1 148 TYR 9.504 0.258 7 0 "[ . 1 .]"
1 149 PHE 4.647 0.222 11 0 "[ . 1 .]"
1 150 GLU 1.716 0.142 7 0 "[ . 1 .]"
1 151 ALA 3.302 0.289 10 0 "[ . 1 .]"
1 152 TYR 5.216 0.289 10 0 "[ . 1 .]"
1 153 LEU 8.990 0.232 10 0 "[ . 1 .]"
1 154 PRO 0.855 0.222 9 0 "[ . 1 .]"
1 155 GLN 0.212 0.060 1 0 "[ . 1 .]"
1 156 LYS 1.061 0.121 10 0 "[ . 1 .]"
1 157 THR 0.154 0.052 10 0 "[ . 1 .]"
1 159 SER 0.055 0.034 8 0 "[ . 1 .]"
1 162 HIS 0.002 0.002 3 0 "[ . 1 .]"
1 163 PRO 0.002 0.002 3 0 "[ . 1 .]"
2 20 ILE 3.548 0.273 1 0 "[ . 1 .]"
2 21 ARG 0.018 0.018 4 0 "[ . 1 .]"
2 57 GLY 0.384 0.140 14 0 "[ . 1 .]"
2 58 GLU 0.036 0.036 14 0 "[ . 1 .]"
2 59 GLU 0.309 0.093 12 0 "[ . 1 .]"
2 64 ASP 0.157 0.054 6 0 "[ . 1 .]"
2 65 GLN 1.102 0.123 13 0 "[ . 1 .]"
2 67 ILE 1.066 0.116 3 0 "[ . 1 .]"
2 68 HIS 0.928 0.332 12 0 "[ . 1 .]"
2 72 LEU 10.555 0.396 15 0 "[ . 1 .]"
2 75 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 85 VAL 0.159 0.101 14 0 "[ . 1 .]"
2 88 PRO 0.135 0.047 15 0 "[ . 1 .]"
2 89 SER 0.191 0.091 3 0 "[ . 1 .]"
2 90 LEU 0.995 0.147 14 0 "[ . 1 .]"
2 91 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 92 VAL 0.109 0.089 11 0 "[ . 1 .]"
2 93 GLY 0.000 0.000 . 0 "[ . 1 .]"
2 94 TYR 1.004 0.101 2 0 "[ . 1 .]"
2 95 GLU 0.070 0.063 10 0 "[ . 1 .]"
2 96 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 97 GLY 0.156 0.055 12 0 "[ . 1 .]"
2 98 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 100 VAL 3.176 0.308 5 0 "[ . 1 .]"
2 101 ALA 6.834 0.301 5 0 "[ . 1 .]"
2 102 LEU 0.000 0.000 . 0 "[ . 1 .]"
2 117 VAL 0.685 0.107 14 0 "[ . 1 .]"
2 118 LEU 0.144 0.067 3 0 "[ . 1 .]"
2 119 SER 0.000 0.000 . 0 "[ . 1 .]"
2 120 ALA 5.145 0.326 12 0 "[ . 1 .]"
2 121 MET 6.004 0.340 12 0 "[ . 1 .]"
2 122 ILE 0.369 0.152 14 0 "[ . 1 .]"
2 124 GLY 0.893 0.157 12 0 "[ . 1 .]"
2 125 ALA 0.377 0.143 12 0 "[ . 1 .]"
2 126 ALA 3.550 0.392 15 0 "[ . 1 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 SER HA 1 7 GLY H 3.500 . 3.500 2.649 2.256 3.531 0.031 3 0 "[ . 1 .]" 1
2 1 7 GLY QA 1 8 GLU H 2.700 . 2.700 2.432 2.220 2.743 0.043 1 0 "[ . 1 .]" 1
3 1 8 GLU HA 1 9 GLN H 2.700 . 2.700 2.292 2.201 2.485 . 0 0 "[ . 1 .]" 1
4 1 8 GLU QB 1 10 ALA MB 6.000 . 6.500 5.546 4.086 6.506 0.006 6 0 "[ . 1 .]" 1
5 1 9 GLN HA 1 10 ALA H 3.500 . 3.500 2.803 2.562 3.564 0.064 3 0 "[ . 1 .]" 1
6 1 9 GLN HB2 1 10 ALA H 3.500 . 3.500 3.104 2.001 3.549 0.049 2 0 "[ . 1 .]" 1
7 1 9 GLN HB3 1 10 ALA H 3.500 . 3.500 2.484 1.836 3.554 0.054 7 0 "[ . 1 .]" 1
8 1 9 GLN QG 1 10 ALA H 3.500 . 3.500 3.456 2.906 3.552 0.052 10 0 "[ . 1 .]" 1
9 1 10 ALA H 1 11 PRO QD 5.000 . 5.000 4.327 3.914 4.432 . 0 0 "[ . 1 .]" 1
10 1 10 ALA HA 1 11 PRO HD2 2.700 . 2.700 2.579 2.298 2.774 0.074 3 0 "[ . 1 .]" 1
11 1 10 ALA HA 1 11 PRO HD3 2.700 . 2.700 2.156 1.993 2.302 . 0 0 "[ . 1 .]" 1
12 1 10 ALA HA 1 42 LYS QE 6.000 . 6.000 5.932 5.539 6.047 0.047 4 0 "[ . 1 .]" 1
13 1 10 ALA MB 1 12 CYS HA 5.000 . 5.500 5.101 4.990 5.244 . 0 0 "[ . 1 .]" 1
14 1 10 ALA MB 1 42 LYS QB 5.000 . 5.500 5.360 4.683 5.559 0.059 9 0 "[ . 1 .]" 1
15 1 10 ALA MB 1 42 LYS QD 5.000 . 5.500 3.550 2.878 4.423 . 0 0 "[ . 1 .]" 1
16 1 10 ALA MB 1 42 LYS QE 3.500 . 4.000 3.646 3.171 3.937 . 0 0 "[ . 1 .]" 1
17 1 10 ALA MB 1 42 LYS QG 5.000 . 5.500 4.216 3.728 5.517 0.017 7 0 "[ . 1 .]" 1
18 1 10 ALA MB 1 156 LYS QE 5.000 . 5.500 5.420 4.855 5.547 0.047 13 0 "[ . 1 .]" 1
19 1 11 PRO HA 1 12 CYS H 2.700 . 2.700 2.720 2.352 2.889 0.189 1 0 "[ . 1 .]" 1
20 1 11 PRO HA 1 42 LYS QE 6.000 . 6.000 5.940 5.494 6.050 0.050 5 0 "[ . 1 .]" 1
21 1 11 PRO HA 1 153 LEU MD1 6.000 . 6.500 6.171 5.189 6.513 0.013 8 0 "[ . 1 .]" 1
22 1 11 PRO HA 1 153 LEU MD2 5.000 . 5.500 4.478 3.521 5.242 . 0 0 "[ . 1 .]" 1
23 1 11 PRO HA 1 156 LYS QE 5.000 . 5.000 2.860 2.298 3.924 . 0 0 "[ . 1 .]" 1
24 1 11 PRO QB 1 12 CYS H 3.500 . 3.500 2.165 1.763 2.908 0.037 6 0 "[ . 1 .]" 1
25 1 11 PRO QB 1 41 GLY QA 5.000 . 5.000 2.463 1.938 3.810 . 0 0 "[ . 1 .]" 1
26 1 11 PRO QB 1 42 LYS QE 5.000 . 5.000 4.645 4.147 5.056 0.056 12 0 "[ . 1 .]" 1
27 1 11 PRO QB 1 153 LEU MD1 5.000 . 5.500 4.800 3.835 5.362 . 0 0 "[ . 1 .]" 1
28 1 11 PRO QB 1 153 LEU MD2 6.000 . 6.500 3.899 2.749 4.887 . 0 0 "[ . 1 .]" 1
29 1 11 PRO QD 1 12 CYS H 5.000 . 5.000 4.704 4.485 5.034 0.034 13 0 "[ . 1 .]" 1
30 1 11 PRO QD 1 42 LYS H 5.000 . 5.000 5.003 4.527 5.097 0.097 9 0 "[ . 1 .]" 1
31 1 11 PRO QD 1 42 LYS QE 5.000 . 5.000 4.160 3.735 4.474 . 0 0 "[ . 1 .]" 1
32 1 11 PRO QG 1 42 LYS QE 5.000 . 5.000 4.406 3.597 5.062 0.062 14 0 "[ . 1 .]" 1
33 1 12 CYS H 1 41 GLY H 5.000 . 5.000 5.060 4.385 5.250 0.250 5 0 "[ . 1 .]" 1
34 1 12 CYS H 1 41 GLY QA 5.000 . 5.000 3.212 2.535 4.848 . 0 0 "[ . 1 .]" 1
35 1 12 CYS H 1 42 LYS H 5.000 . 5.000 4.375 3.907 5.032 0.032 10 0 "[ . 1 .]" 1
36 1 12 CYS HA 1 13 SER H 2.700 . 2.700 2.627 2.563 2.693 . 0 0 "[ . 1 .]" 1
37 1 12 CYS HA 1 79 ASP QB 5.000 . 5.000 3.438 3.262 3.708 . 0 0 "[ . 1 .]" 1
38 1 12 CYS HA 1 80 VAL MG2 5.000 . 5.500 4.655 4.237 5.052 . 0 0 "[ . 1 .]" 1
39 1 12 CYS HA 1 156 LYS QE 3.500 . 3.500 3.438 3.060 3.538 0.038 3 0 "[ . 1 .]" 1
40 1 12 CYS QB 1 41 GLY QA 5.000 . 5.000 4.270 3.442 4.696 . 0 0 "[ . 1 .]" 1
41 1 12 CYS QB 1 79 ASP HA 5.000 . 5.000 5.103 5.067 5.139 0.139 10 0 "[ . 1 .]" 1
42 1 12 CYS QB 1 80 VAL MG1 6.000 . 6.500 4.687 3.719 4.942 . 0 0 "[ . 1 .]" 1
43 1 12 CYS QB 1 80 VAL MG2 3.500 . 4.000 2.512 1.993 2.878 . 0 0 "[ . 1 .]" 1
44 1 12 CYS QB 1 153 LEU MD1 6.000 . 6.500 4.982 4.007 5.633 . 0 0 "[ . 1 .]" 1
45 1 12 CYS QB 1 153 LEU MD2 3.500 . 4.000 3.631 3.176 4.028 0.028 5 0 "[ . 1 .]" 1
46 1 12 CYS QB 1 156 LYS QE 5.000 . 5.000 2.471 2.052 3.501 . 0 0 "[ . 1 .]" 1
47 1 13 SER H 1 79 ASP H 5.000 . 5.000 3.356 3.003 3.694 . 0 0 "[ . 1 .]" 1
48 1 13 SER H 1 80 VAL H 3.500 . 3.500 3.575 3.526 3.620 0.120 15 0 "[ . 1 .]" 1
49 1 13 SER H 1 80 VAL MG2 6.000 . 6.500 3.444 3.131 3.809 . 0 0 "[ . 1 .]" 1
50 1 13 SER HA 1 14 VAL H 2.700 . 2.700 2.287 2.147 2.375 . 0 0 "[ . 1 .]" 1
51 1 13 SER HA 1 41 GLY H 5.000 . 5.000 5.203 5.094 5.294 0.294 9 0 "[ . 1 .]" 1
52 1 13 SER HA 1 42 LYS H 3.500 . 3.500 2.328 1.781 3.260 0.019 4 0 "[ . 1 .]" 1
53 1 13 SER HA 1 42 LYS QB 3.500 . 3.500 2.570 2.014 3.582 0.082 15 0 "[ . 1 .]" 1
54 1 13 SER HA 1 42 LYS QD 5.000 . 5.000 4.670 2.446 5.037 0.037 9 0 "[ . 1 .]" 1
55 1 13 SER HA 1 42 LYS QE 6.000 . 6.000 3.408 2.858 3.742 . 0 0 "[ . 1 .]" 1
56 1 13 SER HA 1 42 LYS QG 5.000 . 5.000 3.703 2.222 4.284 . 0 0 "[ . 1 .]" 1
57 1 13 SER HA 1 44 LEU MD1 5.000 . 5.500 4.961 4.316 5.722 0.222 15 0 "[ . 1 .]" 1
58 1 13 SER HA 1 44 LEU MD2 6.000 . 6.500 4.086 3.821 4.579 . 0 0 "[ . 1 .]" 1
59 1 13 SER HA 1 79 ASP H 5.000 . 5.000 4.711 4.444 4.990 . 0 0 "[ . 1 .]" 1
60 1 13 SER QB 1 42 LYS H 5.000 . 5.000 4.066 3.341 4.932 . 0 0 "[ . 1 .]" 1
61 1 13 SER QB 1 42 LYS QB 5.000 . 5.000 2.816 2.371 3.814 . 0 0 "[ . 1 .]" 1
62 1 13 SER QB 1 42 LYS QD 6.000 . 6.000 4.342 3.568 5.269 . 0 0 "[ . 1 .]" 1
63 1 13 SER QB 1 42 LYS QE 5.000 . 5.000 2.826 2.183 3.515 . 0 0 "[ . 1 .]" 1
64 1 13 SER QB 1 44 LEU MD1 3.500 . 4.000 2.790 2.131 3.796 . 0 0 "[ . 1 .]" 1
65 1 13 SER QB 1 44 LEU MD2 5.000 . 5.500 2.436 1.885 3.007 . 0 0 "[ . 1 .]" 1
66 1 13 SER QB 1 44 LEU HG 5.000 . 5.000 2.763 2.250 3.815 . 0 0 "[ . 1 .]" 1
67 1 13 SER QB 1 78 ALA HA 5.000 . 5.000 2.930 2.451 3.387 . 0 0 "[ . 1 .]" 1
68 1 13 SER QB 1 78 ALA MB 3.500 . 4.000 3.797 3.463 4.029 0.029 12 0 "[ . 1 .]" 1
69 1 14 VAL H 1 14 VAL MG2 2.700 . 3.200 2.584 1.910 3.248 0.048 7 0 "[ . 1 .]" 1
70 1 14 VAL H 1 42 LYS H 5.000 . 5.000 3.812 3.218 4.665 . 0 0 "[ . 1 .]" 1
71 1 14 VAL H 1 43 VAL HA 5.000 . 5.000 2.940 2.470 3.723 . 0 0 "[ . 1 .]" 1
72 1 14 VAL H 1 43 VAL MG1 5.000 . 5.500 4.874 4.297 5.562 0.062 10 0 "[ . 1 .]" 1
73 1 14 VAL H 1 81 VAL QG 5.000 . 5.500 5.718 5.639 5.779 0.279 13 0 "[ . 1 .]" 1
74 1 14 VAL HA 1 15 TYR H 2.700 . 2.700 2.187 2.160 2.210 . 0 0 "[ . 1 .]" 1
75 1 14 VAL HA 1 78 ALA MB 5.000 . 5.500 3.756 3.457 4.210 . 0 0 "[ . 1 .]" 1
76 1 14 VAL HA 1 80 VAL H 3.500 . 3.500 3.130 2.951 3.502 0.002 11 0 "[ . 1 .]" 1
77 1 14 VAL HA 1 80 VAL HB 5.000 . 5.000 2.516 2.357 2.658 . 0 0 "[ . 1 .]" 1
78 1 14 VAL HB 1 43 VAL MG1 5.000 . 5.500 4.425 3.670 5.382 . 0 0 "[ . 1 .]" 1
79 1 14 VAL HB 1 43 VAL MG2 5.000 . 5.500 2.990 2.319 3.967 . 0 0 "[ . 1 .]" 1
80 1 14 VAL MG1 1 15 TYR H 3.500 . 4.000 2.595 2.346 3.356 . 0 0 "[ . 1 .]" 1
81 1 14 VAL MG1 1 37 LEU MD1 3.500 . 4.500 2.664 2.195 4.130 . 0 0 "[ . 1 .]" 1
82 1 14 VAL MG1 1 37 LEU MD2 5.000 . 6.000 2.055 1.875 2.307 . 0 0 "[ . 1 .]" 1
83 1 14 VAL MG1 1 41 GLY H 5.000 . 5.500 5.479 4.726 5.764 0.264 12 0 "[ . 1 .]" 1
84 1 14 VAL MG1 1 43 VAL MG2 6.000 . 7.000 3.639 3.090 4.680 . 0 0 "[ . 1 .]" 1
85 1 14 VAL MG1 1 80 VAL MG1 3.500 . 4.500 2.566 2.006 3.526 . 0 0 "[ . 1 .]" 1
86 1 14 VAL MG1 1 82 VAL H 5.000 . 5.500 3.153 2.610 4.185 . 0 0 "[ . 1 .]" 1
87 1 14 VAL MG1 1 149 PHE QD 5.000 . 5.500 5.398 4.652 5.556 0.056 4 0 "[ . 1 .]" 1
88 1 14 VAL MG1 1 149 PHE QE 3.500 . 4.000 3.589 2.915 3.759 . 0 0 "[ . 1 .]" 1
89 1 14 VAL MG1 1 149 PHE HZ 3.500 . 4.000 2.646 2.008 3.016 . 0 0 "[ . 1 .]" 1
90 1 14 VAL MG2 1 37 LEU HA 6.000 . 6.500 3.599 3.010 4.688 . 0 0 "[ . 1 .]" 1
91 1 14 VAL MG2 1 37 LEU MD1 5.000 . 6.000 4.243 3.731 5.117 . 0 0 "[ . 1 .]" 1
92 1 14 VAL MG2 1 37 LEU MD2 5.000 . 6.000 2.886 2.076 3.407 . 0 0 "[ . 1 .]" 1
93 1 14 VAL MG2 1 41 GLY H 3.500 . 4.000 3.430 2.697 4.140 0.140 13 0 "[ . 1 .]" 1
94 1 14 VAL MG2 1 42 LYS H 5.000 . 5.500 3.789 3.432 4.564 . 0 0 "[ . 1 .]" 1
95 1 14 VAL MG2 1 43 VAL MG2 6.000 . 7.000 3.694 2.762 4.918 . 0 0 "[ . 1 .]" 1
96 1 14 VAL MG2 1 80 VAL H 5.000 . 5.500 4.238 3.709 5.194 . 0 0 "[ . 1 .]" 1
97 1 14 VAL MG2 1 80 VAL HB 3.500 . 4.000 2.440 1.975 3.923 . 0 0 "[ . 1 .]" 1
98 1 14 VAL MG2 1 149 PHE QD 5.000 . 5.500 4.975 4.486 5.399 . 0 0 "[ . 1 .]" 1
99 1 14 VAL MG2 1 149 PHE QE 3.500 . 4.000 3.317 2.696 3.696 . 0 0 "[ . 1 .]" 1
100 1 14 VAL MG2 1 149 PHE HZ 3.500 . 4.000 2.594 2.015 2.971 . 0 0 "[ . 1 .]" 1
101 1 15 TYR H 1 78 ALA MB 3.500 . 4.000 3.052 2.780 3.329 . 0 0 "[ . 1 .]" 1
102 1 15 TYR H 1 80 VAL H 5.000 . 5.000 4.098 3.931 4.301 . 0 0 "[ . 1 .]" 1
103 1 15 TYR H 1 80 VAL MG1 5.000 . 5.500 4.005 3.547 4.313 . 0 0 "[ . 1 .]" 1
104 1 15 TYR H 1 80 VAL MG2 5.000 . 5.500 5.442 5.295 5.579 0.079 7 0 "[ . 1 .]" 1
105 1 15 TYR H 1 81 VAL HA 3.500 . 3.500 1.944 1.739 2.082 0.061 13 0 "[ . 1 .]" 1
106 1 15 TYR H 1 81 VAL MG2 5.000 . 5.500 2.774 2.588 2.983 . 0 0 "[ . 1 .]" 1
107 1 15 TYR H 1 82 VAL H 5.000 . 5.000 3.235 2.918 3.428 . 0 0 "[ . 1 .]" 1
108 1 15 TYR QB 1 78 ALA MB 3.500 . 4.000 1.930 1.871 1.987 . 0 0 "[ . 1 .]" 1
109 1 15 TYR QD 1 17 CYS HG 5.000 . 5.000 3.559 1.844 5.061 0.061 11 0 "[ . 1 .]" 1
110 1 15 TYR QD 1 44 LEU MD1 3.500 . 4.000 2.599 2.282 3.889 . 0 0 "[ . 1 .]" 1
111 1 15 TYR QD 1 44 LEU MD2 5.000 . 5.500 4.664 4.463 4.825 . 0 0 "[ . 1 .]" 1
112 1 15 TYR QD 1 74 TRP HE3 6.000 . 6.000 5.895 5.641 6.075 0.075 12 0 "[ . 1 .]" 1
113 1 15 TYR QD 1 75 LEU HA 3.500 . 3.500 2.405 2.302 2.622 . 0 0 "[ . 1 .]" 1
114 1 15 TYR QD 1 75 LEU MD1 3.500 . 4.000 2.676 2.322 3.102 . 0 0 "[ . 1 .]" 1
115 1 15 TYR QD 1 77 GLN H 5.000 . 5.000 5.110 5.014 5.195 0.195 15 0 "[ . 1 .]" 1
116 1 15 TYR QD 1 78 ALA H 5.000 . 5.000 4.437 4.220 4.708 . 0 0 "[ . 1 .]" 1
117 1 15 TYR QD 1 78 ALA MB 3.500 . 4.000 2.693 2.340 3.130 . 0 0 "[ . 1 .]" 1
118 1 15 TYR QD 1 81 VAL MG1 3.500 . 4.000 2.837 2.416 3.291 . 0 0 "[ . 1 .]" 1
119 1 15 TYR QD 1 83 ALA MB 5.000 . 5.500 4.856 4.574 5.178 . 0 0 "[ . 1 .]" 1
120 1 15 TYR QE 1 44 LEU MD1 3.500 . 4.000 4.056 3.950 4.127 0.127 15 0 "[ . 1 .]" 1
121 1 15 TYR QE 1 71 ASP HA 6.000 . 6.000 2.722 2.282 3.184 . 0 0 "[ . 1 .]" 1
122 1 15 TYR QE 1 74 TRP H 5.000 . 5.000 3.789 3.434 4.182 . 0 0 "[ . 1 .]" 1
123 1 15 TYR QE 1 74 TRP HE3 5.000 . 5.000 4.479 4.083 5.278 0.278 9 0 "[ . 1 .]" 1
124 1 15 TYR QE 1 75 LEU HA 5.000 . 5.000 3.355 2.853 3.769 . 0 0 "[ . 1 .]" 1
125 1 15 TYR QE 1 75 LEU MD1 5.000 . 5.500 2.933 2.520 3.571 . 0 0 "[ . 1 .]" 1
126 1 15 TYR QE 1 78 ALA MB 5.000 . 5.500 4.525 4.120 4.890 . 0 0 "[ . 1 .]" 1
127 1 15 TYR QE 1 81 VAL MG1 5.000 . 5.500 4.544 4.006 5.013 . 0 0 "[ . 1 .]" 1
128 1 15 TYR QE 1 83 ALA MB 5.000 . 5.500 5.581 5.484 5.723 0.223 15 0 "[ . 1 .]" 1
129 1 16 PHE HA 1 17 CYS H 2.700 . 2.700 2.193 2.164 2.217 . 0 0 "[ . 1 .]" 1
130 1 16 PHE HA 1 37 LEU MD1 5.000 . 5.500 3.740 3.353 4.255 . 0 0 "[ . 1 .]" 1
131 1 16 PHE HA 1 43 VAL MG1 5.000 . 5.500 5.216 4.636 5.604 0.104 9 0 "[ . 1 .]" 1
132 1 16 PHE HA 1 81 VAL HA 6.000 . 6.000 4.836 4.268 5.242 . 0 0 "[ . 1 .]" 1
133 1 16 PHE HA 1 81 VAL MG1 6.000 . 6.500 4.122 3.853 4.640 . 0 0 "[ . 1 .]" 1
134 1 16 PHE HA 1 82 VAL H 5.000 . 5.000 3.171 2.510 3.664 . 0 0 "[ . 1 .]" 1
135 1 16 PHE HA 1 82 VAL HB 5.000 . 5.000 3.246 2.562 4.020 . 0 0 "[ . 1 .]" 1
136 1 16 PHE HA 1 82 VAL MG1 5.000 . 5.500 4.209 3.643 4.921 . 0 0 "[ . 1 .]" 1
137 1 16 PHE HA 1 82 VAL MG2 5.000 . 5.500 4.526 3.877 5.137 . 0 0 "[ . 1 .]" 1
138 1 16 PHE HA 1 83 ALA HA 6.000 . 6.000 3.809 3.201 4.366 . 0 0 "[ . 1 .]" 1
139 1 16 PHE QB 1 43 VAL MG1 3.500 . 4.000 3.159 2.443 3.788 . 0 0 "[ . 1 .]" 1
140 1 16 PHE QD 1 33 ILE MD 5.000 . 5.500 4.745 3.578 5.518 0.018 4 0 "[ . 1 .]" 1
141 1 16 PHE QD 1 33 ILE MG 3.500 . 4.000 3.345 2.974 3.767 . 0 0 "[ . 1 .]" 1
142 1 16 PHE QD 1 34 VAL H 5.000 . 5.000 4.849 4.346 5.127 0.127 7 0 "[ . 1 .]" 1
143 1 16 PHE QD 1 34 VAL HA 5.000 . 5.000 3.627 2.920 4.297 . 0 0 "[ . 1 .]" 1
144 1 16 PHE QD 1 34 VAL MG2 3.500 . 4.000 2.229 2.040 2.659 . 0 0 "[ . 1 .]" 1
145 1 16 PHE QD 1 37 LEU MD1 5.000 . 5.500 2.650 2.008 3.382 . 0 0 "[ . 1 .]" 1
146 1 16 PHE QD 1 43 VAL MG1 5.000 . 5.500 3.479 2.855 3.957 . 0 0 "[ . 1 .]" 1
147 1 16 PHE QD 1 43 VAL MG2 5.000 . 5.500 4.047 3.895 4.237 . 0 0 "[ . 1 .]" 1
148 1 16 PHE QD 1 48 VAL MG1 5.000 . 5.500 3.209 2.225 4.544 . 0 0 "[ . 1 .]" 1
149 1 16 PHE QD 1 48 VAL MG2 5.000 . 5.500 3.455 2.168 4.965 . 0 0 "[ . 1 .]" 1
150 1 16 PHE QD 1 82 VAL H 6.000 . 6.000 5.530 4.894 5.833 . 0 0 "[ . 1 .]" 1
151 1 16 PHE QD 1 83 ALA HA 5.000 . 5.000 4.084 2.926 5.036 0.036 11 0 "[ . 1 .]" 1
152 1 16 PHE QE 1 30 TYR QD 5.000 . 5.000 3.050 2.638 3.351 . 0 0 "[ . 1 .]" 1
153 1 16 PHE QE 1 33 ILE MD 5.000 . 5.500 3.768 2.954 4.463 . 0 0 "[ . 1 .]" 1
154 1 16 PHE QE 1 33 ILE MG 3.500 . 4.000 2.959 2.013 4.083 0.083 8 0 "[ . 1 .]" 1
155 1 16 PHE QE 1 34 VAL H 5.000 . 5.000 4.339 3.409 5.041 0.041 15 0 "[ . 1 .]" 1
156 1 16 PHE QE 1 34 VAL MG2 3.500 . 4.000 2.311 1.975 2.800 . 0 0 "[ . 1 .]" 1
157 1 16 PHE QE 1 37 LEU MD1 5.000 . 5.500 3.717 2.439 4.739 . 0 0 "[ . 1 .]" 1
158 1 16 PHE QE 1 43 VAL MG1 5.000 . 5.500 4.961 3.918 5.596 0.096 5 0 "[ . 1 .]" 1
159 1 16 PHE QE 1 43 VAL MG2 5.000 . 5.500 5.584 5.518 5.689 0.189 6 0 "[ . 1 .]" 1
160 1 16 PHE QE 1 48 VAL MG1 5.000 . 5.500 2.539 2.041 3.469 . 0 0 "[ . 1 .]" 1
161 1 16 PHE QE 1 83 ALA HA 5.000 . 5.000 4.911 4.546 5.064 0.064 13 0 "[ . 1 .]" 1
162 1 16 PHE HZ 1 20 ILE MD 6.000 . 6.500 5.925 4.234 6.678 0.178 11 0 "[ . 1 .]" 1
163 1 16 PHE HZ 1 30 TYR QD 5.000 . 5.000 2.572 2.235 2.977 . 0 0 "[ . 1 .]" 1
164 1 16 PHE HZ 1 30 TYR QE 5.000 . 5.000 3.547 3.162 4.000 . 0 0 "[ . 1 .]" 1
165 1 16 PHE HZ 1 33 ILE MD 5.000 . 5.500 4.252 2.848 5.517 0.017 15 0 "[ . 1 .]" 1
166 1 16 PHE HZ 1 33 ILE MG 5.000 . 5.500 4.085 3.062 5.112 . 0 0 "[ . 1 .]" 1
167 1 16 PHE HZ 1 34 VAL MG2 6.000 . 6.500 3.543 3.283 3.833 . 0 0 "[ . 1 .]" 1
168 1 16 PHE HZ 1 48 VAL MG1 6.000 . 6.500 3.161 2.021 4.388 . 0 0 "[ . 1 .]" 1
169 1 17 CYS H 1 82 VAL MG1 5.000 . 5.500 4.534 4.230 4.750 . 0 0 "[ . 1 .]" 1
170 1 17 CYS H 1 83 ALA HA 5.000 . 5.000 2.211 1.789 2.560 0.011 15 0 "[ . 1 .]" 1
171 1 17 CYS QB 1 92 VAL MG2 5.000 . 5.500 3.872 2.692 5.529 0.029 5 0 "[ . 1 .]" 1
172 1 18 GLY QA 1 19 SER H 2.700 . 2.700 2.292 2.151 2.397 . 0 0 "[ . 1 .]" 1
173 1 18 GLY QA 1 92 VAL MG2 3.500 . 4.000 2.361 1.916 3.540 . 0 0 "[ . 1 .]" 1
174 1 19 SER H 1 92 VAL MG2 3.500 . 4.000 2.764 1.726 4.035 0.074 1 0 "[ . 1 .]" 1
175 1 20 ILE HA 1 22 GLY H 5.000 . 5.000 4.279 2.786 5.167 0.167 5 0 "[ . 1 .]" 1
176 1 20 ILE HA 1 24 ARG QD 5.000 . 5.000 3.620 2.561 4.929 . 0 0 "[ . 1 .]" 1
177 1 20 ILE HA 1 30 TYR QD 5.000 . 5.000 4.616 3.984 5.063 0.063 6 0 "[ . 1 .]" 1
178 1 20 ILE HA 1 30 TYR QE 5.000 . 5.000 3.637 3.016 4.395 . 0 0 "[ . 1 .]" 1
179 1 20 ILE MD 1 24 ARG QD 5.000 . 5.500 5.633 5.519 5.814 0.314 1 0 "[ . 1 .]" 1
180 1 20 ILE MD 1 27 GLN HA 6.000 . 6.500 5.251 4.760 5.620 . 0 0 "[ . 1 .]" 1
181 1 20 ILE MD 1 27 GLN QE 5.000 . 5.500 3.414 1.874 5.549 0.049 10 0 "[ . 1 .]" 1
182 1 20 ILE MD 1 27 GLN QG 5.000 . 5.500 4.299 3.624 5.447 . 0 0 "[ . 1 .]" 1
183 1 20 ILE MD 1 30 TYR QD 5.000 . 5.500 3.960 3.406 4.754 . 0 0 "[ . 1 .]" 1
184 1 20 ILE MD 1 30 TYR QE 5.000 . 5.500 4.158 2.942 5.305 . 0 0 "[ . 1 .]" 1
185 1 20 ILE MD 1 31 ALA MB 6.000 . 7.000 7.155 7.045 7.275 0.275 5 0 "[ . 1 .]" 1
186 1 20 ILE MD 1 47 HIS HE1 5.000 . 5.500 3.308 2.097 4.759 . 0 0 "[ . 1 .]" 1
187 1 20 ILE MD 1 48 VAL MG1 5.000 . 6.000 2.607 1.928 4.004 . 0 0 "[ . 1 .]" 1
188 1 20 ILE MD 1 48 VAL MG2 3.500 . 4.500 2.259 1.839 2.814 . 0 0 "[ . 1 .]" 1
189 1 20 ILE MD 1 49 ALA HA 6.000 . 6.500 5.456 4.660 6.322 . 0 0 "[ . 1 .]" 1
190 1 20 ILE MD 1 49 ALA MB 5.000 . 6.000 5.701 5.019 6.091 0.091 14 0 "[ . 1 .]" 1
191 1 20 ILE MD 1 51 ALA HA 6.000 . 6.500 5.250 4.213 6.050 . 0 0 "[ . 1 .]" 1
192 1 20 ILE MD 1 51 ALA MB 5.000 . 6.000 2.848 2.066 3.402 . 0 0 "[ . 1 .]" 1
193 1 20 ILE MD 1 56 LEU MD1 5.000 . 6.000 4.847 3.526 6.105 0.105 13 0 "[ . 1 .]" 1
194 1 20 ILE MD 1 56 LEU MD2 6.000 . 7.000 4.901 3.161 6.879 . 0 0 "[ . 1 .]" 1
195 1 20 ILE MD 1 56 LEU HG 6.000 . 6.500 6.099 4.631 6.568 0.068 5 0 "[ . 1 .]" 1
196 1 20 ILE MD 2 120 ALA MB 3.500 . 4.500 4.640 4.529 4.746 0.246 1 0 "[ . 1 .]" 1
197 1 20 ILE MD 2 121 MET ME 5.000 . 6.000 6.050 5.633 6.242 0.242 5 0 "[ . 1 .]" 1
198 1 20 ILE QG 1 67 ILE MD 5.000 . 5.500 4.865 2.943 5.562 0.062 12 0 "[ . 1 .]" 1
199 1 20 ILE MG 1 21 ARG HA 5.000 . 5.500 4.427 3.497 5.190 . 0 0 "[ . 1 .]" 1
200 1 20 ILE MG 1 23 GLY H 5.000 . 5.500 4.613 2.822 5.625 0.125 10 0 "[ . 1 .]" 1
201 1 20 ILE MG 1 24 ARG QD 3.500 . 4.000 3.598 3.099 4.008 0.008 15 0 "[ . 1 .]" 1
202 1 20 ILE MG 1 27 GLN HA 6.000 . 6.500 4.313 3.741 4.973 . 0 0 "[ . 1 .]" 1
203 1 20 ILE MG 1 27 GLN QE 3.500 . 4.000 2.780 1.753 3.969 0.047 3 0 "[ . 1 .]" 1
204 1 20 ILE MG 1 27 GLN QG 3.500 . 4.000 2.899 2.107 3.899 . 0 0 "[ . 1 .]" 1
205 1 20 ILE MG 1 30 TYR QD 5.000 . 5.500 3.847 3.389 4.351 . 0 0 "[ . 1 .]" 1
206 1 20 ILE MG 1 30 TYR QE 3.500 . 4.000 4.087 4.010 4.123 0.123 5 0 "[ . 1 .]" 1
207 1 20 ILE MG 1 47 HIS HE1 3.500 . 4.000 3.738 2.705 4.034 0.034 14 0 "[ . 1 .]" 1
208 1 20 ILE MG 1 49 ALA HA 5.000 . 5.500 5.450 4.735 5.587 0.087 7 0 "[ . 1 .]" 1
209 1 20 ILE MG 1 51 ALA HA 5.000 . 5.500 4.630 3.720 5.255 . 0 0 "[ . 1 .]" 1
210 1 20 ILE MG 1 51 ALA MB 5.000 . 6.000 2.333 1.805 2.741 . 0 0 "[ . 1 .]" 1
211 1 20 ILE MG 1 58 GLU QG 5.000 . 5.500 5.353 4.566 5.617 0.117 13 0 "[ . 1 .]" 1
212 1 20 ILE MG 1 67 ILE MD 6.000 . 7.000 4.333 3.671 5.117 . 0 0 "[ . 1 .]" 1
213 1 20 ILE MG 1 67 ILE QG 5.000 . 5.500 5.558 5.140 5.626 0.126 8 0 "[ . 1 .]" 1
214 1 21 ARG HA 1 22 GLY H 3.500 . 3.500 3.010 2.229 3.568 0.068 15 0 "[ . 1 .]" 1
215 1 21 ARG QD 1 67 ILE MD 6.000 . 6.500 6.326 5.578 6.593 0.093 13 0 "[ . 1 .]" 1
216 1 21 ARG QD 2 117 VAL MG1 3.500 . 4.000 3.105 2.077 4.025 0.025 4 0 "[ . 1 .]" 1
217 1 23 GLY H 1 24 ARG H 5.000 . 5.000 3.356 1.680 4.648 0.120 9 0 "[ . 1 .]" 1
218 1 24 ARG HA 1 27 GLN QB 5.000 . 5.000 3.138 1.910 4.905 . 0 0 "[ . 1 .]" 1
219 1 24 ARG HA 1 27 GLN QG 5.000 . 5.000 4.547 3.436 5.231 0.231 13 0 "[ . 1 .]" 1
220 1 24 ARG QD 1 27 GLN QB 5.000 . 5.000 3.390 1.927 4.964 . 0 0 "[ . 1 .]" 1
221 1 24 ARG QD 1 27 GLN QG 5.000 . 5.000 3.687 2.352 4.705 . 0 0 "[ . 1 .]" 1
222 1 25 GLU H 1 26 ASP H 3.500 . 3.500 2.649 2.420 2.828 . 0 0 "[ . 1 .]" 1
223 1 25 GLU HA 1 28 ALA MB 5.000 . 5.500 2.895 2.390 3.204 . 0 0 "[ . 1 .]" 1
224 1 25 GLU QG 1 28 ALA MB 5.000 . 5.500 4.314 3.361 5.166 . 0 0 "[ . 1 .]" 1
225 1 26 ASP H 1 27 GLN H 3.500 . 3.500 2.559 2.459 2.665 . 0 0 "[ . 1 .]" 1
226 1 26 ASP HA 1 29 LEU H 3.500 . 3.500 3.275 2.983 3.505 0.005 14 0 "[ . 1 .]" 1
227 1 26 ASP HA 1 29 LEU QB 5.000 . 5.000 2.364 2.197 2.765 . 0 0 "[ . 1 .]" 1
228 1 26 ASP HA 1 29 LEU MD2 3.500 . 4.000 3.208 2.985 3.464 . 0 0 "[ . 1 .]" 1
229 1 26 ASP HA 1 30 TYR H 6.000 . 6.000 3.895 3.738 3.998 . 0 0 "[ . 1 .]" 1
230 1 27 GLN H 1 28 ALA H 2.700 . 2.700 2.618 2.526 2.693 . 0 0 "[ . 1 .]" 1
231 1 27 GLN HA 1 27 GLN QG 2.700 . 2.700 2.506 2.193 2.741 0.041 6 0 "[ . 1 .]" 1
232 1 27 GLN HA 1 30 TYR H 5.000 . 5.000 3.332 3.119 3.527 . 0 0 "[ . 1 .]" 1
233 1 27 GLN HA 1 31 ALA H 6.000 . 6.000 4.091 3.686 4.269 . 0 0 "[ . 1 .]" 1
234 1 27 GLN QE 1 31 ALA MB 5.000 . 5.500 4.653 3.058 5.562 0.062 8 0 "[ . 1 .]" 1
235 1 27 GLN QE 1 51 ALA HA 5.000 . 5.000 4.443 3.290 5.048 0.048 5 0 "[ . 1 .]" 1
236 1 27 GLN QE 1 51 ALA MB 5.000 . 5.500 2.254 1.699 3.076 0.101 8 0 "[ . 1 .]" 1
237 1 27 GLN QG 1 31 ALA MB 5.000 . 5.500 4.799 3.854 5.658 0.158 13 0 "[ . 1 .]" 1
238 1 27 GLN QG 1 51 ALA HA 5.000 . 5.000 5.105 5.021 5.253 0.253 8 0 "[ . 1 .]" 1
239 1 27 GLN QG 1 51 ALA MB 3.500 . 4.000 2.776 2.329 3.340 . 0 0 "[ . 1 .]" 1
240 1 28 ALA H 1 29 LEU H 2.700 . 2.700 2.694 2.593 2.785 0.085 14 0 "[ . 1 .]" 1
241 1 28 ALA MB 1 29 LEU H 3.500 . 4.000 2.321 2.229 2.458 . 0 0 "[ . 1 .]" 1
242 1 28 ALA MB 1 32 ARG QD 5.000 . 5.500 5.420 5.138 5.528 0.028 13 0 "[ . 1 .]" 1
243 1 28 ALA MB 1 52 GLU QG 5.000 . 5.500 4.958 4.340 5.514 0.014 4 0 "[ . 1 .]" 1
244 1 29 LEU H 1 30 TYR H 2.700 . 2.700 2.645 2.577 2.690 . 0 0 "[ . 1 .]" 1
245 1 29 LEU HA 1 32 ARG H 3.500 . 3.500 3.512 3.321 3.562 0.062 9 0 "[ . 1 .]" 1
246 1 29 LEU HA 1 32 ARG QB 6.000 . 6.000 2.770 2.481 2.946 . 0 0 "[ . 1 .]" 1
247 1 29 LEU HA 1 32 ARG QD 5.000 . 5.000 3.758 3.443 4.001 . 0 0 "[ . 1 .]" 1
248 1 29 LEU MD1 1 30 TYR QD 5.000 . 5.500 4.972 4.667 5.153 . 0 0 "[ . 1 .]" 1
249 1 29 LEU MD1 1 30 TYR QE 5.000 . 5.500 5.437 5.145 5.561 0.061 10 0 "[ . 1 .]" 1
250 1 29 LEU MD1 1 32 ARG H 5.000 . 5.500 5.329 4.883 5.591 0.091 3 0 "[ . 1 .]" 1
251 1 29 LEU MD1 1 32 ARG QB 5.000 . 5.500 3.727 3.290 4.010 . 0 0 "[ . 1 .]" 1
252 1 29 LEU MD1 1 32 ARG QD 3.500 . 4.000 3.457 3.119 3.850 . 0 0 "[ . 1 .]" 1
253 1 29 LEU MD1 1 32 ARG QG 5.000 . 5.500 4.924 4.507 5.238 . 0 0 "[ . 1 .]" 1
254 1 29 LEU MD1 1 33 ILE H 5.000 . 5.500 4.434 4.021 4.670 . 0 0 "[ . 1 .]" 1
255 1 29 LEU MD1 1 33 ILE MD 3.500 . 4.500 2.793 2.528 3.887 . 0 0 "[ . 1 .]" 1
256 1 29 LEU MD1 1 33 ILE MG 5.000 . 6.000 5.059 4.875 5.256 . 0 0 "[ . 1 .]" 1
257 1 29 LEU MD1 1 109 LEU MD1 6.000 . 7.000 6.419 5.623 7.025 0.025 14 0 "[ . 1 .]" 1
258 1 29 LEU MD1 1 111 ARG QD 5.000 . 5.500 4.354 3.878 5.000 . 0 0 "[ . 1 .]" 1
259 1 29 LEU MD1 1 136 TYR QD 5.000 . 5.500 4.923 4.682 5.116 . 0 0 "[ . 1 .]" 1
260 1 29 LEU MD1 1 136 TYR QE 3.500 . 4.000 3.342 2.980 3.684 . 0 0 "[ . 1 .]" 1
261 1 29 LEU MD1 1 136 TYR HH 5.000 . 5.500 4.363 3.699 4.953 . 0 0 "[ . 1 .]" 1
262 1 29 LEU MD1 1 138 GLU H 3.500 . 4.000 4.109 4.076 4.171 0.171 7 0 "[ . 1 .]" 1
263 1 29 LEU MD1 1 138 GLU HA 3.500 . 4.000 2.592 2.055 2.968 . 0 0 "[ . 1 .]" 1
264 1 29 LEU MD1 1 138 GLU QB 3.500 . 4.000 2.509 2.039 3.029 . 0 0 "[ . 1 .]" 1
265 1 29 LEU MD1 1 138 GLU QG 2.700 . 3.200 2.118 2.028 2.192 . 0 0 "[ . 1 .]" 1
266 1 29 LEU MD1 1 141 VAL H 5.000 . 5.500 5.159 4.754 5.510 0.010 2 0 "[ . 1 .]" 1
267 1 29 LEU MD1 1 141 VAL MG1 3.500 . 4.500 3.304 2.932 3.694 . 0 0 "[ . 1 .]" 1
268 1 29 LEU MD1 1 141 VAL MG2 2.700 . 3.700 3.747 3.709 3.773 0.073 14 0 "[ . 1 .]" 1
269 1 29 LEU MD2 1 30 TYR QD 3.500 . 4.000 2.750 2.318 2.998 . 0 0 "[ . 1 .]" 1
270 1 29 LEU MD2 1 30 TYR QE 5.000 . 5.500 2.822 2.475 2.988 . 0 0 "[ . 1 .]" 1
271 1 29 LEU MD2 1 33 ILE MD 3.500 . 4.500 1.987 1.899 2.307 . 0 0 "[ . 1 .]" 1
272 1 29 LEU MD2 1 111 ARG QD 6.000 . 6.500 3.898 2.847 5.070 . 0 0 "[ . 1 .]" 1
273 1 29 LEU MD2 1 136 TYR QD 6.000 . 6.500 4.937 4.514 5.395 . 0 0 "[ . 1 .]" 1
274 1 29 LEU MD2 1 136 TYR QE 5.000 . 5.500 2.948 2.461 3.474 . 0 0 "[ . 1 .]" 1
275 1 29 LEU MD2 1 136 TYR HH 3.500 . 4.000 2.835 2.178 3.853 . 0 0 "[ . 1 .]" 1
276 1 29 LEU MD2 1 138 GLU HA 5.000 . 5.500 4.004 2.978 4.608 . 0 0 "[ . 1 .]" 1
277 1 29 LEU MD2 1 138 GLU QB 5.000 . 5.500 4.374 3.797 4.950 . 0 0 "[ . 1 .]" 1
278 1 29 LEU MD2 1 138 GLU QG 3.500 . 4.000 3.068 2.315 3.528 . 0 0 "[ . 1 .]" 1
279 1 29 LEU MD2 1 141 VAL MG1 6.000 . 7.000 4.185 3.265 4.753 . 0 0 "[ . 1 .]" 1
280 1 29 LEU MD2 1 141 VAL MG2 5.000 . 6.000 3.480 3.006 3.730 . 0 0 "[ . 1 .]" 1
281 1 30 TYR H 1 31 ALA H 2.700 . 2.700 2.695 2.639 2.738 0.038 9 0 "[ . 1 .]" 1
282 1 30 TYR HA 1 33 ILE H 3.500 . 3.500 3.531 3.423 3.569 0.069 7 0 "[ . 1 .]" 1
283 1 30 TYR QD 1 33 ILE MD 3.500 . 4.000 2.719 2.305 3.588 . 0 0 "[ . 1 .]" 1
284 1 30 TYR QD 1 33 ILE MG 3.500 . 4.000 3.962 2.599 4.148 0.148 10 0 "[ . 1 .]" 1
285 1 30 TYR QD 1 34 VAL H 5.000 . 5.000 5.056 4.946 5.103 0.103 15 0 "[ . 1 .]" 1
286 1 30 TYR QD 1 34 VAL MG2 5.000 . 5.500 4.138 4.064 4.234 . 0 0 "[ . 1 .]" 1
287 1 30 TYR QD 1 48 VAL MG1 5.000 . 5.500 2.689 2.071 4.225 . 0 0 "[ . 1 .]" 1
288 1 30 TYR QD 1 48 VAL MG2 5.000 . 5.500 4.284 2.035 5.023 . 0 0 "[ . 1 .]" 1
289 1 30 TYR QE 1 33 ILE MD 3.500 . 4.000 3.697 3.437 4.074 0.074 3 0 "[ . 1 .]" 1
290 1 30 TYR QE 1 33 ILE MG 5.000 . 5.500 5.094 4.069 5.324 . 0 0 "[ . 1 .]" 1
291 1 30 TYR QE 1 34 VAL MG2 5.000 . 5.500 5.664 5.538 5.771 0.271 11 0 "[ . 1 .]" 1
292 1 30 TYR QE 1 48 VAL MG1 5.000 . 5.500 3.849 2.840 5.253 . 0 0 "[ . 1 .]" 1
293 1 30 TYR QE 1 48 VAL MG2 5.000 . 5.500 4.899 3.138 5.549 0.049 14 0 "[ . 1 .]" 1
294 1 31 ALA H 1 32 ARG H 2.700 . 2.700 2.689 2.610 2.751 0.051 4 0 "[ . 1 .]" 1
295 1 31 ALA HA 1 34 VAL H 3.500 . 3.500 3.595 3.545 3.638 0.138 7 0 "[ . 1 .]" 1
296 1 31 ALA HA 1 34 VAL HB 5.000 . 5.000 2.265 2.177 2.375 . 0 0 "[ . 1 .]" 1
297 1 31 ALA HA 1 34 VAL MG1 5.000 . 5.500 3.470 3.321 3.631 . 0 0 "[ . 1 .]" 1
298 1 31 ALA HA 1 34 VAL MG2 5.000 . 5.500 2.932 2.657 3.245 . 0 0 "[ . 1 .]" 1
299 1 31 ALA HA 1 49 ALA MB 5.000 . 5.500 2.002 1.948 2.058 . 0 0 "[ . 1 .]" 1
300 1 31 ALA MB 1 34 VAL HB 5.000 . 5.500 3.903 3.837 3.975 . 0 0 "[ . 1 .]" 1
301 1 31 ALA MB 1 34 VAL MG1 5.000 . 6.000 4.413 4.257 4.571 . 0 0 "[ . 1 .]" 1
302 1 31 ALA MB 1 34 VAL MG2 5.000 . 6.000 4.167 3.986 4.385 . 0 0 "[ . 1 .]" 1
303 1 31 ALA MB 1 35 SER QB 6.000 . 6.500 4.670 4.298 5.308 . 0 0 "[ . 1 .]" 1
304 1 31 ALA MB 1 49 ALA HA 5.000 . 5.500 3.011 2.327 3.615 . 0 0 "[ . 1 .]" 1
305 1 31 ALA MB 1 49 ALA MB 3.500 . 4.500 2.286 2.114 2.504 . 0 0 "[ . 1 .]" 1
306 1 31 ALA MB 1 50 ASP HA 5.000 . 5.500 4.875 4.398 5.096 . 0 0 "[ . 1 .]" 1
307 1 31 ALA MB 1 50 ASP QB 5.000 . 5.500 5.598 5.149 5.742 0.242 12 0 "[ . 1 .]" 1
308 1 31 ALA MB 1 51 ALA H 6.000 . 6.500 5.015 4.605 5.551 . 0 0 "[ . 1 .]" 1
309 1 31 ALA MB 1 52 GLU HA 6.000 . 6.500 6.557 6.248 6.678 0.178 14 0 "[ . 1 .]" 1
310 1 31 ALA MB 1 52 GLU QG 5.000 . 5.500 3.583 3.156 3.870 . 0 0 "[ . 1 .]" 1
311 1 32 ARG H 1 33 ILE H 2.700 . 2.700 2.688 2.649 2.736 0.036 9 0 "[ . 1 .]" 1
312 1 32 ARG HA 1 33 ILE H 3.500 . 3.500 3.562 3.555 3.567 0.067 3 0 "[ . 1 .]" 1
313 1 32 ARG HA 1 35 SER QB 5.000 . 5.000 2.651 2.407 2.914 . 0 0 "[ . 1 .]" 1
314 1 32 ARG QD 1 141 VAL MG1 3.500 . 4.000 3.976 3.582 4.037 0.037 13 0 "[ . 1 .]" 1
315 1 33 ILE H 1 34 VAL H 2.700 . 2.700 2.751 2.725 2.787 0.087 7 0 "[ . 1 .]" 1
316 1 33 ILE HA 1 34 VAL H 3.500 . 3.500 3.534 3.524 3.545 0.045 5 0 "[ . 1 .]" 1
317 1 33 ILE HA 1 141 VAL MG1 5.000 . 5.500 3.631 3.376 3.963 . 0 0 "[ . 1 .]" 1
318 1 33 ILE HA 1 141 VAL MG2 5.000 . 5.500 4.381 3.787 4.990 . 0 0 "[ . 1 .]" 1
319 1 33 ILE HA 1 145 LEU MD1 3.500 . 4.000 3.848 3.641 4.058 0.058 6 0 "[ . 1 .]" 1
320 1 33 ILE HB 1 34 VAL H 3.500 . 3.500 2.649 2.481 3.563 0.063 3 0 "[ . 1 .]" 1
321 1 33 ILE MD 1 109 LEU MD1 3.500 . 4.500 3.758 2.952 4.511 0.011 14 0 "[ . 1 .]" 1
322 1 33 ILE MD 1 109 LEU MD2 5.000 . 6.000 5.011 4.235 5.460 . 0 0 "[ . 1 .]" 1
323 1 33 ILE MD 1 141 VAL MG1 5.000 . 6.000 2.986 2.269 3.579 . 0 0 "[ . 1 .]" 1
324 1 33 ILE MD 1 141 VAL MG2 3.500 . 4.500 2.066 1.950 2.209 . 0 0 "[ . 1 .]" 1
325 1 33 ILE MG 1 34 VAL H 5.000 . 5.500 2.967 1.786 3.412 0.014 3 0 "[ . 1 .]" 1
326 1 33 ILE MG 1 37 LEU H 5.000 . 5.500 3.916 3.685 4.501 . 0 0 "[ . 1 .]" 1
327 1 33 ILE MG 1 37 LEU MD1 5.000 . 6.000 2.047 1.862 2.280 . 0 0 "[ . 1 .]" 1
328 1 33 ILE MG 1 82 VAL MG1 5.000 . 6.000 4.029 3.135 5.040 . 0 0 "[ . 1 .]" 1
329 1 33 ILE MG 1 82 VAL MG2 5.000 . 6.000 5.174 4.462 5.756 . 0 0 "[ . 1 .]" 1
330 1 33 ILE MG 1 109 LEU MD1 6.000 . 7.000 4.059 3.388 5.693 . 0 0 "[ . 1 .]" 1
331 1 33 ILE MG 1 141 VAL MG2 5.000 . 6.000 3.188 2.625 4.291 . 0 0 "[ . 1 .]" 1
332 1 33 ILE MG 1 145 LEU MD1 3.500 . 4.500 2.731 2.211 4.060 . 0 0 "[ . 1 .]" 1
333 1 33 ILE MG 1 145 LEU MD2 5.000 . 6.000 3.808 3.351 4.928 . 0 0 "[ . 1 .]" 1
334 1 34 VAL H 1 34 VAL MG2 2.700 . 3.200 2.307 2.117 2.388 . 0 0 "[ . 1 .]" 1
335 1 34 VAL H 1 35 SER H 2.700 . 2.700 2.609 2.531 2.695 . 0 0 "[ . 1 .]" 1
336 1 34 VAL HA 1 34 VAL MG1 2.700 . 3.200 2.418 2.392 2.471 . 0 0 "[ . 1 .]" 1
337 1 34 VAL HA 1 37 LEU H 3.500 . 3.500 3.444 3.209 3.569 0.069 15 0 "[ . 1 .]" 1
338 1 34 VAL HA 1 37 LEU MD1 5.000 . 5.500 2.154 2.042 2.238 . 0 0 "[ . 1 .]" 1
339 1 34 VAL HA 1 43 VAL MG1 5.000 . 5.500 3.658 3.052 4.010 . 0 0 "[ . 1 .]" 1
340 1 34 VAL HA 1 43 VAL MG2 5.000 . 5.500 2.932 2.703 3.251 . 0 0 "[ . 1 .]" 1
341 1 34 VAL HB 1 35 SER H 3.500 . 3.500 2.870 2.802 2.951 . 0 0 "[ . 1 .]" 1
342 1 34 VAL MG1 1 35 SER QB 5.000 . 5.500 4.469 4.213 4.830 . 0 0 "[ . 1 .]" 1
343 1 34 VAL MG1 1 38 ARG QD 3.500 . 4.000 3.131 2.020 3.770 . 0 0 "[ . 1 .]" 1
344 1 34 VAL MG1 1 46 GLU QB 5.000 . 5.500 4.402 3.347 5.531 0.031 11 0 "[ . 1 .]" 1
345 1 34 VAL MG1 1 46 GLU QG 5.000 . 5.500 3.936 2.272 5.337 . 0 0 "[ . 1 .]" 1
346 1 34 VAL MG1 1 49 ALA HA 5.000 . 5.500 5.028 4.420 5.574 0.074 9 0 "[ . 1 .]" 1
347 1 34 VAL MG1 1 49 ALA MB 3.500 . 4.500 2.581 2.217 2.906 . 0 0 "[ . 1 .]" 1
348 1 34 VAL MG2 1 37 LEU MD1 5.000 . 6.000 3.012 2.696 3.137 . 0 0 "[ . 1 .]" 1
349 1 34 VAL MG2 1 43 VAL MG1 5.000 . 6.000 2.844 2.337 3.348 . 0 0 "[ . 1 .]" 1
350 1 34 VAL MG2 1 49 ALA MB 5.000 . 6.000 2.205 1.972 2.537 . 0 0 "[ . 1 .]" 1
351 1 35 SER H 1 36 ARG H 2.700 . 2.700 2.625 2.531 2.719 0.019 7 0 "[ . 1 .]" 1
352 1 35 SER HA 1 36 ARG H 3.500 . 3.500 3.559 3.539 3.574 0.074 7 0 "[ . 1 .]" 1
353 1 35 SER HA 1 38 ARG H 3.500 . 3.500 3.412 3.187 3.531 0.031 8 0 "[ . 1 .]" 1
354 1 35 SER HA 1 38 ARG QD 3.500 . 3.500 3.205 2.517 3.582 0.082 10 0 "[ . 1 .]" 1
355 1 35 SER QB 1 36 ARG H 3.500 . 3.500 2.995 2.572 3.445 . 0 0 "[ . 1 .]" 1
356 1 35 SER QB 1 38 ARG QD 5.000 . 5.000 4.517 4.107 4.968 . 0 0 "[ . 1 .]" 1
357 1 35 SER QB 1 39 ARG QG 5.000 . 5.000 4.298 3.920 5.068 0.068 15 0 "[ . 1 .]" 1
358 1 36 ARG H 1 37 LEU H 2.700 . 2.700 2.574 2.485 2.629 . 0 0 "[ . 1 .]" 1
359 1 36 ARG H 1 145 LEU MD1 5.000 . 5.500 4.840 4.368 5.207 . 0 0 "[ . 1 .]" 1
360 1 36 ARG HA 1 37 LEU H 3.500 . 3.500 3.536 3.510 3.553 0.053 8 0 "[ . 1 .]" 1
361 1 36 ARG HA 1 39 ARG H 3.500 . 3.500 3.201 3.103 3.303 . 0 0 "[ . 1 .]" 1
362 1 36 ARG HA 1 39 ARG QD 3.500 . 3.500 2.543 2.329 3.362 . 0 0 "[ . 1 .]" 1
363 1 36 ARG HA 1 145 LEU MD1 5.000 . 5.500 5.124 4.292 5.538 0.038 1 0 "[ . 1 .]" 1
364 1 36 ARG QD 1 142 GLU H 5.000 . 5.000 4.213 3.741 5.027 0.027 15 0 "[ . 1 .]" 1
365 1 37 LEU H 1 38 ARG H 2.700 . 2.700 2.608 2.476 2.648 . 0 0 "[ . 1 .]" 1
366 1 37 LEU HA 1 37 LEU MD2 2.700 . 3.200 2.256 2.144 2.567 . 0 0 "[ . 1 .]" 1
367 1 37 LEU HA 1 39 ARG H 5.000 . 5.000 3.868 3.746 3.942 . 0 0 "[ . 1 .]" 1
368 1 37 LEU HA 1 40 TYR H 3.500 . 3.500 3.251 2.998 3.415 . 0 0 "[ . 1 .]" 1
369 1 37 LEU HA 1 40 TYR QD 5.000 . 5.000 3.859 2.780 4.592 . 0 0 "[ . 1 .]" 1
370 1 37 LEU MD1 1 38 ARG H 3.500 . 4.000 4.176 4.116 4.276 0.276 12 0 "[ . 1 .]" 1
371 1 37 LEU MD1 1 43 VAL MG1 3.500 . 4.500 3.684 3.191 3.980 . 0 0 "[ . 1 .]" 1
372 1 37 LEU MD1 1 43 VAL MG2 3.500 . 4.500 2.774 2.316 3.108 . 0 0 "[ . 1 .]" 1
373 1 37 LEU MD1 1 82 VAL MG1 5.000 . 6.000 3.588 3.043 4.291 . 0 0 "[ . 1 .]" 1
374 1 37 LEU MD1 1 82 VAL MG2 3.500 . 4.500 3.676 2.950 4.360 . 0 0 "[ . 1 .]" 1
375 1 37 LEU MD2 1 40 TYR H 5.000 . 5.500 4.964 4.624 5.311 . 0 0 "[ . 1 .]" 1
376 1 37 LEU MD2 1 40 TYR QD 5.000 . 5.500 4.384 3.887 4.797 . 0 0 "[ . 1 .]" 1
377 1 37 LEU MD2 1 40 TYR QE 5.000 . 5.500 4.799 3.987 5.082 . 0 0 "[ . 1 .]" 1
378 1 37 LEU MD2 1 43 VAL MG1 5.000 . 6.000 5.280 4.750 5.751 . 0 0 "[ . 1 .]" 1
379 1 37 LEU MD2 1 43 VAL MG2 5.000 . 6.000 3.834 3.323 4.610 . 0 0 "[ . 1 .]" 1
380 1 37 LEU MD2 1 82 VAL MG1 5.000 . 6.000 3.247 2.567 3.971 . 0 0 "[ . 1 .]" 1
381 1 37 LEU MD2 1 82 VAL MG2 5.000 . 6.000 2.692 2.098 3.309 . 0 0 "[ . 1 .]" 1
382 1 37 LEU MD2 1 145 LEU MD1 5.000 . 6.000 2.215 1.999 2.688 . 0 0 "[ . 1 .]" 1
383 1 37 LEU MD2 1 145 LEU MD2 3.500 . 4.500 2.275 1.996 2.701 . 0 0 "[ . 1 .]" 1
384 1 37 LEU MD2 1 149 PHE QD 6.000 . 6.500 4.265 3.981 4.533 . 0 0 "[ . 1 .]" 1
385 1 37 LEU MD2 1 149 PHE QE 5.000 . 5.500 2.480 2.118 2.823 . 0 0 "[ . 1 .]" 1
386 1 37 LEU MD2 1 149 PHE HZ 3.500 . 4.000 3.099 2.478 3.621 . 0 0 "[ . 1 .]" 1
387 1 38 ARG H 1 39 ARG H 2.700 . 2.700 2.634 2.547 2.704 0.004 7 0 "[ . 1 .]" 1
388 1 38 ARG H 1 43 VAL MG2 3.500 . 4.000 2.565 2.213 3.035 . 0 0 "[ . 1 .]" 1
389 1 38 ARG HA 1 43 VAL MG2 3.500 . 4.000 2.384 2.114 2.888 . 0 0 "[ . 1 .]" 1
390 1 38 ARG QB 1 43 VAL MG2 5.000 . 5.500 2.770 2.036 3.605 . 0 0 "[ . 1 .]" 1
391 1 38 ARG QD 1 43 VAL H 5.000 . 5.000 4.672 4.058 5.088 0.088 12 0 "[ . 1 .]" 1
392 1 38 ARG QD 1 43 VAL MG2 3.500 . 4.000 3.834 3.264 4.031 0.031 11 0 "[ . 1 .]" 1
393 1 38 ARG QG 1 43 VAL MG2 5.000 . 5.500 3.086 1.982 4.433 . 0 0 "[ . 1 .]" 1
394 1 39 ARG H 1 40 TYR H 2.700 . 2.700 2.499 2.345 2.724 0.024 10 0 "[ . 1 .]" 1
395 1 39 ARG H 1 40 TYR QD 5.000 . 5.000 3.672 3.329 4.363 . 0 0 "[ . 1 .]" 1
396 1 39 ARG H 1 40 TYR QE 5.000 . 5.000 4.954 4.660 5.122 0.122 15 0 "[ . 1 .]" 1
397 1 39 ARG HA 1 40 TYR H 3.500 . 3.500 3.543 3.515 3.589 0.089 13 0 "[ . 1 .]" 1
398 1 39 ARG QD 1 40 TYR QD 5.000 . 5.000 3.953 3.610 4.276 . 0 0 "[ . 1 .]" 1
399 1 39 ARG QD 1 40 TYR QE 3.500 . 3.500 3.376 2.674 3.610 0.110 2 0 "[ . 1 .]" 1
400 1 39 ARG QG 1 40 TYR QD 5.000 . 5.000 4.326 4.137 4.905 . 0 0 "[ . 1 .]" 1
401 1 39 ARG QG 1 40 TYR QE 5.000 . 5.000 4.795 4.232 5.034 0.034 9 0 "[ . 1 .]" 1
402 1 40 TYR H 1 40 TYR QD 2.700 . 2.700 1.999 1.763 2.398 0.037 9 0 "[ . 1 .]" 1
403 1 40 TYR H 1 41 GLY H 5.000 . 5.000 3.184 2.655 4.528 . 0 0 "[ . 1 .]" 1
404 1 40 TYR QD 1 41 GLY H 5.000 . 5.000 4.164 4.019 4.265 . 0 0 "[ . 1 .]" 1
405 1 40 TYR QD 1 145 LEU MD1 5.000 . 5.500 5.031 3.878 5.466 . 0 0 "[ . 1 .]" 1
406 1 40 TYR QD 1 145 LEU MD2 5.000 . 5.500 5.321 4.863 5.594 0.094 13 0 "[ . 1 .]" 1
407 1 40 TYR QD 1 149 PHE QD 3.500 . 3.500 3.061 2.650 3.506 0.006 7 0 "[ . 1 .]" 1
408 1 40 TYR QE 1 145 LEU MD1 5.000 . 5.500 4.373 3.648 4.785 . 0 0 "[ . 1 .]" 1
409 1 40 TYR QE 1 145 LEU MD2 5.000 . 5.500 4.952 4.393 5.378 . 0 0 "[ . 1 .]" 1
410 1 40 TYR QE 1 146 ASP H 5.000 . 5.000 5.117 5.047 5.223 0.223 13 0 "[ . 1 .]" 1
411 1 40 TYR QE 1 149 PHE QD 5.000 . 5.000 2.346 2.108 3.120 . 0 0 "[ . 1 .]" 1
412 1 40 TYR QE 1 149 PHE QE 5.000 . 5.000 3.888 3.119 4.528 . 0 0 "[ . 1 .]" 1
413 1 40 TYR QE 1 153 LEU MD1 3.500 . 4.000 3.344 3.185 3.689 . 0 0 "[ . 1 .]" 1
414 1 40 TYR QE 1 153 LEU MD2 5.000 . 5.500 5.655 5.589 5.732 0.232 10 0 "[ . 1 .]" 1
415 1 41 GLY H 1 42 LYS H 5.000 . 5.000 3.763 2.644 4.282 . 0 0 "[ . 1 .]" 1
416 1 41 GLY QA 1 42 LYS H 2.700 . 2.700 2.280 2.171 2.516 . 0 0 "[ . 1 .]" 1
417 1 42 LYS HA 1 43 VAL H 2.700 . 2.700 2.231 2.183 2.292 . 0 0 "[ . 1 .]" 1
418 1 42 LYS QB 1 44 LEU MD2 5.000 . 5.500 2.904 2.538 4.135 . 0 0 "[ . 1 .]" 1
419 1 42 LYS QD 1 44 LEU MD2 3.500 . 4.000 3.886 2.643 4.059 0.059 5 0 "[ . 1 .]" 1
420 1 42 LYS QE 1 44 LEU MD2 2.700 . 3.200 3.232 2.825 3.309 0.109 4 0 "[ . 1 .]" 1
421 1 42 LYS QG 1 44 LEU MD2 5.000 . 5.500 4.392 2.903 4.780 . 0 0 "[ . 1 .]" 1
422 1 43 VAL H 1 43 VAL MG2 2.700 . 3.200 2.807 2.402 3.138 . 0 0 "[ . 1 .]" 1
423 1 43 VAL HA 1 44 LEU H 2.700 . 2.700 2.206 2.161 2.266 . 0 0 "[ . 1 .]" 1
424 1 43 VAL MG1 1 44 LEU H 3.500 . 4.000 2.993 2.559 3.483 . 0 0 "[ . 1 .]" 1
425 1 43 VAL MG1 1 46 GLU QB 5.000 . 5.500 3.503 1.865 4.598 . 0 0 "[ . 1 .]" 1
426 1 43 VAL MG1 1 46 GLU QG 5.000 . 5.500 3.054 2.395 4.571 . 0 0 "[ . 1 .]" 1
427 1 44 LEU HA 1 44 LEU MD2 3.500 . 4.000 2.109 1.803 2.337 . 0 0 "[ . 1 .]" 1
428 1 44 LEU MD1 1 74 TRP HA 5.000 . 5.500 2.954 2.392 3.829 . 0 0 "[ . 1 .]" 1
429 1 44 LEU MD1 1 74 TRP HD1 3.500 . 4.000 2.303 2.026 3.249 . 0 0 "[ . 1 .]" 1
430 1 44 LEU MD1 1 74 TRP HE1 3.500 . 4.000 3.963 2.874 4.145 0.145 9 0 "[ . 1 .]" 1
431 1 44 LEU MD1 1 77 GLN H 5.000 . 5.500 3.891 3.431 5.589 0.089 15 0 "[ . 1 .]" 1
432 1 44 LEU MD1 1 77 GLN QB 5.000 . 5.500 3.012 2.210 4.525 . 0 0 "[ . 1 .]" 1
433 1 44 LEU MD1 1 77 GLN QE 5.000 . 5.500 3.933 2.938 4.635 . 0 0 "[ . 1 .]" 1
434 1 44 LEU MD1 1 77 GLN QG 3.500 . 4.000 3.793 2.384 4.130 0.130 10 0 "[ . 1 .]" 1
435 1 44 LEU MD1 1 78 ALA H 5.000 . 5.500 3.314 2.840 5.505 0.005 15 0 "[ . 1 .]" 1
436 1 44 LEU MD1 1 78 ALA HA 5.000 . 5.500 2.230 1.936 4.421 . 0 0 "[ . 1 .]" 1
437 1 44 LEU MD1 1 78 ALA MB 3.500 . 4.500 2.407 2.124 4.332 . 0 0 "[ . 1 .]" 1
438 1 44 LEU MD2 1 74 TRP HD1 3.500 . 4.000 2.742 2.236 3.293 . 0 0 "[ . 1 .]" 1
439 1 44 LEU MD2 1 74 TRP HE1 2.700 . 3.200 2.936 2.468 3.249 0.049 9 0 "[ . 1 .]" 1
440 1 44 LEU MD2 1 74 TRP HE3 5.000 . 5.500 5.464 5.126 5.663 0.163 15 0 "[ . 1 .]" 1
441 1 44 LEU MD2 1 77 GLN QE 5.000 . 5.500 4.601 4.018 4.954 . 0 0 "[ . 1 .]" 1
442 1 44 LEU MD2 1 77 GLN QG 5.000 . 5.500 4.950 3.056 5.507 0.007 3 0 "[ . 1 .]" 1
443 1 44 LEU MD2 1 78 ALA MB 5.000 . 6.000 4.415 3.494 4.703 . 0 0 "[ . 1 .]" 1
444 1 47 HIS HA 1 48 VAL H 3.500 . 3.500 3.486 3.021 3.573 0.073 13 0 "[ . 1 .]" 1
445 1 48 VAL H 1 48 VAL MG2 3.500 . 4.000 2.303 1.804 3.730 . 0 0 "[ . 1 .]" 1
446 1 48 VAL HA 1 49 ALA H 3.500 . 3.500 3.337 2.436 3.584 0.084 3 0 "[ . 1 .]" 1
447 1 48 VAL HA 1 51 ALA MB 6.000 . 6.500 2.746 2.175 3.314 . 0 0 "[ . 1 .]" 1
448 1 48 VAL MG1 1 49 ALA H 3.500 . 4.000 2.586 1.725 3.589 0.075 3 0 "[ . 1 .]" 1
449 1 48 VAL MG1 1 49 ALA HA 3.500 . 4.000 3.363 3.022 4.037 0.037 13 0 "[ . 1 .]" 1
450 1 48 VAL MG1 1 51 ALA MB 5.000 . 6.000 3.811 3.335 5.110 . 0 0 "[ . 1 .]" 1
451 1 48 VAL MG1 1 67 ILE MD 6.000 . 7.000 6.345 5.746 6.760 . 0 0 "[ . 1 .]" 1
452 1 48 VAL MG2 1 51 ALA MB 3.500 . 4.500 4.168 3.690 4.554 0.054 6 0 "[ . 1 .]" 1
453 1 48 VAL MG2 1 67 ILE MD 5.000 . 6.000 5.382 4.951 6.017 0.017 13 0 "[ . 1 .]" 1
454 1 49 ALA HA 1 50 ASP H 3.500 . 3.500 3.477 2.642 3.572 0.072 1 0 "[ . 1 .]" 1
455 1 49 ALA HA 1 52 GLU QB 6.000 . 6.000 5.404 5.037 5.831 . 0 0 "[ . 1 .]" 1
456 1 49 ALA HA 1 52 GLU QG 3.500 . 3.500 3.522 3.224 3.782 0.282 12 0 "[ . 1 .]" 1
457 1 49 ALA HA 1 53 LEU MD1 5.000 . 5.500 5.453 5.258 5.822 0.322 12 0 "[ . 1 .]" 1
458 1 49 ALA HA 1 53 LEU MD2 6.000 . 6.500 6.438 5.207 6.815 0.315 12 0 "[ . 1 .]" 1
459 1 50 ASP HA 1 51 ALA H 3.500 . 3.500 2.986 2.674 3.451 . 0 0 "[ . 1 .]" 1
460 1 50 ASP HA 1 53 LEU QB 5.000 . 5.000 4.911 4.125 5.169 0.169 15 0 "[ . 1 .]" 1
461 1 50 ASP HA 1 53 LEU MD1 3.500 . 4.000 2.342 2.066 3.980 . 0 0 "[ . 1 .]" 1
462 1 50 ASP HA 1 53 LEU MD2 5.000 . 5.500 3.397 2.233 4.360 . 0 0 "[ . 1 .]" 1
463 1 50 ASP QB 1 53 LEU MD1 5.000 . 5.500 3.421 2.801 4.413 . 0 0 "[ . 1 .]" 1
464 1 51 ALA H 1 52 GLU H 3.500 . 3.500 2.256 1.701 3.086 0.099 3 0 "[ . 1 .]" 1
465 1 51 ALA HA 1 54 GLU QB 6.000 . 6.000 5.741 4.957 6.211 0.211 8 0 "[ . 1 .]" 1
466 1 51 ALA MB 1 54 GLU QB 6.000 . 6.500 6.266 5.752 6.574 0.074 13 0 "[ . 1 .]" 1
467 1 52 GLU H 1 53 LEU H 3.500 . 3.500 2.565 1.764 3.547 0.047 14 0 "[ . 1 .]" 1
468 1 52 GLU HA 1 53 LEU H 3.500 . 3.500 3.339 2.591 3.543 0.043 15 0 "[ . 1 .]" 1
469 1 52 GLU HA 1 56 LEU MD1 5.000 . 5.500 3.748 2.318 5.343 . 0 0 "[ . 1 .]" 1
470 1 52 GLU HA 1 56 LEU MD2 5.000 . 5.500 2.881 2.226 4.311 . 0 0 "[ . 1 .]" 1
471 1 52 GLU HA 1 56 LEU HG 6.000 . 6.000 3.453 3.083 4.137 . 0 0 "[ . 1 .]" 1
472 1 52 GLU QB 1 56 LEU HG 5.000 . 5.000 5.100 5.027 5.212 0.212 4 0 "[ . 1 .]" 1
473 1 53 LEU H 1 54 GLU H 5.000 . 5.000 3.950 1.775 4.694 0.025 14 0 "[ . 1 .]" 1
474 1 53 LEU HA 1 54 GLU H 3.500 . 3.500 2.760 2.200 3.571 0.071 8 0 "[ . 1 .]" 1
475 1 53 LEU MD2 1 67 ILE MD 5.000 . 6.000 6.142 6.043 6.236 0.236 13 0 "[ . 1 .]" 1
476 1 54 GLU HA 1 55 PRO QD 3.500 . 3.500 2.411 2.110 3.462 . 0 0 "[ . 1 .]" 1
477 1 54 GLU HA 1 55 PRO QG 5.000 . 5.000 4.280 4.038 5.103 0.103 8 0 "[ . 1 .]" 1
478 1 55 PRO HA 1 56 LEU H 3.500 . 3.500 2.448 2.220 3.489 . 0 0 "[ . 1 .]" 1
479 1 55 PRO QB 1 60 ALA HA 5.000 . 5.000 4.038 2.955 5.037 0.037 5 0 "[ . 1 .]" 1
480 1 55 PRO QB 1 60 ALA MB 5.000 . 5.500 2.799 1.997 4.142 . 0 0 "[ . 1 .]" 1
481 1 55 PRO QG 1 60 ALA HA 5.000 . 5.000 4.675 3.259 5.099 0.099 13 0 "[ . 1 .]" 1
482 1 55 PRO QG 1 60 ALA MB 5.000 . 5.500 3.577 2.204 4.562 . 0 0 "[ . 1 .]" 1
483 1 56 LEU HA 1 57 GLY H 3.500 . 3.500 2.767 2.201 3.556 0.056 14 0 "[ . 1 .]" 1
484 1 56 LEU HA 1 60 ALA MB 5.000 . 5.500 3.205 2.088 4.626 . 0 0 "[ . 1 .]" 1
485 1 56 LEU QB 1 60 ALA MB 3.500 . 4.000 4.016 3.755 4.146 0.146 10 0 "[ . 1 .]" 1
486 1 56 LEU MD1 1 60 ALA MB 3.500 . 4.500 4.163 3.457 4.580 0.080 4 0 "[ . 1 .]" 1
487 1 56 LEU MD1 1 67 ILE MD 5.000 . 6.000 5.080 2.950 6.147 0.147 6 0 "[ . 1 .]" 1
488 1 56 LEU MD2 1 67 ILE MD 6.000 . 7.000 5.377 3.552 7.041 0.041 13 0 "[ . 1 .]" 1
489 1 57 GLY QA 1 58 GLU H 2.700 . 2.700 2.545 2.173 2.820 0.120 11 0 "[ . 1 .]" 1
490 1 57 GLY QA 2 117 VAL MG2 5.000 . 5.500 5.189 3.709 5.607 0.107 14 0 "[ . 1 .]" 1
491 1 58 GLU HA 1 59 GLU H 3.500 . 3.500 3.401 2.599 3.564 0.064 6 0 "[ . 1 .]" 1
492 1 58 GLU HA 1 67 ILE MD 6.000 . 6.500 4.255 3.552 5.342 . 0 0 "[ . 1 .]" 1
493 1 58 GLU QB 2 117 VAL MG1 5.000 . 5.500 2.281 1.973 2.961 . 0 0 "[ . 1 .]" 1
494 1 58 GLU QG 1 67 ILE MD 5.000 . 5.500 4.700 3.865 5.534 0.034 1 0 "[ . 1 .]" 1
495 1 58 GLU QG 2 117 VAL MG1 3.500 . 4.000 2.804 2.140 4.029 0.029 14 0 "[ . 1 .]" 1
496 1 59 GLU HA 1 60 ALA H 3.500 . 3.500 3.414 3.143 3.512 0.012 6 0 "[ . 1 .]" 1
497 1 59 GLU HA 2 117 VAL MG2 5.000 . 5.500 4.730 2.739 5.543 0.043 15 0 "[ . 1 .]" 1
498 1 59 GLU QB 2 117 VAL MG2 3.500 . 4.000 3.621 2.499 4.055 0.055 12 0 "[ . 1 .]" 1
499 1 59 GLU QG 2 117 VAL MG2 5.000 . 5.500 4.267 2.214 5.532 0.032 9 0 "[ . 1 .]" 1
500 1 60 ALA HA 1 61 ALA H 2.700 . 2.700 2.473 2.260 2.809 0.109 12 0 "[ . 1 .]" 1
501 1 61 ALA HA 1 62 GLY H 3.500 . 3.500 2.861 2.221 3.538 0.038 3 0 "[ . 1 .]" 1
502 1 62 GLY QA 1 63 GLY H 3.500 . 3.500 2.554 2.226 2.928 . 0 0 "[ . 1 .]" 1
503 1 62 GLY QA 1 64 ASP H 5.000 . 5.000 4.683 3.061 5.140 0.140 13 0 "[ . 1 .]" 1
504 1 62 GLY QA 1 66 PHE QB 5.000 . 5.000 5.056 4.849 5.372 0.372 12 0 "[ . 1 .]" 1
505 1 62 GLY QA 1 67 ILE MD 5.000 . 5.500 4.715 3.340 5.586 0.086 8 0 "[ . 1 .]" 1
506 1 63 GLY H 1 64 ASP H 2.700 . 2.700 2.677 1.854 2.827 0.127 15 0 "[ . 1 .]" 1
507 1 63 GLY H 1 66 PHE QD 5.000 . 5.000 5.024 4.989 5.056 0.056 12 0 "[ . 1 .]" 1
508 1 63 GLY QA 1 65 GLN QB 5.000 . 5.000 4.028 3.704 4.770 . 0 0 "[ . 1 .]" 1
509 1 63 GLY QA 1 65 GLN QG 5.000 . 5.000 4.942 4.573 5.128 0.128 10 0 "[ . 1 .]" 1
510 1 63 GLY QA 1 66 PHE H 5.000 . 5.000 2.922 2.734 3.200 . 0 0 "[ . 1 .]" 1
511 1 63 GLY QA 1 66 PHE QB 6.000 . 6.000 2.338 1.914 2.927 . 0 0 "[ . 1 .]" 1
512 1 63 GLY QA 1 67 ILE MD 5.000 . 5.500 4.684 2.866 5.491 . 0 0 "[ . 1 .]" 1
513 1 64 ASP H 1 65 GLN H 2.700 . 2.700 2.750 2.659 2.817 0.117 13 0 "[ . 1 .]" 1
514 1 64 ASP H 2 120 ALA MB 5.000 . 5.500 5.237 4.690 5.548 0.048 6 0 "[ . 1 .]" 1
515 1 64 ASP HA 1 65 GLN H 3.500 . 3.500 3.529 3.505 3.549 0.049 7 0 "[ . 1 .]" 1
516 1 64 ASP HA 1 67 ILE H 3.500 . 3.500 3.426 3.236 3.578 0.078 7 0 "[ . 1 .]" 1
517 1 64 ASP HA 1 67 ILE HB 5.000 . 5.000 2.539 2.292 3.281 . 0 0 "[ . 1 .]" 1
518 1 64 ASP HA 1 67 ILE MD 3.500 . 4.000 2.864 2.272 4.059 0.059 12 0 "[ . 1 .]" 1
519 1 64 ASP HA 1 67 ILE MG 5.000 . 5.500 3.326 2.369 4.128 . 0 0 "[ . 1 .]" 1
520 1 64 ASP HA 2 120 ALA MB 3.500 . 4.000 3.044 2.423 3.418 . 0 0 "[ . 1 .]" 1
521 1 64 ASP QB 2 120 ALA HA 5.000 . 5.000 2.950 2.334 3.445 . 0 0 "[ . 1 .]" 1
522 1 64 ASP QB 2 120 ALA MB 5.000 . 5.500 2.865 2.431 3.821 . 0 0 "[ . 1 .]" 1
523 1 64 ASP QB 2 124 GLY H 5.000 . 5.000 4.505 2.402 5.012 0.012 6 0 "[ . 1 .]" 1
524 1 65 GLN H 1 66 PHE H 2.700 . 2.700 2.716 2.635 2.752 0.052 3 0 "[ . 1 .]" 1
525 1 65 GLN H 2 124 GLY QA 5.000 . 5.000 4.823 2.913 5.106 0.106 9 0 "[ . 1 .]" 1
526 1 65 GLN HA 1 68 HIS H 3.500 . 3.500 3.330 3.039 3.514 0.014 15 0 "[ . 1 .]" 1
527 1 65 GLN HA 2 121 MET ME 6.000 . 6.500 6.451 6.136 6.599 0.099 2 0 "[ . 1 .]" 1
528 1 65 GLN HA 2 124 GLY QA 5.000 . 5.000 2.790 2.096 3.153 . 0 0 "[ . 1 .]" 1
529 1 65 GLN QE 2 126 ALA MB 5.000 . 5.500 4.904 2.770 5.563 0.063 10 0 "[ . 1 .]" 1
530 1 65 GLN QG 2 124 GLY QA 3.500 . 3.500 3.175 2.280 3.536 0.036 11 0 "[ . 1 .]" 1
531 1 66 PHE H 1 67 ILE H 2.700 . 2.700 2.690 2.627 2.784 0.084 12 0 "[ . 1 .]" 1
532 1 66 PHE HA 1 69 GLU QB 5.000 . 5.000 2.541 2.103 3.916 . 0 0 "[ . 1 .]" 1
533 1 66 PHE HA 1 69 GLU QG 3.500 . 3.500 3.395 2.219 3.587 0.087 1 0 "[ . 1 .]" 1
534 1 67 ILE H 1 68 HIS H 2.700 . 2.700 2.642 2.466 2.758 0.058 15 0 "[ . 1 .]" 1
535 1 67 ILE H 2 120 ALA MB 6.000 . 6.500 4.895 4.164 5.571 . 0 0 "[ . 1 .]" 1
536 1 67 ILE HB 2 120 ALA MB 5.000 . 5.500 3.441 2.690 4.299 . 0 0 "[ . 1 .]" 1
537 1 67 ILE MD 2 120 ALA HA 5.000 . 5.500 5.400 4.824 5.617 0.117 6 0 "[ . 1 .]" 1
538 1 67 ILE MD 2 120 ALA MB 2.700 . 3.700 3.077 2.598 3.322 . 0 0 "[ . 1 .]" 1
539 1 67 ILE MD 2 121 MET ME 5.000 . 6.000 6.024 5.852 6.101 0.101 4 0 "[ . 1 .]" 1
540 1 67 ILE MG 2 120 ALA HA 5.000 . 5.500 4.414 3.946 5.148 . 0 0 "[ . 1 .]" 1
541 1 67 ILE MG 2 120 ALA MB 2.700 . 3.700 2.210 1.866 2.828 . 0 0 "[ . 1 .]" 1
542 1 67 ILE MG 2 121 MET HA 6.000 . 6.500 4.205 3.470 4.720 . 0 0 "[ . 1 .]" 1
543 1 67 ILE MG 2 121 MET ME 3.500 . 4.500 3.688 3.216 4.085 . 0 0 "[ . 1 .]" 1
544 1 68 HIS HD2 1 72 LEU MD1 3.500 . 4.000 3.324 2.350 4.032 0.032 2 0 "[ . 1 .]" 1
545 1 68 HIS HD2 1 72 LEU MD2 3.500 . 4.000 3.328 2.425 4.009 0.009 8 0 "[ . 1 .]" 1
546 1 68 HIS HD2 2 121 MET HA 5.000 . 5.000 2.604 2.092 5.016 0.016 12 0 "[ . 1 .]" 1
547 1 68 HIS HD2 2 121 MET ME 2.700 . 3.200 2.649 2.191 3.540 0.340 12 0 "[ . 1 .]" 1
548 1 68 HIS HD2 2 124 GLY H 6.000 . 6.000 4.141 3.547 6.157 0.157 12 0 "[ . 1 .]" 1
549 1 68 HIS HD2 2 125 ALA H 5.000 . 5.000 3.316 2.851 4.671 . 0 0 "[ . 1 .]" 1
550 1 68 HIS HD2 2 125 ALA MB 3.500 . 4.000 3.796 3.366 4.143 0.143 12 0 "[ . 1 .]" 1
551 1 68 HIS HE1 1 72 LEU MD1 3.500 . 4.000 3.765 2.251 4.087 0.087 2 0 "[ . 1 .]" 1
552 1 68 HIS HE1 1 72 LEU MD2 3.500 . 4.000 3.156 2.233 4.196 0.196 13 0 "[ . 1 .]" 1
553 1 68 HIS HE1 2 125 ALA MB 5.000 . 5.500 5.094 3.088 5.606 0.106 15 0 "[ . 1 .]" 1
554 1 69 GLU HA 1 72 LEU H 5.000 . 5.000 4.042 3.645 4.472 . 0 0 "[ . 1 .]" 1
555 1 69 GLU HA 1 72 LEU QB 5.000 . 5.000 3.294 2.755 3.928 . 0 0 "[ . 1 .]" 1
556 1 69 GLU HA 1 72 LEU MD2 6.000 . 6.500 4.140 3.396 4.831 . 0 0 "[ . 1 .]" 1
557 1 70 GLN HA 1 73 ASN H 5.000 . 5.000 3.780 3.377 4.012 . 0 0 "[ . 1 .]" 1
558 1 70 GLN HA 1 73 ASN QB 5.000 . 5.000 2.815 2.418 3.150 . 0 0 "[ . 1 .]" 1
559 1 71 ASP HA 1 74 TRP H 5.000 . 5.000 3.941 3.605 4.225 . 0 0 "[ . 1 .]" 1
560 1 72 LEU H 1 73 ASN H 2.700 . 2.700 2.715 2.562 2.790 0.090 10 0 "[ . 1 .]" 1
561 1 72 LEU HA 1 75 LEU QB 5.000 . 5.000 2.402 2.085 2.707 . 0 0 "[ . 1 .]" 1
562 1 72 LEU HA 1 75 LEU MD1 5.000 . 5.500 4.352 3.590 5.063 . 0 0 "[ . 1 .]" 1
563 1 72 LEU HA 1 75 LEU MD2 5.000 . 5.500 3.199 2.757 3.679 . 0 0 "[ . 1 .]" 1
564 1 72 LEU QB 2 121 MET ME 5.000 . 5.500 3.034 1.898 4.679 . 0 0 "[ . 1 .]" 1
565 1 72 LEU MD1 1 75 LEU QB 3.500 . 4.000 3.782 3.378 4.073 0.073 13 0 "[ . 1 .]" 1
566 1 72 LEU MD1 1 75 LEU MD1 5.000 . 6.000 4.840 3.391 5.686 . 0 0 "[ . 1 .]" 1
567 1 72 LEU MD1 1 75 LEU MD2 2.700 . 3.700 3.146 2.460 3.521 . 0 0 "[ . 1 .]" 1
568 1 72 LEU MD1 1 76 GLN QB 5.000 . 5.500 5.633 5.566 5.696 0.196 2 0 "[ . 1 .]" 1
569 1 72 LEU MD1 1 76 GLN QG 3.500 . 4.000 4.051 3.933 4.175 0.175 15 0 "[ . 1 .]" 1
570 1 72 LEU MD1 1 94 TYR QD 5.000 . 5.500 3.753 3.168 4.406 . 0 0 "[ . 1 .]" 1
571 1 72 LEU MD1 1 94 TYR QE 3.500 . 4.000 2.108 1.879 2.332 . 0 0 "[ . 1 .]" 1
572 1 72 LEU MD1 2 101 ALA MB 5.000 . 6.000 6.171 6.116 6.240 0.240 11 0 "[ . 1 .]" 1
573 1 72 LEU MD1 2 120 ALA MB 6.000 . 7.000 7.136 6.669 7.326 0.326 12 0 "[ . 1 .]" 1
574 1 72 LEU MD1 2 121 MET ME 5.000 . 6.000 2.862 2.048 3.871 . 0 0 "[ . 1 .]" 1
575 1 72 LEU MD1 2 122 ILE MD 6.000 . 7.000 5.711 5.141 6.322 . 0 0 "[ . 1 .]" 1
576 1 72 LEU MD1 2 125 ALA MB 6.000 . 7.000 4.174 3.498 4.943 . 0 0 "[ . 1 .]" 1
577 1 72 LEU MD1 2 126 ALA MB 6.000 . 7.000 7.228 7.033 7.392 0.392 15 0 "[ . 1 .]" 1
578 1 72 LEU MD2 1 75 LEU QB 5.000 . 5.500 4.214 2.839 5.006 . 0 0 "[ . 1 .]" 1
579 1 72 LEU MD2 1 75 LEU MD2 3.500 . 4.500 4.055 2.521 4.545 0.045 7 0 "[ . 1 .]" 1
580 1 72 LEU MD2 1 76 GLN QG 6.000 . 6.500 4.281 3.136 5.562 . 0 0 "[ . 1 .]" 1
581 1 72 LEU MD2 1 94 TYR QD 5.000 . 5.500 4.930 3.765 5.714 0.214 5 0 "[ . 1 .]" 1
582 1 72 LEU MD2 1 94 TYR QE 3.500 . 4.000 3.316 2.258 4.053 0.053 7 0 "[ . 1 .]" 1
583 1 72 LEU MD2 2 121 MET ME 2.700 . 3.700 3.077 1.826 3.989 0.289 8 0 "[ . 1 .]" 1
584 1 72 LEU HG 2 121 MET ME 3.500 . 4.000 4.006 3.408 4.175 0.175 10 0 "[ . 1 .]" 1
585 1 73 ASN H 1 74 TRP H 2.700 . 2.700 2.784 2.713 2.828 0.128 10 0 "[ . 1 .]" 1
586 1 73 ASN HA 1 76 GLN H 3.500 . 3.500 3.504 3.423 3.631 0.131 15 0 "[ . 1 .]" 1
587 1 73 ASN HA 1 76 GLN QB 5.000 . 5.000 3.028 2.695 4.236 . 0 0 "[ . 1 .]" 1
588 1 73 ASN HA 1 76 GLN QE 3.500 . 3.500 3.296 2.596 3.539 0.039 9 0 "[ . 1 .]" 1
589 1 73 ASN HA 1 76 GLN QG 5.000 . 5.000 3.466 2.266 4.028 . 0 0 "[ . 1 .]" 1
590 1 73 ASN HA 1 77 GLN H 5.000 . 5.000 4.569 4.413 4.670 . 0 0 "[ . 1 .]" 1
591 1 73 ASN HA 1 77 GLN QE 5.000 . 5.000 4.547 3.706 5.073 0.073 15 0 "[ . 1 .]" 1
592 1 74 TRP H 1 74 TRP HD1 5.000 . 5.000 4.725 4.478 5.141 0.141 12 0 "[ . 1 .]" 1
593 1 74 TRP H 1 75 LEU H 2.700 . 2.700 2.690 2.486 2.749 0.049 11 0 "[ . 1 .]" 1
594 1 74 TRP HA 1 77 GLN H 5.000 . 5.000 2.856 2.570 3.123 . 0 0 "[ . 1 .]" 1
595 1 74 TRP HA 1 77 GLN QB 5.000 . 5.000 2.628 1.930 4.040 . 0 0 "[ . 1 .]" 1
596 1 74 TRP HA 1 77 GLN QE 5.000 . 5.000 2.019 1.760 2.572 0.040 6 0 "[ . 1 .]" 1
597 1 74 TRP HA 1 77 GLN QG 5.000 . 5.000 2.642 1.970 3.554 . 0 0 "[ . 1 .]" 1
598 1 74 TRP HD1 1 77 GLN QE 5.000 . 5.000 3.021 2.222 5.015 0.015 9 0 "[ . 1 .]" 1
599 1 74 TRP HE1 1 77 GLN QE 5.000 . 5.000 3.436 2.323 4.695 . 0 0 "[ . 1 .]" 1
600 1 74 TRP HE3 1 77 GLN QE 5.000 . 5.000 4.669 2.316 5.114 0.114 6 0 "[ . 1 .]" 1
601 1 75 LEU H 1 76 GLN H 2.700 . 2.700 2.706 2.501 2.759 0.059 11 0 "[ . 1 .]" 1
602 1 75 LEU HA 1 78 ALA H 3.500 . 3.500 3.528 3.406 3.633 0.133 15 0 "[ . 1 .]" 1
603 1 75 LEU HA 1 78 ALA MB 3.500 . 4.000 2.431 2.243 2.700 . 0 0 "[ . 1 .]" 1
604 1 75 LEU MD1 1 78 ALA MB 3.500 . 4.500 3.379 2.892 4.377 . 0 0 "[ . 1 .]" 1
605 1 75 LEU MD1 1 81 VAL MG1 5.000 . 6.000 2.278 2.037 2.986 . 0 0 "[ . 1 .]" 1
606 1 75 LEU MD1 1 81 VAL MG2 3.500 . 4.500 2.609 2.171 3.665 . 0 0 "[ . 1 .]" 1
607 1 75 LEU MD1 1 95 GLU HA 6.000 . 6.500 3.838 2.755 4.500 . 0 0 "[ . 1 .]" 1
608 1 75 LEU MD1 1 99 ALA MB 3.500 . 4.500 2.936 2.269 3.374 . 0 0 "[ . 1 .]" 1
609 1 75 LEU MD1 2 121 MET ME 5.000 . 6.000 4.691 3.890 5.697 . 0 0 "[ . 1 .]" 1
610 1 75 LEU MD2 1 81 VAL MG2 5.000 . 6.000 4.167 3.533 4.604 . 0 0 "[ . 1 .]" 1
611 1 75 LEU MD2 1 95 GLU HA 6.000 . 6.500 3.076 2.287 3.869 . 0 0 "[ . 1 .]" 1
612 1 75 LEU MD2 1 98 ARG H 5.000 . 5.500 4.412 3.976 4.828 . 0 0 "[ . 1 .]" 1
613 1 75 LEU MD2 1 98 ARG QD 5.000 . 5.500 3.550 2.301 4.041 . 0 0 "[ . 1 .]" 1
614 1 75 LEU MD2 1 99 ALA H 3.500 . 4.000 3.278 2.854 3.642 . 0 0 "[ . 1 .]" 1
615 1 75 LEU MD2 1 99 ALA HA 5.000 . 5.500 3.427 2.910 4.328 . 0 0 "[ . 1 .]" 1
616 1 75 LEU MD2 1 99 ALA MB 3.500 . 4.500 3.038 2.544 3.637 . 0 0 "[ . 1 .]" 1
617 1 75 LEU MD2 1 100 VAL H 5.000 . 5.500 5.331 4.948 5.562 0.062 8 0 "[ . 1 .]" 1
618 1 75 LEU MD2 1 102 LEU MD1 3.500 . 4.500 2.706 1.857 3.694 . 0 0 "[ . 1 .]" 1
619 1 75 LEU MD2 2 121 MET ME 5.000 . 6.000 4.108 3.427 4.795 . 0 0 "[ . 1 .]" 1
620 1 75 LEU HG 1 102 LEU MD1 3.500 . 4.000 3.221 2.500 4.034 0.034 4 0 "[ . 1 .]" 1
621 1 76 GLN H 1 77 GLN H 2.700 . 2.700 2.526 2.350 2.717 0.017 11 0 "[ . 1 .]" 1
622 1 76 GLN H 1 102 LEU MD1 3.500 . 4.000 3.909 3.388 4.151 0.151 5 0 "[ . 1 .]" 1
623 1 76 GLN H 1 102 LEU MD2 5.000 . 5.500 5.126 4.637 5.532 0.032 11 0 "[ . 1 .]" 1
624 1 76 GLN HA 1 78 ALA H 3.500 . 3.500 3.675 3.624 3.790 0.290 11 0 "[ . 1 .]" 1
625 1 76 GLN HA 1 102 LEU MD1 3.500 . 4.000 2.208 1.946 2.644 . 0 0 "[ . 1 .]" 1
626 1 76 GLN HA 1 102 LEU MD2 5.000 . 5.500 3.521 2.668 3.902 . 0 0 "[ . 1 .]" 1
627 1 76 GLN QB 1 102 LEU MD1 5.000 . 5.500 3.099 2.019 3.709 . 0 0 "[ . 1 .]" 1
628 1 76 GLN QB 1 102 LEU MD2 5.000 . 5.500 3.418 2.012 4.184 . 0 0 "[ . 1 .]" 1
629 1 76 GLN QE 1 102 LEU MD1 3.500 . 4.000 3.874 3.564 4.078 0.078 9 0 "[ . 1 .]" 1
630 1 76 GLN QE 1 102 LEU MD2 6.000 . 6.500 3.860 3.129 5.207 . 0 0 "[ . 1 .]" 1
631 1 76 GLN QG 1 102 LEU MD1 3.500 . 4.000 2.094 1.980 2.485 . 0 0 "[ . 1 .]" 1
632 1 76 GLN QG 1 102 LEU MD2 5.000 . 5.500 2.423 1.969 3.916 . 0 0 "[ . 1 .]" 1
633 1 77 GLN H 1 78 ALA H 2.700 . 2.700 2.409 2.311 2.480 . 0 0 "[ . 1 .]" 1
634 1 78 ALA HA 1 79 ASP H 2.700 . 2.700 2.161 2.143 2.187 . 0 0 "[ . 1 .]" 1
635 1 78 ALA HA 1 80 VAL H 3.500 . 3.500 3.631 3.534 3.738 0.238 15 0 "[ . 1 .]" 1
636 1 78 ALA MB 1 80 VAL H 3.500 . 4.000 2.980 2.784 3.097 . 0 0 "[ . 1 .]" 1
637 1 78 ALA MB 1 81 VAL MG2 3.500 . 4.500 1.903 1.843 2.037 . 0 0 "[ . 1 .]" 1
638 1 78 ALA MB 1 104 LYS QE 6.000 . 6.500 4.906 3.051 6.550 0.050 10 0 "[ . 1 .]" 1
639 1 79 ASP HA 1 80 VAL H 3.500 . 3.500 3.485 3.405 3.510 0.010 15 0 "[ . 1 .]" 1
640 1 79 ASP HA 1 80 VAL MG2 5.000 . 5.500 4.110 3.976 4.295 . 0 0 "[ . 1 .]" 1
641 1 80 VAL HA 1 80 VAL MG2 3.500 . 4.000 2.376 2.261 2.468 . 0 0 "[ . 1 .]" 1
642 1 80 VAL HA 1 81 VAL H 2.700 . 2.700 2.311 2.223 2.489 . 0 0 "[ . 1 .]" 1
643 1 80 VAL HA 1 105 PRO QG 6.000 . 6.000 2.648 2.035 4.279 . 0 0 "[ . 1 .]" 1
644 1 80 VAL MG1 1 81 VAL H 2.700 . 3.200 2.271 1.785 2.499 0.015 4 0 "[ . 1 .]" 1
645 1 80 VAL MG1 1 105 PRO QB 5.000 . 5.500 2.738 2.238 3.445 . 0 0 "[ . 1 .]" 1
646 1 80 VAL MG1 1 105 PRO QG 5.000 . 5.500 3.462 2.184 4.267 . 0 0 "[ . 1 .]" 1
647 1 80 VAL MG1 1 148 TYR QD 5.000 . 5.500 4.217 3.877 4.436 . 0 0 "[ . 1 .]" 1
648 1 80 VAL MG1 1 148 TYR QE 3.500 . 4.000 2.982 2.487 3.507 . 0 0 "[ . 1 .]" 1
649 1 80 VAL MG1 1 149 PHE QD 5.000 . 5.500 4.453 4.157 4.959 . 0 0 "[ . 1 .]" 1
650 1 80 VAL MG1 1 149 PHE QE 3.500 . 4.000 2.630 2.216 3.592 . 0 0 "[ . 1 .]" 1
651 1 80 VAL MG1 1 149 PHE HZ 3.500 . 4.000 2.981 2.264 4.029 0.029 13 0 "[ . 1 .]" 1
652 1 80 VAL MG1 1 153 LEU MD1 6.000 . 7.000 4.853 4.047 5.676 . 0 0 "[ . 1 .]" 1
653 1 80 VAL MG1 1 153 LEU MD2 6.000 . 7.000 5.442 4.771 5.784 . 0 0 "[ . 1 .]" 1
654 1 80 VAL MG2 1 81 VAL H 3.500 . 4.000 3.934 3.734 4.073 0.073 13 0 "[ . 1 .]" 1
655 1 80 VAL MG2 1 105 PRO QB 3.500 . 4.000 3.451 2.954 3.936 . 0 0 "[ . 1 .]" 1
656 1 80 VAL MG2 1 105 PRO QG 3.500 . 4.000 3.108 2.241 3.893 . 0 0 "[ . 1 .]" 1
657 1 80 VAL MG2 1 148 TYR QD 6.000 . 6.500 5.445 5.174 5.632 . 0 0 "[ . 1 .]" 1
658 1 80 VAL MG2 1 148 TYR QE 3.500 . 4.000 3.950 3.597 4.088 0.088 4 0 "[ . 1 .]" 1
659 1 80 VAL MG2 1 149 PHE QD 5.000 . 5.500 4.700 4.286 5.265 . 0 0 "[ . 1 .]" 1
660 1 80 VAL MG2 1 149 PHE QE 5.000 . 5.500 3.103 2.534 3.894 . 0 0 "[ . 1 .]" 1
661 1 80 VAL MG2 1 152 TYR QD 5.000 . 5.500 4.347 3.652 4.922 . 0 0 "[ . 1 .]" 1
662 1 80 VAL MG2 1 152 TYR QE 3.500 . 4.000 3.034 2.280 3.532 . 0 0 "[ . 1 .]" 1
663 1 80 VAL MG2 1 153 LEU MD1 5.000 . 6.000 4.664 3.853 5.601 . 0 0 "[ . 1 .]" 1
664 1 80 VAL MG2 1 153 LEU MD2 3.500 . 4.500 4.422 3.698 4.567 0.067 14 0 "[ . 1 .]" 1
665 1 80 VAL MG2 1 156 LYS QE 5.000 . 5.500 5.113 4.519 5.489 . 0 0 "[ . 1 .]" 1
666 1 81 VAL H 1 81 VAL MG2 2.700 . 3.200 2.968 2.830 3.073 . 0 0 "[ . 1 .]" 1
667 1 81 VAL H 1 105 PRO QG 6.000 . 6.000 3.555 1.850 5.258 . 0 0 "[ . 1 .]" 1
668 1 81 VAL HA 1 82 VAL H 2.700 . 2.700 2.174 2.149 2.241 . 0 0 "[ . 1 .]" 1
669 1 81 VAL MG1 1 82 VAL H 2.700 . 3.200 2.357 1.856 2.857 . 0 0 "[ . 1 .]" 1
670 1 81 VAL MG1 1 96 LEU MD2 3.500 . 4.500 3.715 3.098 3.964 . 0 0 "[ . 1 .]" 1
671 1 81 VAL MG1 1 106 ILE HA 6.000 . 6.500 3.385 3.029 4.113 . 0 0 "[ . 1 .]" 1
672 1 81 VAL MG1 1 106 ILE MD 5.000 . 6.000 4.680 4.069 5.543 . 0 0 "[ . 1 .]" 1
673 1 81 VAL MG1 1 106 ILE MG 2.700 . 3.700 2.928 2.211 3.589 . 0 0 "[ . 1 .]" 1
674 1 81 VAL MG1 1 107 LEU H 5.000 . 5.500 3.925 3.499 4.484 . 0 0 "[ . 1 .]" 1
675 1 81 VAL MG2 1 96 LEU MD2 5.000 . 6.000 5.755 5.113 6.067 0.067 15 0 "[ . 1 .]" 1
676 1 81 VAL MG2 1 106 ILE HA 6.000 . 6.500 4.493 3.915 4.854 . 0 0 "[ . 1 .]" 1
677 1 81 VAL MG2 1 106 ILE MG 5.000 . 6.000 4.565 3.475 5.006 . 0 0 "[ . 1 .]" 1
678 1 82 VAL H 1 82 VAL MG2 3.500 . 4.000 2.818 2.559 3.047 . 0 0 "[ . 1 .]" 1
679 1 82 VAL HA 1 83 ALA H 2.700 . 2.700 2.305 2.172 2.616 . 0 0 "[ . 1 .]" 1
680 1 82 VAL HA 1 96 LEU MD2 5.000 . 5.500 4.880 4.540 5.396 . 0 0 "[ . 1 .]" 1
681 1 82 VAL HA 1 106 ILE MG 6.000 . 6.500 4.227 3.571 4.772 . 0 0 "[ . 1 .]" 1
682 1 82 VAL HA 1 107 LEU H 3.500 . 3.500 2.553 2.194 3.032 . 0 0 "[ . 1 .]" 1
683 1 82 VAL MG1 1 83 ALA H 2.700 . 3.200 2.500 1.748 3.069 0.052 3 0 "[ . 1 .]" 1
684 1 82 VAL MG1 1 107 LEU H 6.000 . 6.500 3.986 3.641 4.695 . 0 0 "[ . 1 .]" 1
685 1 82 VAL MG1 1 107 LEU MD1 5.000 . 6.000 4.078 3.691 4.703 . 0 0 "[ . 1 .]" 1
686 1 82 VAL MG1 1 107 LEU MD2 2.700 . 3.700 2.282 2.036 2.933 . 0 0 "[ . 1 .]" 1
687 1 82 VAL MG1 1 109 LEU MD1 3.500 . 4.500 2.220 1.989 2.590 . 0 0 "[ . 1 .]" 1
688 1 82 VAL MG1 1 109 LEU MD2 5.000 . 6.000 3.768 3.257 4.750 . 0 0 "[ . 1 .]" 1
689 1 82 VAL MG1 1 145 LEU MD2 5.000 . 6.000 2.295 2.094 2.590 . 0 0 "[ . 1 .]" 1
690 1 82 VAL MG1 1 149 PHE QE 5.000 . 5.500 4.869 4.318 5.243 . 0 0 "[ . 1 .]" 1
691 1 82 VAL MG1 1 149 PHE HZ 5.000 . 5.500 5.385 4.781 5.545 0.045 8 0 "[ . 1 .]" 1
692 1 82 VAL MG2 1 107 LEU H 5.000 . 5.500 3.435 2.884 3.907 . 0 0 "[ . 1 .]" 1
693 1 82 VAL MG2 1 107 LEU MD2 3.500 . 4.500 2.545 2.191 2.932 . 0 0 "[ . 1 .]" 1
694 1 82 VAL MG2 1 145 LEU MD1 5.000 . 6.000 4.349 3.715 4.688 . 0 0 "[ . 1 .]" 1
695 1 82 VAL MG2 1 148 TYR QD 6.000 . 6.500 4.543 3.968 4.842 . 0 0 "[ . 1 .]" 1
696 1 82 VAL MG2 1 148 TYR QE 5.000 . 5.500 4.563 3.915 4.913 . 0 0 "[ . 1 .]" 1
697 1 82 VAL MG2 1 149 PHE QE 3.500 . 4.000 3.649 3.243 3.980 . 0 0 "[ . 1 .]" 1
698 1 82 VAL MG2 1 149 PHE HZ 3.500 . 4.000 3.374 2.906 3.705 . 0 0 "[ . 1 .]" 1
699 1 83 ALA H 1 107 LEU H 5.000 . 5.000 3.911 3.446 4.433 . 0 0 "[ . 1 .]" 1
700 1 83 ALA H 1 107 LEU MD2 5.000 . 5.500 4.814 4.308 5.342 . 0 0 "[ . 1 .]" 1
701 1 83 ALA H 1 108 CYS HA 3.500 . 3.500 2.839 2.624 3.403 . 0 0 "[ . 1 .]" 1
702 1 83 ALA MB 1 85 VAL MG1 3.500 . 4.500 3.905 3.002 4.603 0.103 13 0 "[ . 1 .]" 1
703 1 83 ALA MB 1 85 VAL MG2 6.000 . 7.000 3.393 2.785 4.556 . 0 0 "[ . 1 .]" 1
704 1 83 ALA MB 1 92 VAL MG1 5.000 . 6.000 2.500 2.070 3.286 . 0 0 "[ . 1 .]" 1
705 1 83 ALA MB 1 96 LEU MD1 3.500 . 4.500 2.732 2.210 4.383 . 0 0 "[ . 1 .]" 1
706 1 83 ALA MB 1 96 LEU MD2 3.500 . 4.500 2.025 1.908 2.362 . 0 0 "[ . 1 .]" 1
707 1 83 ALA MB 1 108 CYS HA 5.000 . 5.500 2.964 2.471 3.481 . 0 0 "[ . 1 .]" 1
708 1 84 GLU HA 1 85 VAL H 2.700 . 2.700 2.218 2.160 2.334 . 0 0 "[ . 1 .]" 1
709 1 84 GLU HA 1 109 LEU H 3.500 . 3.500 2.726 2.188 3.297 . 0 0 "[ . 1 .]" 1
710 1 85 VAL H 1 85 VAL MG2 2.700 . 3.200 2.049 1.759 2.419 0.041 7 0 "[ . 1 .]" 1
711 1 85 VAL H 1 109 LEU H 5.000 . 5.000 2.851 2.424 3.430 . 0 0 "[ . 1 .]" 1
712 1 85 VAL HA 1 85 VAL MG1 2.700 . 3.200 2.144 2.042 2.258 . 0 0 "[ . 1 .]" 1
713 1 85 VAL HA 1 92 VAL MG1 5.000 . 5.500 2.772 2.109 4.764 . 0 0 "[ . 1 .]" 1
714 1 85 VAL HA 2 90 LEU MD1 5.000 . 5.500 3.968 2.829 5.374 . 0 0 "[ . 1 .]" 1
715 1 85 VAL HA 2 90 LEU MD2 5.000 . 5.500 4.026 2.409 5.515 0.015 14 0 "[ . 1 .]" 1
716 1 85 VAL HB 2 90 LEU MD1 5.000 . 5.500 3.632 2.116 5.243 . 0 0 "[ . 1 .]" 1
717 1 85 VAL MG1 1 92 VAL MG1 5.000 . 6.000 2.358 1.796 2.974 0.004 5 0 "[ . 1 .]" 1
718 1 85 VAL MG1 1 96 LEU MD1 3.500 . 4.500 2.585 1.835 3.574 . 0 0 "[ . 1 .]" 1
719 1 85 VAL MG1 1 108 CYS QB 5.000 . 5.500 3.704 1.993 4.463 . 0 0 "[ . 1 .]" 1
720 1 85 VAL MG1 1 109 LEU H 5.000 . 5.500 4.569 3.632 5.281 . 0 0 "[ . 1 .]" 1
721 1 85 VAL MG1 1 118 LEU MD1 5.000 . 6.000 2.422 1.813 3.495 . 0 0 "[ . 1 .]" 1
722 1 85 VAL MG1 1 118 LEU MD2 5.000 . 6.000 4.019 3.066 5.495 . 0 0 "[ . 1 .]" 1
723 1 85 VAL MG1 1 122 ILE MD 5.000 . 6.000 3.745 2.358 4.472 . 0 0 "[ . 1 .]" 1
724 1 85 VAL MG1 1 122 ILE MG 5.000 . 6.000 3.025 1.940 4.119 . 0 0 "[ . 1 .]" 1
725 1 85 VAL MG1 1 131 PHE QE 6.000 . 6.500 5.951 4.361 6.581 0.081 3 0 "[ . 1 .]" 1
726 1 85 VAL MG1 1 131 PHE HZ 6.000 . 6.500 5.653 3.794 6.529 0.029 5 0 "[ . 1 .]" 1
727 1 85 VAL MG1 1 133 VAL MG1 5.000 . 6.000 5.010 3.672 6.089 0.089 14 0 "[ . 1 .]" 1
728 1 85 VAL MG1 2 90 LEU MD1 3.500 . 4.500 2.368 1.782 3.782 0.018 6 0 "[ . 1 .]" 1
729 1 85 VAL MG1 2 90 LEU MD2 2.700 . 3.700 2.604 1.899 3.808 0.108 14 0 "[ . 1 .]" 1
730 1 85 VAL MG2 1 110 PHE H 5.000 . 5.500 4.236 2.967 4.898 . 0 0 "[ . 1 .]" 1
731 1 85 VAL MG2 1 110 PHE HA 5.000 . 5.500 3.716 2.898 4.246 . 0 0 "[ . 1 .]" 1
732 1 85 VAL MG2 1 110 PHE QD 5.000 . 5.500 4.918 3.918 5.625 0.125 12 0 "[ . 1 .]" 1
733 1 85 VAL MG2 1 118 LEU MD1 2.700 . 3.700 2.275 1.850 2.780 . 0 0 "[ . 1 .]" 1
734 1 85 VAL MG2 1 118 LEU MD2 3.500 . 4.500 3.149 2.159 4.064 . 0 0 "[ . 1 .]" 1
735 1 85 VAL MG2 2 90 LEU MD1 5.000 . 6.000 3.965 3.359 4.577 . 0 0 "[ . 1 .]" 1
736 1 85 VAL MG2 2 90 LEU MD2 5.000 . 6.000 4.325 3.539 5.619 . 0 0 "[ . 1 .]" 1
737 1 86 THR H 1 110 PHE QD 5.000 . 5.000 4.861 3.715 5.235 0.235 4 0 "[ . 1 .]" 1
738 1 86 THR H 1 111 ARG H 5.000 . 5.000 4.546 3.521 5.161 0.161 15 0 "[ . 1 .]" 1
739 1 86 THR H 1 118 LEU MD1 5.000 . 5.500 4.452 2.858 5.588 0.088 8 0 "[ . 1 .]" 1
740 1 86 THR HA 1 87 GLN H 5.000 . 5.000 3.424 3.043 3.579 . 0 0 "[ . 1 .]" 1
741 1 86 THR HA 1 110 PHE QD 5.000 . 5.000 2.817 2.199 3.396 . 0 0 "[ . 1 .]" 1
742 1 86 THR HA 1 110 PHE QE 5.000 . 5.000 4.694 3.994 5.136 0.136 11 0 "[ . 1 .]" 1
743 1 86 THR HA 1 114 SER QB 5.000 . 5.000 5.007 4.686 5.152 0.152 14 0 "[ . 1 .]" 1
744 1 86 THR MG 1 110 PHE QB 5.000 . 5.500 4.445 3.610 5.472 . 0 0 "[ . 1 .]" 1
745 1 86 THR MG 1 110 PHE QD 5.000 . 5.500 3.560 2.256 4.623 . 0 0 "[ . 1 .]" 1
746 1 86 THR MG 1 110 PHE QE 6.000 . 6.500 4.434 3.040 5.483 . 0 0 "[ . 1 .]" 1
747 1 86 THR MG 1 111 ARG H 3.500 . 4.000 2.221 1.749 2.860 0.051 4 0 "[ . 1 .]" 1
748 1 86 THR MG 1 111 ARG QB 3.500 . 4.000 2.257 1.962 3.617 . 0 0 "[ . 1 .]" 1
749 1 86 THR MG 1 113 GLN QG 5.000 . 5.500 3.875 2.637 4.431 . 0 0 "[ . 1 .]" 1
750 1 86 THR MG 1 114 SER HA 5.000 . 5.500 5.031 3.839 5.556 0.056 11 0 "[ . 1 .]" 1
751 1 86 THR MG 1 114 SER QB 3.500 . 4.000 2.699 2.063 3.265 . 0 0 "[ . 1 .]" 1
752 1 86 THR MG 1 116 ARG H 5.000 . 5.500 4.039 2.963 4.752 . 0 0 "[ . 1 .]" 1
753 1 86 THR MG 1 116 ARG QD 3.500 . 4.000 2.557 1.892 4.067 0.067 4 0 "[ . 1 .]" 1
754 1 86 THR MG 1 116 ARG QG 5.000 . 5.500 3.395 1.935 5.420 . 0 0 "[ . 1 .]" 1
755 1 86 THR MG 1 118 LEU MD1 5.000 . 6.000 5.614 4.731 6.136 0.136 4 0 "[ . 1 .]" 1
756 1 86 THR MG 1 136 TYR QD 5.000 . 5.500 5.460 4.934 5.555 0.055 4 0 "[ . 1 .]" 1
757 1 86 THR MG 1 136 TYR QE 6.000 . 6.500 4.201 3.751 4.476 . 0 0 "[ . 1 .]" 1
758 1 87 GLN HA 1 88 PRO QD 5.000 . 5.000 2.241 1.953 3.454 . 0 0 "[ . 1 .]" 1
759 1 87 GLN HA 1 116 ARG QD 5.000 . 5.000 3.021 2.123 4.954 . 0 0 "[ . 1 .]" 1
760 1 87 GLN QB 1 89 SER QB 6.000 . 6.000 4.926 3.184 6.194 0.194 15 0 "[ . 1 .]" 1
761 1 87 GLN QG 1 88 PRO QD 3.500 . 3.500 3.035 2.046 3.565 0.065 15 0 "[ . 1 .]" 1
762 1 87 GLN QG 1 89 SER QB 5.000 . 5.000 4.261 2.956 5.081 0.081 14 0 "[ . 1 .]" 1
763 1 87 GLN QG 1 116 ARG QD 5.000 . 5.000 4.484 3.598 5.009 0.009 2 0 "[ . 1 .]" 1
764 1 88 PRO HA 2 90 LEU MD1 5.000 . 5.500 3.292 2.110 5.543 0.043 15 0 "[ . 1 .]" 1
765 1 88 PRO HA 2 90 LEU MD2 5.000 . 5.500 3.251 2.001 5.443 . 0 0 "[ . 1 .]" 1
766 1 88 PRO QB 2 90 LEU MD1 5.000 . 5.500 4.212 3.007 5.563 0.063 14 0 "[ . 1 .]" 1
767 1 88 PRO QD 1 116 ARG QD 3.500 . 3.500 3.476 2.911 3.813 0.313 15 0 "[ . 1 .]" 1
768 1 89 SER H 1 92 VAL MG1 5.000 . 5.500 4.943 3.512 5.609 0.109 14 0 "[ . 1 .]" 1
769 1 89 SER H 1 93 GLY H 6.000 . 6.000 4.585 3.930 6.116 0.116 14 0 "[ . 1 .]" 1
770 1 89 SER H 2 90 LEU MD2 3.500 . 4.000 2.350 1.704 3.540 0.096 3 0 "[ . 1 .]" 1
771 1 89 SER HA 1 90 LEU H 3.500 . 3.500 2.334 2.154 3.254 . 0 0 "[ . 1 .]" 1
772 1 89 SER HA 1 92 VAL HB 5.000 . 5.000 4.673 3.149 5.034 0.034 12 0 "[ . 1 .]" 1
773 1 89 SER HA 1 92 VAL MG2 3.500 . 4.000 4.092 3.794 4.238 0.238 6 0 "[ . 1 .]" 1
774 1 89 SER HA 1 93 GLY H 5.000 . 5.000 5.098 4.641 5.338 0.338 5 0 "[ . 1 .]" 1
775 1 89 SER HA 2 90 LEU MD2 5.000 . 5.500 4.144 2.086 5.459 . 0 0 "[ . 1 .]" 1
776 1 89 SER QB 1 92 VAL MG2 5.000 . 5.500 2.336 1.822 4.642 . 0 0 "[ . 1 .]" 1
777 1 89 SER QB 2 90 LEU MD2 5.000 . 5.500 3.114 1.828 4.545 . 0 0 "[ . 1 .]" 1
778 1 90 LEU HA 1 93 GLY H 3.500 . 3.500 3.389 3.142 3.562 0.062 15 0 "[ . 1 .]" 1
779 1 90 LEU HA 2 92 VAL MG1 6.000 . 7.000 5.657 4.381 6.877 . 0 0 "[ . 1 .]" 1
780 1 90 LEU MD1 2 85 VAL HA 5.000 . 5.500 3.970 2.836 5.383 . 0 0 "[ . 1 .]" 1
781 1 90 LEU MD1 2 85 VAL HB 5.000 . 5.500 3.632 2.112 5.258 . 0 0 "[ . 1 .]" 1
782 1 90 LEU MD1 2 85 VAL MG1 3.500 . 4.500 2.371 1.784 3.751 0.016 6 0 "[ . 1 .]" 1
783 1 90 LEU MD1 2 85 VAL MG2 5.000 . 6.000 3.967 3.355 4.565 . 0 0 "[ . 1 .]" 1
784 1 90 LEU MD1 2 88 PRO HA 5.000 . 5.500 3.292 2.113 5.547 0.047 15 0 "[ . 1 .]" 1
785 1 90 LEU MD1 2 88 PRO QB 5.000 . 5.500 4.210 3.013 5.547 0.047 14 0 "[ . 1 .]" 1
786 1 90 LEU MD1 2 92 VAL MG1 5.000 . 6.000 3.885 2.702 5.262 . 0 0 "[ . 1 .]" 1
787 1 90 LEU MD1 2 118 LEU HA 5.000 . 5.500 3.864 2.231 5.567 0.067 3 0 "[ . 1 .]" 1
788 1 90 LEU MD1 2 118 LEU MD1 3.500 . 4.500 3.044 1.849 4.058 . 0 0 "[ . 1 .]" 1
789 1 90 LEU MD1 2 119 SER HA 6.000 . 6.500 4.540 3.553 5.914 . 0 0 "[ . 1 .]" 1
790 1 90 LEU MD1 2 119 SER QB 5.000 . 5.500 2.934 2.094 3.699 . 0 0 "[ . 1 .]" 1
791 1 90 LEU MD1 2 122 ILE MD 3.500 . 4.500 3.773 2.250 4.547 0.047 1 0 "[ . 1 .]" 1
792 1 90 LEU MD1 2 122 ILE MG 5.000 . 6.000 3.880 3.090 4.625 . 0 0 "[ . 1 .]" 1
793 1 90 LEU MD2 2 85 VAL HA 5.000 . 5.500 4.027 2.415 5.516 0.016 14 0 "[ . 1 .]" 1
794 1 90 LEU MD2 2 85 VAL MG1 2.700 . 3.700 2.604 1.920 3.801 0.101 14 0 "[ . 1 .]" 1
795 1 90 LEU MD2 2 85 VAL MG2 5.000 . 6.000 4.326 3.517 5.621 . 0 0 "[ . 1 .]" 1
796 1 90 LEU MD2 2 88 PRO HA 5.000 . 5.500 3.250 2.003 5.428 . 0 0 "[ . 1 .]" 1
797 1 90 LEU MD2 2 89 SER H 3.500 . 4.000 2.350 1.709 3.531 0.091 3 0 "[ . 1 .]" 1
798 1 90 LEU MD2 2 89 SER HA 5.000 . 5.500 4.143 2.067 5.466 . 0 0 "[ . 1 .]" 1
799 1 90 LEU MD2 2 89 SER QB 5.000 . 5.500 3.115 1.832 4.547 . 0 0 "[ . 1 .]" 1
800 1 90 LEU MD2 2 92 VAL HB 5.000 . 5.500 3.020 1.954 5.044 . 0 0 "[ . 1 .]" 1
801 1 90 LEU MD2 2 92 VAL MG1 3.500 . 4.500 3.338 2.021 4.589 0.089 11 0 "[ . 1 .]" 1
802 1 90 LEU MD2 2 92 VAL MG2 5.000 . 6.000 3.954 2.853 5.686 . 0 0 "[ . 1 .]" 1
803 1 90 LEU MD2 2 93 GLY H 5.000 . 5.500 2.930 1.842 5.298 . 0 0 "[ . 1 .]" 1
804 1 90 LEU MD2 2 93 GLY QA 5.000 . 5.500 2.825 2.037 4.580 . 0 0 "[ . 1 .]" 1
805 1 90 LEU MD2 2 96 LEU MD1 5.000 . 6.000 3.806 2.798 5.391 . 0 0 "[ . 1 .]" 1
806 1 90 LEU MD2 2 118 LEU MD1 5.000 . 6.000 3.987 1.948 5.555 . 0 0 "[ . 1 .]" 1
807 1 90 LEU MD2 2 122 ILE MD 3.500 . 4.500 3.829 2.620 4.652 0.152 14 0 "[ . 1 .]" 1
808 1 90 LEU MD2 2 122 ILE MG 5.000 . 6.000 4.478 3.370 5.676 . 0 0 "[ . 1 .]" 1
809 1 91 GLY H 1 92 VAL H 2.700 . 2.700 2.701 2.380 2.809 0.109 5 0 "[ . 1 .]" 1
810 1 91 GLY QA 2 121 MET ME 5.000 . 5.500 4.625 4.008 5.287 . 0 0 "[ . 1 .]" 1
811 1 92 VAL H 1 92 VAL MG2 2.700 . 3.200 2.039 1.790 3.017 0.010 9 0 "[ . 1 .]" 1
812 1 92 VAL H 1 93 GLY H 2.700 . 2.700 2.571 2.298 2.705 0.005 2 0 "[ . 1 .]" 1
813 1 92 VAL HB 1 93 GLY H 3.500 . 3.500 2.441 2.184 2.692 . 0 0 "[ . 1 .]" 1
814 1 92 VAL HB 2 90 LEU MD2 5.000 . 5.500 3.019 1.949 5.051 . 0 0 "[ . 1 .]" 1
815 1 92 VAL MG1 1 93 GLY H 3.500 . 4.000 3.470 2.748 3.781 . 0 0 "[ . 1 .]" 1
816 1 92 VAL MG1 1 96 LEU MD1 5.000 . 6.000 2.603 2.021 5.398 . 0 0 "[ . 1 .]" 1
817 1 92 VAL MG1 1 122 ILE MD 5.000 . 6.000 4.581 3.707 5.066 . 0 0 "[ . 1 .]" 1
818 1 92 VAL MG1 2 90 LEU HA 6.000 . 7.000 5.654 4.375 6.862 . 0 0 "[ . 1 .]" 1
819 1 92 VAL MG1 2 90 LEU MD1 5.000 . 6.000 3.879 2.695 5.287 . 0 0 "[ . 1 .]" 1
820 1 92 VAL MG1 2 90 LEU MD2 3.500 . 4.500 3.335 2.014 4.578 0.078 11 0 "[ . 1 .]" 1
821 1 92 VAL MG2 2 90 LEU MD2 5.000 . 6.000 3.953 2.840 5.689 . 0 0 "[ . 1 .]" 1
822 1 93 GLY H 1 94 TYR H 2.700 . 2.700 2.632 2.515 2.741 0.041 1 0 "[ . 1 .]" 1
823 1 93 GLY H 1 122 ILE MD 5.000 . 5.500 5.013 4.706 5.297 . 0 0 "[ . 1 .]" 1
824 1 93 GLY H 2 90 LEU MD2 5.000 . 5.500 2.928 1.866 5.291 . 0 0 "[ . 1 .]" 1
825 1 93 GLY QA 1 96 LEU H 3.500 . 3.500 3.419 3.218 3.530 0.030 11 0 "[ . 1 .]" 1
826 1 93 GLY QA 1 96 LEU MD1 5.000 . 5.500 2.664 2.256 3.720 . 0 0 "[ . 1 .]" 1
827 1 93 GLY QA 1 122 ILE MD 6.000 . 6.500 2.552 2.402 2.764 . 0 0 "[ . 1 .]" 1
828 1 93 GLY QA 2 90 LEU MD2 5.000 . 5.500 2.824 2.030 4.576 . 0 0 "[ . 1 .]" 1
829 1 94 TYR H 1 95 GLU H 2.700 . 2.700 2.712 2.548 2.765 0.065 11 0 "[ . 1 .]" 1
830 1 94 TYR H 1 122 ILE MD 5.000 . 5.500 5.487 5.246 5.600 0.100 7 0 "[ . 1 .]" 1
831 1 94 TYR H 2 122 ILE MD 5.000 . 5.500 4.217 3.900 4.765 . 0 0 "[ . 1 .]" 1
832 1 94 TYR HA 1 97 GLY H 3.500 . 3.500 3.380 2.967 3.579 0.079 8 0 "[ . 1 .]" 1
833 1 94 TYR HA 2 122 ILE MD 6.000 . 6.500 3.821 3.420 4.263 . 0 0 "[ . 1 .]" 1
834 1 94 TYR QD 2 100 VAL MG2 5.000 . 5.500 4.464 4.025 4.966 . 0 0 "[ . 1 .]" 1
835 1 94 TYR QD 2 121 MET ME 2.700 . 3.200 3.211 3.018 3.299 0.099 2 0 "[ . 1 .]" 1
836 1 94 TYR QD 2 122 ILE MD 5.000 . 5.500 2.286 2.078 2.988 . 0 0 "[ . 1 .]" 1
837 1 94 TYR QE 2 100 VAL MG1 5.000 . 5.500 3.210 2.457 3.782 . 0 0 "[ . 1 .]" 1
838 1 94 TYR QE 2 100 VAL MG2 3.500 . 4.000 2.523 2.192 3.152 . 0 0 "[ . 1 .]" 1
839 1 94 TYR QE 2 121 MET ME 2.700 . 3.200 3.174 2.824 3.290 0.090 11 0 "[ . 1 .]" 1
840 1 94 TYR QE 2 125 ALA MB 3.500 . 4.000 3.096 2.543 3.512 . 0 0 "[ . 1 .]" 1
841 1 95 GLU H 2 122 ILE MD 5.000 . 5.500 5.248 4.911 5.574 0.074 10 0 "[ . 1 .]" 1
842 1 95 GLU HA 1 98 ARG H 5.000 . 5.000 3.451 3.107 3.782 . 0 0 "[ . 1 .]" 1
843 1 95 GLU HA 2 121 MET ME 5.000 . 5.500 4.388 3.734 4.851 . 0 0 "[ . 1 .]" 1
844 1 96 LEU H 1 97 GLY H 2.700 . 2.700 2.575 2.460 2.704 0.004 11 0 "[ . 1 .]" 1
845 1 96 LEU HA 1 96 LEU MD2 3.500 . 4.000 2.099 1.996 2.164 . 0 0 "[ . 1 .]" 1
846 1 96 LEU HA 1 99 ALA MB 5.000 . 5.500 2.864 2.400 3.589 . 0 0 "[ . 1 .]" 1
847 1 96 LEU MD1 1 106 ILE MD 6.000 . 7.000 5.476 3.494 6.460 . 0 0 "[ . 1 .]" 1
848 1 96 LEU MD1 1 106 ILE MG 6.000 . 7.000 4.008 3.508 4.266 . 0 0 "[ . 1 .]" 1
849 1 96 LEU MD1 1 108 CYS HG 5.000 . 5.500 3.209 2.620 3.849 . 0 0 "[ . 1 .]" 1
850 1 96 LEU MD1 1 122 ILE MD 3.500 . 4.500 2.318 1.937 2.801 . 0 0 "[ . 1 .]" 1
851 1 96 LEU MD1 1 122 ILE QG 5.000 . 5.500 3.234 2.687 3.815 . 0 0 "[ . 1 .]" 1
852 1 96 LEU MD1 1 122 ILE MG 5.000 . 6.000 2.420 1.979 2.899 . 0 0 "[ . 1 .]" 1
853 1 96 LEU MD1 1 131 PHE QD 5.000 . 5.500 5.294 3.602 5.529 0.029 8 0 "[ . 1 .]" 1
854 1 96 LEU MD1 1 131 PHE QE 5.000 . 5.500 3.467 2.059 3.776 . 0 0 "[ . 1 .]" 1
855 1 96 LEU MD1 1 131 PHE HZ 3.500 . 4.000 3.429 2.721 3.980 . 0 0 "[ . 1 .]" 1
856 1 96 LEU MD1 2 90 LEU MD2 5.000 . 6.000 3.805 2.829 5.382 . 0 0 "[ . 1 .]" 1
857 1 96 LEU MD2 1 99 ALA H 5.000 . 5.500 4.776 4.444 5.081 . 0 0 "[ . 1 .]" 1
858 1 96 LEU MD2 1 100 VAL MG2 6.000 . 7.000 4.477 3.931 4.720 . 0 0 "[ . 1 .]" 1
859 1 96 LEU MD2 1 106 ILE MD 3.500 . 4.500 3.676 2.923 4.606 0.106 15 0 "[ . 1 .]" 1
860 1 96 LEU MD2 1 106 ILE MG 3.500 . 4.500 2.074 1.773 2.252 0.027 15 0 "[ . 1 .]" 1
861 1 96 LEU MD2 1 108 CYS HG 3.500 . 4.000 2.109 1.798 2.784 0.002 7 0 "[ . 1 .]" 1
862 1 96 LEU MD2 1 131 PHE QD 3.500 . 4.000 3.854 3.402 4.030 0.030 11 0 "[ . 1 .]" 1
863 1 96 LEU MD2 1 131 PHE QE 5.000 . 5.500 2.432 2.154 2.914 . 0 0 "[ . 1 .]" 1
864 1 96 LEU MD2 1 131 PHE HZ 5.000 . 5.500 3.709 2.675 4.395 . 0 0 "[ . 1 .]" 1
865 1 97 GLY H 1 98 ARG H 2.700 . 2.700 2.643 2.562 2.744 0.044 7 0 "[ . 1 .]" 1
866 1 97 GLY QA 1 100 VAL H 5.000 . 5.000 3.264 3.107 3.381 . 0 0 "[ . 1 .]" 1
867 1 97 GLY QA 1 100 VAL HB 6.000 . 6.000 2.287 2.082 2.395 . 0 0 "[ . 1 .]" 1
868 1 97 GLY QA 2 100 VAL MG1 5.000 . 5.500 5.420 5.199 5.538 0.038 12 0 "[ . 1 .]" 1
869 1 98 ARG H 1 99 ALA H 2.700 . 2.700 2.713 2.633 2.756 0.056 6 0 "[ . 1 .]" 1
870 1 98 ARG HA 1 101 ALA H 3.500 . 3.500 3.500 3.403 3.567 0.067 6 0 "[ . 1 .]" 1
871 1 98 ARG HA 1 101 ALA MB 5.000 . 5.500 2.824 2.441 3.380 . 0 0 "[ . 1 .]" 1
872 1 98 ARG HA 2 100 VAL MG1 5.000 . 5.500 3.583 3.260 4.159 . 0 0 "[ . 1 .]" 1
873 1 99 ALA H 1 100 VAL H 2.700 . 2.700 2.566 2.487 2.611 . 0 0 "[ . 1 .]" 1
874 1 99 ALA H 1 106 ILE MD 5.000 . 5.500 4.290 3.822 5.499 . 0 0 "[ . 1 .]" 1
875 1 99 ALA HA 1 102 LEU H 3.500 . 3.500 3.184 2.827 3.557 0.057 1 0 "[ . 1 .]" 1
876 1 99 ALA HA 1 102 LEU QB 5.000 . 5.000 3.509 2.200 4.977 . 0 0 "[ . 1 .]" 1
877 1 99 ALA HA 1 102 LEU MD1 5.000 . 5.500 3.079 2.302 3.918 . 0 0 "[ . 1 .]" 1
878 1 99 ALA HA 1 102 LEU MD2 6.000 . 6.500 4.597 4.050 5.333 . 0 0 "[ . 1 .]" 1
879 1 99 ALA HA 1 103 GLY H 3.500 . 3.500 2.662 1.673 3.855 0.355 14 0 "[ . 1 .]" 1
880 1 99 ALA HA 1 104 LYS H 5.000 . 5.000 4.382 3.024 5.203 0.203 11 0 "[ . 1 .]" 1
881 1 99 ALA MB 1 100 VAL MG2 5.000 . 6.000 4.215 4.050 4.386 . 0 0 "[ . 1 .]" 1
882 1 99 ALA MB 1 102 LEU MD1 3.500 . 4.500 4.044 3.488 4.595 0.095 6 0 "[ . 1 .]" 1
883 1 99 ALA MB 1 102 LEU MD2 5.000 . 6.000 5.452 4.789 6.088 0.088 11 0 "[ . 1 .]" 1
884 1 99 ALA MB 1 103 GLY H 5.000 . 5.500 3.873 3.221 4.561 . 0 0 "[ . 1 .]" 1
885 1 99 ALA MB 1 103 GLY QA 5.000 . 5.500 3.260 1.960 4.875 . 0 0 "[ . 1 .]" 1
886 1 99 ALA MB 1 104 LYS H 3.500 . 4.000 3.980 3.269 4.417 0.417 10 0 "[ . 1 .]" 1
887 1 99 ALA MB 1 106 ILE MD 5.000 . 6.000 2.188 1.934 3.178 . 0 0 "[ . 1 .]" 1
888 1 99 ALA MB 1 108 CYS HG 5.000 . 5.500 5.573 5.465 5.701 0.201 11 0 "[ . 1 .]" 1
889 1 100 VAL H 1 100 VAL MG2 2.700 . 3.200 3.248 3.136 3.332 0.132 7 0 "[ . 1 .]" 1
890 1 100 VAL H 1 101 ALA H 2.700 . 2.700 2.677 2.597 2.761 0.061 6 0 "[ . 1 .]" 1
891 1 100 VAL H 1 106 ILE MD 3.500 . 4.000 2.926 2.557 4.036 0.036 15 0 "[ . 1 .]" 1
892 1 100 VAL HA 1 100 VAL MG1 3.500 . 4.000 2.995 2.915 3.061 . 0 0 "[ . 1 .]" 1
893 1 100 VAL HA 1 100 VAL MG2 3.500 . 4.000 2.130 2.067 2.152 . 0 0 "[ . 1 .]" 1
894 1 100 VAL HA 1 101 ALA H 5.000 . 5.000 3.506 3.478 3.534 . 0 0 "[ . 1 .]" 1
895 1 100 VAL HA 1 106 ILE MD 3.500 . 4.000 2.151 1.964 2.564 . 0 0 "[ . 1 .]" 1
896 1 100 VAL MG1 1 106 ILE MD 5.000 . 6.000 4.152 3.959 4.584 . 0 0 "[ . 1 .]" 1
897 1 100 VAL MG1 1 125 ALA MB 5.000 . 6.000 4.236 3.811 4.683 . 0 0 "[ . 1 .]" 1
898 1 100 VAL MG1 1 131 PHE QE 5.000 . 5.500 5.518 5.238 5.640 0.140 14 0 "[ . 1 .]" 1
899 1 100 VAL MG1 2 94 TYR QE 5.000 . 5.500 3.207 2.438 3.800 . 0 0 "[ . 1 .]" 1
900 1 100 VAL MG1 2 97 GLY QA 5.000 . 5.500 5.421 5.186 5.555 0.055 12 0 "[ . 1 .]" 1
901 1 100 VAL MG1 2 98 ARG HA 5.000 . 5.500 3.584 3.260 4.160 . 0 0 "[ . 1 .]" 1
902 1 100 VAL MG1 2 101 ALA HA 6.000 2.800 6.500 6.704 6.631 6.801 0.301 5 0 "[ . 1 .]" 1
903 1 100 VAL MG1 2 101 ALA MB 3.500 . 4.500 3.911 3.828 3.996 . 0 0 "[ . 1 .]" 1
904 1 100 VAL MG2 1 106 ILE MD 2.700 . 3.700 2.660 2.173 3.251 . 0 0 "[ . 1 .]" 1
905 1 100 VAL MG2 1 106 ILE MG 5.000 . 6.000 3.886 3.467 4.567 . 0 0 "[ . 1 .]" 1
906 1 100 VAL MG2 1 108 CYS HG 5.000 . 5.500 5.552 5.357 5.611 0.111 2 0 "[ . 1 .]" 1
907 1 100 VAL MG2 1 122 ILE MD 5.000 . 6.000 4.637 4.274 4.965 . 0 0 "[ . 1 .]" 1
908 1 100 VAL MG2 1 125 ALA MB 3.500 . 4.500 2.624 2.348 3.077 . 0 0 "[ . 1 .]" 1
909 1 100 VAL MG2 1 126 ALA HA 6.000 . 6.500 6.167 5.477 6.727 0.227 10 0 "[ . 1 .]" 1
910 1 100 VAL MG2 1 131 PHE QB 3.500 . 4.000 3.308 2.998 3.700 . 0 0 "[ . 1 .]" 1
911 1 100 VAL MG2 1 131 PHE QE 2.700 . 3.200 3.173 2.887 3.294 0.094 5 0 "[ . 1 .]" 1
912 1 100 VAL MG2 1 131 PHE HZ 5.000 . 5.500 4.587 3.928 4.928 . 0 0 "[ . 1 .]" 1
913 1 100 VAL MG2 2 94 TYR QD 5.000 . 5.500 4.461 4.023 4.981 . 0 0 "[ . 1 .]" 1
914 1 100 VAL MG2 2 94 TYR QE 3.500 . 4.000 2.519 2.198 3.166 . 0 0 "[ . 1 .]" 1
915 1 101 ALA H 1 102 LEU H 2.700 . 2.700 2.699 2.601 2.770 0.070 5 0 "[ . 1 .]" 1
916 1 101 ALA H 2 101 ALA MB 5.000 . 5.500 3.985 3.856 4.109 . 0 0 "[ . 1 .]" 1
917 1 101 ALA HA 1 102 LEU H 3.500 . 3.500 3.574 3.555 3.584 0.084 8 0 "[ . 1 .]" 1
918 1 101 ALA HA 2 100 VAL MG1 6.000 2.800 6.500 6.702 6.639 6.808 0.308 5 0 "[ . 1 .]" 1
919 1 101 ALA HA 2 101 ALA MB 5.000 . 5.500 3.596 3.360 3.828 . 0 0 "[ . 1 .]" 1
920 1 101 ALA MB 2 72 LEU MD1 5.000 . 6.000 6.169 6.124 6.228 0.228 8 0 "[ . 1 .]" 1
921 1 101 ALA MB 2 100 VAL MG1 3.500 . 4.500 3.909 3.814 3.994 . 0 0 "[ . 1 .]" 1
922 1 101 ALA MB 2 101 ALA H 5.000 . 5.500 3.984 3.856 4.101 . 0 0 "[ . 1 .]" 1
923 1 101 ALA MB 2 101 ALA HA 5.000 . 5.500 3.596 3.372 3.831 . 0 0 "[ . 1 .]" 1
924 1 101 ALA MB 2 101 ALA MB 3.500 . 4.500 1.719 1.685 1.784 0.115 5 0 "[ . 1 .]" 1
925 1 101 ALA MB 2 102 LEU MD2 5.000 . 6.000 4.425 3.486 5.470 . 0 0 "[ . 1 .]" 1
926 1 102 LEU H 1 103 GLY H 2.700 . 2.700 2.275 1.896 2.738 0.038 3 0 "[ . 1 .]" 1
927 1 102 LEU HA 1 102 LEU MD2 3.500 . 4.000 2.952 2.051 4.064 0.064 7 0 "[ . 1 .]" 1
928 1 102 LEU HA 1 104 LYS H 6.000 . 6.000 5.426 3.247 6.427 0.427 2 0 "[ . 1 .]" 1
929 1 102 LEU MD1 1 104 LYS QD 5.000 . 5.500 4.162 2.719 5.534 0.034 1 0 "[ . 1 .]" 1
930 1 102 LEU MD1 1 104 LYS QE 3.500 . 4.000 3.608 2.612 4.095 0.095 13 0 "[ . 1 .]" 1
931 1 102 LEU MD2 1 104 LYS QD 5.000 . 5.500 5.077 3.672 5.771 0.271 4 0 "[ . 1 .]" 1
932 1 102 LEU MD2 1 104 LYS QE 5.000 . 5.500 4.390 2.386 5.631 0.131 10 0 "[ . 1 .]" 1
933 1 102 LEU MD2 2 101 ALA MB 5.000 . 6.000 4.423 3.495 5.473 . 0 0 "[ . 1 .]" 1
934 1 103 GLY H 1 104 LYS H 5.000 . 5.000 3.871 2.652 4.641 . 0 0 "[ . 1 .]" 1
935 1 103 GLY QA 1 104 LYS H 3.500 . 3.500 2.427 2.139 2.918 . 0 0 "[ . 1 .]" 1
936 1 104 LYS H 1 106 ILE MD 5.000 . 5.500 3.999 3.008 4.849 . 0 0 "[ . 1 .]" 1
937 1 105 PRO HA 1 106 ILE H 2.700 . 2.700 2.260 2.217 2.322 . 0 0 "[ . 1 .]" 1
938 1 105 PRO HA 1 130 ARG HA 5.000 . 5.000 3.401 2.690 4.414 . 0 0 "[ . 1 .]" 1
939 1 105 PRO HA 1 130 ARG QB 5.000 . 5.000 3.395 2.158 4.893 . 0 0 "[ . 1 .]" 1
940 1 105 PRO HA 1 130 ARG QD 5.000 . 5.000 3.581 2.648 4.221 . 0 0 "[ . 1 .]" 1
941 1 105 PRO HA 1 130 ARG QG 3.500 . 3.500 2.994 2.091 3.528 0.028 15 0 "[ . 1 .]" 1
942 1 105 PRO QB 1 130 ARG QD 5.000 . 5.000 4.554 3.870 5.053 0.053 8 0 "[ . 1 .]" 1
943 1 105 PRO QG 1 130 ARG QD 5.000 . 5.000 4.544 3.329 5.189 0.189 4 0 "[ . 1 .]" 1
944 1 106 ILE H 1 130 ARG HA 5.000 . 5.000 3.836 2.950 4.501 . 0 0 "[ . 1 .]" 1
945 1 106 ILE H 1 130 ARG QG 5.000 . 5.000 3.917 2.496 5.040 0.040 10 0 "[ . 1 .]" 1
946 1 106 ILE H 1 131 PHE HA 3.500 . 3.500 3.069 2.417 3.387 . 0 0 "[ . 1 .]" 1
947 1 106 ILE H 1 131 PHE QD 5.000 . 5.000 4.733 3.942 5.032 0.032 12 0 "[ . 1 .]" 1
948 1 106 ILE H 1 132 GLN H 6.000 . 6.000 4.487 4.028 4.876 . 0 0 "[ . 1 .]" 1
949 1 106 ILE HA 1 107 LEU H 2.700 . 2.700 2.200 2.129 2.308 . 0 0 "[ . 1 .]" 1
950 1 106 ILE HB 1 132 GLN H 5.000 . 5.000 3.665 3.282 3.927 . 0 0 "[ . 1 .]" 1
951 1 106 ILE MD 1 131 PHE QD 3.500 . 4.000 2.089 2.004 2.340 . 0 0 "[ . 1 .]" 1
952 1 106 ILE MD 1 131 PHE QE 3.500 . 4.000 3.488 2.451 4.015 0.015 15 0 "[ . 1 .]" 1
953 1 106 ILE MD 1 131 PHE HZ 5.000 . 5.500 5.435 4.586 5.624 0.124 1 0 "[ . 1 .]" 1
954 1 106 ILE MG 1 108 CYS HG 3.500 . 4.000 2.617 2.071 3.626 . 0 0 "[ . 1 .]" 1
955 1 106 ILE MG 1 131 PHE HA 5.000 . 5.500 3.749 3.143 4.775 . 0 0 "[ . 1 .]" 1
956 1 106 ILE MG 1 131 PHE QB 5.000 . 5.500 4.137 3.490 5.300 . 0 0 "[ . 1 .]" 1
957 1 106 ILE MG 1 131 PHE QD 3.500 . 4.000 2.610 2.244 3.530 . 0 0 "[ . 1 .]" 1
958 1 106 ILE MG 1 131 PHE QE 3.500 . 4.000 2.784 2.283 3.321 . 0 0 "[ . 1 .]" 1
959 1 106 ILE MG 1 131 PHE HZ 5.000 . 5.500 4.498 3.629 5.295 . 0 0 "[ . 1 .]" 1
960 1 106 ILE MG 1 132 GLN H 5.000 . 5.500 4.148 3.247 5.156 . 0 0 "[ . 1 .]" 1
961 1 106 ILE MG 1 133 VAL MG2 5.000 . 6.000 5.440 4.723 5.986 . 0 0 "[ . 1 .]" 1
962 1 107 LEU HA 1 107 LEU MD1 3.500 . 4.000 2.146 2.062 2.219 . 0 0 "[ . 1 .]" 1
963 1 107 LEU HA 1 108 CYS H 2.700 . 2.700 2.238 2.214 2.276 . 0 0 "[ . 1 .]" 1
964 1 107 LEU HA 1 132 GLN H 3.500 . 3.500 3.002 2.669 3.307 . 0 0 "[ . 1 .]" 1
965 1 107 LEU HA 1 134 TRP HE1 5.000 . 5.000 4.998 4.825 5.087 0.087 10 0 "[ . 1 .]" 1
966 1 107 LEU MD1 1 108 CYS H 3.500 . 4.000 2.685 2.251 3.073 . 0 0 "[ . 1 .]" 1
967 1 107 LEU MD1 1 109 LEU MD2 3.500 . 4.500 3.562 2.903 4.103 . 0 0 "[ . 1 .]" 1
968 1 107 LEU MD1 1 132 GLN H 5.000 . 5.500 3.867 3.433 4.256 . 0 0 "[ . 1 .]" 1
969 1 107 LEU MD1 1 132 GLN QB 5.000 . 5.500 2.559 2.177 2.817 . 0 0 "[ . 1 .]" 1
970 1 107 LEU MD1 1 132 GLN QG 5.000 . 5.500 3.990 3.494 4.397 . 0 0 "[ . 1 .]" 1
971 1 107 LEU MD1 1 134 TRP H 5.000 . 5.500 3.365 3.000 3.959 . 0 0 "[ . 1 .]" 1
972 1 107 LEU MD1 1 134 TRP QB 5.000 . 5.500 2.894 2.575 3.159 . 0 0 "[ . 1 .]" 1
973 1 107 LEU MD1 1 134 TRP HD1 3.500 . 4.000 2.949 2.816 3.135 . 0 0 "[ . 1 .]" 1
974 1 107 LEU MD1 1 134 TRP HE1 3.500 . 4.000 2.974 2.833 3.167 . 0 0 "[ . 1 .]" 1
975 1 107 LEU MD1 1 134 TRP HE3 3.500 . 4.000 3.583 3.420 3.776 . 0 0 "[ . 1 .]" 1
976 1 107 LEU MD1 1 134 TRP HH2 5.000 . 5.500 4.388 4.226 4.679 . 0 0 "[ . 1 .]" 1
977 1 107 LEU MD1 1 134 TRP HZ2 5.000 . 5.500 3.583 3.411 3.895 . 0 0 "[ . 1 .]" 1
978 1 107 LEU MD1 1 134 TRP HZ3 6.000 . 6.500 4.393 4.215 4.535 . 0 0 "[ . 1 .]" 1
979 1 107 LEU MD1 1 144 MET ME 5.000 . 6.000 6.041 5.911 6.103 0.103 12 0 "[ . 1 .]" 1
980 1 107 LEU MD1 1 145 LEU MD2 5.000 . 6.000 4.508 4.116 4.769 . 0 0 "[ . 1 .]" 1
981 1 107 LEU MD1 1 148 TYR QD 5.000 . 5.500 2.619 2.480 2.756 . 0 0 "[ . 1 .]" 1
982 1 107 LEU MD1 1 148 TYR QE 2.700 . 3.200 3.196 3.059 3.236 0.036 12 0 "[ . 1 .]" 1
983 1 107 LEU MD2 1 109 LEU MD1 5.000 . 6.000 2.985 2.158 3.721 . 0 0 "[ . 1 .]" 1
984 1 107 LEU MD2 1 109 LEU MD2 3.500 . 4.500 2.920 2.250 4.010 . 0 0 "[ . 1 .]" 1
985 1 107 LEU MD2 1 134 TRP H 6.000 . 6.500 5.202 4.794 5.586 . 0 0 "[ . 1 .]" 1
986 1 107 LEU MD2 1 134 TRP HE1 5.000 . 5.500 5.133 4.878 5.452 . 0 0 "[ . 1 .]" 1
987 1 107 LEU MD2 1 134 TRP HH2 5.000 . 5.500 4.773 4.535 5.191 . 0 0 "[ . 1 .]" 1
988 1 107 LEU MD2 1 134 TRP HZ3 5.000 . 5.500 4.302 4.053 4.642 . 0 0 "[ . 1 .]" 1
989 1 107 LEU MD2 1 144 MET ME 6.000 . 7.000 5.769 5.337 6.144 . 0 0 "[ . 1 .]" 1
990 1 107 LEU MD2 1 145 LEU HA 6.000 . 6.500 3.232 2.996 3.617 . 0 0 "[ . 1 .]" 1
991 1 107 LEU MD2 1 145 LEU MD2 3.500 . 4.500 2.344 1.987 2.711 . 0 0 "[ . 1 .]" 1
992 1 107 LEU MD2 1 148 TYR H 5.000 . 5.500 4.344 4.023 4.647 . 0 0 "[ . 1 .]" 1
993 1 107 LEU MD2 1 148 TYR QB 5.000 . 5.500 2.462 2.247 2.719 . 0 0 "[ . 1 .]" 1
994 1 107 LEU MD2 1 148 TYR QD 3.500 . 4.000 2.988 2.618 3.151 . 0 0 "[ . 1 .]" 1
995 1 107 LEU MD2 1 148 TYR QE 3.500 . 4.000 3.934 3.605 4.035 0.035 11 0 "[ . 1 .]" 1
996 1 107 LEU HG 1 108 CYS H 3.500 . 3.500 3.270 3.045 3.457 . 0 0 "[ . 1 .]" 1
997 1 108 CYS H 1 108 CYS HG 3.500 . 3.500 3.443 3.002 3.536 0.036 13 0 "[ . 1 .]" 1
998 1 108 CYS H 1 131 PHE QE 6.000 . 6.000 5.095 4.493 5.447 . 0 0 "[ . 1 .]" 1
999 1 108 CYS H 1 131 PHE HZ 6.000 . 6.000 5.687 5.075 6.034 0.034 5 0 "[ . 1 .]" 1
1000 1 108 CYS H 1 133 VAL HA 3.500 . 3.500 3.149 2.868 3.467 . 0 0 "[ . 1 .]" 1
1001 1 108 CYS H 1 134 TRP H 5.000 . 5.000 3.453 3.086 3.658 . 0 0 "[ . 1 .]" 1
1002 1 108 CYS HA 1 109 LEU H 2.700 . 2.700 2.304 2.211 2.402 . 0 0 "[ . 1 .]" 1
1003 1 108 CYS HG 1 131 PHE QD 5.000 . 5.000 3.983 3.731 4.354 . 0 0 "[ . 1 .]" 1
1004 1 108 CYS HG 1 131 PHE QE 3.500 . 3.500 2.781 2.382 3.140 . 0 0 "[ . 1 .]" 1
1005 1 108 CYS HG 1 131 PHE HZ 5.000 . 5.000 3.127 2.373 3.947 . 0 0 "[ . 1 .]" 1
1006 1 108 CYS HG 1 133 VAL MG1 5.000 . 5.500 5.395 4.860 5.573 0.073 6 0 "[ . 1 .]" 1
1007 1 108 CYS HG 1 133 VAL MG2 5.000 . 5.500 4.071 3.609 4.544 . 0 0 "[ . 1 .]" 1
1008 1 109 LEU HA 1 109 LEU MD2 3.500 . 4.000 2.552 2.187 3.606 . 0 0 "[ . 1 .]" 1
1009 1 109 LEU HA 1 110 PHE H 2.700 . 2.700 2.221 2.182 2.284 . 0 0 "[ . 1 .]" 1
1010 1 109 LEU HA 1 134 TRP H 6.000 . 6.000 3.022 2.621 3.451 . 0 0 "[ . 1 .]" 1
1011 1 109 LEU HA 1 136 TYR QD 5.000 . 5.000 3.532 3.252 3.932 . 0 0 "[ . 1 .]" 1
1012 1 109 LEU HA 1 136 TYR QE 5.000 . 5.000 4.289 3.985 4.758 . 0 0 "[ . 1 .]" 1
1013 1 109 LEU MD1 1 136 TYR QD 5.000 . 5.500 4.158 3.833 4.591 . 0 0 "[ . 1 .]" 1
1014 1 109 LEU MD1 1 136 TYR QE 5.000 . 5.500 4.073 3.676 4.604 . 0 0 "[ . 1 .]" 1
1015 1 109 LEU MD1 1 141 VAL HA 6.000 . 6.500 4.623 3.839 5.225 . 0 0 "[ . 1 .]" 1
1016 1 109 LEU MD1 1 141 VAL MG2 3.500 . 4.500 2.892 2.278 3.499 . 0 0 "[ . 1 .]" 1
1017 1 109 LEU MD1 1 144 MET ME 5.000 . 6.000 5.361 4.759 5.917 . 0 0 "[ . 1 .]" 1
1018 1 109 LEU MD1 1 145 LEU H 5.000 . 5.500 4.964 3.850 5.569 0.069 13 0 "[ . 1 .]" 1
1019 1 109 LEU MD1 1 145 LEU MD1 5.000 . 6.000 4.096 3.463 4.917 . 0 0 "[ . 1 .]" 1
1020 1 109 LEU MD1 1 145 LEU MD2 3.500 . 4.500 2.986 2.247 3.678 . 0 0 "[ . 1 .]" 1
1021 1 109 LEU MD2 1 134 TRP H 5.000 . 5.500 3.787 3.454 4.459 . 0 0 "[ . 1 .]" 1
1022 1 109 LEU MD2 1 134 TRP QB 5.000 . 5.500 2.198 1.980 2.486 . 0 0 "[ . 1 .]" 1
1023 1 109 LEU MD2 1 134 TRP HD1 5.000 . 5.500 5.055 4.761 5.435 . 0 0 "[ . 1 .]" 1
1024 1 109 LEU MD2 1 134 TRP HE3 3.500 . 4.000 3.626 3.139 4.049 0.049 9 0 "[ . 1 .]" 1
1025 1 109 LEU MD2 1 135 ASP H 5.000 . 5.500 4.560 3.987 5.071 . 0 0 "[ . 1 .]" 1
1026 1 109 LEU MD2 1 136 TYR HA 5.000 . 5.500 4.724 4.227 5.029 . 0 0 "[ . 1 .]" 1
1027 1 109 LEU MD2 1 136 TYR QD 3.500 . 4.000 2.950 2.121 3.328 . 0 0 "[ . 1 .]" 1
1028 1 109 LEU MD2 1 136 TYR QE 3.500 . 4.000 3.975 3.461 4.086 0.086 1 0 "[ . 1 .]" 1
1029 1 109 LEU MD2 1 144 MET QB 5.000 . 5.500 2.202 1.919 2.486 . 0 0 "[ . 1 .]" 1
1030 1 109 LEU MD2 1 144 MET ME 2.700 . 3.700 3.582 3.013 3.825 0.125 8 0 "[ . 1 .]" 1
1031 1 109 LEU MD2 1 145 LEU MD2 5.000 . 6.000 3.645 2.946 4.497 . 0 0 "[ . 1 .]" 1
1032 1 110 PHE H 1 118 LEU MD2 6.000 . 6.500 4.877 4.321 6.233 . 0 0 "[ . 1 .]" 1
1033 1 110 PHE H 1 134 TRP H 5.000 . 5.000 4.428 4.218 4.652 . 0 0 "[ . 1 .]" 1
1034 1 110 PHE H 1 135 ASP HA 5.000 . 5.000 2.572 2.113 2.875 . 0 0 "[ . 1 .]" 1
1035 1 110 PHE H 1 136 TYR QD 2.700 . 2.700 2.639 2.341 2.798 0.098 11 0 "[ . 1 .]" 1
1036 1 110 PHE H 1 136 TYR QE 3.500 . 3.500 3.514 3.371 3.558 0.058 14 0 "[ . 1 .]" 1
1037 1 110 PHE HA 1 111 ARG H 2.700 . 2.700 2.272 2.167 2.397 . 0 0 "[ . 1 .]" 1
1038 1 110 PHE HA 1 136 TYR QD 5.000 . 5.000 4.034 3.852 4.276 . 0 0 "[ . 1 .]" 1
1039 1 110 PHE HA 1 136 TYR QE 5.000 . 5.000 2.940 2.556 3.361 . 0 0 "[ . 1 .]" 1
1040 1 110 PHE QD 1 111 ARG H 3.500 . 3.500 3.062 1.938 3.728 0.228 4 0 "[ . 1 .]" 1
1041 1 110 PHE QD 1 115 GLY QA 5.000 . 5.000 4.324 2.388 5.074 0.074 8 0 "[ . 1 .]" 1
1042 1 110 PHE QD 1 116 ARG H 3.500 . 3.500 3.689 3.202 3.915 0.415 2 0 "[ . 1 .]" 1
1043 1 110 PHE QD 1 116 ARG QD 5.000 . 5.000 4.656 3.346 5.128 0.128 7 0 "[ . 1 .]" 1
1044 1 110 PHE QD 1 116 ARG QG 5.000 . 5.000 4.502 3.099 5.181 0.181 7 0 "[ . 1 .]" 1
1045 1 110 PHE QD 1 117 VAL H 5.000 . 5.000 4.160 3.361 5.080 0.080 11 0 "[ . 1 .]" 1
1046 1 110 PHE QD 1 117 VAL HA 5.000 . 5.000 4.500 4.259 4.719 . 0 0 "[ . 1 .]" 1
1047 1 110 PHE QD 1 117 VAL MG1 5.000 . 5.500 5.606 5.505 5.699 0.199 4 0 "[ . 1 .]" 1
1048 1 110 PHE QD 1 117 VAL MG2 5.000 . 5.500 5.590 5.354 5.723 0.223 14 0 "[ . 1 .]" 1
1049 1 110 PHE QD 1 118 LEU H 3.500 . 3.500 3.493 3.267 3.702 0.202 4 0 "[ . 1 .]" 1
1050 1 110 PHE QD 1 118 LEU QB 5.000 . 5.000 3.401 2.671 4.837 . 0 0 "[ . 1 .]" 1
1051 1 110 PHE QD 1 118 LEU MD1 5.000 . 5.500 3.552 2.974 4.406 . 0 0 "[ . 1 .]" 1
1052 1 110 PHE QD 1 118 LEU MD2 3.500 . 4.000 3.528 2.278 4.070 0.070 15 0 "[ . 1 .]" 1
1053 1 110 PHE QD 1 135 ASP HA 5.000 . 5.000 3.133 2.125 4.660 . 0 0 "[ . 1 .]" 1
1054 1 110 PHE QD 1 136 TYR H 5.000 . 5.000 4.422 3.447 5.207 0.207 9 0 "[ . 1 .]" 1
1055 1 110 PHE QE 1 115 GLY QA 5.000 . 5.000 2.749 2.286 3.736 . 0 0 "[ . 1 .]" 1
1056 1 110 PHE QE 1 116 ARG H 5.000 . 5.000 2.288 1.683 3.468 0.117 2 0 "[ . 1 .]" 1
1057 1 110 PHE QE 1 116 ARG QD 5.000 . 5.000 4.684 3.016 5.067 0.067 11 0 "[ . 1 .]" 1
1058 1 110 PHE QE 1 116 ARG QG 5.000 . 5.000 3.838 2.699 4.547 . 0 0 "[ . 1 .]" 1
1059 1 110 PHE QE 1 117 VAL H 5.000 . 5.000 2.489 1.739 4.647 0.061 10 0 "[ . 1 .]" 1
1060 1 110 PHE QE 1 117 VAL HA 5.000 . 5.000 3.288 2.413 3.726 . 0 0 "[ . 1 .]" 1
1061 1 110 PHE QE 1 117 VAL MG1 5.000 . 5.500 4.936 4.337 5.403 . 0 0 "[ . 1 .]" 1
1062 1 110 PHE QE 1 117 VAL MG2 5.000 . 5.500 4.143 3.670 4.599 . 0 0 "[ . 1 .]" 1
1063 1 110 PHE QE 1 118 LEU H 3.500 . 3.500 3.449 2.927 3.696 0.196 11 0 "[ . 1 .]" 1
1064 1 110 PHE QE 1 118 LEU QB 5.000 . 5.000 4.410 3.726 5.153 0.153 10 0 "[ . 1 .]" 1
1065 1 110 PHE QE 1 118 LEU MD2 5.000 . 5.500 4.690 2.816 5.516 0.016 14 0 "[ . 1 .]" 1
1066 1 111 ARG H 1 136 TYR QE 5.000 . 5.000 3.411 2.845 3.941 . 0 0 "[ . 1 .]" 1
1067 1 111 ARG HA 1 112 PRO QD 3.500 . 3.500 2.013 1.988 2.078 . 0 0 "[ . 1 .]" 1
1068 1 111 ARG HA 1 136 TYR H 3.500 . 3.500 2.471 2.062 2.863 . 0 0 "[ . 1 .]" 1
1069 1 111 ARG QD 1 137 ALA H 5.000 . 5.000 4.752 4.123 5.005 0.005 11 0 "[ . 1 .]" 1
1070 1 111 ARG QD 1 137 ALA MB 5.000 . 5.500 3.653 3.440 4.076 . 0 0 "[ . 1 .]" 1
1071 1 111 ARG QD 1 138 GLU QG 3.500 . 3.500 2.863 2.321 3.512 0.012 14 0 "[ . 1 .]" 1
1072 1 113 GLN QB 1 137 ALA MB 5.000 . 5.500 3.682 2.881 5.258 . 0 0 "[ . 1 .]" 1
1073 1 113 GLN QG 1 116 ARG QD 5.000 . 5.000 5.106 5.019 5.246 0.246 4 0 "[ . 1 .]" 1
1074 1 113 GLN QG 1 137 ALA HA 5.000 . 5.000 4.415 3.505 5.037 0.037 14 0 "[ . 1 .]" 1
1075 1 113 GLN QG 1 137 ALA MB 3.500 . 4.000 3.974 3.800 4.054 0.054 14 0 "[ . 1 .]" 1
1076 1 114 SER HA 1 115 GLY H 3.500 . 3.500 3.434 3.304 3.552 0.052 14 0 "[ . 1 .]" 1
1077 1 114 SER HA 1 116 ARG QD 5.000 . 5.000 4.225 2.353 5.005 0.005 15 0 "[ . 1 .]" 1
1078 1 114 SER HA 1 116 ARG QG 5.000 . 5.000 4.011 3.369 5.003 0.003 8 0 "[ . 1 .]" 1
1079 1 115 GLY QA 1 116 ARG H 2.700 . 2.700 2.620 2.147 2.759 0.059 10 0 "[ . 1 .]" 1
1080 1 116 ARG H 1 117 VAL H 5.000 . 5.000 2.846 1.702 4.558 0.098 8 0 "[ . 1 .]" 1
1081 1 116 ARG HA 1 117 VAL H 3.500 . 3.500 3.148 2.229 3.553 0.053 4 0 "[ . 1 .]" 1
1082 1 117 VAL H 1 117 VAL MG2 2.700 . 3.200 2.650 2.344 3.055 . 0 0 "[ . 1 .]" 1
1083 1 117 VAL HA 1 118 LEU H 2.700 . 2.700 2.177 2.122 2.239 . 0 0 "[ . 1 .]" 1
1084 1 117 VAL MG1 1 118 LEU H 2.700 . 3.200 3.110 2.725 3.291 0.091 8 0 "[ . 1 .]" 1
1085 1 117 VAL MG1 1 120 ALA MB 3.500 . 4.500 4.501 4.233 4.725 0.225 2 0 "[ . 1 .]" 1
1086 1 117 VAL MG1 1 123 ARG HE 5.000 . 5.500 4.951 3.424 5.533 0.033 11 0 "[ . 1 .]" 1
1087 1 117 VAL MG1 2 21 ARG QD 3.500 . 4.000 3.097 2.075 4.018 0.018 4 0 "[ . 1 .]" 1
1088 1 117 VAL MG1 2 58 GLU QB 5.000 . 5.500 2.274 1.957 2.959 . 0 0 "[ . 1 .]" 1
1089 1 117 VAL MG1 2 58 GLU QG 3.500 . 4.000 2.798 2.119 4.036 0.036 14 0 "[ . 1 .]" 1
1090 1 117 VAL MG2 2 57 GLY QA 5.000 . 5.500 5.184 3.674 5.640 0.140 14 0 "[ . 1 .]" 1
1091 1 117 VAL MG2 2 59 GLU HA 5.000 . 5.500 4.724 2.738 5.548 0.048 15 0 "[ . 1 .]" 1
1092 1 117 VAL MG2 2 59 GLU QB 3.500 . 4.000 3.615 2.476 4.093 0.093 12 0 "[ . 1 .]" 1
1093 1 117 VAL MG2 2 59 GLU QG 5.000 . 5.500 4.262 2.232 5.513 0.013 9 0 "[ . 1 .]" 1
1094 1 118 LEU HA 1 119 SER H 3.500 . 3.500 2.571 2.213 3.583 0.083 14 0 "[ . 1 .]" 1
1095 1 118 LEU HA 2 90 LEU MD1 5.000 . 5.500 3.864 2.218 5.567 0.067 3 0 "[ . 1 .]" 1
1096 1 118 LEU QB 1 123 ARG HE 5.000 . 5.000 3.502 1.869 4.996 . 0 0 "[ . 1 .]" 1
1097 1 118 LEU MD1 1 119 SER H 3.500 . 4.000 2.837 1.764 4.093 0.093 2 0 "[ . 1 .]" 1
1098 1 118 LEU MD1 1 122 ILE H 5.000 . 5.500 5.142 4.155 5.592 0.092 11 0 "[ . 1 .]" 1
1099 1 118 LEU MD1 1 122 ILE MD 5.000 . 6.000 4.250 3.518 4.921 . 0 0 "[ . 1 .]" 1
1100 1 118 LEU MD1 1 122 ILE MG 3.500 . 4.500 2.402 1.953 3.228 . 0 0 "[ . 1 .]" 1
1101 1 118 LEU MD1 1 123 ARG QD 5.000 . 5.500 4.307 2.566 5.456 . 0 0 "[ . 1 .]" 1
1102 1 118 LEU MD1 2 90 LEU MD1 3.500 . 4.500 3.043 1.853 4.061 . 0 0 "[ . 1 .]" 1
1103 1 118 LEU MD1 2 90 LEU MD2 5.000 . 6.000 3.986 1.950 5.548 . 0 0 "[ . 1 .]" 1
1104 1 118 LEU MD2 1 122 ILE MG 5.000 . 6.000 2.680 1.858 4.786 . 0 0 "[ . 1 .]" 1
1105 1 118 LEU MD2 1 123 ARG QD 3.500 . 4.000 3.043 2.267 3.960 . 0 0 "[ . 1 .]" 1
1106 1 118 LEU MD2 1 123 ARG HE 5.000 . 5.500 3.739 1.790 5.219 0.010 8 0 "[ . 1 .]" 1
1107 1 118 LEU MD2 1 123 ARG QG 5.000 . 5.500 3.784 2.039 5.604 0.104 2 0 "[ . 1 .]" 1
1108 1 118 LEU MD2 1 133 VAL MG1 3.500 . 4.500 2.266 1.766 3.927 0.034 11 0 "[ . 1 .]" 1
1109 1 118 LEU MD2 1 133 VAL MG2 5.000 . 6.000 3.015 1.894 5.149 . 0 0 "[ . 1 .]" 1
1110 1 119 SER HA 1 120 ALA H 3.500 . 3.500 2.249 2.192 2.317 . 0 0 "[ . 1 .]" 1
1111 1 119 SER HA 2 90 LEU MD1 6.000 . 6.500 4.544 3.535 5.930 . 0 0 "[ . 1 .]" 1
1112 1 119 SER QB 1 122 ILE MG 5.000 . 5.500 3.935 3.440 4.511 . 0 0 "[ . 1 .]" 1
1113 1 119 SER QB 2 90 LEU MD1 5.000 . 5.500 2.935 2.078 3.716 . 0 0 "[ . 1 .]" 1
1114 1 120 ALA HA 1 123 ARG H 3.500 . 3.500 3.556 3.295 3.678 0.178 14 0 "[ . 1 .]" 1
1115 1 120 ALA HA 1 123 ARG QB 5.000 . 5.000 2.761 2.378 3.094 . 0 0 "[ . 1 .]" 1
1116 1 120 ALA HA 1 123 ARG QD 5.000 . 5.000 4.787 3.812 5.130 0.130 10 0 "[ . 1 .]" 1
1117 1 120 ALA HA 1 123 ARG QG 5.000 . 5.000 4.151 2.657 4.945 . 0 0 "[ . 1 .]" 1
1118 1 120 ALA HA 1 124 GLY H 5.000 . 5.000 3.748 3.232 4.302 . 0 0 "[ . 1 .]" 1
1119 1 120 ALA HA 2 64 ASP QB 5.000 . 5.000 2.945 2.329 3.422 . 0 0 "[ . 1 .]" 1
1120 1 120 ALA HA 2 67 ILE MD 5.000 . 5.500 5.396 4.810 5.616 0.116 3 0 "[ . 1 .]" 1
1121 1 120 ALA HA 2 67 ILE MG 5.000 . 5.500 4.407 3.923 5.115 . 0 0 "[ . 1 .]" 1
1122 1 120 ALA MB 1 123 ARG QB 5.000 . 5.500 4.083 3.670 4.504 . 0 0 "[ . 1 .]" 1
1123 1 120 ALA MB 2 20 ILE MD 3.500 . 4.500 4.636 4.541 4.773 0.273 1 0 "[ . 1 .]" 1
1124 1 120 ALA MB 2 64 ASP H 5.000 . 5.500 5.237 4.680 5.554 0.054 6 0 "[ . 1 .]" 1
1125 1 120 ALA MB 2 64 ASP HA 3.500 . 4.000 3.042 2.422 3.415 . 0 0 "[ . 1 .]" 1
1126 1 120 ALA MB 2 64 ASP QB 5.000 . 5.500 2.867 2.440 3.760 . 0 0 "[ . 1 .]" 1
1127 1 120 ALA MB 2 67 ILE H 6.000 . 6.500 4.898 4.190 5.595 . 0 0 "[ . 1 .]" 1
1128 1 120 ALA MB 2 67 ILE HB 5.000 . 5.500 3.444 2.731 4.322 . 0 0 "[ . 1 .]" 1
1129 1 120 ALA MB 2 67 ILE MD 2.700 . 3.700 3.076 2.592 3.302 . 0 0 "[ . 1 .]" 1
1130 1 120 ALA MB 2 67 ILE MG 2.700 . 3.700 2.205 1.869 2.836 . 0 0 "[ . 1 .]" 1
1131 1 120 ALA MB 2 72 LEU MD1 6.000 . 7.000 7.138 6.681 7.325 0.325 12 0 "[ . 1 .]" 1
1132 1 121 MET H 1 122 ILE H 2.700 . 2.700 2.683 2.509 2.765 0.065 15 0 "[ . 1 .]" 1
1133 1 121 MET HA 1 124 GLY H 3.500 . 3.500 3.534 3.412 3.625 0.125 2 0 "[ . 1 .]" 1
1134 1 121 MET HA 2 67 ILE MG 6.000 . 6.500 4.202 3.509 4.718 . 0 0 "[ . 1 .]" 1
1135 1 121 MET HA 2 68 HIS HD2 5.000 . 5.000 2.613 2.096 5.004 0.004 12 0 "[ . 1 .]" 1
1136 1 121 MET ME 2 20 ILE MD 5.000 . 6.000 6.051 5.624 6.247 0.247 5 0 "[ . 1 .]" 1
1137 1 121 MET ME 2 65 GLN HA 6.000 . 6.500 6.454 6.184 6.596 0.096 2 0 "[ . 1 .]" 1
1138 1 121 MET ME 2 67 ILE MD 5.000 . 6.000 6.028 5.878 6.107 0.107 4 0 "[ . 1 .]" 1
1139 1 121 MET ME 2 67 ILE MG 3.500 . 4.500 3.691 3.223 4.094 . 0 0 "[ . 1 .]" 1
1140 1 121 MET ME 2 68 HIS HD2 2.700 . 3.200 2.654 2.218 3.532 0.332 12 0 "[ . 1 .]" 1
1141 1 121 MET ME 2 72 LEU QB 5.000 . 5.500 3.036 1.901 4.691 . 0 0 "[ . 1 .]" 1
1142 1 121 MET ME 2 72 LEU MD1 5.000 . 6.000 2.861 2.055 3.870 . 0 0 "[ . 1 .]" 1
1143 1 121 MET ME 2 72 LEU MD2 2.700 . 3.700 3.079 1.840 3.992 0.292 8 0 "[ . 1 .]" 1
1144 1 121 MET ME 2 72 LEU HG 3.500 . 4.000 4.007 3.383 4.174 0.174 10 0 "[ . 1 .]" 1
1145 1 121 MET ME 2 75 LEU MD1 5.000 . 6.000 4.692 3.890 5.678 . 0 0 "[ . 1 .]" 1
1146 1 121 MET ME 2 75 LEU MD2 5.000 . 6.000 4.107 3.452 4.761 . 0 0 "[ . 1 .]" 1
1147 1 121 MET ME 2 91 GLY QA 5.000 . 5.500 4.625 4.005 5.276 . 0 0 "[ . 1 .]" 1
1148 1 121 MET ME 2 94 TYR QD 2.700 . 3.200 3.211 3.021 3.301 0.101 2 0 "[ . 1 .]" 1
1149 1 121 MET ME 2 94 TYR QE 2.700 . 3.200 3.172 2.819 3.292 0.092 11 0 "[ . 1 .]" 1
1150 1 121 MET ME 2 95 GLU HA 5.000 . 5.500 4.383 3.739 4.841 . 0 0 "[ . 1 .]" 1
1151 1 122 ILE H 1 123 ARG H 2.700 . 2.700 2.696 2.624 2.747 0.047 13 0 "[ . 1 .]" 1
1152 1 122 ILE HA 1 123 ARG H 3.500 . 3.500 3.566 3.545 3.582 0.082 14 0 "[ . 1 .]" 1
1153 1 122 ILE HA 1 125 ALA H 3.500 . 3.500 3.403 2.783 3.601 0.101 12 0 "[ . 1 .]" 1
1154 1 122 ILE HA 1 125 ALA MB 3.500 . 4.000 2.514 2.125 2.844 . 0 0 "[ . 1 .]" 1
1155 1 122 ILE MD 1 125 ALA MB 5.000 . 6.000 3.453 2.716 3.804 . 0 0 "[ . 1 .]" 1
1156 1 122 ILE MD 1 126 ALA H 6.000 . 6.500 6.091 5.320 6.622 0.122 15 0 "[ . 1 .]" 1
1157 1 122 ILE MD 1 131 PHE QD 5.000 . 5.500 5.525 5.200 5.605 0.105 14 0 "[ . 1 .]" 1
1158 1 122 ILE MD 1 131 PHE QE 5.000 . 5.500 3.748 3.504 3.928 . 0 0 "[ . 1 .]" 1
1159 1 122 ILE MD 1 131 PHE HZ 3.500 . 4.000 3.270 2.840 3.485 . 0 0 "[ . 1 .]" 1
1160 1 122 ILE MD 1 133 VAL MG1 6.000 . 7.000 5.817 5.209 6.370 . 0 0 "[ . 1 .]" 1
1161 1 122 ILE MD 1 133 VAL MG2 6.000 . 7.000 4.817 4.279 5.362 . 0 0 "[ . 1 .]" 1
1162 1 122 ILE MD 2 72 LEU MD1 6.000 . 7.000 5.712 5.145 6.328 . 0 0 "[ . 1 .]" 1
1163 1 122 ILE MD 2 90 LEU MD1 3.500 . 4.500 3.773 2.260 4.549 0.049 1 0 "[ . 1 .]" 1
1164 1 122 ILE MD 2 90 LEU MD2 3.500 . 4.500 3.832 2.625 4.647 0.147 14 0 "[ . 1 .]" 1
1165 1 122 ILE MD 2 94 TYR H 5.000 . 5.500 4.217 3.902 4.760 . 0 0 "[ . 1 .]" 1
1166 1 122 ILE MD 2 94 TYR HA 6.000 . 6.500 3.823 3.417 4.267 . 0 0 "[ . 1 .]" 1
1167 1 122 ILE MD 2 94 TYR QD 5.000 . 5.500 2.286 2.094 3.001 . 0 0 "[ . 1 .]" 1
1168 1 122 ILE MD 2 95 GLU H 5.000 . 5.500 5.248 4.906 5.563 0.063 10 0 "[ . 1 .]" 1
1169 1 122 ILE MG 1 131 PHE QD 5.000 . 5.500 4.869 4.497 5.058 . 0 0 "[ . 1 .]" 1
1170 1 122 ILE MG 1 131 PHE QE 3.500 . 4.000 3.102 2.773 3.319 . 0 0 "[ . 1 .]" 1
1171 1 122 ILE MG 1 131 PHE HZ 3.500 . 4.000 2.132 1.996 2.309 . 0 0 "[ . 1 .]" 1
1172 1 122 ILE MG 1 133 VAL MG1 3.500 . 4.500 3.452 2.699 3.939 . 0 0 "[ . 1 .]" 1
1173 1 122 ILE MG 2 90 LEU MD1 5.000 . 6.000 3.881 3.093 4.620 . 0 0 "[ . 1 .]" 1
1174 1 122 ILE MG 2 90 LEU MD2 5.000 . 6.000 4.477 3.370 5.672 . 0 0 "[ . 1 .]" 1
1175 1 123 ARG H 1 124 GLY H 2.700 . 2.700 2.680 2.417 2.793 0.093 13 0 "[ . 1 .]" 1
1176 1 123 ARG HA 1 126 ALA H 5.000 . 5.000 3.985 3.497 5.306 0.306 13 0 "[ . 1 .]" 1
1177 1 123 ARG HA 1 126 ALA MB 5.000 . 5.500 3.978 2.456 5.715 0.215 2 0 "[ . 1 .]" 1
1178 1 123 ARG HA 1 133 VAL MG1 5.000 . 5.500 3.799 3.325 4.455 . 0 0 "[ . 1 .]" 1
1179 1 123 ARG HA 1 133 VAL MG2 5.000 . 5.500 2.514 2.150 3.143 . 0 0 "[ . 1 .]" 1
1180 1 123 ARG QD 1 133 VAL MG1 3.500 . 4.000 2.920 2.301 3.803 . 0 0 "[ . 1 .]" 1
1181 1 123 ARG QD 1 133 VAL MG2 3.500 . 4.000 3.247 2.546 4.051 0.051 6 0 "[ . 1 .]" 1
1182 1 123 ARG HE 1 133 VAL MG1 3.500 . 4.000 3.648 2.334 4.034 0.034 10 0 "[ . 1 .]" 1
1183 1 123 ARG QG 1 133 VAL MG1 5.000 . 5.500 3.884 2.283 4.775 . 0 0 "[ . 1 .]" 1
1184 1 124 GLY H 1 125 ALA H 2.700 . 2.700 2.641 2.540 2.760 0.060 11 0 "[ . 1 .]" 1
1185 1 124 GLY H 2 64 ASP QB 5.000 . 5.000 4.497 2.435 5.003 0.003 6 0 "[ . 1 .]" 1
1186 1 124 GLY H 2 68 HIS HD2 6.000 . 6.000 4.146 3.554 6.147 0.147 12 0 "[ . 1 .]" 1
1187 1 124 GLY QA 2 65 GLN H 5.000 . 5.000 4.818 2.950 5.123 0.123 13 0 "[ . 1 .]" 1
1188 1 124 GLY QA 2 65 GLN HA 5.000 . 5.000 2.785 2.112 3.108 . 0 0 "[ . 1 .]" 1
1189 1 124 GLY QA 2 65 GLN QG 3.500 . 3.500 3.170 2.259 3.540 0.040 11 0 "[ . 1 .]" 1
1190 1 125 ALA H 1 126 ALA H 3.500 . 3.500 3.012 2.524 3.914 0.414 15 0 "[ . 1 .]" 1
1191 1 125 ALA H 2 68 HIS HD2 5.000 . 5.000 3.314 2.846 4.677 . 0 0 "[ . 1 .]" 1
1192 1 125 ALA MB 1 131 PHE QB 5.000 . 5.500 3.930 3.478 4.418 . 0 0 "[ . 1 .]" 1
1193 1 125 ALA MB 1 131 PHE QD 2.700 . 3.200 3.260 2.998 3.468 0.268 12 0 "[ . 1 .]" 1
1194 1 125 ALA MB 1 131 PHE QE 2.700 . 3.200 2.625 2.227 2.989 . 0 0 "[ . 1 .]" 1
1195 1 125 ALA MB 1 131 PHE HZ 2.700 . 3.200 2.902 2.541 3.222 0.022 2 0 "[ . 1 .]" 1
1196 1 125 ALA MB 2 68 HIS HD2 3.500 . 4.000 3.790 3.387 4.157 0.157 12 0 "[ . 1 .]" 1
1197 1 125 ALA MB 2 68 HIS HE1 5.000 . 5.500 5.088 3.083 5.602 0.102 15 0 "[ . 1 .]" 1
1198 1 125 ALA MB 2 72 LEU MD1 6.000 . 7.000 4.171 3.485 4.953 . 0 0 "[ . 1 .]" 1
1199 1 125 ALA MB 2 94 TYR QE 3.500 . 4.000 3.094 2.530 3.512 . 0 0 "[ . 1 .]" 1
1200 1 126 ALA H 1 131 PHE QD 3.500 . 3.500 3.529 3.261 3.684 0.184 1 0 "[ . 1 .]" 1
1201 1 126 ALA H 1 131 PHE QE 5.000 . 5.000 2.973 2.111 4.497 . 0 0 "[ . 1 .]" 1
1202 1 126 ALA H 1 133 VAL MG2 3.500 . 4.000 3.727 3.216 4.231 0.231 15 0 "[ . 1 .]" 1
1203 1 126 ALA HA 1 127 ASP H 3.500 . 3.500 2.708 2.164 3.478 . 0 0 "[ . 1 .]" 1
1204 1 126 ALA HA 1 131 PHE QB 5.000 . 5.000 4.236 3.467 5.017 0.017 10 0 "[ . 1 .]" 1
1205 1 126 ALA HA 1 131 PHE QD 5.000 . 5.000 2.802 1.853 4.690 . 0 0 "[ . 1 .]" 1
1206 1 126 ALA MB 1 128 GLY H 3.500 . 4.000 3.423 2.029 4.224 0.224 8 0 "[ . 1 .]" 1
1207 1 126 ALA MB 1 131 PHE QD 3.500 . 4.000 3.103 1.751 3.862 0.049 2 0 "[ . 1 .]" 1
1208 1 126 ALA MB 1 131 PHE QE 5.000 . 5.500 3.395 2.960 3.704 . 0 0 "[ . 1 .]" 1
1209 1 126 ALA MB 1 132 GLN HA 3.500 . 4.000 3.940 3.576 4.170 0.170 10 0 "[ . 1 .]" 1
1210 1 126 ALA MB 1 133 VAL H 5.000 . 5.500 4.089 3.088 4.962 . 0 0 "[ . 1 .]" 1
1211 1 126 ALA MB 1 133 VAL HB 5.000 . 5.500 4.459 3.073 5.750 0.250 3 0 "[ . 1 .]" 1
1212 1 126 ALA MB 1 133 VAL MG2 2.700 . 3.700 3.121 1.952 4.035 0.335 10 0 "[ . 1 .]" 1
1213 1 126 ALA MB 2 65 GLN QE 5.000 . 5.500 4.895 2.690 5.592 0.092 14 0 "[ . 1 .]" 1
1214 1 126 ALA MB 2 72 LEU MD1 6.000 . 7.000 7.228 7.042 7.396 0.396 15 0 "[ . 1 .]" 1
1215 1 127 ASP H 1 128 GLY H 2.700 . 2.700 2.205 1.629 2.756 0.171 14 0 "[ . 1 .]" 1
1216 1 127 ASP H 1 131 PHE QB 5.000 . 5.000 3.023 1.879 5.063 0.063 10 0 "[ . 1 .]" 1
1217 1 127 ASP H 1 131 PHE QD 3.500 . 3.500 2.385 1.755 3.906 0.406 10 0 "[ . 1 .]" 1
1218 1 127 ASP H 1 131 PHE QE 5.000 . 5.000 4.116 3.178 4.986 . 0 0 "[ . 1 .]" 1
1219 1 127 ASP HA 1 128 GLY H 3.500 . 3.500 3.401 2.988 3.524 0.024 4 0 "[ . 1 .]" 1
1220 1 128 GLY H 1 129 SER H 5.000 . 5.000 3.041 2.059 4.546 . 0 0 "[ . 1 .]" 1
1221 1 128 GLY H 1 131 PHE H 5.000 . 5.000 3.887 2.608 4.518 . 0 0 "[ . 1 .]" 1
1222 1 128 GLY H 1 131 PHE QD 3.500 . 3.500 3.404 2.829 3.713 0.213 2 0 "[ . 1 .]" 1
1223 1 128 GLY H 1 132 GLN HA 5.000 . 5.000 3.204 2.381 3.874 . 0 0 "[ . 1 .]" 1
1224 1 128 GLY H 1 132 GLN QG 3.500 . 3.500 3.336 2.886 3.661 0.161 10 0 "[ . 1 .]" 1
1225 1 128 GLY H 1 133 VAL H 6.000 . 6.000 4.819 4.016 5.787 . 0 0 "[ . 1 .]" 1
1226 1 128 GLY QA 1 131 PHE H 6.000 . 6.000 4.350 2.626 5.217 . 0 0 "[ . 1 .]" 1
1227 1 128 GLY QA 1 132 GLN QG 3.500 . 3.500 2.169 1.921 2.446 . 0 0 "[ . 1 .]" 1
1228 1 128 GLY QA 1 133 VAL H 5.000 . 5.000 4.717 3.505 5.227 0.227 8 0 "[ . 1 .]" 1
1229 1 128 GLY QA 1 134 TRP HE1 5.000 . 5.000 4.872 3.884 5.299 0.299 6 0 "[ . 1 .]" 1
1230 1 129 SER H 1 130 ARG H 2.700 . 2.700 2.774 2.262 3.025 0.325 8 0 "[ . 1 .]" 1
1231 1 129 SER H 1 130 ARG QB 5.000 . 5.000 4.779 4.416 5.228 0.228 8 0 "[ . 1 .]" 1
1232 1 129 SER H 1 131 PHE H 3.500 . 3.500 2.980 2.301 3.654 0.154 6 0 "[ . 1 .]" 1
1233 1 129 SER H 1 132 GLN QG 5.000 . 5.000 3.408 2.082 5.073 0.073 4 0 "[ . 1 .]" 1
1234 1 129 SER HA 1 130 ARG H 5.000 . 5.000 3.028 2.404 3.564 . 0 0 "[ . 1 .]" 1
1235 1 130 ARG H 1 131 PHE H 2.700 . 2.700 2.368 1.642 2.892 0.192 10 0 "[ . 1 .]" 1
1236 1 131 PHE HA 1 132 GLN H 2.700 . 2.700 2.225 2.186 2.274 . 0 0 "[ . 1 .]" 1
1237 1 131 PHE QD 1 132 GLN H 3.500 . 3.500 3.469 2.930 3.642 0.142 1 0 "[ . 1 .]" 1
1238 1 131 PHE QD 1 133 VAL H 5.000 . 5.000 4.354 3.578 5.083 0.083 5 0 "[ . 1 .]" 1
1239 1 131 PHE QD 1 133 VAL MG2 5.000 . 5.500 3.468 3.037 4.081 . 0 0 "[ . 1 .]" 1
1240 1 131 PHE QE 1 133 VAL H 5.000 . 5.000 4.304 3.766 5.015 0.015 5 0 "[ . 1 .]" 1
1241 1 131 PHE QE 1 133 VAL MG2 3.500 . 4.000 2.199 1.883 2.894 . 0 0 "[ . 1 .]" 1
1242 1 131 PHE HZ 1 133 VAL H 6.000 . 6.000 6.112 6.032 6.176 0.176 3 0 "[ . 1 .]" 1
1243 1 132 GLN HA 1 133 VAL H 2.700 . 2.700 2.198 2.095 2.381 . 0 0 "[ . 1 .]" 1
1244 1 132 GLN HA 1 134 TRP HD1 5.000 . 5.000 4.227 4.039 4.719 . 0 0 "[ . 1 .]" 1
1245 1 132 GLN HA 1 134 TRP HE1 5.000 . 5.000 4.341 4.065 4.950 . 0 0 "[ . 1 .]" 1
1246 1 132 GLN QB 1 134 TRP HE1 3.500 . 3.500 1.830 1.642 2.395 0.158 6 0 "[ . 1 .]" 1
1247 1 132 GLN QG 1 134 TRP HE1 5.000 . 5.000 3.219 2.435 3.701 . 0 0 "[ . 1 .]" 1
1248 1 133 VAL H 1 133 VAL MG2 2.700 . 3.200 2.454 2.131 2.910 . 0 0 "[ . 1 .]" 1
1249 1 133 VAL H 1 134 TRP HD1 3.500 . 3.500 3.310 3.011 3.561 0.061 15 0 "[ . 1 .]" 1
1250 1 133 VAL H 1 134 TRP HE1 5.000 . 5.000 4.601 4.181 4.920 . 0 0 "[ . 1 .]" 1
1251 1 133 VAL HA 1 134 TRP H 2.700 . 2.700 2.242 2.206 2.260 . 0 0 "[ . 1 .]" 1
1252 1 133 VAL MG1 1 134 TRP H 2.700 . 3.200 3.209 2.980 3.319 0.119 3 0 "[ . 1 .]" 1
1253 1 133 VAL MG1 1 135 ASP H 5.000 . 5.500 4.794 4.538 5.208 . 0 0 "[ . 1 .]" 1
1254 1 134 TRP HA 1 135 ASP H 2.700 . 2.700 2.290 2.261 2.346 . 0 0 "[ . 1 .]" 1
1255 1 134 TRP HD1 1 135 ASP H 5.000 . 5.000 5.001 4.874 5.074 0.074 2 0 "[ . 1 .]" 1
1256 1 134 TRP HE1 1 148 TYR QD 5.000 . 5.000 4.001 3.873 4.196 . 0 0 "[ . 1 .]" 1
1257 1 134 TRP HE1 1 148 TYR QE 5.000 . 5.000 4.734 4.451 4.977 . 0 0 "[ . 1 .]" 1
1258 1 134 TRP HE3 1 135 ASP H 5.000 . 5.000 5.238 5.144 5.354 0.354 7 0 "[ . 1 .]" 1
1259 1 134 TRP HE3 1 144 MET H 5.000 . 5.000 5.129 5.044 5.220 0.220 15 0 "[ . 1 .]" 1
1260 1 134 TRP HE3 1 144 MET HA 5.000 . 5.000 2.593 2.451 2.987 . 0 0 "[ . 1 .]" 1
1261 1 134 TRP HE3 1 144 MET ME 3.500 . 4.000 3.910 3.510 4.097 0.097 14 0 "[ . 1 .]" 1
1262 1 134 TRP HE3 1 147 ARG H 5.000 . 5.000 5.207 5.071 5.322 0.322 13 0 "[ . 1 .]" 1
1263 1 134 TRP HH2 1 147 ARG H 5.000 . 5.000 5.018 4.862 5.128 0.128 1 0 "[ . 1 .]" 1
1264 1 134 TRP HH2 1 148 TYR H 3.500 . 3.500 2.865 2.761 2.986 . 0 0 "[ . 1 .]" 1
1265 1 134 TRP HH2 1 148 TYR HA 3.500 . 3.500 2.054 1.969 2.132 . 0 0 "[ . 1 .]" 1
1266 1 134 TRP HH2 1 148 TYR QD 3.500 . 3.500 3.092 2.955 3.173 . 0 0 "[ . 1 .]" 1
1267 1 134 TRP HH2 1 148 TYR QE 5.000 . 5.000 5.220 5.185 5.258 0.258 7 0 "[ . 1 .]" 1
1268 1 134 TRP HZ2 1 148 TYR H 5.000 . 5.000 5.076 5.014 5.138 0.138 1 0 "[ . 1 .]" 1
1269 1 134 TRP HZ2 1 148 TYR HA 5.000 . 5.000 3.552 3.410 3.687 . 0 0 "[ . 1 .]" 1
1270 1 134 TRP HZ2 1 148 TYR QD 3.500 . 3.500 2.420 2.308 2.599 . 0 0 "[ . 1 .]" 1
1271 1 134 TRP HZ2 1 148 TYR QE 5.000 . 5.000 4.007 3.894 4.134 . 0 0 "[ . 1 .]" 1
1272 1 134 TRP HZ3 1 144 MET H 6.000 . 6.000 5.619 5.433 5.811 . 0 0 "[ . 1 .]" 1
1273 1 134 TRP HZ3 1 144 MET HA 5.000 . 5.000 2.953 2.684 3.227 . 0 0 "[ . 1 .]" 1
1274 1 134 TRP HZ3 1 144 MET ME 5.000 . 5.500 5.070 4.899 5.303 . 0 0 "[ . 1 .]" 1
1275 1 134 TRP HZ3 1 147 ARG H 3.500 . 3.500 3.428 3.380 3.504 0.004 13 0 "[ . 1 .]" 1
1276 1 134 TRP HZ3 1 148 TYR H 3.500 . 3.500 2.149 2.007 2.365 . 0 0 "[ . 1 .]" 1
1277 1 134 TRP HZ3 1 148 TYR QD 5.000 . 5.000 4.463 4.308 4.545 . 0 0 "[ . 1 .]" 1
1278 1 135 ASP HA 1 136 TYR H 2.700 . 2.700 2.380 2.280 2.448 . 0 0 "[ . 1 .]" 1
1279 1 135 ASP HA 1 136 TYR QD 3.500 . 3.500 3.209 3.078 3.366 . 0 0 "[ . 1 .]" 1
1280 1 136 TYR HA 1 137 ALA H 2.700 . 2.700 2.589 2.471 2.732 0.032 4 0 "[ . 1 .]" 1
1281 1 136 TYR HA 1 144 MET ME 3.500 . 4.000 2.251 2.084 2.543 . 0 0 "[ . 1 .]" 1
1282 1 136 TYR QB 1 144 MET ME 5.000 . 5.500 1.957 1.919 2.010 . 0 0 "[ . 1 .]" 1
1283 1 136 TYR QD 1 137 ALA H 3.500 . 3.500 2.396 1.873 2.855 . 0 0 "[ . 1 .]" 1
1284 1 136 TYR QD 1 140 GLU H 5.000 . 5.000 3.898 3.461 5.192 0.192 7 0 "[ . 1 .]" 1
1285 1 136 TYR QD 1 141 VAL H 5.000 . 5.000 3.003 2.575 3.229 . 0 0 "[ . 1 .]" 1
1286 1 136 TYR QD 1 141 VAL HA 3.500 . 3.500 2.384 2.204 2.774 . 0 0 "[ . 1 .]" 1
1287 1 136 TYR QD 1 141 VAL MG1 3.500 . 4.000 3.864 3.786 3.925 . 0 0 "[ . 1 .]" 1
1288 1 136 TYR QD 1 141 VAL MG2 5.000 . 5.500 2.564 2.345 3.269 . 0 0 "[ . 1 .]" 1
1289 1 136 TYR QD 1 144 MET ME 3.500 . 4.000 3.844 3.781 3.909 . 0 0 "[ . 1 .]" 1
1290 1 136 TYR QE 1 138 GLU HA 3.500 . 3.500 3.206 2.057 3.524 0.024 11 0 "[ . 1 .]" 1
1291 1 136 TYR QE 1 138 GLU QG 3.500 . 3.500 3.535 3.483 3.738 0.238 7 0 "[ . 1 .]" 1
1292 1 136 TYR QE 1 141 VAL H 5.000 . 5.000 4.491 4.102 4.693 . 0 0 "[ . 1 .]" 1
1293 1 136 TYR QE 1 141 VAL HA 5.000 . 5.000 4.206 4.051 4.342 . 0 0 "[ . 1 .]" 1
1294 1 136 TYR QE 1 141 VAL MG1 3.500 . 4.000 3.894 3.516 4.034 0.034 14 0 "[ . 1 .]" 1
1295 1 136 TYR QE 1 141 VAL MG2 5.000 . 5.500 2.586 2.321 3.281 . 0 0 "[ . 1 .]" 1
1296 1 136 TYR QE 1 144 MET ME 5.000 . 5.500 5.633 5.563 5.702 0.202 7 0 "[ . 1 .]" 1
1297 1 136 TYR HH 1 141 VAL MG2 6.000 . 6.500 4.031 2.961 4.992 . 0 0 "[ . 1 .]" 1
1298 1 137 ALA H 1 140 GLU H 5.000 . 5.000 3.312 2.882 5.225 0.225 7 0 "[ . 1 .]" 1
1299 1 137 ALA H 1 140 GLU QG 3.500 . 3.500 2.602 1.784 3.545 0.045 9 0 "[ . 1 .]" 1
1300 1 137 ALA HA 1 138 GLU H 2.700 . 2.700 2.360 2.325 2.409 . 0 0 "[ . 1 .]" 1
1301 1 137 ALA HA 1 140 GLU QG 5.000 . 5.000 4.549 3.772 5.024 0.024 3 0 "[ . 1 .]" 1
1302 1 137 ALA MB 1 140 GLU H 3.500 . 4.000 3.460 3.101 4.246 0.246 7 0 "[ . 1 .]" 1
1303 1 137 ALA MB 1 140 GLU QG 3.500 . 4.000 2.554 2.218 3.136 . 0 0 "[ . 1 .]" 1
1304 1 138 GLU HA 1 141 VAL H 5.000 . 5.000 3.603 3.332 5.034 0.034 7 0 "[ . 1 .]" 1
1305 1 138 GLU HA 1 141 VAL HB 6.000 . 6.000 2.912 2.647 3.738 . 0 0 "[ . 1 .]" 1
1306 1 138 GLU HA 1 141 VAL MG1 5.000 . 5.500 3.452 3.145 4.213 . 0 0 "[ . 1 .]" 1
1307 1 138 GLU QB 1 141 VAL MG1 5.000 . 5.500 4.534 4.299 5.005 . 0 0 "[ . 1 .]" 1
1308 1 138 GLU QG 1 141 VAL MG1 5.000 . 5.500 4.907 4.675 5.556 0.056 7 0 "[ . 1 .]" 1
1309 1 139 GLY H 1 140 GLU H 5.000 . 5.000 2.581 1.790 4.412 0.010 4 0 "[ . 1 .]" 1
1310 1 139 GLY QA 1 140 GLU H 3.500 . 3.500 2.902 2.295 2.970 . 0 0 "[ . 1 .]" 1
1311 1 140 GLU H 1 141 VAL H 2.700 . 2.700 1.862 1.709 2.861 0.161 7 0 "[ . 1 .]" 1
1312 1 140 GLU HA 1 143 THR H 3.500 . 3.500 3.064 2.950 3.149 . 0 0 "[ . 1 .]" 1
1313 1 140 GLU HA 1 143 THR HB 5.000 . 5.000 3.473 2.973 3.860 . 0 0 "[ . 1 .]" 1
1314 1 140 GLU HA 1 143 THR MG 5.000 . 5.500 4.556 4.298 4.817 . 0 0 "[ . 1 .]" 1
1315 1 140 GLU HA 1 144 MET ME 5.000 . 5.500 4.729 3.955 5.576 0.076 6 0 "[ . 1 .]" 1
1316 1 140 GLU QG 1 143 THR HB 5.000 . 5.000 4.122 3.242 4.967 . 0 0 "[ . 1 .]" 1
1317 1 140 GLU QG 1 143 THR MG 5.000 . 5.500 4.840 4.364 5.391 . 0 0 "[ . 1 .]" 1
1318 1 140 GLU QG 1 144 MET ME 3.500 . 4.000 3.178 2.153 4.079 0.079 9 0 "[ . 1 .]" 1
1319 1 141 VAL H 1 141 VAL MG1 2.700 . 3.200 2.545 2.347 2.719 . 0 0 "[ . 1 .]" 1
1320 1 141 VAL H 1 142 GLU H 2.700 . 2.700 2.818 2.783 2.848 0.148 9 0 "[ . 1 .]" 1
1321 1 141 VAL HA 1 141 VAL MG2 2.700 . 3.200 2.162 2.116 2.228 . 0 0 "[ . 1 .]" 1
1322 1 141 VAL HA 1 144 MET H 3.500 . 3.500 3.246 3.061 3.427 . 0 0 "[ . 1 .]" 1
1323 1 141 VAL HA 1 144 MET QB 5.000 . 5.000 3.078 2.609 4.016 . 0 0 "[ . 1 .]" 1
1324 1 141 VAL HA 1 144 MET ME 3.500 . 4.000 3.575 3.219 3.959 . 0 0 "[ . 1 .]" 1
1325 1 141 VAL MG1 1 142 GLU H 2.700 . 3.200 1.755 1.719 1.791 0.081 12 0 "[ . 1 .]" 1
1326 1 141 VAL MG1 1 142 GLU QG 5.000 . 5.500 2.814 2.097 4.265 . 0 0 "[ . 1 .]" 1
1327 1 141 VAL MG1 1 145 LEU MD1 5.000 . 6.000 3.167 2.878 3.516 . 0 0 "[ . 1 .]" 1
1328 1 141 VAL MG2 1 144 MET ME 3.500 . 4.500 4.595 4.529 4.669 0.169 8 0 "[ . 1 .]" 1
1329 1 141 VAL MG2 1 145 LEU MD1 3.500 . 4.500 3.008 2.513 3.426 . 0 0 "[ . 1 .]" 1
1330 1 141 VAL MG2 1 145 LEU HG 3.500 . 4.000 3.371 3.204 3.515 . 0 0 "[ . 1 .]" 1
1331 1 142 GLU H 1 143 THR H 2.700 . 2.700 2.705 2.625 2.753 0.053 13 0 "[ . 1 .]" 1
1332 1 142 GLU HA 1 145 LEU H 5.000 . 5.000 3.579 3.462 3.742 . 0 0 "[ . 1 .]" 1
1333 1 142 GLU HA 1 145 LEU MD1 5.000 . 5.500 2.500 2.295 3.044 . 0 0 "[ . 1 .]" 1
1334 1 143 THR H 1 144 MET H 2.700 . 2.700 2.669 2.601 2.724 0.024 6 0 "[ . 1 .]" 1
1335 1 143 THR HA 1 146 ASP H 3.500 . 3.500 3.002 2.929 3.066 . 0 0 "[ . 1 .]" 1
1336 1 143 THR HA 1 146 ASP QB 5.000 . 5.000 2.145 2.052 2.255 . 0 0 "[ . 1 .]" 1
1337 1 143 THR HB 1 144 MET H 3.500 . 3.500 2.555 2.442 2.673 . 0 0 "[ . 1 .]" 1
1338 1 143 THR HB 1 144 MET ME 3.500 . 4.000 2.991 2.352 3.951 . 0 0 "[ . 1 .]" 1
1339 1 143 THR MG 1 144 MET HA 5.000 . 5.500 3.771 3.542 3.940 . 0 0 "[ . 1 .]" 1
1340 1 143 THR MG 1 144 MET ME 3.500 . 4.500 3.342 2.685 4.240 . 0 0 "[ . 1 .]" 1
1341 1 143 THR MG 1 146 ASP H 3.500 . 4.000 4.125 4.091 4.158 0.158 1 0 "[ . 1 .]" 1
1342 1 143 THR MG 1 146 ASP QB 3.500 . 4.000 2.821 2.692 2.958 . 0 0 "[ . 1 .]" 1
1343 1 143 THR MG 1 147 ARG H 5.000 . 5.500 3.437 3.207 3.672 . 0 0 "[ . 1 .]" 1
1344 1 143 THR MG 1 147 ARG QD 3.500 . 4.000 2.711 2.385 3.122 . 0 0 "[ . 1 .]" 1
1345 1 143 THR MG 1 147 ARG QG 3.500 . 4.000 2.938 2.641 3.284 . 0 0 "[ . 1 .]" 1
1346 1 144 MET H 1 145 LEU H 2.700 . 2.700 2.794 2.765 2.825 0.125 1 0 "[ . 1 .]" 1
1347 1 144 MET HA 1 147 ARG H 5.000 . 5.000 3.578 3.189 3.769 . 0 0 "[ . 1 .]" 1
1348 1 144 MET HA 1 147 ARG QB 5.000 . 5.000 3.136 2.631 3.571 . 0 0 "[ . 1 .]" 1
1349 1 144 MET HA 1 147 ARG QD 3.500 . 3.500 3.463 2.979 3.549 0.049 14 0 "[ . 1 .]" 1
1350 1 144 MET ME 1 147 ARG QD 3.500 . 4.000 3.928 3.706 4.051 0.051 6 0 "[ . 1 .]" 1
1351 1 145 LEU H 1 146 ASP H 2.700 . 2.700 2.620 2.531 2.693 . 0 0 "[ . 1 .]" 1
1352 1 145 LEU HA 1 145 LEU MD2 3.500 . 4.000 2.170 2.095 2.241 . 0 0 "[ . 1 .]" 1
1353 1 145 LEU MD1 1 149 PHE QD 6.000 . 6.500 4.081 3.933 4.177 . 0 0 "[ . 1 .]" 1
1354 1 145 LEU MD1 1 149 PHE QE 5.000 . 5.500 3.310 2.873 3.565 . 0 0 "[ . 1 .]" 1
1355 1 145 LEU MD1 1 149 PHE HZ 5.000 . 5.500 5.231 4.586 5.521 0.021 11 0 "[ . 1 .]" 1
1356 1 145 LEU MD2 1 149 PHE QD 5.000 . 5.500 3.466 3.070 3.920 . 0 0 "[ . 1 .]" 1
1357 1 145 LEU MD2 1 149 PHE QE 3.500 . 4.000 2.380 2.152 2.967 . 0 0 "[ . 1 .]" 1
1358 1 145 LEU MD2 1 149 PHE HZ 3.500 . 4.000 3.970 3.844 4.043 0.043 4 0 "[ . 1 .]" 1
1359 1 146 ASP H 1 147 ARG H 2.700 . 2.700 2.737 2.657 2.833 0.133 13 0 "[ . 1 .]" 1
1360 1 146 ASP HA 1 150 GLU QG 5.000 . 5.000 3.437 3.139 4.683 . 0 0 "[ . 1 .]" 1
1361 1 147 ARG H 1 148 TYR H 2.700 . 2.700 2.639 2.586 2.693 . 0 0 "[ . 1 .]" 1
1362 1 147 ARG HA 1 150 GLU H 3.500 . 3.500 3.458 3.365 3.525 0.025 3 0 "[ . 1 .]" 1
1363 1 147 ARG HA 1 151 ALA MB 5.000 . 5.500 4.723 4.457 4.843 . 0 0 "[ . 1 .]" 1
1364 1 147 ARG QG 1 151 ALA MB 5.000 . 5.500 5.460 5.348 5.534 0.034 12 0 "[ . 1 .]" 1
1365 1 148 TYR H 1 149 PHE H 2.700 . 2.700 2.792 2.772 2.833 0.133 12 0 "[ . 1 .]" 1
1366 1 148 TYR HA 1 151 ALA MB 5.000 . 5.500 2.986 2.684 3.447 . 0 0 "[ . 1 .]" 1
1367 1 148 TYR QD 1 149 PHE QD 3.500 . 3.500 3.366 3.054 3.542 0.042 5 0 "[ . 1 .]" 1
1368 1 148 TYR QD 1 149 PHE QE 5.000 . 5.000 3.774 3.598 3.971 . 0 0 "[ . 1 .]" 1
1369 1 148 TYR QD 1 149 PHE HZ 5.000 . 5.000 4.589 4.301 4.764 . 0 0 "[ . 1 .]" 1
1370 1 148 TYR QD 1 151 ALA H 5.000 . 5.000 5.078 5.040 5.103 0.103 4 0 "[ . 1 .]" 1
1371 1 148 TYR QD 1 151 ALA MB 6.000 . 6.500 4.283 3.596 4.749 . 0 0 "[ . 1 .]" 1
1372 1 148 TYR QD 1 152 TYR QD 5.000 . 5.000 4.144 3.466 4.566 . 0 0 "[ . 1 .]" 1
1373 1 148 TYR QD 1 152 TYR QE 6.000 . 6.000 4.601 3.058 5.918 . 0 0 "[ . 1 .]" 1
1374 1 148 TYR QE 1 149 PHE QD 5.000 . 5.000 4.104 3.826 4.305 . 0 0 "[ . 1 .]" 1
1375 1 148 TYR QE 1 149 PHE QE 5.000 . 5.000 3.701 3.176 3.941 . 0 0 "[ . 1 .]" 1
1376 1 148 TYR QE 1 149 PHE HZ 5.000 . 5.000 4.941 4.287 5.059 0.059 15 0 "[ . 1 .]" 1
1377 1 148 TYR QE 1 151 ALA MB 5.000 . 5.500 4.795 4.193 5.264 . 0 0 "[ . 1 .]" 1
1378 1 148 TYR QE 1 152 TYR QD 3.500 . 3.500 3.372 2.997 3.540 0.040 1 0 "[ . 1 .]" 1
1379 1 148 TYR QE 1 152 TYR QE 5.000 . 5.000 3.250 2.240 4.313 . 0 0 "[ . 1 .]" 1
1380 1 148 TYR QE 1 153 LEU MD1 5.000 . 5.500 5.560 5.313 5.617 0.117 11 0 "[ . 1 .]" 1
1381 1 149 PHE HA 1 152 TYR H 3.500 . 3.500 3.237 2.759 3.526 0.026 3 0 "[ . 1 .]" 1
1382 1 149 PHE HA 1 152 TYR QD 5.000 . 5.000 3.675 2.940 4.258 . 0 0 "[ . 1 .]" 1
1383 1 149 PHE QD 1 152 TYR QD 3.500 . 3.500 3.511 3.206 3.605 0.105 6 0 "[ . 1 .]" 1
1384 1 149 PHE QD 1 153 LEU H 5.000 . 5.000 3.754 2.677 5.222 0.222 11 0 "[ . 1 .]" 1
1385 1 149 PHE QD 1 153 LEU MD1 3.500 . 4.000 2.258 2.035 2.607 . 0 0 "[ . 1 .]" 1
1386 1 149 PHE QD 1 153 LEU MD2 3.500 . 4.000 3.689 3.033 4.050 0.050 5 0 "[ . 1 .]" 1
1387 1 149 PHE QE 1 153 LEU MD1 5.000 . 5.500 2.889 2.671 3.158 . 0 0 "[ . 1 .]" 1
1388 1 149 PHE QE 1 153 LEU MD2 5.000 . 5.500 4.042 3.122 4.764 . 0 0 "[ . 1 .]" 1
1389 1 149 PHE HZ 1 153 LEU MD1 3.500 . 4.000 3.989 3.691 4.161 0.161 12 0 "[ . 1 .]" 1
1390 1 150 GLU H 1 151 ALA H 2.700 . 2.700 2.484 2.385 2.596 . 0 0 "[ . 1 .]" 1
1391 1 150 GLU HA 1 153 LEU H 5.000 . 5.000 4.505 3.236 5.142 0.142 7 0 "[ . 1 .]" 1
1392 1 150 GLU HA 1 153 LEU MD1 5.000 . 5.500 5.306 5.002 5.520 0.020 14 0 "[ . 1 .]" 1
1393 1 150 GLU QG 1 153 LEU MD1 5.000 . 5.500 5.578 5.506 5.623 0.123 11 0 "[ . 1 .]" 1
1394 1 151 ALA H 1 152 TYR H 2.700 . 2.700 2.634 2.481 2.776 0.076 13 0 "[ . 1 .]" 1
1395 1 151 ALA MB 1 152 TYR QD 3.500 . 4.000 3.744 3.368 3.958 . 0 0 "[ . 1 .]" 1
1396 1 151 ALA MB 1 152 TYR QE 5.000 . 5.500 5.597 5.243 5.789 0.289 10 0 "[ . 1 .]" 1
1397 1 152 TYR H 1 153 LEU H 3.500 . 3.500 2.718 1.791 3.599 0.099 4 0 "[ . 1 .]" 1
1398 1 152 TYR QD 1 153 LEU MD2 3.500 . 4.000 3.445 2.178 4.153 0.153 4 0 "[ . 1 .]" 1
1399 1 152 TYR QE 1 153 LEU MD1 5.000 . 5.500 4.713 3.207 5.649 0.149 12 0 "[ . 1 .]" 1
1400 1 152 TYR QE 1 153 LEU MD2 3.500 . 4.000 3.474 2.550 4.060 0.060 8 0 "[ . 1 .]" 1
1401 1 152 TYR QE 1 156 LYS QD 3.500 . 3.500 3.487 2.863 3.621 0.121 10 0 "[ . 1 .]" 1
1402 1 152 TYR QE 1 156 LYS QE 5.000 . 5.000 4.301 3.346 4.952 . 0 0 "[ . 1 .]" 1
1403 1 153 LEU HA 1 154 PRO QD 3.500 . 3.500 2.738 2.062 3.520 0.020 3 0 "[ . 1 .]" 1
1404 1 153 LEU MD2 1 154 PRO QD 3.500 . 4.000 3.656 2.597 4.222 0.222 9 0 "[ . 1 .]" 1
1405 1 153 LEU MD2 1 156 LYS QB 5.000 . 5.500 3.099 2.080 5.160 . 0 0 "[ . 1 .]" 1
1406 1 153 LEU MD2 1 156 LYS QD 5.000 . 5.500 2.623 2.046 4.180 . 0 0 "[ . 1 .]" 1
1407 1 153 LEU MD2 1 156 LYS QE 3.500 . 4.000 3.545 3.050 3.995 . 0 0 "[ . 1 .]" 1
1408 1 154 PRO HA 1 155 GLN H 3.500 . 3.500 3.331 2.231 3.560 0.060 1 0 "[ . 1 .]" 1
1409 1 154 PRO HA 1 157 THR HB 5.000 . 5.000 4.534 2.327 5.052 0.052 10 0 "[ . 1 .]" 1
1410 1 156 LYS HA 1 159 SER QB 5.000 . 5.000 4.306 2.815 5.034 0.034 8 0 "[ . 1 .]" 1
1411 1 162 HIS HA 1 163 PRO HD2 2.700 . 2.700 2.380 2.266 2.561 . 0 0 "[ . 1 .]" 1
1412 1 162 HIS HA 1 163 PRO HD3 2.700 . 2.700 2.465 2.199 2.702 0.002 3 0 "[ . 1 .]" 1
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