NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555574 |
2lqu   |
18329 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lqu
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 1175
_Distance_constraint_stats_list.Viol_count 872
_Distance_constraint_stats_list.Viol_total 1306.660
_Distance_constraint_stats_list.Viol_max 0.498
_Distance_constraint_stats_list.Viol_rms 0.0506
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.1498
_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 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 GLY 0.983 0.402 6 0 "[ . 1]"
1 4 LEU 2.177 0.304 8 0 "[ . 1]"
1 5 THR 0.957 0.249 10 0 "[ . 1]"
1 7 ALA 1.564 0.439 1 0 "[ . 1]"
1 8 THR 2.465 0.430 3 0 "[ . 1]"
1 9 LYS 2.539 0.304 8 0 "[ . 1]"
1 10 ILE 2.013 0.439 1 0 "[ . 1]"
1 11 ARG 1.012 0.335 10 0 "[ . 1]"
1 12 LEU 1.596 0.243 10 0 "[ . 1]"
1 13 GLU 0.000 0.000 . 0 "[ . 1]"
1 14 ARG 0.390 0.215 2 0 "[ . 1]"
1 15 SER 0.000 0.000 . 0 "[ . 1]"
1 16 ALA 0.154 0.113 1 0 "[ . 1]"
1 17 LYS 0.000 0.000 . 0 "[ . 1]"
1 18 ASP 2.083 0.408 8 0 "[ . 1]"
1 19 ILE 1.662 0.298 7 0 "[ . 1]"
1 20 THR 3.923 0.448 5 0 "[ . 1]"
1 21 ASP 0.011 0.011 8 0 "[ . 1]"
1 22 GLU 0.000 0.000 . 0 "[ . 1]"
1 23 ILE 9.046 0.479 6 0 "[ . 1]"
1 24 ASP 0.000 0.000 . 0 "[ . 1]"
1 25 ALA 0.000 0.000 . 0 "[ . 1]"
1 26 ILE 2.003 0.383 9 0 "[ . 1]"
1 27 LYS 0.622 0.209 7 0 "[ . 1]"
1 28 LYS 0.000 0.000 . 0 "[ . 1]"
1 29 ASP 0.606 0.230 3 0 "[ . 1]"
1 30 ALA 3.031 0.253 2 0 "[ . 1]"
1 31 ALA 0.000 0.000 . 0 "[ . 1]"
1 32 LEU 1.422 0.324 3 0 "[ . 1]"
1 33 LYS 1.018 0.324 3 0 "[ . 1]"
1 34 GLY 0.538 0.241 1 0 "[ . 1]"
1 35 VAL 1.492 0.241 1 0 "[ . 1]"
1 36 ASN 1.071 0.419 2 0 "[ . 1]"
1 37 PHE 2.828 0.362 3 0 "[ . 1]"
1 38 ASP 0.000 0.000 . 0 "[ . 1]"
1 39 ALA 1.479 0.496 2 0 "[ . 1]"
1 40 PHE 0.779 0.320 2 0 "[ . 1]"
1 41 LYS 0.000 0.000 . 0 "[ . 1]"
1 42 ASP 0.191 0.191 2 0 "[ . 1]"
1 43 LYS 0.191 0.191 2 0 "[ . 1]"
1 44 LYS 0.976 0.225 2 0 "[ . 1]"
1 48 GLY 2.092 0.388 7 0 "[ . 1]"
1 49 VAL 0.000 0.000 . 0 "[ . 1]"
1 50 SER 0.315 0.159 1 0 "[ . 1]"
1 51 GLU 2.621 0.453 6 0 "[ . 1]"
1 52 ASN 0.000 0.000 . 0 "[ . 1]"
1 53 PRO 1.486 0.299 10 0 "[ . 1]"
1 54 PHE 0.352 0.098 9 0 "[ . 1]"
1 55 ILE 6.002 0.496 2 0 "[ . 1]"
1 56 LEU 2.486 0.453 6 0 "[ . 1]"
1 57 GLU 2.378 0.388 7 0 "[ . 1]"
1 58 ALA 2.796 0.356 4 0 "[ . 1]"
1 59 LYS 2.307 0.291 7 0 "[ . 1]"
1 60 VAL 0.872 0.157 4 0 "[ . 1]"
1 61 ARG 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 2.340 0.383 9 0 "[ . 1]"
1 63 THR 1.482 0.303 3 0 "[ . 1]"
1 64 THR 3.812 0.479 6 0 "[ . 1]"
1 65 VAL 6.541 0.408 8 0 "[ . 1]"
1 66 ALA 4.057 0.448 5 0 "[ . 1]"
1 67 GLU 0.394 0.394 5 0 "[ . 1]"
1 68 LYS 1.701 0.394 5 0 "[ . 1]"
1 69 PHE 1.563 0.346 4 0 "[ . 1]"
1 70 VAL 4.520 0.484 8 0 "[ . 1]"
1 71 ILE 3.949 0.468 9 0 "[ . 1]"
1 72 ALA 2.725 0.430 3 0 "[ . 1]"
1 73 ILE 5.385 0.372 5 0 "[ . 1]"
1 74 GLU 0.077 0.043 9 0 "[ . 1]"
1 75 GLU 0.000 0.000 . 0 "[ . 1]"
1 76 GLU 0.388 0.169 3 0 "[ . 1]"
1 77 ALA 1.530 0.292 1 0 "[ . 1]"
1 78 THR 1.648 0.276 6 0 "[ . 1]"
1 79 LYS 1.293 0.405 1 0 "[ . 1]"
1 80 LEU 4.141 0.466 5 0 "[ . 1]"
1 81 LYS 4.955 0.487 3 0 "[ . 1]"
1 82 GLU 0.430 0.221 1 0 "[ . 1]"
1 83 THR 1.881 0.300 2 0 "[ . 1]"
1 84 GLY 2.719 0.487 3 0 "[ . 1]"
1 86 SER 0.203 0.097 5 0 "[ . 1]"
1 87 GLY 0.000 0.000 . 0 "[ . 1]"
1 88 GLU 0.000 0.000 . 0 "[ . 1]"
1 89 PHE 1.741 0.307 10 0 "[ . 1]"
1 90 SER 0.000 0.000 . 0 "[ . 1]"
1 91 ALA 0.733 0.402 6 0 "[ . 1]"
1 92 MET 5.796 0.451 8 0 "[ . 1]"
1 93 TYR 6.473 0.473 4 0 "[ . 1]"
1 94 ASP 0.000 0.000 . 0 "[ . 1]"
1 95 LEU 7.142 0.451 8 0 "[ . 1]"
1 96 MET 3.357 0.307 7 0 "[ . 1]"
1 97 PHE 1.221 0.191 1 0 "[ . 1]"
1 98 GLU 0.984 0.382 6 0 "[ . 1]"
1 99 VAL 0.199 0.113 1 0 "[ . 1]"
1 100 SER 0.000 0.000 . 0 "[ . 1]"
1 101 LYS 0.959 0.382 6 0 "[ . 1]"
1 102 PRO 0.195 0.105 8 0 "[ . 1]"
1 103 LEU 2.664 0.214 1 0 "[ . 1]"
1 104 GLN 0.000 0.000 . 0 "[ . 1]"
1 105 LYS 0.000 0.000 . 0 "[ . 1]"
1 106 LEU 0.720 0.108 2 0 "[ . 1]"
1 107 GLY 0.064 0.064 3 0 "[ . 1]"
1 108 ILE 3.503 0.392 1 0 "[ . 1]"
1 109 GLN 0.375 0.280 4 0 "[ . 1]"
1 110 GLU 2.377 0.345 2 0 "[ . 1]"
1 111 MET 2.225 0.317 6 0 "[ . 1]"
1 112 THR 0.268 0.191 1 0 "[ . 1]"
1 113 LYS 0.692 0.345 2 0 "[ . 1]"
1 114 THR 2.213 0.392 1 0 "[ . 1]"
1 115 VAL 2.022 0.345 2 0 "[ . 1]"
1 116 SER 0.000 0.000 . 0 "[ . 1]"
1 117 ASP 0.268 0.183 7 0 "[ . 1]"
1 118 ALA 4.354 0.431 10 0 "[ . 1]"
1 119 ALA 2.458 0.457 4 0 "[ . 1]"
1 120 GLU 0.383 0.183 7 0 "[ . 1]"
1 121 GLU 0.971 0.457 4 0 "[ . 1]"
1 122 ASN 0.341 0.151 3 0 "[ . 1]"
1 123 PRO 1.639 0.353 4 0 "[ . 1]"
1 124 PRO 1.499 0.251 7 0 "[ . 1]"
1 125 THR 0.227 0.097 5 0 "[ . 1]"
1 126 THR 0.341 0.110 8 0 "[ . 1]"
1 127 ALA 3.107 0.308 9 0 "[ . 1]"
1 128 GLN 0.000 0.000 . 0 "[ . 1]"
1 129 GLY 0.000 0.000 . 0 "[ . 1]"
1 130 VAL 7.465 0.431 10 0 "[ . 1]"
1 131 LEU 1.745 0.224 9 0 "[ . 1]"
1 132 GLU 1.319 0.203 7 0 "[ . 1]"
1 133 ILE 3.631 0.342 8 0 "[ . 1]"
1 134 ALA 3.502 0.326 2 0 "[ . 1]"
1 135 LYS 0.000 0.000 . 0 "[ . 1]"
1 136 LYS 0.000 0.000 . 0 "[ . 1]"
1 137 MET 16.887 0.473 4 0 "[ . 1]"
1 138 ARG 2.582 0.468 9 0 "[ . 1]"
1 139 GLU 0.000 0.000 . 0 "[ . 1]"
1 140 LYS 1.517 0.254 9 0 "[ . 1]"
1 141 LEU 5.317 0.484 8 0 "[ . 1]"
1 142 GLN 1.199 0.303 3 0 "[ . 1]"
1 143 ARG 0.611 0.254 9 0 "[ . 1]"
1 144 VAL 0.585 0.221 5 0 "[ . 1]"
1 145 HIS 0.068 0.068 6 0 "[ . 1]"
1 146 THR 0.631 0.157 4 0 "[ . 1]"
1 147 LYS 0.000 0.000 . 0 "[ . 1]"
1 148 ASN 0.000 0.000 . 0 "[ . 1]"
1 149 TYR 0.506 0.199 2 0 "[ . 1]"
1 150 CYS 0.000 0.000 . 0 "[ . 1]"
1 151 THR 0.230 0.230 4 0 "[ . 1]"
1 152 LEU 4.271 0.341 7 0 "[ . 1]"
1 153 LYS 0.614 0.199 2 0 "[ . 1]"
1 154 LYS 3.672 0.449 9 0 "[ . 1]"
1 155 LYS 4.337 0.498 9 0 "[ . 1]"
1 156 GLU 0.000 0.000 . 0 "[ . 1]"
1 157 ASN 0.000 0.000 . 0 "[ . 1]"
1 158 SER 2.295 0.498 9 0 "[ . 1]"
1 160 PHE 2.211 0.332 2 0 "[ . 1]"
1 162 ASP 1.445 0.332 2 0 "[ . 1]"
1 163 GLU 0.766 0.269 3 0 "[ . 1]"
1 166 LYS 0.071 0.071 10 0 "[ . 1]"
1 167 ASN 0.071 0.071 10 0 "[ . 1]"
1 168 ASN 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ALA MB 1 3 GLY QA 6.129 . 6.129 3.664 3.400 3.946 . 0 0 "[ . 1]" 1
2 1 2 ALA MB 1 91 ALA MB 5.430 . 5.430 4.510 3.701 5.381 . 0 0 "[ . 1]" 1
3 1 3 GLY QA 1 4 LEU HA 6.220 . 6.220 4.120 3.950 4.279 . 0 0 "[ . 1]" 1
4 1 3 GLY QA 1 4 LEU QD 5.687 . 5.687 3.927 3.002 4.926 . 0 0 "[ . 1]" 1
5 1 3 GLY QA 1 9 LYS QB 6.210 . 6.210 5.271 3.501 6.455 0.245 5 0 "[ . 1]" 1
6 1 3 GLY QA 1 91 ALA MB 3.810 . 3.810 3.405 2.341 4.212 0.402 6 0 "[ . 1]" 1
7 1 4 LEU H 1 5 THR H 6.792 . 6.792 3.713 1.937 4.659 . 0 0 "[ . 1]" 1
8 1 4 LEU HA 1 5 THR MG 6.168 . 6.168 4.135 3.035 5.489 . 0 0 "[ . 1]" 1
9 1 4 LEU HA 1 8 THR MG 7.000 . 7.000 6.412 5.358 7.110 0.110 6 0 "[ . 1]" 1
10 1 4 LEU HA 1 9 LYS QB 5.460 . 5.460 3.038 2.278 5.203 . 0 0 "[ . 1]" 1
11 1 4 LEU HA 1 12 LEU QD 5.950 . 5.950 5.920 5.221 6.170 0.220 3 0 "[ . 1]" 1
12 1 4 LEU QB 1 9 LYS H 6.150 . 6.150 5.359 3.182 6.335 0.185 4 0 "[ . 1]" 1
13 1 4 LEU QD 1 5 THR MG 7.000 . 7.000 4.723 3.992 5.282 . 0 0 "[ . 1]" 1
14 1 4 LEU QD 1 9 LYS HA 5.350 . 5.350 4.736 2.548 5.654 0.304 8 0 "[ . 1]" 1
15 1 4 LEU QD 1 9 LYS QB 4.100 . 4.100 3.151 2.226 3.938 . 0 0 "[ . 1]" 1
16 1 4 LEU QD 1 9 LYS QG 4.950 . 4.950 3.086 2.258 4.133 . 0 0 "[ . 1]" 1
17 1 4 LEU HG 1 9 LYS QB 4.810 . 4.810 3.991 2.896 4.998 0.188 10 0 "[ . 1]" 1
18 1 5 THR H 1 9 LYS H 5.739 . 5.739 4.629 3.166 5.921 0.182 1 0 "[ . 1]" 1
19 1 5 THR MG 1 9 LYS HA 5.999 . 5.999 5.456 3.199 6.248 0.249 10 0 "[ . 1]" 1
20 1 5 THR MG 1 9 LYS QB 6.584 . 6.584 4.341 2.070 5.222 . 0 0 "[ . 1]" 1
21 1 5 THR MG 1 12 LEU QD 5.980 . 5.980 5.138 4.029 6.223 0.243 10 0 "[ . 1]" 1
22 1 7 ALA HA 1 10 ILE HB 4.540 . 4.540 3.689 2.823 4.979 0.439 1 0 "[ . 1]" 1
23 1 7 ALA HA 1 10 ILE MD 4.040 . 4.040 2.722 2.219 3.715 . 0 0 "[ . 1]" 1
24 1 7 ALA HA 1 10 ILE QG 5.090 . 5.090 3.178 2.123 4.218 . 0 0 "[ . 1]" 1
25 1 7 ALA HA 1 10 ILE MG 5.140 . 5.140 4.619 3.704 4.929 . 0 0 "[ . 1]" 1
26 1 7 ALA MB 1 8 THR HA 6.701 . 6.701 3.848 3.640 4.054 . 0 0 "[ . 1]" 1
27 1 7 ALA MB 1 8 THR MG 6.454 . 6.454 4.977 4.672 5.255 . 0 0 "[ . 1]" 1
28 1 7 ALA MB 1 10 ILE HB 4.550 . 4.550 4.140 3.353 4.779 0.229 1 0 "[ . 1]" 1
29 1 7 ALA MB 1 10 ILE MD 4.390 . 4.390 3.464 2.152 4.221 . 0 0 "[ . 1]" 1
30 1 7 ALA MB 1 10 ILE MG 5.040 . 5.040 4.782 4.017 5.346 0.306 5 0 "[ . 1]" 1
31 1 8 THR H 1 9 LYS H 4.413 . 4.413 2.690 2.570 2.888 . 0 0 "[ . 1]" 1
32 1 8 THR H 1 10 ILE H 6.467 . 6.467 4.399 4.188 4.584 . 0 0 "[ . 1]" 1
33 1 8 THR H 1 11 ARG H 5.620 . 5.620 5.026 4.589 5.673 0.053 5 0 "[ . 1]" 1
34 1 8 THR HA 1 12 LEU QD 6.636 . 6.636 4.291 3.860 5.308 . 0 0 "[ . 1]" 1
35 1 8 THR HB 1 12 LEU QD 6.831 . 6.831 4.048 3.727 5.001 . 0 0 "[ . 1]" 1
36 1 8 THR MG 1 9 LYS HA 6.857 . 6.857 3.750 3.574 3.905 . 0 0 "[ . 1]" 1
37 1 8 THR MG 1 9 LYS QB 6.441 . 6.441 4.680 4.479 4.857 . 0 0 "[ . 1]" 1
38 1 8 THR MG 1 10 ILE QG 7.000 . 7.000 6.384 5.553 7.281 0.281 6 0 "[ . 1]" 1
39 1 8 THR MG 1 11 ARG QB 5.220 . 5.220 3.418 3.146 3.832 . 0 0 "[ . 1]" 1
40 1 8 THR MG 1 11 ARG QG 5.790 . 5.790 4.666 4.336 5.127 . 0 0 "[ . 1]" 1
41 1 8 THR MG 1 12 LEU MD1 4.959 . 4.959 2.633 2.084 4.254 . 0 0 "[ . 1]" 1
42 1 8 THR MG 1 12 LEU QD 4.075 . 4.075 2.369 2.071 3.220 . 0 0 "[ . 1]" 1
43 1 8 THR MG 1 12 LEU MD2 4.959 . 4.959 3.339 2.275 3.712 . 0 0 "[ . 1]" 1
44 1 8 THR MG 1 72 ALA MB 5.160 . 5.160 5.324 5.077 5.590 0.430 3 0 "[ . 1]" 1
45 1 8 THR MG 1 73 ILE MD 6.190 . 6.190 5.848 5.038 6.262 0.072 5 0 "[ . 1]" 1
46 1 8 THR MG 1 76 GLU QB 4.470 . 4.470 3.929 2.673 4.639 0.169 3 0 "[ . 1]" 1
47 1 8 THR MG 1 80 LEU QD 5.210 . 5.210 4.377 3.682 5.202 . 0 0 "[ . 1]" 1
48 1 8 THR MG 1 92 MET ME 5.090 . 5.090 4.317 3.373 4.897 . 0 0 "[ . 1]" 1
49 1 9 LYS H 1 10 ILE H 4.153 . 4.153 2.710 2.614 2.805 . 0 0 "[ . 1]" 1
50 1 9 LYS H 1 11 ARG H 5.895 . 5.895 4.120 3.765 4.785 . 0 0 "[ . 1]" 1
51 1 9 LYS H 1 12 LEU H 5.390 . 5.390 4.843 4.471 5.157 . 0 0 "[ . 1]" 1
52 1 9 LYS HA 1 10 ILE QG 6.441 . 6.441 5.127 4.905 6.072 . 0 0 "[ . 1]" 1
53 1 9 LYS HA 1 12 LEU QD 4.960 . 4.960 2.654 2.347 3.097 . 0 0 "[ . 1]" 1
54 1 9 LYS QB 1 10 ILE QG 7.000 . 7.000 3.404 2.826 4.369 . 0 0 "[ . 1]" 1
55 1 9 LYS QB 1 12 LEU QD 4.430 . 4.430 4.191 3.915 4.631 0.201 5 0 "[ . 1]" 1
56 1 10 ILE H 1 11 ARG H 4.218 . 4.218 2.702 2.597 2.921 . 0 0 "[ . 1]" 1
57 1 10 ILE H 1 12 LEU H 6.324 . 6.324 4.219 3.869 4.381 . 0 0 "[ . 1]" 1
58 1 10 ILE MD 1 10 ILE MG 3.646 . 3.646 2.032 1.822 3.252 . 0 0 "[ . 1]" 1
59 1 10 ILE MG 1 11 ARG HA 5.284 . 5.284 3.669 3.172 5.452 0.168 1 0 "[ . 1]" 1
60 1 10 ILE MG 1 11 ARG QB 6.779 . 6.779 4.433 3.657 5.289 . 0 0 "[ . 1]" 1
61 1 10 ILE MG 1 14 ARG QB 6.337 . 6.337 3.674 2.791 6.076 . 0 0 "[ . 1]" 1
62 1 10 ILE MG 1 14 ARG HD2 6.727 . 6.727 4.095 2.430 6.674 . 0 0 "[ . 1]" 1
63 1 10 ILE MG 1 14 ARG HD3 6.727 . 6.727 4.185 2.629 5.427 . 0 0 "[ . 1]" 1
64 1 10 ILE MG 1 14 ARG HG2 6.194 . 6.194 4.528 2.902 6.133 . 0 0 "[ . 1]" 1
65 1 10 ILE MG 1 14 ARG QG 5.180 . 5.180 3.714 2.518 4.814 . 0 0 "[ . 1]" 1
66 1 10 ILE MG 1 14 ARG HG3 6.194 . 6.194 4.070 2.629 5.230 . 0 0 "[ . 1]" 1
67 1 11 ARG H 1 13 GLU H 6.103 . 6.103 4.106 3.928 4.418 . 0 0 "[ . 1]" 1
68 1 11 ARG H 1 14 ARG H 5.280 . 5.280 4.814 4.645 5.031 . 0 0 "[ . 1]" 1
69 1 11 ARG HA 1 14 ARG QG 4.560 . 4.560 4.098 2.352 4.775 0.215 2 0 "[ . 1]" 1
70 1 11 ARG QB 1 12 LEU QD 6.623 . 6.623 3.485 2.271 4.716 . 0 0 "[ . 1]" 1
71 1 11 ARG QB 1 72 ALA MB 6.260 . 6.260 5.553 4.073 6.157 . 0 0 "[ . 1]" 1
72 1 11 ARG QD 1 12 LEU QD 6.948 . 6.948 4.323 3.470 5.375 . 0 0 "[ . 1]" 1
73 1 11 ARG QD 1 72 ALA MB 6.080 . 6.080 5.166 4.584 6.039 . 0 0 "[ . 1]" 1
74 1 11 ARG QG 1 12 LEU QD 7.000 . 7.000 3.904 3.001 5.186 . 0 0 "[ . 1]" 1
75 1 11 ARG QG 1 72 ALA MB 5.690 . 5.690 5.160 4.285 6.025 0.335 10 0 "[ . 1]" 1
76 1 12 LEU H 1 13 GLU H 4.400 . 4.400 2.597 2.487 2.775 . 0 0 "[ . 1]" 1
77 1 12 LEU H 1 14 ARG H 6.064 . 6.064 4.252 3.902 4.467 . 0 0 "[ . 1]" 1
78 1 12 LEU HA 1 69 PHE QD 7.000 . 7.000 4.899 4.359 5.422 . 0 0 "[ . 1]" 1
79 1 12 LEU HA 1 72 ALA MB 4.840 . 4.840 4.656 4.328 4.932 0.092 8 0 "[ . 1]" 1
80 1 12 LEU HA 1 73 ILE MD 7.000 . 7.000 5.494 5.057 6.055 . 0 0 "[ . 1]" 1
81 1 12 LEU QB 1 72 ALA MB 5.360 . 5.360 5.198 4.254 5.524 0.164 2 0 "[ . 1]" 1
82 1 12 LEU QB 1 73 ILE MD 5.860 . 5.860 4.831 4.156 5.522 . 0 0 "[ . 1]" 1
83 1 12 LEU QD 1 13 GLU HA 5.843 . 5.843 5.024 4.204 5.183 . 0 0 "[ . 1]" 1
84 1 12 LEU QD 1 13 GLU QG 7.000 . 7.000 5.675 4.448 6.350 . 0 0 "[ . 1]" 1
85 1 12 LEU QD 1 69 PHE QD 5.850 . 5.850 4.244 3.674 4.774 . 0 0 "[ . 1]" 1
86 1 12 LEU QD 1 70 VAL HA 6.880 . 6.880 6.446 6.179 6.821 . 0 0 "[ . 1]" 1
87 1 12 LEU QD 1 72 ALA HA 5.700 . 5.700 4.908 4.370 5.174 . 0 0 "[ . 1]" 1
88 1 12 LEU QD 1 72 ALA MB 3.900 . 3.900 2.880 2.409 3.220 . 0 0 "[ . 1]" 1
89 1 12 LEU QD 1 73 ILE HA 4.970 . 4.970 4.097 3.863 4.376 . 0 0 "[ . 1]" 1
90 1 12 LEU QD 1 73 ILE MD 3.910 . 3.910 2.849 2.440 3.199 . 0 0 "[ . 1]" 1
91 1 12 LEU QD 1 73 ILE MG 6.000 . 6.000 4.744 4.302 5.337 . 0 0 "[ . 1]" 1
92 1 12 LEU QD 1 76 GLU QB 4.260 . 4.260 3.566 3.240 4.021 . 0 0 "[ . 1]" 1
93 1 12 LEU QD 1 92 MET HA 6.110 . 6.110 4.432 3.185 5.389 . 0 0 "[ . 1]" 1
94 1 12 LEU QD 1 92 MET ME 3.530 . 3.530 2.894 2.301 3.498 . 0 0 "[ . 1]" 1
95 1 12 LEU MD1 1 72 ALA MB 5.350 . 5.350 4.199 3.019 4.977 . 0 0 "[ . 1]" 1
96 1 12 LEU MD1 1 76 GLU QB 4.970 . 4.970 4.114 3.489 4.544 . 0 0 "[ . 1]" 1
97 1 12 LEU MD2 1 72 ALA MB 5.350 . 5.350 3.261 2.444 5.083 . 0 0 "[ . 1]" 1
98 1 12 LEU MD2 1 76 GLU QB 4.970 . 4.970 4.010 3.400 4.875 . 0 0 "[ . 1]" 1
99 1 13 GLU H 1 14 ARG H 4.218 . 4.218 2.678 2.457 2.819 . 0 0 "[ . 1]" 1
100 1 13 GLU HA 1 16 ALA MB 4.480 . 4.480 2.632 2.391 3.053 . 0 0 "[ . 1]" 1
101 1 14 ARG H 1 15 SER H 4.244 . 4.244 2.633 2.538 2.691 . 0 0 "[ . 1]" 1
102 1 14 ARG HA 1 14 ARG HD2 5.544 . 5.544 4.050 2.275 4.771 . 0 0 "[ . 1]" 1
103 1 14 ARG HA 1 14 ARG HD3 5.544 . 5.544 4.440 3.744 4.790 . 0 0 "[ . 1]" 1
104 1 14 ARG HA 1 17 LYS QB 5.570 . 5.570 2.889 2.526 3.411 . 0 0 "[ . 1]" 1
105 1 15 SER QB 1 16 ALA MB 6.467 . 6.467 4.065 3.769 4.723 . 0 0 "[ . 1]" 1
106 1 15 SER QB 1 69 PHE QD 5.290 . 5.290 3.555 2.550 5.057 . 0 0 "[ . 1]" 1
107 1 16 ALA H 1 17 LYS H 4.062 . 4.062 2.534 2.334 2.772 . 0 0 "[ . 1]" 1
108 1 16 ALA H 1 69 PHE QD 5.030 . 5.030 4.496 3.771 4.984 . 0 0 "[ . 1]" 1
109 1 16 ALA HA 1 19 ILE MD 4.780 . 4.780 2.252 2.088 3.478 . 0 0 "[ . 1]" 1
110 1 16 ALA HA 1 19 ILE MG 5.350 . 5.350 4.555 4.473 4.711 . 0 0 "[ . 1]" 1
111 1 16 ALA HA 1 69 PHE QD 5.980 . 5.980 3.302 3.062 3.508 . 0 0 "[ . 1]" 1
112 1 16 ALA HA 1 99 VAL QG 4.910 . 4.910 3.858 3.407 4.411 . 0 0 "[ . 1]" 1
113 1 16 ALA MB 1 17 LYS HA 6.623 . 6.623 3.799 3.742 3.838 . 0 0 "[ . 1]" 1
114 1 16 ALA MB 1 17 LYS QB 6.740 . 6.740 3.975 3.789 4.313 . 0 0 "[ . 1]" 1
115 1 16 ALA MB 1 19 ILE MD 4.900 . 4.900 3.044 2.584 4.524 . 0 0 "[ . 1]" 1
116 1 16 ALA MB 1 19 ILE MG 5.430 . 5.430 4.917 4.809 5.045 . 0 0 "[ . 1]" 1
117 1 16 ALA MB 1 69 PHE QB 5.880 . 5.880 4.940 3.849 5.640 . 0 0 "[ . 1]" 1
118 1 16 ALA MB 1 69 PHE QD 6.660 . 6.660 3.677 2.632 4.248 . 0 0 "[ . 1]" 1
119 1 16 ALA MB 1 99 VAL HA 5.790 . 5.790 5.525 4.684 5.903 0.113 1 0 "[ . 1]" 1
120 1 16 ALA MB 1 99 VAL QG 4.030 . 4.030 3.175 2.074 4.058 0.028 10 0 "[ . 1]" 1
121 1 17 LYS H 1 18 ASP H 4.582 . 4.582 2.692 2.585 2.855 . 0 0 "[ . 1]" 1
122 1 17 LYS HA 1 20 THR HB 6.380 . 6.380 5.632 5.484 5.849 . 0 0 "[ . 1]" 1
123 1 17 LYS HA 1 20 THR MG 5.020 . 5.020 3.931 3.461 4.285 . 0 0 "[ . 1]" 1
124 1 18 ASP H 1 19 ILE H 4.712 . 4.712 2.632 2.536 2.806 . 0 0 "[ . 1]" 1
125 1 18 ASP H 1 20 THR H 6.402 . 6.402 4.705 4.562 4.926 . 0 0 "[ . 1]" 1
126 1 18 ASP H 1 21 ASP H 5.300 . 5.300 4.896 4.817 4.973 . 0 0 "[ . 1]" 1
127 1 18 ASP HA 1 21 ASP HB2 5.160 . 5.160 2.988 2.323 3.612 . 0 0 "[ . 1]" 1
128 1 18 ASP HA 1 21 ASP HB3 5.160 . 5.160 3.019 2.368 4.066 . 0 0 "[ . 1]" 1
129 1 18 ASP HA 1 65 VAL QG 4.940 . 4.940 4.627 4.196 5.066 0.126 8 0 "[ . 1]" 1
130 1 18 ASP HB2 1 21 ASP QB 5.220 . 5.220 4.978 3.956 5.231 0.011 8 0 "[ . 1]" 1
131 1 18 ASP HB2 1 65 VAL MG1 4.700 . 4.700 3.910 3.342 4.965 0.265 1 0 "[ . 1]" 1
132 1 18 ASP HB2 1 65 VAL QG 4.060 . 4.060 3.500 3.043 3.940 . 0 0 "[ . 1]" 1
133 1 18 ASP HB2 1 65 VAL MG2 5.200 . 5.200 4.940 3.071 5.608 0.408 8 0 "[ . 1]" 1
134 1 18 ASP HB3 1 65 VAL QG 5.080 . 5.080 3.664 3.046 4.778 . 0 0 "[ . 1]" 1
135 1 19 ILE H 1 20 THR H 4.634 . 4.634 2.762 2.710 2.799 . 0 0 "[ . 1]" 1
136 1 19 ILE H 1 21 ASP H 6.311 . 6.311 3.947 3.831 4.068 . 0 0 "[ . 1]" 1
137 1 19 ILE HA 1 23 ILE MD 7.000 . 7.000 4.220 4.053 4.478 . 0 0 "[ . 1]" 1
138 1 19 ILE HA 1 65 VAL HB 6.280 . 6.280 3.456 2.384 4.510 . 0 0 "[ . 1]" 1
139 1 19 ILE HA 1 65 VAL MG1 4.490 . 4.490 2.273 2.071 3.218 . 0 0 "[ . 1]" 1
140 1 19 ILE HA 1 65 VAL QG 3.820 . 3.820 2.138 2.064 2.235 . 0 0 "[ . 1]" 1
141 1 19 ILE HA 1 65 VAL MG2 4.490 . 4.490 3.450 2.280 3.925 . 0 0 "[ . 1]" 1
142 1 19 ILE HA 1 99 VAL QG 6.330 . 6.330 5.112 4.824 5.807 . 0 0 "[ . 1]" 1
143 1 19 ILE HB 1 20 THR MG 5.063 . 5.063 2.819 2.709 2.956 . 0 0 "[ . 1]" 1
144 1 19 ILE HB 1 23 ILE MD 6.012 . 6.012 4.418 4.174 4.688 . 0 0 "[ . 1]" 1
145 1 19 ILE HB 1 23 ILE QG 7.000 . 7.000 5.414 5.324 5.523 . 0 0 "[ . 1]" 1
146 1 19 ILE HB 1 23 ILE MG 6.207 . 6.207 5.282 5.043 5.526 . 0 0 "[ . 1]" 1
147 1 19 ILE HB 1 99 VAL QG 4.810 . 4.810 3.263 3.009 3.562 . 0 0 "[ . 1]" 1
148 1 19 ILE HB 1 103 LEU QD 4.990 . 4.990 4.831 4.553 5.073 0.083 5 0 "[ . 1]" 1
149 1 19 ILE MD 1 23 ILE MG 6.974 . 6.974 5.502 4.500 5.885 . 0 0 "[ . 1]" 1
150 1 19 ILE MD 1 65 VAL HB 5.560 . 5.560 5.157 4.511 5.858 0.298 7 0 "[ . 1]" 1
151 1 19 ILE MD 1 65 VAL QG 4.830 . 4.830 3.505 2.024 4.024 . 0 0 "[ . 1]" 1
152 1 19 ILE MD 1 66 ALA HA 4.580 . 4.580 2.877 2.200 3.202 . 0 0 "[ . 1]" 1
153 1 19 ILE MD 1 66 ALA MB 3.850 . 3.850 3.613 2.877 3.954 0.104 2 0 "[ . 1]" 1
154 1 19 ILE MD 1 69 PHE HB2 5.130 . 5.130 2.278 2.109 2.394 . 0 0 "[ . 1]" 1
155 1 19 ILE MD 1 69 PHE HB3 5.130 . 5.130 3.039 2.677 3.337 . 0 0 "[ . 1]" 1
156 1 19 ILE MD 1 69 PHE QD 4.850 . 4.850 2.608 2.317 3.229 . 0 0 "[ . 1]" 1
157 1 19 ILE MD 1 99 VAL HB 5.290 . 5.290 3.662 2.576 5.335 0.045 1 0 "[ . 1]" 1
158 1 19 ILE MD 1 99 VAL QG 3.920 . 3.920 2.165 1.980 2.871 . 0 0 "[ . 1]" 1
159 1 19 ILE QG 1 65 VAL MG1 4.760 . 4.760 2.647 2.193 4.178 . 0 0 "[ . 1]" 1
160 1 19 ILE QG 1 65 VAL QG 4.110 . 4.110 2.416 1.996 3.368 . 0 0 "[ . 1]" 1
161 1 19 ILE QG 1 65 VAL MG2 4.760 . 4.760 4.200 2.187 4.795 0.035 3 0 "[ . 1]" 1
162 1 19 ILE QG 1 66 ALA HA 5.440 . 5.440 3.251 2.543 4.327 . 0 0 "[ . 1]" 1
163 1 19 ILE QG 1 99 VAL QG 5.440 . 5.440 3.646 2.891 3.916 . 0 0 "[ . 1]" 1
164 1 19 ILE MG 1 20 THR MG 4.907 . 4.907 3.085 2.791 3.338 . 0 0 "[ . 1]" 1
165 1 19 ILE MG 1 23 ILE MD 4.725 . 4.725 2.544 2.297 2.914 . 0 0 "[ . 1]" 1
166 1 19 ILE MG 1 23 ILE QG 5.531 . 5.531 3.942 3.819 4.109 . 0 0 "[ . 1]" 1
167 1 19 ILE MG 1 62 ALA MB 6.020 . 6.020 4.888 4.492 5.533 . 0 0 "[ . 1]" 1
168 1 19 ILE MG 1 65 VAL MG1 4.470 . 4.470 2.937 2.207 4.374 . 0 0 "[ . 1]" 1
169 1 19 ILE MG 1 65 VAL QG 3.680 . 3.680 2.687 2.186 3.014 . 0 0 "[ . 1]" 1
170 1 19 ILE MG 1 65 VAL MG2 4.470 . 4.470 3.993 2.229 4.486 0.016 2 0 "[ . 1]" 1
171 1 19 ILE MG 1 66 ALA HA 5.310 . 5.310 2.879 2.678 3.055 . 0 0 "[ . 1]" 1
172 1 19 ILE MG 1 66 ALA MB 4.840 . 4.840 2.755 2.354 2.895 . 0 0 "[ . 1]" 1
173 1 19 ILE MG 1 99 VAL QG 4.180 . 4.180 2.443 2.030 3.591 . 0 0 "[ . 1]" 1
174 1 19 ILE MG 1 102 PRO HB3 5.890 . 5.890 5.353 4.433 5.995 0.105 8 0 "[ . 1]" 1
175 1 19 ILE MG 1 103 LEU HA 5.590 . 5.590 5.587 5.107 5.759 0.169 8 0 "[ . 1]" 1
176 1 20 THR H 1 21 ASP H 4.686 . 4.686 2.508 2.468 2.558 . 0 0 "[ . 1]" 1
177 1 20 THR HA 1 23 ILE HB 5.010 . 5.010 4.941 4.885 5.018 0.008 8 0 "[ . 1]" 1
178 1 20 THR HA 1 23 ILE MD 4.640 . 4.640 2.215 2.169 2.285 . 0 0 "[ . 1]" 1
179 1 20 THR HA 1 23 ILE MG 4.940 . 4.940 3.829 3.670 3.898 . 0 0 "[ . 1]" 1
180 1 20 THR HA 1 65 VAL QG 6.040 . 6.040 5.387 4.773 5.698 . 0 0 "[ . 1]" 1
181 1 20 THR HA 1 66 ALA MB 6.370 . 6.370 6.708 6.661 6.818 0.448 5 0 "[ . 1]" 1
182 1 20 THR HA 1 103 LEU QD 4.610 . 4.610 4.598 4.365 4.737 0.127 3 0 "[ . 1]" 1
183 1 20 THR HB 1 23 ILE MD 5.380 . 5.380 3.841 3.773 3.903 . 0 0 "[ . 1]" 1
184 1 20 THR MG 1 23 ILE MD 4.100 . 4.100 2.919 2.852 2.994 . 0 0 "[ . 1]" 1
185 1 20 THR MG 1 99 VAL QG 4.480 . 4.480 3.377 3.030 3.822 . 0 0 "[ . 1]" 1
186 1 20 THR MG 1 102 PRO HB3 4.780 . 4.780 2.737 2.290 3.291 . 0 0 "[ . 1]" 1
187 1 20 THR MG 1 102 PRO QG 4.020 . 4.020 2.247 1.988 2.630 . 0 0 "[ . 1]" 1
188 1 20 THR MG 1 103 LEU QD 4.340 . 4.340 4.025 3.757 4.270 . 0 0 "[ . 1]" 1
189 1 21 ASP H 1 22 GLU H 4.556 . 4.556 2.701 2.649 2.784 . 0 0 "[ . 1]" 1
190 1 21 ASP H 1 23 ILE H 6.298 . 6.298 4.531 4.402 4.632 . 0 0 "[ . 1]" 1
191 1 22 GLU H 1 23 ILE H 4.621 . 4.621 2.690 2.662 2.704 . 0 0 "[ . 1]" 1
192 1 22 GLU H 1 25 ALA H 5.270 . 5.270 4.902 4.732 5.099 . 0 0 "[ . 1]" 1
193 1 22 GLU HA 1 23 ILE MG 6.441 . 6.441 4.870 4.852 4.921 . 0 0 "[ . 1]" 1
194 1 22 GLU HA 1 25 ALA MB 4.040 . 4.040 3.298 3.075 3.517 . 0 0 "[ . 1]" 1
195 1 22 GLU HA 1 65 VAL MG1 6.630 . 6.630 5.400 4.793 5.911 . 0 0 "[ . 1]" 1
196 1 22 GLU HA 1 65 VAL QG 5.730 . 5.730 4.639 4.327 5.140 . 0 0 "[ . 1]" 1
197 1 22 GLU HA 1 65 VAL MG2 6.630 . 6.630 5.150 4.575 6.232 . 0 0 "[ . 1]" 1
198 1 22 GLU QB 1 23 ILE MD 6.987 . 6.987 4.554 4.499 4.703 . 0 0 "[ . 1]" 1
199 1 22 GLU QB 1 23 ILE MG 6.545 . 6.545 2.921 2.820 2.984 . 0 0 "[ . 1]" 1
200 1 22 GLU QB 1 25 ALA MB 5.140 . 5.140 4.606 4.413 4.948 . 0 0 "[ . 1]" 1
201 1 22 GLU QB 1 65 VAL QG 3.820 . 3.820 2.348 2.110 2.678 . 0 0 "[ . 1]" 1
202 1 22 GLU HB2 1 65 VAL MG1 6.200 . 6.200 3.040 2.363 3.715 . 0 0 "[ . 1]" 1
203 1 22 GLU HB2 1 65 VAL MG2 6.200 . 6.200 3.042 2.559 4.059 . 0 0 "[ . 1]" 1
204 1 22 GLU HB3 1 65 VAL MG1 6.200 . 6.200 3.497 2.836 4.150 . 0 0 "[ . 1]" 1
205 1 22 GLU HB3 1 65 VAL MG2 6.200 . 6.200 3.057 2.372 4.185 . 0 0 "[ . 1]" 1
206 1 22 GLU QG 1 23 ILE MG 6.545 . 6.545 4.397 3.518 4.621 . 0 0 "[ . 1]" 1
207 1 22 GLU QG 1 25 ALA MB 6.370 . 6.370 4.876 3.973 5.380 . 0 0 "[ . 1]" 1
208 1 22 GLU QG 1 65 VAL QG 4.880 . 4.880 2.488 2.248 3.343 . 0 0 "[ . 1]" 1
209 1 23 ILE HA 1 26 ILE HA 6.000 . 6.000 5.490 5.332 5.710 . 0 0 "[ . 1]" 1
210 1 23 ILE HA 1 26 ILE HB 5.220 . 5.220 3.807 3.554 4.098 . 0 0 "[ . 1]" 1
211 1 23 ILE HA 1 26 ILE MD 4.620 . 4.620 2.395 2.105 4.381 . 0 0 "[ . 1]" 1
212 1 23 ILE HA 1 26 ILE MG 5.190 . 5.190 4.550 3.959 4.743 . 0 0 "[ . 1]" 1
213 1 23 ILE HA 1 106 LEU QD 5.710 . 5.710 4.226 3.883 4.757 . 0 0 "[ . 1]" 1
214 1 23 ILE MD 1 27 LYS QG 6.896 . 6.896 5.810 5.239 6.579 . 0 0 "[ . 1]" 1
215 1 23 ILE MD 1 62 ALA HA 6.360 . 6.360 4.074 3.817 4.566 . 0 0 "[ . 1]" 1
216 1 23 ILE MD 1 62 ALA MB 3.790 . 3.790 3.374 3.237 3.609 . 0 0 "[ . 1]" 1
217 1 23 ILE MD 1 63 THR MG 6.810 . 6.810 6.332 5.695 6.949 0.139 8 0 "[ . 1]" 1
218 1 23 ILE MD 1 65 VAL MG1 4.810 . 4.810 4.756 3.911 5.138 0.328 9 0 "[ . 1]" 1
219 1 23 ILE MD 1 65 VAL QG 4.230 . 4.230 4.263 3.438 4.537 0.307 4 0 "[ . 1]" 1
220 1 23 ILE MD 1 65 VAL MG2 5.400 . 5.400 5.093 3.492 5.760 0.360 7 0 "[ . 1]" 1
221 1 23 ILE MD 1 102 PRO HB2 4.640 . 4.640 2.729 2.351 3.202 . 0 0 "[ . 1]" 1
222 1 23 ILE MD 1 102 PRO HB3 4.360 . 4.360 3.512 2.322 4.313 . 0 0 "[ . 1]" 1
223 1 23 ILE MD 1 102 PRO QG 4.860 . 4.860 3.747 3.213 4.468 . 0 0 "[ . 1]" 1
224 1 23 ILE MD 1 103 LEU HA 4.790 . 4.790 3.574 3.398 3.833 . 0 0 "[ . 1]" 1
225 1 23 ILE MD 1 103 LEU QD 3.780 . 3.780 2.355 2.162 2.602 . 0 0 "[ . 1]" 1
226 1 23 ILE MD 1 106 LEU QB 6.000 . 6.000 4.129 3.207 5.192 . 0 0 "[ . 1]" 1
227 1 23 ILE MD 1 106 LEU QD 4.450 . 4.450 2.663 2.074 3.562 . 0 0 "[ . 1]" 1
228 1 23 ILE QG 1 103 LEU QD 4.420 . 4.420 4.202 3.912 4.433 0.013 9 0 "[ . 1]" 1
229 1 23 ILE MG 1 37 PHE HZ 6.840 . 6.840 6.840 6.499 7.202 0.362 3 0 "[ . 1]" 1
230 1 23 ILE MG 1 59 LYS HA 6.300 . 6.300 5.807 5.330 6.322 0.022 3 0 "[ . 1]" 1
231 1 23 ILE MG 1 62 ALA MB 4.460 . 4.460 2.518 2.260 2.799 . 0 0 "[ . 1]" 1
232 1 23 ILE MG 1 64 THR HB 5.000 . 5.000 5.381 5.284 5.479 0.479 6 0 "[ . 1]" 1
233 1 23 ILE MG 1 65 VAL MG1 4.880 . 4.880 3.624 2.373 4.117 . 0 0 "[ . 1]" 1
234 1 23 ILE MG 1 65 VAL QG 4.210 . 4.210 2.976 2.321 3.287 . 0 0 "[ . 1]" 1
235 1 23 ILE MG 1 65 VAL MG2 4.880 . 4.880 3.486 2.353 4.900 0.020 7 0 "[ . 1]" 1
236 1 23 ILE MG 1 66 ALA MB 4.280 . 4.280 4.198 3.857 4.392 0.112 9 0 "[ . 1]" 1
237 1 23 ILE MG 1 103 LEU MD1 5.000 . 5.000 4.144 2.883 5.194 0.194 6 0 "[ . 1]" 1
238 1 23 ILE MG 1 103 LEU QD 4.120 . 4.120 3.226 2.726 3.534 . 0 0 "[ . 1]" 1
239 1 23 ILE MG 1 103 LEU MD2 5.000 . 5.000 3.833 3.142 5.073 0.073 9 0 "[ . 1]" 1
240 1 23 ILE MG 1 106 LEU QD 4.360 . 4.360 3.170 2.737 3.659 . 0 0 "[ . 1]" 1
241 1 24 ASP H 1 25 ALA H 4.374 . 4.374 2.626 2.522 2.675 . 0 0 "[ . 1]" 1
242 1 24 ASP H 1 26 ILE H 6.311 . 6.311 4.069 3.987 4.227 . 0 0 "[ . 1]" 1
243 1 24 ASP HB2 1 25 ALA MB 6.844 . 6.844 4.990 4.298 5.473 . 0 0 "[ . 1]" 1
244 1 24 ASP HB3 1 25 ALA MB 6.844 . 6.844 4.375 4.077 4.913 . 0 0 "[ . 1]" 1
245 1 25 ALA H 1 26 ILE H 4.322 . 4.322 2.705 2.572 2.756 . 0 0 "[ . 1]" 1
246 1 25 ALA MB 1 26 ILE HA 6.922 . 6.922 3.858 3.823 3.892 . 0 0 "[ . 1]" 1
247 1 25 ALA MB 1 26 ILE HB 6.103 . 6.103 4.865 4.383 5.006 . 0 0 "[ . 1]" 1
248 1 25 ALA MB 1 26 ILE MG 6.519 . 6.519 4.943 4.541 5.083 . 0 0 "[ . 1]" 1
249 1 26 ILE H 1 27 LYS H 4.777 . 4.777 2.721 2.609 2.858 . 0 0 "[ . 1]" 1
250 1 26 ILE HA 1 29 ASP HB2 5.610 . 5.610 3.425 2.411 4.887 . 0 0 "[ . 1]" 1
251 1 26 ILE HA 1 29 ASP QB 4.830 . 4.830 2.967 2.392 4.295 . 0 0 "[ . 1]" 1
252 1 26 ILE HA 1 29 ASP HB3 5.610 . 5.610 3.734 2.689 4.918 . 0 0 "[ . 1]" 1
253 1 26 ILE HB 1 106 LEU QD 6.550 . 6.550 4.047 3.576 4.578 . 0 0 "[ . 1]" 1
254 1 26 ILE MD 1 27 LYS HA 6.428 . 6.428 5.653 5.030 5.763 . 0 0 "[ . 1]" 1
255 1 26 ILE MD 1 27 LYS QB 5.869 . 5.869 5.752 5.366 5.939 0.070 8 0 "[ . 1]" 1
256 1 26 ILE MD 1 27 LYS QG 5.505 . 5.505 4.597 4.344 5.148 . 0 0 "[ . 1]" 1
257 1 26 ILE MD 1 37 PHE QE 6.910 . 6.910 4.473 2.429 5.724 . 0 0 "[ . 1]" 1
258 1 26 ILE MD 1 58 ALA HA 5.220 . 5.220 3.216 2.639 4.148 . 0 0 "[ . 1]" 1
259 1 26 ILE MD 1 58 ALA MB 4.400 . 4.400 2.449 1.933 2.776 . 0 0 "[ . 1]" 1
260 1 26 ILE MD 1 62 ALA HA 6.190 . 6.190 4.094 2.863 5.968 . 0 0 "[ . 1]" 1
261 1 26 ILE MD 1 62 ALA MB 4.570 . 4.570 3.507 2.453 4.620 0.050 8 0 "[ . 1]" 1
262 1 26 ILE MD 1 106 LEU MD1 4.830 . 4.830 3.391 2.589 4.471 . 0 0 "[ . 1]" 1
263 1 26 ILE MD 1 106 LEU QD 4.210 . 4.210 2.981 2.500 3.368 . 0 0 "[ . 1]" 1
264 1 26 ILE MD 1 106 LEU MD2 4.830 . 4.830 3.718 3.004 4.758 . 0 0 "[ . 1]" 1
265 1 26 ILE MD 1 106 LEU HG 5.730 . 5.730 4.984 3.897 5.775 0.045 3 0 "[ . 1]" 1
266 1 26 ILE MG 1 27 LYS HA 6.116 . 6.116 3.464 2.943 3.655 . 0 0 "[ . 1]" 1
267 1 26 ILE MG 1 27 LYS HG2 5.258 . 5.258 4.334 3.333 4.868 . 0 0 "[ . 1]" 1
268 1 26 ILE MG 1 27 LYS QG 4.504 . 4.504 3.799 2.257 4.545 0.041 6 0 "[ . 1]" 1
269 1 26 ILE MG 1 27 LYS HG3 5.258 . 5.258 4.373 2.295 5.467 0.209 7 0 "[ . 1]" 1
270 1 26 ILE MG 1 30 ALA MB 6.337 . 6.337 3.332 2.880 3.781 . 0 0 "[ . 1]" 1
271 1 26 ILE MG 1 37 PHE QE 4.880 . 4.880 3.047 2.217 4.373 . 0 0 "[ . 1]" 1
272 1 26 ILE MG 1 37 PHE HZ 5.270 . 5.270 4.087 2.772 4.968 . 0 0 "[ . 1]" 1
273 1 26 ILE MG 1 58 ALA HA 5.640 . 5.640 3.845 3.226 5.413 . 0 0 "[ . 1]" 1
274 1 26 ILE MG 1 58 ALA MB 4.050 . 4.050 2.335 2.030 3.748 . 0 0 "[ . 1]" 1
275 1 26 ILE MG 1 62 ALA MB 5.170 . 5.170 5.135 4.277 5.553 0.383 9 0 "[ . 1]" 1
276 1 26 ILE MG 1 106 LEU QD 4.240 . 4.240 3.569 2.553 3.937 . 0 0 "[ . 1]" 1
277 1 27 LYS H 1 28 LYS H 4.842 . 4.842 2.718 2.594 2.807 . 0 0 "[ . 1]" 1
278 1 27 LYS H 1 29 ASP H 6.740 . 6.740 4.281 4.109 4.538 . 0 0 "[ . 1]" 1
279 1 27 LYS HA 1 30 ALA MB 4.250 . 4.250 2.639 2.303 3.066 . 0 0 "[ . 1]" 1
280 1 28 LYS H 1 29 ASP H 4.621 . 4.621 2.661 2.606 2.780 . 0 0 "[ . 1]" 1
281 1 29 ASP H 1 30 ALA H 4.673 . 4.673 2.628 2.454 2.713 . 0 0 "[ . 1]" 1
282 1 29 ASP H 1 31 ALA H 6.363 . 6.363 4.065 3.927 4.256 . 0 0 "[ . 1]" 1
283 1 29 ASP HA 1 32 LEU HB2 5.250 . 5.250 3.930 3.575 4.297 . 0 0 "[ . 1]" 1
284 1 29 ASP HA 1 32 LEU QB 4.520 . 4.520 3.809 3.480 4.119 . 0 0 "[ . 1]" 1
285 1 29 ASP HA 1 32 LEU HB3 5.250 . 5.250 5.156 4.778 5.480 0.230 3 0 "[ . 1]" 1
286 1 29 ASP HA 1 32 LEU MD1 5.110 . 5.110 2.582 2.253 4.543 . 0 0 "[ . 1]" 1
287 1 29 ASP HA 1 32 LEU QD 3.960 . 3.960 2.306 2.144 2.526 . 0 0 "[ . 1]" 1
288 1 29 ASP HA 1 32 LEU MD2 5.110 . 5.110 3.435 2.148 4.000 . 0 0 "[ . 1]" 1
289 1 29 ASP HA 1 32 LEU HG 5.630 . 5.630 3.419 2.461 5.185 . 0 0 "[ . 1]" 1
290 1 29 ASP QB 1 32 LEU QD 4.830 . 4.830 3.460 2.736 3.858 . 0 0 "[ . 1]" 1
291 1 29 ASP HB2 1 54 PHE QE 5.590 . 5.590 5.000 4.050 5.661 0.071 7 0 "[ . 1]" 1
292 1 29 ASP HB3 1 54 PHE QE 5.590 . 5.590 4.439 3.714 5.598 0.008 5 0 "[ . 1]" 1
293 1 30 ALA H 1 31 ALA H 4.712 . 4.712 2.625 2.486 2.753 . 0 0 "[ . 1]" 1
294 1 30 ALA H 1 32 LEU H 6.519 . 6.519 4.287 4.064 4.486 . 0 0 "[ . 1]" 1
295 1 30 ALA HA 1 35 VAL HB 5.780 . 5.780 4.905 3.527 5.885 0.105 8 0 "[ . 1]" 1
296 1 30 ALA HA 1 35 VAL MG1 5.670 . 5.670 4.729 3.078 5.737 0.067 6 0 "[ . 1]" 1
297 1 30 ALA HA 1 35 VAL QG 4.460 . 4.460 3.575 2.511 4.686 0.226 6 0 "[ . 1]" 1
298 1 30 ALA HA 1 35 VAL MG2 5.670 . 5.670 4.114 2.531 5.316 . 0 0 "[ . 1]" 1
299 1 30 ALA MB 1 35 VAL MG1 4.790 . 4.790 3.810 2.134 4.908 0.118 4 0 "[ . 1]" 1
300 1 30 ALA MB 1 35 VAL QG 3.940 . 3.940 3.071 2.084 4.037 0.097 6 0 "[ . 1]" 1
301 1 30 ALA MB 1 35 VAL MG2 4.790 . 4.790 3.650 2.225 4.659 . 0 0 "[ . 1]" 1
302 1 30 ALA MB 1 37 PHE HA 5.310 . 5.310 4.633 3.306 5.324 0.014 3 0 "[ . 1]" 1
303 1 30 ALA MB 1 37 PHE QB 5.430 . 5.430 3.434 2.551 5.460 0.030 2 0 "[ . 1]" 1
304 1 30 ALA MB 1 37 PHE QD 4.670 . 4.670 3.132 2.349 3.968 . 0 0 "[ . 1]" 1
305 1 30 ALA MB 1 37 PHE QE 4.600 . 4.600 3.934 3.536 4.338 . 0 0 "[ . 1]" 1
306 1 30 ALA MB 1 37 PHE HZ 5.420 . 5.420 5.515 5.434 5.607 0.187 6 0 "[ . 1]" 1
307 1 30 ALA MB 1 54 PHE QD 5.050 . 5.050 3.872 3.357 4.240 . 0 0 "[ . 1]" 1
308 1 30 ALA MB 1 54 PHE QE 4.420 . 4.420 2.602 2.178 4.462 0.042 3 0 "[ . 1]" 1
309 1 30 ALA MB 1 58 ALA MB 5.000 . 5.000 5.049 4.629 5.253 0.253 2 0 "[ . 1]" 1
310 1 31 ALA MB 1 32 LEU HA 6.753 . 6.753 3.807 3.745 3.869 . 0 0 "[ . 1]" 1
311 1 31 ALA MB 1 32 LEU QB 5.089 . 5.089 4.448 4.289 4.623 . 0 0 "[ . 1]" 1
312 1 31 ALA MB 1 32 LEU MD1 6.545 . 6.545 3.950 2.363 4.783 . 0 0 "[ . 1]" 1
313 1 31 ALA MB 1 32 LEU QD 5.544 . 5.544 2.923 2.357 3.567 . 0 0 "[ . 1]" 1
314 1 31 ALA MB 1 32 LEU MD2 6.545 . 6.545 3.667 2.877 4.800 . 0 0 "[ . 1]" 1
315 1 31 ALA MB 1 32 LEU HG 6.207 . 6.207 3.990 3.265 5.464 . 0 0 "[ . 1]" 1
316 1 32 LEU HA 1 32 LEU QD 3.763 . 3.763 2.203 1.980 2.461 . 0 0 "[ . 1]" 1
317 1 32 LEU HA 1 33 LYS QB 6.701 . 6.701 5.243 4.292 5.529 . 0 0 "[ . 1]" 1
318 1 32 LEU QB 1 33 LYS QD 3.971 . 3.971 3.941 3.471 4.295 0.324 3 0 "[ . 1]" 1
319 1 32 LEU QB 1 33 LYS QG 6.571 . 6.571 2.672 2.386 3.367 . 0 0 "[ . 1]" 1
320 1 32 LEU QD 1 33 LYS QD 5.089 . 5.089 4.602 3.356 5.027 . 0 0 "[ . 1]" 1
321 1 32 LEU HG 1 33 LYS QD 6.896 . 6.896 6.364 5.937 6.863 . 0 0 "[ . 1]" 1
322 1 32 LEU HG 1 33 LYS QG 6.558 . 6.558 5.093 4.827 5.584 . 0 0 "[ . 1]" 1
323 1 34 GLY H 1 35 VAL H 4.036 . 4.036 3.679 2.289 4.277 0.241 1 0 "[ . 1]" 1
324 1 35 VAL QG 1 37 PHE HA 5.882 . 5.882 3.898 2.840 5.483 . 0 0 "[ . 1]" 1
325 1 35 VAL QG 1 37 PHE QD 5.739 . 5.739 4.313 2.634 5.507 . 0 0 "[ . 1]" 1
326 1 35 VAL QG 1 37 PHE QE 7.000 . 7.000 5.698 4.299 6.698 . 0 0 "[ . 1]" 1
327 1 35 VAL QG 1 52 ASN QB 4.740 . 4.740 3.248 2.294 4.110 . 0 0 "[ . 1]" 1
328 1 35 VAL QG 1 54 PHE HA 5.630 . 5.630 5.089 4.493 5.728 0.098 9 0 "[ . 1]" 1
329 1 35 VAL QG 1 54 PHE QB 4.820 . 4.820 2.835 2.142 3.430 . 0 0 "[ . 1]" 1
330 1 35 VAL QG 1 54 PHE QD 4.260 . 4.260 3.208 2.612 3.897 . 0 0 "[ . 1]" 1
331 1 35 VAL QG 1 54 PHE QE 5.140 . 5.140 3.819 2.693 4.916 . 0 0 "[ . 1]" 1
332 1 35 VAL MG1 1 37 PHE QD 7.000 . 7.000 4.978 2.649 6.796 . 0 0 "[ . 1]" 1
333 1 35 VAL MG2 1 37 PHE QD 7.000 . 7.000 5.312 3.665 6.788 . 0 0 "[ . 1]" 1
334 1 36 ASN QB 1 39 ALA MB 4.370 . 4.370 3.064 2.177 4.511 0.141 2 0 "[ . 1]" 1
335 1 36 ASN HB2 1 39 ALA MB 5.010 . 5.010 3.575 2.208 5.203 0.193 2 0 "[ . 1]" 1
336 1 36 ASN HB2 1 55 ILE MD 5.570 . 5.570 4.512 2.526 5.823 0.253 2 0 "[ . 1]" 1
337 1 36 ASN HB3 1 39 ALA MB 5.010 . 5.010 3.634 2.256 4.947 . 0 0 "[ . 1]" 1
338 1 36 ASN HB3 1 55 ILE MD 5.570 . 5.570 5.044 3.330 5.989 0.419 2 0 "[ . 1]" 1
339 1 37 PHE H 1 38 ASP H 6.090 . 6.090 3.054 2.248 4.585 . 0 0 "[ . 1]" 1
340 1 37 PHE HA 1 55 ILE MD 5.500 . 5.500 2.562 2.115 2.896 . 0 0 "[ . 1]" 1
341 1 37 PHE HA 1 55 ILE MG 4.740 . 4.740 4.401 3.393 4.875 0.135 8 0 "[ . 1]" 1
342 1 37 PHE QD 1 55 ILE MD 5.190 . 5.190 3.807 2.328 4.461 . 0 0 "[ . 1]" 1
343 1 37 PHE QD 1 55 ILE MG 7.000 . 7.000 4.780 3.408 6.079 . 0 0 "[ . 1]" 1
344 1 37 PHE QD 1 106 LEU QD 5.890 . 5.890 4.609 4.389 4.833 . 0 0 "[ . 1]" 1
345 1 37 PHE QE 1 55 ILE HA 6.110 . 6.110 4.435 3.618 5.426 . 0 0 "[ . 1]" 1
346 1 37 PHE QE 1 55 ILE MD 6.490 . 6.490 4.663 3.286 5.408 . 0 0 "[ . 1]" 1
347 1 37 PHE QE 1 55 ILE QG 5.960 . 5.960 3.882 3.255 5.032 . 0 0 "[ . 1]" 1
348 1 37 PHE QE 1 58 ALA MB 4.820 . 4.820 3.674 3.050 4.783 . 0 0 "[ . 1]" 1
349 1 37 PHE QE 1 106 LEU MD1 5.220 . 5.220 4.306 3.314 5.235 0.015 6 0 "[ . 1]" 1
350 1 37 PHE QE 1 106 LEU QD 4.600 . 4.600 3.101 2.432 3.404 . 0 0 "[ . 1]" 1
351 1 37 PHE QE 1 106 LEU MD2 5.220 . 5.220 3.277 2.439 3.595 . 0 0 "[ . 1]" 1
352 1 37 PHE HZ 1 55 ILE MD 6.890 . 6.890 5.836 4.610 6.954 0.064 4 0 "[ . 1]" 1
353 1 37 PHE HZ 1 58 ALA MB 5.140 . 5.140 4.655 4.220 5.213 0.073 5 0 "[ . 1]" 1
354 1 37 PHE HZ 1 106 LEU H 6.020 . 6.020 5.999 5.518 6.128 0.108 2 0 "[ . 1]" 1
355 1 37 PHE HZ 1 106 LEU MD1 5.680 . 5.680 3.626 2.315 4.581 . 0 0 "[ . 1]" 1
356 1 37 PHE HZ 1 106 LEU QD 4.980 . 4.980 2.528 2.097 3.146 . 0 0 "[ . 1]" 1
357 1 37 PHE HZ 1 106 LEU MD2 5.680 . 5.680 2.764 2.102 3.554 . 0 0 "[ . 1]" 1
358 1 38 ASP H 1 39 ALA H 4.764 . 4.764 3.598 2.269 4.496 . 0 0 "[ . 1]" 1
359 1 39 ALA MB 1 40 PHE QD 6.480 . 6.480 4.544 3.827 5.222 . 0 0 "[ . 1]" 1
360 1 39 ALA MB 1 55 ILE MD 4.110 . 4.110 3.522 2.631 4.606 0.496 2 0 "[ . 1]" 1
361 1 39 ALA MB 1 55 ILE MG 5.740 . 5.740 4.934 3.822 6.231 0.491 2 0 "[ . 1]" 1
362 1 40 PHE H 1 40 PHE QD 5.661 . 5.661 3.231 2.317 4.189 . 0 0 "[ . 1]" 1
363 1 40 PHE HA 1 55 ILE MD 5.170 . 5.170 4.967 4.415 5.490 0.320 2 0 "[ . 1]" 1
364 1 40 PHE HA 1 55 ILE MG 6.750 . 6.750 5.395 4.407 6.404 . 0 0 "[ . 1]" 1
365 1 40 PHE QD 1 44 LYS HA 6.909 . 6.909 6.195 5.154 7.061 0.152 7 0 "[ . 1]" 1
366 1 40 PHE QD 1 44 LYS QE 6.558 . 6.558 2.976 2.364 5.687 . 0 0 "[ . 1]" 1
367 1 40 PHE QD 1 55 ILE MD 5.650 . 5.650 4.065 2.860 4.784 . 0 0 "[ . 1]" 1
368 1 40 PHE QD 1 55 ILE MG 7.000 . 7.000 4.205 2.647 5.591 . 0 0 "[ . 1]" 1
369 1 40 PHE QE 1 55 ILE MD 4.620 . 4.620 3.502 2.373 4.758 0.138 5 0 "[ . 1]" 1
370 1 40 PHE QE 1 55 ILE QG 6.740 . 6.740 4.147 2.364 5.600 . 0 0 "[ . 1]" 1
371 1 40 PHE QE 1 55 ILE MG 5.300 . 5.300 3.033 2.162 4.846 . 0 0 "[ . 1]" 1
372 1 40 PHE HZ 1 44 LYS QE 7.000 . 7.000 5.339 3.993 6.954 . 0 0 "[ . 1]" 1
373 1 40 PHE HZ 1 55 ILE MD 6.670 . 6.670 3.875 2.637 5.992 . 0 0 "[ . 1]" 1
374 1 40 PHE HZ 1 56 LEU QD 6.570 . 6.570 4.692 2.287 6.332 . 0 0 "[ . 1]" 1
375 1 40 PHE HZ 1 58 ALA MB 6.250 . 6.250 5.631 5.170 6.118 . 0 0 "[ . 1]" 1
376 1 41 LYS H 1 42 ASP H 5.232 . 5.232 3.404 2.290 4.565 . 0 0 "[ . 1]" 1
377 1 42 ASP H 1 43 LYS H 5.804 . 5.804 3.257 1.609 4.607 0.191 2 0 "[ . 1]" 1
378 1 44 LYS QB 1 56 LEU QD 3.980 . 3.980 3.566 2.871 4.101 0.121 2 0 "[ . 1]" 1
379 1 44 LYS QD 1 51 GLU QB 4.520 . 4.520 3.865 2.653 4.568 0.048 8 0 "[ . 1]" 1
380 1 44 LYS QD 1 51 GLU QG 5.440 . 5.440 3.391 2.259 4.619 . 0 0 "[ . 1]" 1
381 1 44 LYS QD 1 55 ILE MG 4.860 . 4.860 4.410 3.356 4.875 0.015 4 0 "[ . 1]" 1
382 1 44 LYS QD 1 56 LEU QD 4.320 . 4.320 2.660 2.167 3.694 . 0 0 "[ . 1]" 1
383 1 44 LYS QE 1 51 GLU QB 6.130 . 6.130 4.418 2.365 5.839 . 0 0 "[ . 1]" 1
384 1 44 LYS QE 1 51 GLU QG 4.320 . 4.320 3.750 2.166 4.365 0.045 10 0 "[ . 1]" 1
385 1 44 LYS QE 1 55 ILE MD 5.610 . 5.610 4.480 3.586 5.574 . 0 0 "[ . 1]" 1
386 1 44 LYS QE 1 55 ILE MG 4.760 . 4.760 3.980 2.594 4.985 0.225 2 0 "[ . 1]" 1
387 1 44 LYS QE 1 56 LEU QD 5.020 . 5.020 3.354 2.362 3.930 . 0 0 "[ . 1]" 1
388 1 44 LYS QG 1 51 GLU QB 6.320 . 6.320 4.375 2.774 6.038 . 0 0 "[ . 1]" 1
389 1 44 LYS QG 1 51 GLU QG 5.310 . 5.310 3.873 2.306 5.361 0.051 10 0 "[ . 1]" 1
390 1 48 GLY QA 1 49 VAL QG 7.000 . 7.000 3.425 2.849 3.995 . 0 0 "[ . 1]" 1
391 1 48 GLY QA 1 57 GLU QG 4.530 . 4.530 4.652 3.987 4.918 0.388 7 0 "[ . 1]" 1
392 1 48 GLY QA 1 152 LEU QB 5.460 . 5.460 5.310 4.406 5.576 0.116 1 0 "[ . 1]" 1
393 1 49 VAL QG 1 50 SER QB 5.570 . 5.570 3.425 2.291 4.324 . 0 0 "[ . 1]" 1
394 1 50 SER QB 1 56 LEU QD 5.850 . 5.850 4.528 1.918 6.009 0.159 1 0 "[ . 1]" 1
395 1 51 GLU HA 1 56 LEU MD1 5.950 . 5.950 5.330 4.485 6.279 0.329 6 0 "[ . 1]" 1
396 1 51 GLU HA 1 56 LEU QD 5.000 . 5.000 4.735 4.164 5.453 0.453 6 0 "[ . 1]" 1
397 1 51 GLU HA 1 56 LEU MD2 5.950 . 5.950 5.514 4.233 6.237 0.287 8 0 "[ . 1]" 1
398 1 51 GLU QB 1 55 ILE MG 6.155 . 6.155 4.866 2.505 6.179 0.024 1 0 "[ . 1]" 1
399 1 51 GLU QB 1 56 LEU QD 4.190 . 4.190 2.748 2.296 3.974 . 0 0 "[ . 1]" 1
400 1 51 GLU QG 1 55 ILE MG 5.687 . 5.687 4.784 3.328 6.110 0.423 6 0 "[ . 1]" 1
401 1 51 GLU QG 1 56 LEU QD 5.030 . 5.030 3.189 2.029 4.375 . 0 0 "[ . 1]" 1
402 1 52 ASN HA 1 53 PRO QG 5.778 . 5.778 3.991 3.934 4.072 . 0 0 "[ . 1]" 1
403 1 52 ASN QB 1 54 PHE QB 5.596 . 5.596 2.846 2.525 3.408 . 0 0 "[ . 1]" 1
404 1 53 PRO HA 1 56 LEU QD 4.700 . 4.700 2.726 2.309 3.212 . 0 0 "[ . 1]" 1
405 1 53 PRO HA 1 57 GLU QB 6.662 . 6.662 4.744 4.323 5.218 . 0 0 "[ . 1]" 1
406 1 53 PRO HA 1 57 GLU QG 6.844 . 6.844 3.432 2.744 3.972 . 0 0 "[ . 1]" 1
407 1 53 PRO HA 1 152 LEU QD 5.150 . 5.150 4.325 4.023 4.626 . 0 0 "[ . 1]" 1
408 1 53 PRO QB 1 56 LEU MD1 6.390 . 6.390 4.716 3.458 5.564 . 0 0 "[ . 1]" 1
409 1 53 PRO QB 1 56 LEU QD 5.050 . 5.050 3.921 3.425 4.237 . 0 0 "[ . 1]" 1
410 1 53 PRO QB 1 56 LEU MD2 6.390 . 6.390 4.674 3.666 6.059 . 0 0 "[ . 1]" 1
411 1 53 PRO QB 1 57 GLU QB 5.206 . 5.206 4.076 3.803 4.482 . 0 0 "[ . 1]" 1
412 1 53 PRO QB 1 152 LEU QB 6.070 . 6.070 6.061 5.772 6.369 0.299 10 0 "[ . 1]" 1
413 1 53 PRO QB 1 152 LEU MD1 4.700 . 4.700 4.217 3.187 4.970 0.270 6 0 "[ . 1]" 1
414 1 53 PRO QB 1 152 LEU QD 4.140 . 4.140 3.353 2.859 3.732 . 0 0 "[ . 1]" 1
415 1 53 PRO QB 1 152 LEU MD2 4.700 . 4.700 3.898 2.902 4.779 0.079 9 0 "[ . 1]" 1
416 1 53 PRO QD 1 56 LEU QD 4.510 . 4.510 4.277 3.494 4.522 0.012 2 0 "[ . 1]" 1
417 1 53 PRO QD 1 152 LEU QD 6.180 . 6.180 5.600 5.238 5.853 . 0 0 "[ . 1]" 1
418 1 53 PRO QG 1 152 LEU QD 5.140 . 5.140 4.543 3.764 5.090 . 0 0 "[ . 1]" 1
419 1 54 PHE H 1 55 ILE H 4.400 . 4.400 2.679 2.556 2.792 . 0 0 "[ . 1]" 1
420 1 54 PHE H 1 56 LEU H 5.921 . 5.921 3.821 3.552 4.304 . 0 0 "[ . 1]" 1
421 1 54 PHE HA 1 57 GLU HB2 5.450 . 5.450 3.271 2.869 3.753 . 0 0 "[ . 1]" 1
422 1 54 PHE HA 1 57 GLU QB 4.770 . 4.770 3.225 2.838 3.689 . 0 0 "[ . 1]" 1
423 1 54 PHE HA 1 57 GLU HB3 5.450 . 5.450 4.914 4.496 5.438 . 0 0 "[ . 1]" 1
424 1 54 PHE QB 1 55 ILE MG 5.154 . 5.154 4.458 3.508 5.117 . 0 0 "[ . 1]" 1
425 1 54 PHE QB 1 58 ALA MB 6.662 . 6.662 4.845 4.112 5.648 . 0 0 "[ . 1]" 1
426 1 54 PHE QD 1 55 ILE HA 7.000 . 7.000 3.348 2.910 5.655 . 0 0 "[ . 1]" 1
427 1 54 PHE QE 1 58 ALA MB 6.506 . 6.506 4.268 3.316 6.467 . 0 0 "[ . 1]" 1
428 1 55 ILE H 1 56 LEU H 4.712 . 4.712 2.542 2.430 2.745 . 0 0 "[ . 1]" 1
429 1 55 ILE HA 1 58 ALA MB 4.620 . 4.620 2.444 2.284 2.911 . 0 0 "[ . 1]" 1
430 1 55 ILE MD 1 56 LEU HA 6.155 . 6.155 5.527 5.102 5.924 . 0 0 "[ . 1]" 1
431 1 55 ILE MD 1 58 ALA MB 4.890 . 4.890 4.961 4.659 5.246 0.356 4 0 "[ . 1]" 1
432 1 55 ILE MG 1 56 LEU H 6.194 . 6.194 3.031 2.261 3.779 . 0 0 "[ . 1]" 1
433 1 55 ILE MG 1 56 LEU QD 4.920 . 4.920 2.541 2.019 2.863 . 0 0 "[ . 1]" 1
434 1 55 ILE MG 1 59 LYS QB 7.000 . 7.000 4.435 3.292 6.264 . 0 0 "[ . 1]" 1
435 1 55 ILE MG 1 59 LYS QD 6.610 . 6.610 5.173 3.743 6.673 0.063 2 0 "[ . 1]" 1
436 1 55 ILE MG 1 59 LYS QE 6.415 . 6.415 4.772 3.020 6.611 0.196 6 0 "[ . 1]" 1
437 1 56 LEU H 1 57 GLU H 4.621 . 4.621 2.667 2.483 2.922 . 0 0 "[ . 1]" 1
438 1 56 LEU H 1 58 ALA H 6.467 . 6.467 3.797 3.634 4.038 . 0 0 "[ . 1]" 1
439 1 56 LEU HA 1 56 LEU QD 4.205 . 4.205 2.228 2.033 2.410 . 0 0 "[ . 1]" 1
440 1 56 LEU QD 1 59 LYS QD 5.400 . 5.400 4.495 3.199 5.200 . 0 0 "[ . 1]" 1
441 1 56 LEU QD 1 59 LYS QG 5.680 . 5.680 5.280 4.175 5.897 0.217 5 0 "[ . 1]" 1
442 1 57 GLU H 1 58 ALA H 4.556 . 4.556 2.592 2.502 2.662 . 0 0 "[ . 1]" 1
443 1 57 GLU HA 1 60 VAL HB 5.500 . 5.500 3.747 3.135 5.435 . 0 0 "[ . 1]" 1
444 1 57 GLU HA 1 60 VAL MG1 5.230 . 5.230 4.456 4.054 4.702 . 0 0 "[ . 1]" 1
445 1 57 GLU HA 1 60 VAL MG2 5.230 . 5.230 2.384 2.223 2.631 . 0 0 "[ . 1]" 1
446 1 57 GLU HA 1 152 LEU MD1 4.850 . 4.850 3.919 3.044 5.025 0.175 4 0 "[ . 1]" 1
447 1 57 GLU HA 1 152 LEU MD2 4.850 . 4.850 4.371 3.603 4.872 0.022 6 0 "[ . 1]" 1
448 1 57 GLU QB 1 58 ALA HA 6.441 . 6.441 3.957 3.898 4.006 . 0 0 "[ . 1]" 1
449 1 57 GLU QB 1 60 VAL HB 6.490 . 6.490 4.447 3.752 6.610 0.120 3 0 "[ . 1]" 1
450 1 57 GLU QB 1 60 VAL QG 5.540 . 5.540 3.736 3.360 4.031 . 0 0 "[ . 1]" 1
451 1 57 GLU QB 1 152 LEU QD 4.170 . 4.170 3.915 3.505 4.392 0.222 9 0 "[ . 1]" 1
452 1 57 GLU QG 1 152 LEU QB 5.560 . 5.560 4.857 3.949 5.571 0.011 6 0 "[ . 1]" 1
453 1 57 GLU QG 1 152 LEU QD 4.240 . 4.240 2.452 2.050 2.854 . 0 0 "[ . 1]" 1
454 1 58 ALA H 1 59 LYS H 4.712 . 4.712 2.593 2.373 2.669 . 0 0 "[ . 1]" 1
455 1 58 ALA MB 1 59 LYS H 6.272 . 6.272 2.650 2.460 2.990 . 0 0 "[ . 1]" 1
456 1 58 ALA MB 1 59 LYS HA 6.974 . 6.974 3.828 3.780 3.892 . 0 0 "[ . 1]" 1
457 1 58 ALA MB 1 62 ALA MB 5.661 . 5.661 4.221 3.705 4.555 . 0 0 "[ . 1]" 1
458 1 58 ALA MB 1 106 LEU MD1 4.990 . 4.990 3.831 2.918 4.953 . 0 0 "[ . 1]" 1
459 1 58 ALA MB 1 106 LEU MD2 4.990 . 4.990 3.489 2.845 5.019 0.029 10 0 "[ . 1]" 1
460 1 59 LYS H 1 61 ARG H 6.532 . 6.532 4.392 3.858 4.550 . 0 0 "[ . 1]" 1
461 1 59 LYS H 1 62 ALA H 5.040 . 5.040 4.924 4.661 5.115 0.075 2 0 "[ . 1]" 1
462 1 59 LYS HA 1 62 ALA MB 5.350 . 5.350 2.711 2.441 3.012 . 0 0 "[ . 1]" 1
463 1 59 LYS HA 1 63 THR MG 7.000 . 7.000 4.319 3.661 4.731 . 0 0 "[ . 1]" 1
464 1 59 LYS HA 1 144 VAL QG 5.120 . 5.120 4.921 4.425 5.341 0.221 5 0 "[ . 1]" 1
465 1 59 LYS QB 1 63 THR MG 7.000 . 7.000 4.486 3.470 5.169 . 0 0 "[ . 1]" 1
466 1 59 LYS QD 1 108 ILE MD 4.900 . 4.900 3.630 2.375 5.191 0.291 7 0 "[ . 1]" 1
467 1 59 LYS QD 1 108 ILE QG 4.700 . 4.700 3.360 2.084 4.726 0.026 1 0 "[ . 1]" 1
468 1 59 LYS QD 1 144 VAL QG 5.410 . 5.410 3.085 2.339 3.899 . 0 0 "[ . 1]" 1
469 1 59 LYS QE 1 108 ILE H 5.800 . 5.800 4.305 2.797 5.944 0.144 6 0 "[ . 1]" 1
470 1 59 LYS QE 1 108 ILE MD 6.310 . 6.310 4.187 2.891 6.118 . 0 0 "[ . 1]" 1
471 1 59 LYS QG 1 108 ILE HA 5.560 . 5.560 5.055 3.246 5.740 0.180 5 0 "[ . 1]" 1
472 1 59 LYS QG 1 108 ILE QG 4.040 . 4.040 3.362 2.263 4.094 0.054 7 0 "[ . 1]" 1
473 1 59 LYS QG 1 144 VAL QG 5.460 . 5.460 3.105 2.366 4.735 . 0 0 "[ . 1]" 1
474 1 60 VAL H 1 61 ARG H 4.426 . 4.426 2.531 2.422 2.591 . 0 0 "[ . 1]" 1
475 1 60 VAL HA 1 145 HIS HD2 6.540 . 6.540 4.480 3.234 6.608 0.068 6 0 "[ . 1]" 1
476 1 60 VAL HB 1 145 HIS HA 6.080 . 6.080 5.564 4.185 6.064 . 0 0 "[ . 1]" 1
477 1 60 VAL QG 1 64 THR HA 7.000 . 7.000 5.084 4.560 5.668 . 0 0 "[ . 1]" 1
478 1 60 VAL QG 1 64 THR HB 7.000 . 7.000 5.099 4.772 5.530 . 0 0 "[ . 1]" 1
479 1 60 VAL QG 1 145 HIS HA 5.310 . 5.310 2.831 2.289 3.267 . 0 0 "[ . 1]" 1
480 1 60 VAL QG 1 145 HIS HD2 4.500 . 4.500 3.126 2.337 4.082 . 0 0 "[ . 1]" 1
481 1 60 VAL QG 1 145 HIS HE1 4.980 . 4.980 3.143 2.229 3.840 . 0 0 "[ . 1]" 1
482 1 60 VAL QG 1 146 THR HA 5.490 . 5.490 5.456 4.706 5.647 0.157 4 0 "[ . 1]" 1
483 1 60 VAL QG 1 149 TYR HA 4.470 . 4.470 3.839 2.770 4.522 0.052 1 0 "[ . 1]" 1
484 1 60 VAL QG 1 149 TYR QB 4.280 . 4.280 3.596 2.462 4.050 . 0 0 "[ . 1]" 1
485 1 60 VAL QG 1 149 TYR QD 5.380 . 5.380 3.828 2.734 4.643 . 0 0 "[ . 1]" 1
486 1 60 VAL MG1 1 145 HIS HD2 5.690 . 5.690 3.186 2.343 4.201 . 0 0 "[ . 1]" 1
487 1 60 VAL MG1 1 149 TYR QD 6.140 . 6.140 4.041 2.977 5.081 . 0 0 "[ . 1]" 1
488 1 60 VAL MG2 1 145 HIS HD2 5.690 . 5.690 4.948 4.478 5.675 . 0 0 "[ . 1]" 1
489 1 60 VAL MG2 1 149 TYR QD 6.140 . 6.140 4.779 3.184 5.611 . 0 0 "[ . 1]" 1
490 1 62 ALA H 1 63 THR H 4.647 . 4.647 2.672 2.590 2.736 . 0 0 "[ . 1]" 1
491 1 62 ALA H 1 64 THR H 6.558 . 6.558 3.823 3.656 3.978 . 0 0 "[ . 1]" 1
492 1 62 ALA HA 1 63 THR MG 5.310 . 5.310 4.859 4.749 4.965 . 0 0 "[ . 1]" 1
493 1 62 ALA HA 1 65 VAL QG 4.200 . 4.200 3.723 2.678 4.140 . 0 0 "[ . 1]" 1
494 1 62 ALA HA 1 106 LEU QD 6.790 . 6.790 4.021 3.594 4.815 . 0 0 "[ . 1]" 1
495 1 62 ALA MB 1 63 THR MG 4.790 . 4.790 2.959 2.792 3.585 . 0 0 "[ . 1]" 1
496 1 62 ALA MB 1 64 THR HB 7.000 . 7.000 5.665 5.533 5.757 . 0 0 "[ . 1]" 1
497 1 62 ALA MB 1 65 VAL QG 4.800 . 4.800 4.622 3.678 5.015 0.215 3 0 "[ . 1]" 1
498 1 62 ALA MB 1 103 LEU QD 4.800 . 4.800 2.780 2.190 3.735 . 0 0 "[ . 1]" 1
499 1 62 ALA MB 1 106 LEU QD 4.070 . 4.070 2.236 1.898 2.886 . 0 0 "[ . 1]" 1
500 1 62 ALA MB 1 108 ILE MD 4.570 . 4.570 3.207 2.401 4.000 . 0 0 "[ . 1]" 1
501 1 62 ALA MB 1 108 ILE MG 6.060 . 6.060 5.523 4.687 6.292 0.232 4 0 "[ . 1]" 1
502 1 63 THR H 1 64 THR H 5.492 . 5.492 2.481 2.374 2.564 . 0 0 "[ . 1]" 1
503 1 63 THR H 1 65 VAL H 5.999 . 5.999 4.685 4.570 4.808 . 0 0 "[ . 1]" 1
504 1 63 THR HA 1 66 ALA MB 4.540 . 4.540 2.346 2.255 2.505 . 0 0 "[ . 1]" 1
505 1 63 THR MG 1 64 THR HA 6.714 . 6.714 5.229 3.254 5.480 . 0 0 "[ . 1]" 1
506 1 63 THR MG 1 108 ILE MD 4.110 . 4.110 2.983 2.135 4.112 0.002 8 0 "[ . 1]" 1
507 1 63 THR MG 1 108 ILE QG 3.980 . 3.980 3.651 2.848 4.118 0.138 3 0 "[ . 1]" 1
508 1 63 THR MG 1 108 ILE MG 5.030 . 5.030 4.050 2.379 5.034 0.004 9 0 "[ . 1]" 1
509 1 63 THR MG 1 141 LEU QD 5.360 . 5.360 2.596 1.995 3.508 . 0 0 "[ . 1]" 1
510 1 63 THR MG 1 142 GLN HA 5.320 . 5.320 5.440 5.338 5.623 0.303 3 0 "[ . 1]" 1
511 1 63 THR MG 1 144 VAL HB 4.620 . 4.620 2.621 2.185 4.386 . 0 0 "[ . 1]" 1
512 1 63 THR MG 1 144 VAL MG1 4.540 . 4.540 2.192 2.023 2.619 . 0 0 "[ . 1]" 1
513 1 63 THR MG 1 144 VAL QG 3.840 . 3.840 2.124 2.001 2.601 . 0 0 "[ . 1]" 1
514 1 63 THR MG 1 144 VAL MG2 4.540 . 4.540 3.192 2.166 4.423 . 0 0 "[ . 1]" 1
515 1 64 THR H 1 65 VAL H 4.998 . 4.998 2.831 2.766 2.890 . 0 0 "[ . 1]" 1
516 1 64 THR H 1 66 ALA H 6.233 . 6.233 4.126 4.021 4.296 . 0 0 "[ . 1]" 1
517 1 64 THR HB 1 65 VAL QG 5.115 . 5.115 2.954 2.679 3.874 . 0 0 "[ . 1]" 1
518 1 64 THR MG 1 68 LYS HA 7.000 . 7.000 6.462 6.196 6.606 . 0 0 "[ . 1]" 1
519 1 65 VAL H 1 66 ALA H 4.426 . 4.426 2.582 2.454 2.642 . 0 0 "[ . 1]" 1
520 1 65 VAL HB 1 66 ALA MB 7.000 . 7.000 4.263 3.861 5.305 . 0 0 "[ . 1]" 1
521 1 65 VAL QG 1 66 ALA H 6.129 . 6.129 2.786 1.789 3.233 0.011 9 0 "[ . 1]" 1
522 1 65 VAL QG 1 66 ALA HA 5.830 . 5.830 3.327 2.851 3.526 . 0 0 "[ . 1]" 1
523 1 65 VAL QG 1 66 ALA MB 5.466 . 5.466 3.619 2.772 4.001 . 0 0 "[ . 1]" 1
524 1 65 VAL QG 1 68 LYS HG2 5.730 . 5.730 5.293 4.691 5.840 0.110 9 0 "[ . 1]" 1
525 1 65 VAL QG 1 103 LEU QD 4.950 . 4.950 4.536 3.678 4.986 0.036 10 0 "[ . 1]" 1
526 1 65 VAL MG1 1 66 ALA HA 7.000 . 7.000 3.603 2.990 5.370 . 0 0 "[ . 1]" 1
527 1 65 VAL MG1 1 66 ALA MB 6.675 . 6.675 4.003 2.876 4.938 . 0 0 "[ . 1]" 1
528 1 65 VAL MG2 1 66 ALA HA 7.000 . 7.000 4.799 3.228 5.389 . 0 0 "[ . 1]" 1
529 1 65 VAL MG2 1 66 ALA MB 6.675 . 6.675 4.565 2.786 4.919 . 0 0 "[ . 1]" 1
530 1 66 ALA H 1 67 GLU H 4.751 . 4.751 2.758 2.616 2.906 . 0 0 "[ . 1]" 1
531 1 66 ALA H 1 68 LYS H 6.415 . 6.415 4.375 4.168 4.582 . 0 0 "[ . 1]" 1
532 1 66 ALA HA 1 99 VAL QG 5.900 . 5.900 4.056 3.494 4.838 . 0 0 "[ . 1]" 1
533 1 66 ALA HA 1 103 LEU QD 6.080 . 6.080 4.239 3.820 4.618 . 0 0 "[ . 1]" 1
534 1 66 ALA MB 1 70 VAL MG1 6.883 . 6.883 5.320 3.791 6.096 . 0 0 "[ . 1]" 1
535 1 66 ALA MB 1 70 VAL QG 5.596 . 5.596 3.645 3.315 3.831 . 0 0 "[ . 1]" 1
536 1 66 ALA MB 1 70 VAL MG2 6.883 . 6.883 3.844 3.340 4.244 . 0 0 "[ . 1]" 1
537 1 66 ALA MB 1 96 MET ME 4.850 . 4.850 4.519 3.607 4.943 0.093 1 0 "[ . 1]" 1
538 1 66 ALA MB 1 103 LEU QB 5.510 . 5.510 4.769 4.500 5.258 . 0 0 "[ . 1]" 1
539 1 66 ALA MB 1 103 LEU QD 4.250 . 4.250 2.428 1.993 2.774 . 0 0 "[ . 1]" 1
540 1 66 ALA MB 1 111 MET ME 6.310 . 6.310 5.231 4.978 5.631 . 0 0 "[ . 1]" 1
541 1 66 ALA MB 1 141 LEU MD1 4.640 . 4.640 3.085 2.167 3.913 . 0 0 "[ . 1]" 1
542 1 66 ALA MB 1 141 LEU QD 3.960 . 3.960 2.453 2.109 2.750 . 0 0 "[ . 1]" 1
543 1 66 ALA MB 1 141 LEU MD2 4.640 . 4.640 2.751 2.118 3.810 . 0 0 "[ . 1]" 1
544 1 67 GLU H 1 68 LYS H 4.582 . 4.582 2.796 2.729 2.965 . 0 0 "[ . 1]" 1
545 1 67 GLU H 1 69 PHE H 6.649 . 6.649 4.136 4.014 4.261 . 0 0 "[ . 1]" 1
546 1 67 GLU HA 1 68 LYS HG2 6.922 . 6.922 6.430 5.343 7.316 0.394 5 0 "[ . 1]" 1
547 1 67 GLU QB 1 68 LYS HG2 5.648 . 5.648 4.607 3.193 5.338 . 0 0 "[ . 1]" 1
548 1 68 LYS HA 1 70 VAL QG 7.000 . 7.000 4.785 4.170 5.225 . 0 0 "[ . 1]" 1
549 1 68 LYS HA 1 71 ILE MD 4.290 . 4.290 2.285 2.204 2.384 . 0 0 "[ . 1]" 1
550 1 68 LYS QB 1 71 ILE MD 5.570 . 5.570 3.842 3.246 4.257 . 0 0 "[ . 1]" 1
551 1 68 LYS HG3 1 71 ILE MD 4.080 . 4.080 4.129 3.399 4.440 0.360 10 0 "[ . 1]" 1
552 1 69 PHE H 1 70 VAL H 4.426 . 4.426 2.733 2.585 2.900 . 0 0 "[ . 1]" 1
553 1 69 PHE H 1 71 ILE H 5.947 . 5.947 4.268 3.953 4.490 . 0 0 "[ . 1]" 1
554 1 69 PHE H 1 72 ALA H 5.240 . 5.240 4.921 4.715 5.118 . 0 0 "[ . 1]" 1
555 1 69 PHE H 1 72 ALA MB 6.660 . 6.660 4.942 4.569 5.179 . 0 0 "[ . 1]" 1
556 1 69 PHE HA 1 72 ALA MB 4.680 . 4.680 2.805 2.370 2.970 . 0 0 "[ . 1]" 1
557 1 69 PHE QD 1 70 VAL H 4.959 . 4.959 3.291 2.725 3.673 . 0 0 "[ . 1]" 1
558 1 69 PHE QD 1 70 VAL QG 5.310 . 5.310 2.981 2.401 3.417 . 0 0 "[ . 1]" 1
559 1 69 PHE QD 1 72 ALA MB 6.670 . 6.670 3.795 3.532 4.110 . 0 0 "[ . 1]" 1
560 1 69 PHE QD 1 96 MET ME 5.210 . 5.210 4.678 3.840 5.094 . 0 0 "[ . 1]" 1
561 1 69 PHE QD 1 99 VAL QG 5.070 . 5.070 3.389 2.913 3.864 . 0 0 "[ . 1]" 1
562 1 69 PHE QD 1 137 MET ME 4.300 . 4.300 4.424 3.981 4.646 0.346 4 0 "[ . 1]" 1
563 1 70 VAL H 1 71 ILE H 4.569 . 4.569 2.817 2.732 2.973 . 0 0 "[ . 1]" 1
564 1 70 VAL HA 1 72 ALA MB 7.000 . 7.000 4.573 4.438 4.784 . 0 0 "[ . 1]" 1
565 1 70 VAL HA 1 73 ILE HB 5.640 . 5.640 3.390 3.056 3.700 . 0 0 "[ . 1]" 1
566 1 70 VAL HA 1 73 ILE MD 5.610 . 5.610 3.538 2.649 4.480 . 0 0 "[ . 1]" 1
567 1 70 VAL HA 1 73 ILE MG 5.570 . 5.570 4.535 4.171 5.016 . 0 0 "[ . 1]" 1
568 1 70 VAL HB 1 72 ALA MB 7.000 . 7.000 6.053 5.675 6.445 . 0 0 "[ . 1]" 1
569 1 70 VAL HB 1 134 ALA HA 6.050 . 6.050 5.503 4.083 6.295 0.245 6 0 "[ . 1]" 1
570 1 70 VAL HB 1 138 ARG QG 6.270 . 6.270 3.794 2.661 4.647 . 0 0 "[ . 1]" 1
571 1 70 VAL HB 1 141 LEU QD 4.550 . 4.550 3.815 3.445 4.767 0.217 9 0 "[ . 1]" 1
572 1 70 VAL QG 1 71 ILE H 5.999 . 5.999 2.759 1.889 3.214 . 0 0 "[ . 1]" 1
573 1 70 VAL QG 1 71 ILE HA 5.128 . 5.128 3.412 3.289 3.531 . 0 0 "[ . 1]" 1
574 1 70 VAL QG 1 71 ILE MD 5.869 . 5.869 4.355 3.476 4.893 . 0 0 "[ . 1]" 1
575 1 70 VAL QG 1 72 ALA MB 6.675 . 6.675 4.845 4.731 4.964 . 0 0 "[ . 1]" 1
576 1 70 VAL QG 1 73 ILE H 6.110 . 6.110 4.287 4.104 4.596 . 0 0 "[ . 1]" 1
577 1 70 VAL QG 1 73 ILE HB 4.570 . 4.570 3.752 3.351 4.509 . 0 0 "[ . 1]" 1
578 1 70 VAL QG 1 73 ILE MD 4.750 . 4.750 4.228 3.695 4.818 0.068 8 0 "[ . 1]" 1
579 1 70 VAL QG 1 73 ILE MG 5.230 . 5.230 4.289 3.853 4.858 . 0 0 "[ . 1]" 1
580 1 70 VAL QG 1 74 GLU H 7.000 . 7.000 4.429 4.009 5.394 . 0 0 "[ . 1]" 1
581 1 70 VAL QG 1 96 MET QB 5.240 . 5.240 4.967 4.251 5.299 0.059 1 0 "[ . 1]" 1
582 1 70 VAL QG 1 96 MET ME 3.790 . 3.790 3.317 2.348 3.812 0.022 4 0 "[ . 1]" 1
583 1 70 VAL QG 1 111 MET ME 4.710 . 4.710 4.095 3.548 4.826 0.116 5 0 "[ . 1]" 1
584 1 70 VAL QG 1 133 ILE MG 5.470 . 5.470 4.921 4.361 5.319 . 0 0 "[ . 1]" 1
585 1 70 VAL QG 1 134 ALA HA 4.860 . 4.860 3.406 2.838 4.505 . 0 0 "[ . 1]" 1
586 1 70 VAL QG 1 134 ALA MB 5.210 . 5.210 3.571 2.912 4.613 . 0 0 "[ . 1]" 1
587 1 70 VAL QG 1 137 MET HA 4.850 . 4.850 3.837 3.609 4.168 . 0 0 "[ . 1]" 1
588 1 70 VAL QG 1 137 MET ME 4.450 . 4.450 2.568 2.160 2.992 . 0 0 "[ . 1]" 1
589 1 70 VAL QG 1 138 ARG H 5.350 . 5.350 2.706 2.211 3.794 . 0 0 "[ . 1]" 1
590 1 70 VAL QG 1 138 ARG HA 5.200 . 5.200 2.567 2.447 2.761 . 0 0 "[ . 1]" 1
591 1 70 VAL QG 1 138 ARG QB 4.510 . 4.510 2.446 2.068 3.665 . 0 0 "[ . 1]" 1
592 1 70 VAL QG 1 138 ARG QD 6.080 . 6.080 3.548 3.235 4.176 . 0 0 "[ . 1]" 1
593 1 70 VAL QG 1 138 ARG QG 5.290 . 5.290 3.182 2.137 3.730 . 0 0 "[ . 1]" 1
594 1 70 VAL QG 1 141 LEU HA 5.110 . 5.110 5.415 5.192 5.594 0.484 8 0 "[ . 1]" 1
595 1 70 VAL QG 1 141 LEU QD 3.770 . 3.770 2.063 1.815 2.811 . 0 0 "[ . 1]" 1
596 1 70 VAL MG1 1 71 ILE H 6.922 . 6.922 3.537 3.129 4.016 . 0 0 "[ . 1]" 1
597 1 70 VAL MG1 1 73 ILE HB 5.500 . 5.500 3.888 3.405 4.834 . 0 0 "[ . 1]" 1
598 1 70 VAL MG1 1 73 ILE MD 5.390 . 5.390 4.599 4.062 5.396 0.006 8 0 "[ . 1]" 1
599 1 70 VAL MG1 1 137 MET ME 5.350 . 5.350 2.688 2.266 3.269 . 0 0 "[ . 1]" 1
600 1 70 VAL MG2 1 71 ILE H 6.922 . 6.922 3.198 1.893 3.788 . 0 0 "[ . 1]" 1
601 1 70 VAL MG2 1 73 ILE HB 5.500 . 5.500 5.110 4.886 5.394 . 0 0 "[ . 1]" 1
602 1 70 VAL MG2 1 73 ILE MD 5.390 . 5.390 4.975 4.232 5.758 0.368 3 0 "[ . 1]" 1
603 1 70 VAL MG2 1 137 MET ME 5.350 . 5.350 3.648 2.718 4.644 . 0 0 "[ . 1]" 1
604 1 71 ILE H 1 72 ALA H 4.348 . 4.348 2.753 2.717 2.790 . 0 0 "[ . 1]" 1
605 1 71 ILE HA 1 138 ARG QD 5.750 . 5.750 3.722 2.346 4.564 . 0 0 "[ . 1]" 1
606 1 71 ILE HA 1 138 ARG QG 5.730 . 5.730 5.155 3.582 5.763 0.033 6 0 "[ . 1]" 1
607 1 71 ILE HB 1 138 ARG QB 6.000 . 6.000 6.190 5.815 6.468 0.468 9 0 "[ . 1]" 1
608 1 71 ILE MD 1 72 ALA H 6.831 . 6.831 4.412 3.918 4.570 . 0 0 "[ . 1]" 1
609 1 71 ILE MD 1 138 ARG QB 5.360 . 5.360 4.989 4.352 5.761 0.401 6 0 "[ . 1]" 1
610 1 71 ILE MD 1 138 ARG QD 5.350 . 5.350 3.472 3.001 4.410 . 0 0 "[ . 1]" 1
611 1 71 ILE MG 1 72 ALA H 6.077 . 6.077 3.500 3.175 3.982 . 0 0 "[ . 1]" 1
612 1 71 ILE MG 1 72 ALA HA 5.258 . 5.258 3.677 3.203 5.450 0.192 6 0 "[ . 1]" 1
613 1 71 ILE MG 1 72 ALA MB 5.843 . 5.843 4.306 3.823 5.133 . 0 0 "[ . 1]" 1
614 1 71 ILE MG 1 74 GLU HB2 5.760 . 5.760 4.180 3.034 4.649 . 0 0 "[ . 1]" 1
615 1 71 ILE MG 1 74 GLU HB3 5.760 . 5.760 3.697 3.235 4.799 . 0 0 "[ . 1]" 1
616 1 71 ILE MG 1 75 GLU QB 7.000 . 7.000 3.811 2.846 5.943 . 0 0 "[ . 1]" 1
617 1 71 ILE MG 1 75 GLU QG 5.700 . 5.700 4.098 2.514 4.818 . 0 0 "[ . 1]" 1
618 1 71 ILE MG 1 138 ARG QG 5.690 . 5.690 5.224 3.555 5.755 0.065 5 0 "[ . 1]" 1
619 1 72 ALA H 1 73 ILE H 4.543 . 4.543 2.767 2.649 2.836 . 0 0 "[ . 1]" 1
620 1 72 ALA H 1 74 GLU H 5.765 . 5.765 4.283 4.182 4.371 . 0 0 "[ . 1]" 1
621 1 72 ALA MB 1 73 ILE H 5.856 . 5.856 2.550 2.420 2.727 . 0 0 "[ . 1]" 1
622 1 72 ALA MB 1 73 ILE HA 7.000 . 7.000 3.794 3.754 3.831 . 0 0 "[ . 1]" 1
623 1 72 ALA MB 1 73 ILE MD 6.402 . 6.402 2.646 2.227 3.033 . 0 0 "[ . 1]" 1
624 1 73 ILE H 1 73 ILE MD 5.843 . 5.843 2.427 1.789 2.910 0.011 5 0 "[ . 1]" 1
625 1 73 ILE H 1 74 GLU H 4.686 . 4.686 2.678 2.623 2.709 . 0 0 "[ . 1]" 1
626 1 73 ILE H 1 75 GLU H 6.194 . 6.194 4.271 4.109 4.381 . 0 0 "[ . 1]" 1
627 1 73 ILE H 1 76 GLU H 5.340 . 5.340 4.707 4.559 5.030 . 0 0 "[ . 1]" 1
628 1 73 ILE HA 1 92 MET ME 5.130 . 5.130 3.131 2.437 4.543 . 0 0 "[ . 1]" 1
629 1 73 ILE HA 1 137 MET ME 5.500 . 5.500 5.738 5.610 5.872 0.372 5 0 "[ . 1]" 1
630 1 73 ILE HB 1 95 LEU QD 6.880 . 6.880 6.736 6.039 7.231 0.351 9 0 "[ . 1]" 1
631 1 73 ILE HB 1 130 VAL QG 5.890 . 5.890 4.667 4.177 5.130 . 0 0 "[ . 1]" 1
632 1 73 ILE HB 1 134 ALA MB 5.520 . 5.520 3.316 2.293 4.137 . 0 0 "[ . 1]" 1
633 1 73 ILE HB 1 137 MET ME 4.610 . 4.610 3.673 3.411 4.053 . 0 0 "[ . 1]" 1
634 1 73 ILE MD 1 76 GLU HA 7.000 . 7.000 6.392 5.924 6.721 . 0 0 "[ . 1]" 1
635 1 73 ILE MD 1 92 MET HA 4.980 . 4.980 4.670 3.964 5.263 0.283 10 0 "[ . 1]" 1
636 1 73 ILE MD 1 95 LEU HB3 5.690 . 5.690 4.013 3.618 4.397 . 0 0 "[ . 1]" 1
637 1 73 ILE MD 1 95 LEU QD 4.390 . 4.390 3.547 3.147 3.948 . 0 0 "[ . 1]" 1
638 1 73 ILE MD 1 95 LEU HG 6.320 . 6.320 5.305 3.511 6.467 0.147 6 0 "[ . 1]" 1
639 1 73 ILE MD 1 130 VAL QG 5.040 . 5.040 4.890 4.153 5.250 0.210 5 0 "[ . 1]" 1
640 1 73 ILE MD 1 137 MET ME 4.330 . 4.330 3.967 3.734 4.339 0.009 8 0 "[ . 1]" 1
641 1 73 ILE MG 1 77 ALA MB 5.921 . 5.921 3.292 2.711 4.019 . 0 0 "[ . 1]" 1
642 1 73 ILE MG 1 92 MET ME 4.350 . 4.350 2.846 2.294 3.691 . 0 0 "[ . 1]" 1
643 1 73 ILE MG 1 130 VAL MG1 5.340 . 5.340 2.578 2.160 3.023 . 0 0 "[ . 1]" 1
644 1 73 ILE MG 1 130 VAL QG 3.830 . 3.830 2.562 2.152 2.996 . 0 0 "[ . 1]" 1
645 1 73 ILE MG 1 130 VAL MG2 5.340 . 5.340 4.485 4.011 5.084 . 0 0 "[ . 1]" 1
646 1 73 ILE MG 1 131 LEU QD 5.550 . 5.550 4.572 3.804 5.256 . 0 0 "[ . 1]" 1
647 1 73 ILE MG 1 133 ILE HB 5.230 . 5.230 4.827 4.443 5.201 . 0 0 "[ . 1]" 1
648 1 73 ILE MG 1 133 ILE MG 5.290 . 5.290 4.686 3.985 5.231 . 0 0 "[ . 1]" 1
649 1 73 ILE MG 1 134 ALA HA 5.780 . 5.780 3.958 3.393 4.857 . 0 0 "[ . 1]" 1
650 1 73 ILE MG 1 134 ALA MB 4.440 . 4.440 2.748 2.146 3.971 . 0 0 "[ . 1]" 1
651 1 73 ILE MG 1 137 MET ME 3.820 . 3.820 3.019 2.676 3.332 . 0 0 "[ . 1]" 1
652 1 74 GLU H 1 75 GLU H 4.530 . 4.530 2.726 2.604 2.781 . 0 0 "[ . 1]" 1
653 1 74 GLU H 1 76 GLU H 6.532 . 6.532 4.090 3.935 4.290 . 0 0 "[ . 1]" 1
654 1 74 GLU HA 1 77 ALA MB 4.910 . 4.910 2.797 2.543 3.297 . 0 0 "[ . 1]" 1
655 1 74 GLU HA 1 92 MET ME 6.790 . 6.790 6.122 5.454 6.833 0.043 9 0 "[ . 1]" 1
656 1 74 GLU HA 1 131 LEU QD 4.120 . 4.120 3.156 2.508 3.768 . 0 0 "[ . 1]" 1
657 1 74 GLU HA 1 134 ALA MB 5.120 . 5.120 3.030 2.767 3.639 . 0 0 "[ . 1]" 1
658 1 74 GLU QB 1 131 LEU QD 5.050 . 5.050 3.783 2.900 4.813 . 0 0 "[ . 1]" 1
659 1 74 GLU QB 1 134 ALA MB 5.170 . 5.170 2.683 2.222 3.787 . 0 0 "[ . 1]" 1
660 1 74 GLU QG 1 131 LEU QD 4.660 . 4.660 2.615 1.975 3.532 . 0 0 "[ . 1]" 1
661 1 74 GLU HG2 1 134 ALA MB 5.080 . 5.080 3.640 2.095 5.081 0.001 2 0 "[ . 1]" 1
662 1 74 GLU HG3 1 134 ALA MB 5.080 . 5.080 3.047 2.286 3.934 . 0 0 "[ . 1]" 1
663 1 75 GLU H 1 78 THR H 6.310 . 6.310 5.020 4.786 5.164 . 0 0 "[ . 1]" 1
664 1 75 GLU HA 1 78 THR HB 4.930 . 4.930 3.590 2.938 4.489 . 0 0 "[ . 1]" 1
665 1 76 GLU H 1 77 ALA H 4.361 . 4.361 2.618 2.502 2.725 . 0 0 "[ . 1]" 1
666 1 76 GLU H 1 78 THR H 5.804 . 5.804 4.207 4.049 4.515 . 0 0 "[ . 1]" 1
667 1 76 GLU HA 1 80 LEU QB 7.000 . 7.000 5.165 4.176 6.011 . 0 0 "[ . 1]" 1
668 1 76 GLU HA 1 80 LEU QD 5.999 . 5.999 4.540 3.721 5.211 . 0 0 "[ . 1]" 1
669 1 76 GLU HA 1 92 MET ME 4.970 . 4.970 4.799 4.440 5.018 0.048 3 0 "[ . 1]" 1
670 1 76 GLU QB 1 77 ALA MB 6.272 . 6.272 3.925 3.830 4.040 . 0 0 "[ . 1]" 1
671 1 76 GLU QB 1 80 LEU QD 5.817 . 5.817 3.721 2.295 4.510 . 0 0 "[ . 1]" 1
672 1 76 GLU QB 1 80 LEU HG 6.675 . 6.675 5.220 3.017 6.808 0.133 1 0 "[ . 1]" 1
673 1 76 GLU QB 1 92 MET ME 5.010 . 5.010 2.509 2.217 2.802 . 0 0 "[ . 1]" 1
674 1 77 ALA H 1 78 THR H 4.582 . 4.582 2.705 2.619 2.874 . 0 0 "[ . 1]" 1
675 1 77 ALA H 1 79 LYS H 6.337 . 6.337 4.337 3.987 4.618 . 0 0 "[ . 1]" 1
676 1 77 ALA HA 1 80 LEU MD1 5.290 . 5.290 3.862 2.311 5.318 0.028 6 0 "[ . 1]" 1
677 1 77 ALA HA 1 80 LEU QD 4.480 . 4.480 3.047 2.306 4.026 . 0 0 "[ . 1]" 1
678 1 77 ALA HA 1 80 LEU MD2 5.290 . 5.290 4.177 3.094 5.150 . 0 0 "[ . 1]" 1
679 1 77 ALA HA 1 92 MET ME 5.050 . 5.050 4.296 3.308 5.024 . 0 0 "[ . 1]" 1
680 1 77 ALA HA 1 130 VAL QG 5.700 . 5.700 4.413 3.902 4.875 . 0 0 "[ . 1]" 1
681 1 77 ALA HA 1 131 LEU QD 5.530 . 5.530 4.676 4.119 5.643 0.113 7 0 "[ . 1]" 1
682 1 77 ALA MB 1 78 THR HA 6.636 . 6.636 3.809 3.740 3.849 . 0 0 "[ . 1]" 1
683 1 77 ALA MB 1 78 THR MG 5.505 . 5.505 4.738 3.488 4.998 . 0 0 "[ . 1]" 1
684 1 77 ALA MB 1 80 LEU QD 4.970 . 4.970 4.099 3.503 4.796 . 0 0 "[ . 1]" 1
685 1 77 ALA MB 1 80 LEU HG 5.320 . 5.320 5.288 4.828 5.612 0.292 1 0 "[ . 1]" 1
686 1 77 ALA MB 1 81 LYS HA 6.454 . 6.454 5.210 4.432 6.170 . 0 0 "[ . 1]" 1
687 1 77 ALA MB 1 81 LYS QB 5.323 . 5.323 5.107 4.342 5.598 0.275 8 0 "[ . 1]" 1
688 1 77 ALA MB 1 89 PHE QD 6.670 . 6.670 4.762 4.010 6.519 . 0 0 "[ . 1]" 1
689 1 77 ALA MB 1 89 PHE HZ 5.840 . 5.840 4.924 3.125 5.793 . 0 0 "[ . 1]" 1
690 1 77 ALA MB 1 92 MET ME 5.120 . 5.120 4.222 3.507 4.922 . 0 0 "[ . 1]" 1
691 1 77 ALA MB 1 127 ALA HA 5.170 . 5.170 3.805 3.216 4.389 . 0 0 "[ . 1]" 1
692 1 77 ALA MB 1 127 ALA MB 3.810 . 3.810 3.245 2.679 3.862 0.052 10 0 "[ . 1]" 1
693 1 77 ALA MB 1 130 VAL HB 5.710 . 5.710 3.164 2.349 3.909 . 0 0 "[ . 1]" 1
694 1 77 ALA MB 1 130 VAL MG1 4.870 . 4.870 3.103 2.557 3.507 . 0 0 "[ . 1]" 1
695 1 77 ALA MB 1 130 VAL QG 3.910 . 3.910 3.004 2.448 3.424 . 0 0 "[ . 1]" 1
696 1 77 ALA MB 1 130 VAL MG2 4.870 . 4.870 4.039 3.125 4.786 . 0 0 "[ . 1]" 1
697 1 77 ALA MB 1 131 LEU MD1 4.290 . 4.290 3.081 1.979 3.784 . 0 0 "[ . 1]" 1
698 1 77 ALA MB 1 131 LEU QD 3.580 . 3.580 2.425 1.950 3.319 . 0 0 "[ . 1]" 1
699 1 77 ALA MB 1 131 LEU MD2 4.290 . 4.290 2.996 1.983 4.135 . 0 0 "[ . 1]" 1
700 1 77 ALA MB 1 131 LEU HG 4.660 . 4.660 3.144 2.278 4.133 . 0 0 "[ . 1]" 1
701 1 78 THR H 1 81 LYS H 5.350 . 5.350 4.898 4.494 5.623 0.273 6 0 "[ . 1]" 1
702 1 78 THR HA 1 81 LYS HB2 5.300 . 5.300 3.703 2.386 5.183 . 0 0 "[ . 1]" 1
703 1 78 THR HA 1 81 LYS HB3 5.300 . 5.300 4.018 3.304 5.330 0.030 6 0 "[ . 1]" 1
704 1 78 THR HA 1 127 ALA MB 5.470 . 5.470 4.529 3.407 5.334 . 0 0 "[ . 1]" 1
705 1 78 THR MG 1 79 LYS HA 5.973 . 5.973 3.619 3.437 3.844 . 0 0 "[ . 1]" 1
706 1 78 THR MG 1 79 LYS QB 6.545 . 6.545 4.613 3.550 4.978 . 0 0 "[ . 1]" 1
707 1 78 THR MG 1 79 LYS QE 5.128 . 5.128 4.905 3.854 5.404 0.276 6 0 "[ . 1]" 1
708 1 78 THR MG 1 81 LYS HB2 5.370 . 5.370 4.509 3.394 5.371 0.001 5 0 "[ . 1]" 1
709 1 78 THR MG 1 81 LYS QB 4.620 . 4.620 3.873 3.259 4.589 . 0 0 "[ . 1]" 1
710 1 78 THR MG 1 81 LYS HB3 5.370 . 5.370 4.501 3.752 5.512 0.142 6 0 "[ . 1]" 1
711 1 78 THR MG 1 131 LEU QD 5.270 . 5.270 4.284 3.962 5.133 . 0 0 "[ . 1]" 1
712 1 78 THR MG 1 131 LEU HG 6.660 . 6.660 6.265 5.079 6.884 0.224 9 0 "[ . 1]" 1
713 1 79 LYS H 1 80 LEU H 4.127 . 4.127 2.568 2.448 2.730 . 0 0 "[ . 1]" 1
714 1 79 LYS H 1 81 LYS H 5.726 . 5.726 4.129 3.782 5.479 . 0 0 "[ . 1]" 1
715 1 79 LYS QB 1 80 LEU QB 4.504 . 4.504 4.236 3.938 4.485 . 0 0 "[ . 1]" 1
716 1 79 LYS QB 1 80 LEU QD 6.298 . 6.298 3.598 2.226 4.711 . 0 0 "[ . 1]" 1
717 1 79 LYS QE 1 80 LEU QD 7.000 . 7.000 6.349 5.256 7.405 0.405 1 0 "[ . 1]" 1
718 1 80 LEU HA 1 80 LEU QD 3.984 . 3.984 2.082 1.865 2.186 . 0 0 "[ . 1]" 1
719 1 80 LEU QB 1 84 GLY HA2 6.948 . 6.948 4.487 2.357 6.574 . 0 0 "[ . 1]" 1
720 1 80 LEU QB 1 84 GLY QA 5.973 . 5.973 3.930 2.177 5.648 . 0 0 "[ . 1]" 1
721 1 80 LEU QB 1 84 GLY HA3 6.948 . 6.948 4.650 2.434 7.170 0.222 10 0 "[ . 1]" 1
722 1 80 LEU QD 1 84 GLY QA 4.556 . 4.556 3.206 2.283 4.207 . 0 0 "[ . 1]" 1
723 1 80 LEU QD 1 89 PHE HZ 5.130 . 5.130 3.240 2.236 4.355 . 0 0 "[ . 1]" 1
724 1 80 LEU QD 1 92 MET ME 4.200 . 4.200 3.174 1.970 4.441 0.241 6 0 "[ . 1]" 1
725 1 80 LEU QD 1 127 ALA MB 4.310 . 4.310 3.868 3.517 4.312 0.002 10 0 "[ . 1]" 1
726 1 80 LEU QD 1 130 VAL QG 5.470 . 5.470 4.420 3.528 5.548 0.078 6 0 "[ . 1]" 1
727 1 80 LEU QD 1 131 LEU QD 6.410 . 6.410 5.831 5.240 6.608 0.198 7 0 "[ . 1]" 1
728 1 80 LEU MD1 1 84 GLY HA2 6.454 . 6.454 4.332 3.438 6.464 0.010 7 0 "[ . 1]" 1
729 1 80 LEU MD1 1 84 GLY HA3 6.454 . 6.454 4.591 2.336 6.133 . 0 0 "[ . 1]" 1
730 1 80 LEU MD1 1 89 PHE HZ 5.930 . 5.930 3.689 2.240 5.353 . 0 0 "[ . 1]" 1
731 1 80 LEU MD2 1 84 GLY HA2 6.454 . 6.454 4.184 2.360 6.443 . 0 0 "[ . 1]" 1
732 1 80 LEU MD2 1 84 GLY HA3 6.454 . 6.454 4.863 3.285 6.315 . 0 0 "[ . 1]" 1
733 1 80 LEU MD2 1 89 PHE HZ 5.930 . 5.930 4.349 2.967 5.470 . 0 0 "[ . 1]" 1
734 1 80 LEU HG 1 81 LYS QB 6.636 . 6.636 6.102 5.130 7.102 0.466 5 0 "[ . 1]" 1
735 1 80 LEU HG 1 127 ALA MB 4.760 . 4.760 4.648 3.413 5.068 0.308 9 0 "[ . 1]" 1
736 1 81 LYS H 1 82 GLU H 5.700 . 5.700 3.781 3.165 4.635 . 0 0 "[ . 1]" 1
737 1 81 LYS H 1 84 GLY H 6.320 . 6.320 6.334 5.672 6.807 0.487 3 0 "[ . 1]" 1
738 1 81 LYS HA 1 82 GLU QB 6.948 . 6.948 5.003 4.389 5.466 . 0 0 "[ . 1]" 1
739 1 81 LYS HA 1 82 GLU QG 6.922 . 6.922 5.109 3.866 5.975 . 0 0 "[ . 1]" 1
740 1 81 LYS HA 1 83 THR MG 6.714 . 6.714 5.867 4.224 7.014 0.300 2 0 "[ . 1]" 1
741 1 81 LYS HA 1 127 ALA MB 3.750 . 3.750 2.379 2.063 3.113 . 0 0 "[ . 1]" 1
742 1 81 LYS QB 1 82 GLU QG 6.532 . 6.532 3.913 2.626 5.974 . 0 0 "[ . 1]" 1
743 1 81 LYS QB 1 83 THR MG 6.454 . 6.454 5.888 3.826 6.611 0.157 4 0 "[ . 1]" 1
744 1 81 LYS QB 1 127 ALA MB 3.890 . 3.890 3.455 2.762 3.964 0.074 8 0 "[ . 1]" 1
745 1 81 LYS HB2 1 127 ALA MB 4.460 . 4.460 3.778 2.810 4.452 . 0 0 "[ . 1]" 1
746 1 81 LYS HB3 1 127 ALA MB 4.460 . 4.460 4.236 3.604 4.540 0.080 10 0 "[ . 1]" 1
747 1 82 GLU H 1 83 THR H 4.413 . 4.413 3.616 2.271 4.634 0.221 1 0 "[ . 1]" 1
748 1 82 GLU H 1 84 GLY H 5.674 . 5.674 4.255 2.504 5.510 . 0 0 "[ . 1]" 1
749 1 82 GLU QB 1 83 THR MG 4.959 . 4.959 3.068 2.392 4.410 . 0 0 "[ . 1]" 1
750 1 82 GLU HB2 1 83 THR MG 5.960 . 5.960 3.751 2.699 5.125 . 0 0 "[ . 1]" 1
751 1 82 GLU HB3 1 83 THR MG 5.960 . 5.960 3.490 2.539 5.080 . 0 0 "[ . 1]" 1
752 1 82 GLU QG 1 83 THR MG 6.077 . 6.077 4.137 3.244 5.127 . 0 0 "[ . 1]" 1
753 1 83 THR H 1 84 GLY H 4.062 . 4.062 2.702 1.577 3.954 0.223 5 0 "[ . 1]" 1
754 1 84 GLY QA 1 89 PHE HZ 5.580 . 5.580 3.485 2.448 4.677 . 0 0 "[ . 1]" 1
755 1 84 GLY HA2 1 89 PHE HZ 6.350 . 6.350 4.446 2.476 6.418 0.068 5 0 "[ . 1]" 1
756 1 84 GLY HA3 1 89 PHE HZ 6.350 . 6.350 3.988 3.100 4.809 . 0 0 "[ . 1]" 1
757 1 86 SER HA 1 89 PHE QD 5.250 . 5.250 2.480 2.331 3.368 . 0 0 "[ . 1]" 1
758 1 86 SER QB 1 125 THR HA 5.120 . 5.120 3.853 3.063 5.131 0.011 4 0 "[ . 1]" 1
759 1 86 SER QB 1 125 THR MG 4.080 . 4.080 3.560 2.299 4.124 0.044 9 0 "[ . 1]" 1
760 1 86 SER HB2 1 125 THR MG 4.720 . 4.720 4.147 3.354 4.732 0.012 1 0 "[ . 1]" 1
761 1 86 SER HB3 1 125 THR MG 4.720 . 4.720 4.072 2.322 4.817 0.097 5 0 "[ . 1]" 1
762 1 87 GLY H 1 88 GLU H 5.739 . 5.739 2.612 2.441 2.732 . 0 0 "[ . 1]" 1
763 1 88 GLU H 1 89 PHE H 4.270 . 4.270 2.680 2.549 2.825 . 0 0 "[ . 1]" 1
764 1 88 GLU HA 1 91 ALA MB 5.080 . 5.080 3.184 2.687 4.007 . 0 0 "[ . 1]" 1
765 1 89 PHE H 1 90 SER H 4.504 . 4.504 2.659 2.588 2.733 . 0 0 "[ . 1]" 1
766 1 89 PHE HA 1 92 MET ME 4.570 . 4.570 4.281 3.734 4.711 0.141 5 0 "[ . 1]" 1
767 1 89 PHE HA 1 130 VAL QG 5.590 . 5.590 3.819 3.353 4.354 . 0 0 "[ . 1]" 1
768 1 89 PHE QB 1 92 MET ME 6.740 . 6.740 5.444 5.147 5.698 . 0 0 "[ . 1]" 1
769 1 89 PHE QB 1 130 VAL QG 4.610 . 4.610 2.606 2.120 3.877 . 0 0 "[ . 1]" 1
770 1 89 PHE QD 1 90 SER H 7.000 . 7.000 4.350 4.223 4.509 . 0 0 "[ . 1]" 1
771 1 89 PHE QD 1 92 MET ME 4.630 . 4.630 4.117 3.821 4.753 0.123 9 0 "[ . 1]" 1
772 1 89 PHE QD 1 126 THR HA 5.530 . 5.530 4.319 3.114 4.979 . 0 0 "[ . 1]" 1
773 1 89 PHE QD 1 126 THR MG 6.010 . 6.010 5.680 4.684 6.120 0.110 8 0 "[ . 1]" 1
774 1 89 PHE QD 1 127 ALA MB 5.360 . 5.360 4.593 4.182 5.436 0.076 9 0 "[ . 1]" 1
775 1 89 PHE QD 1 130 VAL MG1 5.580 . 5.580 3.444 2.585 4.790 . 0 0 "[ . 1]" 1
776 1 89 PHE QD 1 130 VAL QG 4.390 . 4.390 2.381 2.217 2.865 . 0 0 "[ . 1]" 1
777 1 89 PHE QD 1 130 VAL MG2 5.580 . 5.580 2.460 2.271 2.910 . 0 0 "[ . 1]" 1
778 1 89 PHE HZ 1 92 MET ME 6.840 . 6.840 6.386 5.644 6.977 0.137 1 0 "[ . 1]" 1
779 1 89 PHE HZ 1 130 VAL QG 4.660 . 4.660 4.380 3.356 4.967 0.307 10 0 "[ . 1]" 1
780 1 90 SER H 1 91 ALA H 4.478 . 4.478 2.741 2.698 2.829 . 0 0 "[ . 1]" 1
781 1 91 ALA H 1 92 MET H 4.374 . 4.374 2.590 2.441 2.690 . 0 0 "[ . 1]" 1
782 1 91 ALA HA 1 94 ASP HB2 5.200 . 5.200 3.254 2.921 3.753 . 0 0 "[ . 1]" 1
783 1 91 ALA HA 1 94 ASP QB 4.510 . 4.510 2.909 2.737 3.058 . 0 0 "[ . 1]" 1
784 1 91 ALA HA 1 94 ASP HB3 5.200 . 5.200 3.628 2.813 4.570 . 0 0 "[ . 1]" 1
785 1 91 ALA MB 1 92 MET HA 6.714 . 6.714 3.877 3.825 3.915 . 0 0 "[ . 1]" 1
786 1 91 ALA MB 1 92 MET ME 6.779 . 6.779 4.948 4.289 5.505 . 0 0 "[ . 1]" 1
787 1 91 ALA MB 1 94 ASP QB 5.240 . 5.240 4.030 3.837 4.165 . 0 0 "[ . 1]" 1
788 1 91 ALA MB 1 95 LEU QD 5.804 . 5.804 4.410 3.637 5.072 . 0 0 "[ . 1]" 1
789 1 91 ALA MB 1 95 LEU HG 6.493 . 6.493 5.868 4.569 6.563 0.070 8 0 "[ . 1]" 1
790 1 92 MET HA 1 92 MET ME 4.699 . 4.699 3.670 3.318 3.871 . 0 0 "[ . 1]" 1
791 1 92 MET HA 1 95 LEU MD1 4.910 . 4.910 3.657 2.299 5.361 0.451 8 0 "[ . 1]" 1
792 1 92 MET HA 1 95 LEU QD 4.030 . 4.030 3.129 2.292 4.165 0.135 8 0 "[ . 1]" 1
793 1 92 MET HA 1 95 LEU MD2 4.910 . 4.910 4.422 2.599 5.275 0.365 6 0 "[ . 1]" 1
794 1 92 MET HA 1 95 LEU HG 5.410 . 5.410 4.429 3.134 5.256 . 0 0 "[ . 1]" 1
795 1 92 MET ME 1 95 LEU HB2 5.460 . 5.460 5.541 5.399 5.695 0.235 6 0 "[ . 1]" 1
796 1 92 MET ME 1 127 ALA MB 6.410 . 6.410 6.331 5.795 6.685 0.275 2 0 "[ . 1]" 1
797 1 92 MET ME 1 130 VAL QG 4.970 . 4.970 3.936 3.295 4.557 . 0 0 "[ . 1]" 1
798 1 93 TYR H 1 94 ASP H 4.465 . 4.465 2.703 2.595 2.823 . 0 0 "[ . 1]" 1
799 1 93 TYR HA 1 115 VAL QG 6.010 . 6.010 4.659 3.831 5.252 . 0 0 "[ . 1]" 1
800 1 93 TYR HA 1 130 VAL QG 6.880 . 6.880 4.845 4.320 5.424 . 0 0 "[ . 1]" 1
801 1 93 TYR HA 1 137 MET ME 4.150 . 4.150 4.190 3.638 4.400 0.250 1 0 "[ . 1]" 1
802 1 93 TYR QB 1 119 ALA MB 6.600 . 6.600 5.434 4.683 5.963 . 0 0 "[ . 1]" 1
803 1 93 TYR QB 1 133 ILE MG 5.780 . 5.780 4.969 4.559 5.123 . 0 0 "[ . 1]" 1
804 1 93 TYR HB2 1 137 MET ME 5.590 . 5.590 5.830 5.615 6.063 0.473 4 0 "[ . 1]" 1
805 1 93 TYR QD 1 94 ASP H 6.220 . 6.220 3.580 2.845 4.237 . 0 0 "[ . 1]" 1
806 1 93 TYR QD 1 115 VAL MG1 5.140 . 5.140 4.360 2.384 5.283 0.143 7 0 "[ . 1]" 1
807 1 93 TYR QD 1 115 VAL QG 4.140 . 4.140 3.446 2.375 3.867 . 0 0 "[ . 1]" 1
808 1 93 TYR QD 1 115 VAL MG2 5.140 . 5.140 4.165 3.447 5.390 0.250 2 0 "[ . 1]" 1
809 1 93 TYR QD 1 119 ALA MB 4.910 . 4.910 4.426 3.872 4.984 0.074 3 0 "[ . 1]" 1
810 1 93 TYR QD 1 130 VAL MG1 5.290 . 5.290 4.565 3.949 5.182 . 0 0 "[ . 1]" 1
811 1 93 TYR QD 1 130 VAL QG 4.590 . 4.590 4.178 3.609 4.693 0.103 1 0 "[ . 1]" 1
812 1 93 TYR QD 1 130 VAL MG2 5.290 . 5.290 4.861 4.175 5.363 0.073 1 0 "[ . 1]" 1
813 1 93 TYR QD 1 133 ILE MD 4.860 . 4.860 5.060 4.895 5.202 0.342 8 0 "[ . 1]" 1
814 1 93 TYR QD 1 133 ILE MG 4.550 . 4.550 3.329 2.655 3.804 . 0 0 "[ . 1]" 1
815 1 93 TYR QE 1 115 VAL QG 4.080 . 4.080 2.435 2.098 3.438 . 0 0 "[ . 1]" 1
816 1 93 TYR QE 1 119 ALA MB 4.360 . 4.360 3.511 2.645 4.181 . 0 0 "[ . 1]" 1
817 1 93 TYR QE 1 133 ILE MD 5.460 . 5.460 4.452 3.466 5.500 0.040 1 0 "[ . 1]" 1
818 1 93 TYR QE 1 133 ILE MG 4.950 . 4.950 2.955 2.287 4.135 . 0 0 "[ . 1]" 1
819 1 93 TYR QE 1 137 MET ME 5.530 . 5.530 5.014 4.526 5.563 0.033 1 0 "[ . 1]" 1
820 1 94 ASP H 1 95 LEU H 4.712 . 4.712 2.710 2.573 2.793 . 0 0 "[ . 1]" 1
821 1 94 ASP HA 1 97 PHE HB2 5.690 . 5.690 3.461 2.861 3.888 . 0 0 "[ . 1]" 1
822 1 94 ASP HA 1 97 PHE QB 4.930 . 4.930 2.940 2.699 3.155 . 0 0 "[ . 1]" 1
823 1 94 ASP HA 1 97 PHE HB3 5.690 . 5.690 3.439 2.888 4.651 . 0 0 "[ . 1]" 1
824 1 94 ASP HA 1 97 PHE QD 5.670 . 5.670 4.488 2.387 5.040 . 0 0 "[ . 1]" 1
825 1 94 ASP QB 1 95 LEU QD 6.480 . 6.480 3.906 2.347 5.071 . 0 0 "[ . 1]" 1
826 1 94 ASP QB 1 95 LEU HG 7.000 . 7.000 4.851 3.235 6.365 . 0 0 "[ . 1]" 1
827 1 95 LEU H 1 96 MET H 4.673 . 4.673 2.681 2.605 2.742 . 0 0 "[ . 1]" 1
828 1 95 LEU H 1 97 PHE H 6.662 . 6.662 4.295 3.943 4.541 . 0 0 "[ . 1]" 1
829 1 95 LEU HA 1 95 LEU QD 4.257 . 4.257 2.210 1.987 2.549 . 0 0 "[ . 1]" 1
830 1 95 LEU HA 1 98 GLU QB 5.320 . 5.320 2.624 2.439 2.951 . 0 0 "[ . 1]" 1
831 1 95 LEU HA 1 98 GLU QG 5.110 . 5.110 3.487 2.561 4.479 . 0 0 "[ . 1]" 1
832 1 95 LEU HB2 1 99 VAL QG 5.973 . 5.973 4.888 4.558 5.484 . 0 0 "[ . 1]" 1
833 1 95 LEU HB3 1 98 GLU QG 6.300 . 6.300 5.811 5.168 6.325 0.025 4 0 "[ . 1]" 1
834 1 95 LEU HB3 1 137 MET ME 5.500 . 5.500 5.746 5.291 5.902 0.402 7 0 "[ . 1]" 1
835 1 95 LEU QD 1 98 GLU QB 5.540 . 5.540 2.990 2.255 4.066 . 0 0 "[ . 1]" 1
836 1 95 LEU QD 1 99 VAL QG 7.000 . 7.000 2.880 1.986 4.665 . 0 0 "[ . 1]" 1
837 1 96 MET H 1 97 PHE H 4.777 . 4.777 2.797 2.651 2.862 . 0 0 "[ . 1]" 1
838 1 96 MET H 1 98 GLU H 5.921 . 5.921 4.205 4.133 4.309 . 0 0 "[ . 1]" 1
839 1 96 MET H 1 137 MET ME 5.110 . 5.110 4.560 4.007 4.834 . 0 0 "[ . 1]" 1
840 1 96 MET HA 1 96 MET ME 5.583 . 5.583 3.284 2.495 3.644 . 0 0 "[ . 1]" 1
841 1 96 MET ME 1 97 PHE HA 5.141 . 5.141 4.635 4.232 4.917 . 0 0 "[ . 1]" 1
842 1 96 MET ME 1 97 PHE QB 5.713 . 5.713 5.779 5.398 5.896 0.183 5 0 "[ . 1]" 1
843 1 96 MET ME 1 99 VAL QG 3.950 . 3.950 3.122 2.659 3.764 . 0 0 "[ . 1]" 1
844 1 96 MET ME 1 101 LYS H 6.350 . 6.350 5.852 5.258 6.334 . 0 0 "[ . 1]" 1
845 1 96 MET ME 1 111 MET ME 3.650 . 3.650 2.872 2.111 3.715 0.065 5 0 "[ . 1]" 1
846 1 96 MET ME 1 112 THR MG 5.640 . 5.640 5.118 4.125 5.655 0.015 7 0 "[ . 1]" 1
847 1 96 MET ME 1 137 MET ME 4.420 . 4.420 3.391 2.948 3.789 . 0 0 "[ . 1]" 1
848 1 96 MET ME 1 141 LEU HA 6.280 . 6.280 6.478 6.356 6.587 0.307 7 0 "[ . 1]" 1
849 1 96 MET ME 1 141 LEU QD 4.570 . 4.570 3.237 2.782 4.311 . 0 0 "[ . 1]" 1
850 1 97 PHE H 1 98 GLU H 4.985 . 4.985 2.677 2.490 2.767 . 0 0 "[ . 1]" 1
851 1 97 PHE H 1 99 VAL H 6.623 . 6.623 4.221 4.025 4.490 . 0 0 "[ . 1]" 1
852 1 97 PHE HA 1 98 GLU QB 6.597 . 6.597 5.355 5.205 5.438 . 0 0 "[ . 1]" 1
853 1 97 PHE QB 1 98 GLU QG 6.506 . 6.506 3.861 3.087 5.636 . 0 0 "[ . 1]" 1
854 1 97 PHE HB2 1 112 THR MG 5.780 . 5.780 4.793 4.147 5.588 . 0 0 "[ . 1]" 1
855 1 97 PHE HB3 1 112 THR MG 5.780 . 5.780 5.249 3.838 5.971 0.191 1 0 "[ . 1]" 1
856 1 97 PHE QD 1 98 GLU H 6.649 . 6.649 3.639 3.176 4.225 . 0 0 "[ . 1]" 1
857 1 97 PHE QD 1 112 THR MG 6.560 . 6.560 2.823 2.380 3.654 . 0 0 "[ . 1]" 1
858 1 98 GLU H 1 99 VAL H 4.959 . 4.959 2.752 2.675 2.845 . 0 0 "[ . 1]" 1
859 1 98 GLU HA 1 101 LYS HG2 5.530 . 5.530 4.966 4.347 5.774 0.244 9 0 "[ . 1]" 1
860 1 98 GLU HA 1 101 LYS QG 4.870 . 4.870 4.257 3.767 4.676 . 0 0 "[ . 1]" 1
861 1 98 GLU HA 1 101 LYS HG3 5.530 . 5.530 4.883 3.978 5.912 0.382 6 0 "[ . 1]" 1
862 1 99 VAL H 1 100 SER H 4.569 . 4.569 2.419 2.339 2.514 . 0 0 "[ . 1]" 1
863 1 99 VAL H 1 101 LYS H 6.636 . 6.636 4.120 3.996 4.237 . 0 0 "[ . 1]" 1
864 1 99 VAL HA 1 102 PRO QG 5.340 . 5.340 2.465 2.283 2.671 . 0 0 "[ . 1]" 1
865 1 99 VAL QG 1 101 LYS H 6.558 . 6.558 4.289 3.938 4.517 . 0 0 "[ . 1]" 1
866 1 99 VAL QG 1 101 LYS HA 7.000 . 7.000 6.160 5.815 6.320 . 0 0 "[ . 1]" 1
867 1 100 SER H 1 101 LYS H 4.946 . 4.946 2.535 2.455 2.663 . 0 0 "[ . 1]" 1
868 1 101 LYS H 1 103 LEU H 6.350 . 6.350 4.075 3.971 4.325 . 0 0 "[ . 1]" 1
869 1 101 LYS H 1 104 GLN H 6.380 . 6.380 4.923 4.580 5.174 . 0 0 "[ . 1]" 1
870 1 102 PRO HB3 1 103 LEU QB 6.194 . 6.194 5.924 5.616 6.150 . 0 0 "[ . 1]" 1
871 1 103 LEU H 1 104 GLN H 4.387 . 4.387 2.600 2.490 2.806 . 0 0 "[ . 1]" 1
872 1 103 LEU H 1 105 LYS H 6.168 . 6.168 4.399 4.184 4.646 . 0 0 "[ . 1]" 1
873 1 103 LEU HA 1 106 LEU QD 4.700 . 4.700 3.097 2.332 3.933 . 0 0 "[ . 1]" 1
874 1 103 LEU HA 1 106 LEU HG 5.530 . 5.530 4.627 3.979 5.576 0.046 1 0 "[ . 1]" 1
875 1 103 LEU HA 1 108 ILE MD 4.530 . 4.530 4.037 2.991 4.681 0.151 3 0 "[ . 1]" 1
876 1 103 LEU QB 1 106 LEU QB 6.210 . 6.210 4.025 3.671 4.340 . 0 0 "[ . 1]" 1
877 1 103 LEU QB 1 108 ILE MD 4.870 . 4.870 2.947 2.057 3.744 . 0 0 "[ . 1]" 1
878 1 103 LEU QB 1 108 ILE MG 4.970 . 4.970 3.765 3.181 4.406 . 0 0 "[ . 1]" 1
879 1 103 LEU QD 1 106 LEU QD 4.440 . 4.440 3.120 2.417 3.819 . 0 0 "[ . 1]" 1
880 1 103 LEU QD 1 108 ILE HB 5.060 . 5.060 3.899 2.368 4.805 . 0 0 "[ . 1]" 1
881 1 103 LEU QD 1 108 ILE MD 4.010 . 4.010 2.629 2.048 3.943 . 0 0 "[ . 1]" 1
882 1 103 LEU QD 1 108 ILE MG 5.690 . 5.690 3.692 2.777 4.398 . 0 0 "[ . 1]" 1
883 1 103 LEU MD1 1 108 ILE HB 5.880 . 5.880 4.590 2.373 6.038 0.158 4 0 "[ . 1]" 1
884 1 103 LEU MD2 1 108 ILE HB 5.880 . 5.880 4.808 3.868 6.094 0.214 1 0 "[ . 1]" 1
885 1 104 GLN H 1 105 LYS H 4.725 . 4.725 2.721 2.608 2.841 . 0 0 "[ . 1]" 1
886 1 104 GLN H 1 106 LEU H 6.441 . 6.441 3.968 3.707 4.376 . 0 0 "[ . 1]" 1
887 1 105 LYS H 1 106 LEU H 4.517 . 4.517 2.701 2.521 2.916 . 0 0 "[ . 1]" 1
888 1 106 LEU H 1 107 GLY H 3.867 . 3.867 2.519 2.032 3.739 . 0 0 "[ . 1]" 1
889 1 106 LEU QB 1 108 ILE MD 6.532 . 6.532 3.328 2.313 4.506 . 0 0 "[ . 1]" 1
890 1 106 LEU QB 1 108 ILE QG 6.441 . 6.441 4.003 2.117 5.051 . 0 0 "[ . 1]" 1
891 1 106 LEU QD 1 108 ILE MD 5.947 . 5.947 3.702 2.505 4.851 . 0 0 "[ . 1]" 1
892 1 107 GLY H 1 108 ILE H 4.491 . 4.491 3.620 1.912 4.555 0.064 3 0 "[ . 1]" 1
893 1 107 GLY H 1 109 GLN H 7.000 . 7.000 5.615 3.972 6.454 . 0 0 "[ . 1]" 1
894 1 108 ILE H 1 109 GLN H 6.454 . 6.454 3.762 2.596 4.674 . 0 0 "[ . 1]" 1
895 1 108 ILE HA 1 111 MET ME 7.000 . 7.000 6.490 5.031 7.057 0.057 7 0 "[ . 1]" 1
896 1 108 ILE HA 1 144 VAL MG1 5.710 . 5.710 4.159 3.409 5.578 . 0 0 "[ . 1]" 1
897 1 108 ILE HA 1 144 VAL QG 4.400 . 4.400 3.667 3.111 4.346 . 0 0 "[ . 1]" 1
898 1 108 ILE HA 1 144 VAL MG2 5.710 . 5.710 4.273 3.505 5.698 . 0 0 "[ . 1]" 1
899 1 108 ILE HB 1 111 MET ME 6.190 . 6.190 5.631 4.628 6.309 0.119 2 0 "[ . 1]" 1
900 1 108 ILE HB 1 144 VAL QG 5.230 . 5.230 4.343 4.098 4.553 . 0 0 "[ . 1]" 1
901 1 108 ILE MD 1 144 VAL HB 5.330 . 5.330 4.608 3.638 5.533 0.203 8 0 "[ . 1]" 1
902 1 108 ILE MD 1 144 VAL MG1 5.380 . 5.380 3.021 2.221 3.349 . 0 0 "[ . 1]" 1
903 1 108 ILE MD 1 144 VAL QG 4.230 . 4.230 2.808 2.167 3.286 . 0 0 "[ . 1]" 1
904 1 108 ILE MD 1 144 VAL MG2 5.380 . 5.380 3.580 2.533 4.759 . 0 0 "[ . 1]" 1
905 1 108 ILE MG 1 111 MET ME 5.020 . 5.020 3.515 2.530 4.006 . 0 0 "[ . 1]" 1
906 1 108 ILE MG 1 114 THR MG 7.000 . 7.000 5.995 4.790 7.392 0.392 1 0 "[ . 1]" 1
907 1 108 ILE MG 1 140 LYS QE 5.140 . 5.140 3.995 1.970 5.337 0.197 6 0 "[ . 1]" 1
908 1 108 ILE MG 1 140 LYS QG 5.380 . 5.380 4.394 3.276 5.507 0.127 10 0 "[ . 1]" 1
909 1 108 ILE MG 1 141 LEU QD 5.160 . 5.160 3.331 2.507 3.897 . 0 0 "[ . 1]" 1
910 1 108 ILE MG 1 144 VAL HB 5.130 . 5.130 4.441 3.021 5.162 0.032 4 0 "[ . 1]" 1
911 1 108 ILE MG 1 144 VAL QG 4.070 . 4.070 2.487 1.852 2.938 . 0 0 "[ . 1]" 1
912 1 109 GLN H 1 110 GLU H 6.636 . 6.636 4.085 2.393 4.521 . 0 0 "[ . 1]" 1
913 1 109 GLN H 1 111 MET H 6.675 . 6.675 4.148 3.270 5.293 . 0 0 "[ . 1]" 1
914 1 109 GLN HA 1 110 GLU QG 6.103 . 6.103 4.385 3.580 5.667 . 0 0 "[ . 1]" 1
915 1 109 GLN QB 1 110 GLU QG 5.115 . 5.115 3.583 2.331 5.185 0.070 4 0 "[ . 1]" 1
916 1 109 GLN QG 1 110 GLU QG 4.712 . 4.712 3.922 2.590 4.992 0.280 4 0 "[ . 1]" 1
917 1 110 GLU H 1 111 MET H 4.582 . 4.582 2.465 1.508 3.199 0.292 2 0 "[ . 1]" 1
918 1 110 GLU H 1 113 LYS H 6.740 . 6.740 4.822 3.726 5.673 . 0 0 "[ . 1]" 1
919 1 110 GLU HA 1 111 MET ME 7.000 . 7.000 6.698 5.314 7.317 0.317 6 0 "[ . 1]" 1
920 1 110 GLU HA 1 113 LYS QE 5.680 . 5.680 4.212 2.163 5.227 . 0 0 "[ . 1]" 1
921 1 110 GLU QB 1 111 MET HA 6.740 . 6.740 4.236 3.894 4.803 . 0 0 "[ . 1]" 1
922 1 110 GLU QB 1 111 MET ME 7.000 . 7.000 5.533 3.377 6.425 . 0 0 "[ . 1]" 1
923 1 110 GLU QB 1 113 LYS QE 5.120 . 5.120 4.811 3.959 5.465 0.345 2 0 "[ . 1]" 1
924 1 110 GLU QB 1 114 THR MG 6.584 . 6.584 4.602 3.319 5.889 . 0 0 "[ . 1]" 1
925 1 110 GLU QG 1 114 THR MG 7.000 . 7.000 5.610 3.586 7.136 0.136 6 0 "[ . 1]" 1
926 1 111 MET H 1 112 THR H 4.205 . 4.205 2.801 2.650 2.967 . 0 0 "[ . 1]" 1
927 1 111 MET H 1 113 LYS H 6.090 . 6.090 4.353 3.750 5.048 . 0 0 "[ . 1]" 1
928 1 111 MET H 1 114 THR H 5.160 . 5.160 4.769 4.443 4.956 . 0 0 "[ . 1]" 1
929 1 111 MET HA 1 111 MET ME 5.128 . 5.128 2.895 2.147 3.524 . 0 0 "[ . 1]" 1
930 1 111 MET HA 1 114 THR HB 5.320 . 5.320 3.190 2.316 4.621 . 0 0 "[ . 1]" 1
931 1 111 MET HA 1 140 LYS QE 5.430 . 5.430 3.878 2.362 4.938 . 0 0 "[ . 1]" 1
932 1 111 MET ME 1 114 THR HB 5.270 . 5.270 4.134 3.324 4.876 . 0 0 "[ . 1]" 1
933 1 111 MET ME 1 114 THR MG 4.440 . 4.440 3.755 2.676 4.517 0.077 1 0 "[ . 1]" 1
934 1 111 MET ME 1 137 MET H 7.000 . 7.000 5.816 4.993 6.755 . 0 0 "[ . 1]" 1
935 1 111 MET ME 1 137 MET HA 4.610 . 4.610 3.416 2.723 4.303 . 0 0 "[ . 1]" 1
936 1 111 MET ME 1 140 LYS HD2 4.750 . 4.750 4.145 2.426 4.865 0.115 4 0 "[ . 1]" 1
937 1 111 MET ME 1 140 LYS QD 4.150 . 4.150 3.395 2.183 4.190 0.040 3 0 "[ . 1]" 1
938 1 111 MET ME 1 140 LYS HD3 4.750 . 4.750 3.775 2.237 4.829 0.079 2 0 "[ . 1]" 1
939 1 111 MET ME 1 140 LYS QE 4.490 . 4.490 3.720 2.257 4.261 . 0 0 "[ . 1]" 1
940 1 111 MET ME 1 140 LYS HG2 4.600 . 4.600 3.174 2.322 4.614 0.014 2 0 "[ . 1]" 1
941 1 111 MET ME 1 140 LYS QG 3.960 . 3.960 2.890 2.200 3.933 . 0 0 "[ . 1]" 1
942 1 111 MET ME 1 140 LYS HG3 4.600 . 4.600 3.613 2.505 4.650 0.050 9 0 "[ . 1]" 1
943 1 111 MET ME 1 141 LEU MD1 5.210 . 5.210 2.745 1.926 3.862 . 0 0 "[ . 1]" 1
944 1 111 MET ME 1 141 LEU QD 3.910 . 3.910 2.319 1.919 2.651 . 0 0 "[ . 1]" 1
945 1 111 MET ME 1 141 LEU MD2 5.210 . 5.210 3.104 2.168 4.141 . 0 0 "[ . 1]" 1
946 1 111 MET ME 1 144 VAL QG 6.080 . 6.080 3.927 2.620 4.710 . 0 0 "[ . 1]" 1
947 1 112 THR H 1 113 LYS H 4.725 . 4.725 2.751 2.454 2.961 . 0 0 "[ . 1]" 1
948 1 112 THR H 1 114 THR H 6.857 . 6.857 4.241 3.724 4.696 . 0 0 "[ . 1]" 1
949 1 112 THR HA 1 115 VAL QG 5.570 . 5.570 2.689 2.092 3.798 . 0 0 "[ . 1]" 1
950 1 114 THR H 1 115 VAL H 4.608 . 4.608 2.921 2.709 3.103 . 0 0 "[ . 1]" 1
951 1 114 THR H 1 116 SER H 6.363 . 6.363 4.081 3.883 4.237 . 0 0 "[ . 1]" 1
952 1 114 THR HA 1 117 ASP HB2 6.130 . 6.130 3.350 2.491 3.910 . 0 0 "[ . 1]" 1
953 1 114 THR HA 1 117 ASP HB3 6.130 . 6.130 3.445 2.580 4.445 . 0 0 "[ . 1]" 1
954 1 114 THR MG 1 137 MET HA 4.570 . 4.570 4.668 4.197 4.943 0.373 7 0 "[ . 1]" 1
955 1 114 THR MG 1 140 LYS QB 4.270 . 4.270 3.095 2.607 3.727 . 0 0 "[ . 1]" 1
956 1 114 THR MG 1 140 LYS QD 4.230 . 4.230 2.588 2.090 4.275 0.045 2 0 "[ . 1]" 1
957 1 114 THR MG 1 140 LYS QE 5.350 . 5.350 3.221 2.578 3.810 . 0 0 "[ . 1]" 1
958 1 114 THR MG 1 141 LEU QD 6.300 . 6.300 5.741 5.173 6.369 0.069 6 0 "[ . 1]" 1
959 1 115 VAL H 1 116 SER H 4.439 . 4.439 2.666 2.612 2.745 . 0 0 "[ . 1]" 1
960 1 115 VAL H 1 117 ASP H 6.545 . 6.545 4.101 3.934 4.244 . 0 0 "[ . 1]" 1
961 1 115 VAL HA 1 118 ALA MB 5.000 . 5.000 2.901 2.595 3.144 . 0 0 "[ . 1]" 1
962 1 115 VAL HA 1 133 ILE MG 4.810 . 4.810 3.565 2.912 4.122 . 0 0 "[ . 1]" 1
963 1 115 VAL HB 1 133 ILE MG 5.370 . 5.370 4.489 3.924 4.878 . 0 0 "[ . 1]" 1
964 1 115 VAL HB 1 137 MET ME 5.050 . 5.050 5.118 4.902 5.395 0.345 2 0 "[ . 1]" 1
965 1 115 VAL QG 1 118 ALA MB 4.590 . 4.590 3.356 3.086 3.677 . 0 0 "[ . 1]" 1
966 1 115 VAL QG 1 130 VAL QG 5.380 . 5.380 5.303 5.041 5.715 0.335 10 0 "[ . 1]" 1
967 1 115 VAL QG 1 133 ILE HA 5.680 . 5.680 4.503 4.005 5.529 . 0 0 "[ . 1]" 1
968 1 115 VAL QG 1 133 ILE MD 5.360 . 5.360 4.111 3.475 4.539 . 0 0 "[ . 1]" 1
969 1 115 VAL QG 1 133 ILE MG 3.940 . 3.940 2.295 1.957 2.901 . 0 0 "[ . 1]" 1
970 1 115 VAL QG 1 137 MET ME 4.030 . 4.030 3.131 2.698 3.471 . 0 0 "[ . 1]" 1
971 1 116 SER H 1 117 ASP H 4.725 . 4.725 2.576 2.448 2.699 . 0 0 "[ . 1]" 1
972 1 116 SER H 1 118 ALA H 6.701 . 6.701 4.035 3.918 4.326 . 0 0 "[ . 1]" 1
973 1 117 ASP H 1 118 ALA H 4.543 . 4.543 2.596 2.515 2.694 . 0 0 "[ . 1]" 1
974 1 117 ASP H 1 119 ALA H 5.960 . 5.960 4.209 4.063 4.480 . 0 0 "[ . 1]" 1
975 1 117 ASP HA 1 120 GLU HB2 5.720 . 5.720 3.573 3.015 4.018 . 0 0 "[ . 1]" 1
976 1 117 ASP HA 1 120 GLU QB 4.940 . 4.940 3.449 2.826 3.931 . 0 0 "[ . 1]" 1
977 1 117 ASP HA 1 120 GLU HB3 5.720 . 5.720 4.802 3.094 5.572 . 0 0 "[ . 1]" 1
978 1 117 ASP HA 1 120 GLU HG2 5.760 . 5.760 4.498 2.765 5.785 0.025 8 0 "[ . 1]" 1
979 1 117 ASP HA 1 120 GLU HG3 5.760 . 5.760 4.242 3.160 5.550 . 0 0 "[ . 1]" 1
980 1 117 ASP QB 1 120 GLU QG 5.960 . 5.960 5.286 3.878 6.143 0.183 7 0 "[ . 1]" 1
981 1 118 ALA H 1 119 ALA H 4.296 . 4.296 2.601 2.443 2.849 . 0 0 "[ . 1]" 1
982 1 118 ALA H 1 120 GLU H 5.128 . 5.128 4.175 3.960 4.320 . 0 0 "[ . 1]" 1
983 1 118 ALA HA 1 121 GLU QB 5.910 . 5.910 3.375 2.773 4.504 . 0 0 "[ . 1]" 1
984 1 118 ALA HA 1 133 ILE MD 5.630 . 5.630 4.268 3.866 4.930 . 0 0 "[ . 1]" 1
985 1 118 ALA MB 1 130 VAL QG 5.800 . 5.800 6.100 5.968 6.231 0.431 10 0 "[ . 1]" 1
986 1 118 ALA MB 1 132 GLU HA 6.530 . 6.530 6.466 5.686 6.713 0.183 8 0 "[ . 1]" 1
987 1 118 ALA MB 1 132 GLU QB 4.710 . 4.710 4.665 4.312 4.913 0.203 7 0 "[ . 1]" 1
988 1 118 ALA MB 1 133 ILE HA 4.500 . 4.500 3.407 2.872 3.671 . 0 0 "[ . 1]" 1
989 1 118 ALA MB 1 133 ILE MD 4.850 . 4.850 2.270 1.934 2.962 . 0 0 "[ . 1]" 1
990 1 118 ALA MB 1 133 ILE MG 4.180 . 4.180 2.941 2.237 3.786 . 0 0 "[ . 1]" 1
991 1 118 ALA MB 1 137 MET ME 6.290 . 6.290 6.035 5.619 6.324 0.034 5 0 "[ . 1]" 1
992 1 119 ALA H 1 120 GLU H 4.452 . 4.452 2.699 2.462 3.050 . 0 0 "[ . 1]" 1
993 1 119 ALA H 1 121 GLU H 5.804 . 5.804 5.012 4.170 6.261 0.457 4 0 "[ . 1]" 1
994 1 119 ALA HA 1 133 ILE MD 4.950 . 4.950 3.387 2.852 4.036 . 0 0 "[ . 1]" 1
995 1 119 ALA MB 1 123 PRO HD2 6.155 . 6.155 6.279 5.990 6.508 0.353 4 0 "[ . 1]" 1
996 1 119 ALA MB 1 124 PRO QD 4.990 . 4.990 3.084 2.449 4.100 . 0 0 "[ . 1]" 1
997 1 119 ALA MB 1 124 PRO HG2 6.680 . 6.680 4.269 3.453 5.543 . 0 0 "[ . 1]" 1
998 1 119 ALA MB 1 133 ILE MD 5.970 . 5.970 4.178 3.731 4.618 . 0 0 "[ . 1]" 1
999 1 120 GLU H 1 121 GLU H 4.088 . 4.088 3.164 2.492 3.905 . 0 0 "[ . 1]" 1
1000 1 120 GLU H 1 122 ASN H 5.180 . 5.180 4.546 4.036 5.270 0.090 4 0 "[ . 1]" 1
1001 1 120 GLU QG 1 121 GLU HA 6.610 . 6.610 5.375 3.206 6.230 . 0 0 "[ . 1]" 1
1002 1 121 GLU H 1 122 ASN H 3.932 . 3.932 2.713 1.649 3.978 0.151 3 0 "[ . 1]" 1
1003 1 124 PRO HA 1 130 VAL HA 5.860 . 5.860 4.491 3.855 5.180 . 0 0 "[ . 1]" 1
1004 1 124 PRO HA 1 130 VAL QG 4.160 . 4.160 3.789 3.235 4.306 0.146 9 0 "[ . 1]" 1
1005 1 124 PRO HA 1 133 ILE MD 5.320 . 5.320 4.801 3.856 5.506 0.186 2 0 "[ . 1]" 1
1006 1 124 PRO QB 1 133 ILE MD 5.610 . 5.610 4.043 3.543 4.917 . 0 0 "[ . 1]" 1
1007 1 124 PRO HG2 1 130 VAL QG 5.230 . 5.230 3.580 2.620 4.267 . 0 0 "[ . 1]" 1
1008 1 124 PRO HG2 1 133 ILE HA 7.000 . 7.000 6.772 5.620 7.251 0.251 7 0 "[ . 1]" 1
1009 1 124 PRO HG2 1 133 ILE MD 4.900 . 4.900 3.760 2.686 4.631 . 0 0 "[ . 1]" 1
1010 1 124 PRO HG2 1 133 ILE MG 5.220 . 5.220 4.629 4.160 5.322 0.102 9 0 "[ . 1]" 1
1011 1 125 THR H 1 126 THR H 3.789 . 3.789 2.352 1.776 2.920 0.024 7 0 "[ . 1]" 1
1012 1 126 THR H 1 128 GLN H 7.000 . 7.000 5.002 4.430 5.496 . 0 0 "[ . 1]" 1
1013 1 127 ALA H 1 128 GLN H 4.179 . 4.179 2.684 2.572 2.829 . 0 0 "[ . 1]" 1
1014 1 127 ALA H 1 128 GLN QE 6.363 . 6.363 5.876 5.163 6.362 . 0 0 "[ . 1]" 1
1015 1 127 ALA H 1 129 GLY H 5.674 . 5.674 4.077 3.831 4.321 . 0 0 "[ . 1]" 1
1016 1 127 ALA H 1 130 VAL H 5.000 . 5.000 5.044 4.928 5.152 0.152 1 0 "[ . 1]" 1
1017 1 127 ALA HA 1 130 VAL HB 5.330 . 5.330 3.453 2.856 3.795 . 0 0 "[ . 1]" 1
1018 1 127 ALA HA 1 130 VAL MG1 4.990 . 4.990 4.679 4.238 4.944 . 0 0 "[ . 1]" 1
1019 1 127 ALA HA 1 130 VAL QG 4.050 . 4.050 3.059 2.626 3.372 . 0 0 "[ . 1]" 1
1020 1 127 ALA HA 1 130 VAL MG2 4.990 . 4.990 3.108 2.640 3.462 . 0 0 "[ . 1]" 1
1021 1 127 ALA MB 1 128 GLN HA 6.896 . 6.896 3.819 3.757 3.898 . 0 0 "[ . 1]" 1
1022 1 127 ALA MB 1 129 GLY H 6.857 . 6.857 4.452 4.265 4.681 . 0 0 "[ . 1]" 1
1023 1 127 ALA MB 1 130 VAL H 5.210 . 5.210 4.747 4.582 4.866 . 0 0 "[ . 1]" 1
1024 1 127 ALA MB 1 130 VAL HB 7.000 . 7.000 4.535 4.247 4.714 . 0 0 "[ . 1]" 1
1025 1 127 ALA MB 1 130 VAL QG 6.080 . 6.080 4.141 3.788 4.374 . 0 0 "[ . 1]" 1
1026 1 127 ALA MB 1 131 LEU MD1 6.779 . 6.779 4.273 2.765 5.794 . 0 0 "[ . 1]" 1
1027 1 127 ALA MB 1 131 LEU QD 5.024 . 5.024 3.903 2.742 4.887 . 0 0 "[ . 1]" 1
1028 1 127 ALA MB 1 131 LEU MD2 6.779 . 6.779 5.058 3.847 6.616 . 0 0 "[ . 1]" 1
1029 1 127 ALA MB 1 131 LEU HG 5.921 . 5.921 5.313 3.754 6.024 0.103 1 0 "[ . 1]" 1
1030 1 128 GLN H 1 129 GLY H 4.504 . 4.504 2.563 2.453 2.644 . 0 0 "[ . 1]" 1
1031 1 128 GLN H 1 130 VAL H 7.000 . 7.000 4.253 4.039 4.417 . 0 0 "[ . 1]" 1
1032 1 128 GLN HA 1 131 LEU QD 4.020 . 4.020 2.479 2.120 3.244 . 0 0 "[ . 1]" 1
1033 1 128 GLN QG 1 131 LEU QD 5.310 . 5.310 3.347 2.216 4.357 . 0 0 "[ . 1]" 1
1034 1 129 GLY H 1 130 VAL H 4.127 . 4.127 2.718 2.557 2.832 . 0 0 "[ . 1]" 1
1035 1 129 GLY H 1 130 VAL QG 6.714 . 6.714 4.001 3.734 4.114 . 0 0 "[ . 1]" 1
1036 1 130 VAL H 1 131 LEU H 4.348 . 4.348 2.643 2.547 2.763 . 0 0 "[ . 1]" 1
1037 1 130 VAL H 1 132 GLU H 6.376 . 6.376 4.250 4.061 4.433 . 0 0 "[ . 1]" 1
1038 1 130 VAL HA 1 133 ILE MD 4.780 . 4.780 3.713 2.753 4.346 . 0 0 "[ . 1]" 1
1039 1 130 VAL HA 1 133 ILE MG 6.200 . 6.200 4.463 4.143 5.021 . 0 0 "[ . 1]" 1
1040 1 130 VAL QG 1 131 LEU HA 7.000 . 7.000 3.525 3.430 3.647 . 0 0 "[ . 1]" 1
1041 1 130 VAL QG 1 131 LEU QD 7.000 . 7.000 3.740 2.906 4.643 . 0 0 "[ . 1]" 1
1042 1 130 VAL QG 1 131 LEU HG 6.311 . 6.311 4.661 3.956 5.449 . 0 0 "[ . 1]" 1
1043 1 130 VAL QG 1 133 ILE HA 5.480 . 5.480 5.320 5.120 5.485 0.005 1 0 "[ . 1]" 1
1044 1 130 VAL QG 1 133 ILE MG 3.800 . 3.800 3.742 3.370 3.910 0.110 10 0 "[ . 1]" 1
1045 1 130 VAL QG 1 134 ALA HA 7.000 . 7.000 4.570 4.327 4.822 . 0 0 "[ . 1]" 1
1046 1 130 VAL QG 1 134 ALA MB 5.024 . 5.024 3.064 2.753 3.470 . 0 0 "[ . 1]" 1
1047 1 130 VAL QG 1 137 MET ME 4.090 . 4.090 4.178 4.015 4.350 0.260 4 0 "[ . 1]" 1
1048 1 130 VAL MG1 1 131 LEU HG 7.000 . 7.000 4.892 4.076 5.855 . 0 0 "[ . 1]" 1
1049 1 130 VAL MG1 1 134 ALA MB 5.960 . 5.960 3.083 2.764 3.499 . 0 0 "[ . 1]" 1
1050 1 130 VAL MG2 1 131 LEU HG 7.000 . 7.000 5.938 4.818 6.722 . 0 0 "[ . 1]" 1
1051 1 130 VAL MG2 1 134 ALA MB 5.960 . 5.960 5.373 5.119 5.728 . 0 0 "[ . 1]" 1
1052 1 131 LEU H 1 132 GLU H 4.478 . 4.478 2.750 2.627 2.877 . 0 0 "[ . 1]" 1
1053 1 131 LEU HA 1 134 ALA MB 4.710 . 4.710 2.513 2.369 2.793 . 0 0 "[ . 1]" 1
1054 1 131 LEU QD 1 134 ALA MB 4.450 . 4.450 3.099 2.391 3.702 . 0 0 "[ . 1]" 1
1055 1 131 LEU HG 1 134 ALA MB 5.200 . 5.200 4.401 3.701 5.390 0.190 3 0 "[ . 1]" 1
1056 1 132 GLU H 1 134 ALA H 6.493 . 6.493 4.118 3.951 4.434 . 0 0 "[ . 1]" 1
1057 1 132 GLU HA 1 133 ILE MD 5.661 . 5.661 4.461 4.125 4.770 . 0 0 "[ . 1]" 1
1058 1 132 GLU QB 1 133 ILE HA 6.701 . 6.701 3.933 3.805 4.118 . 0 0 "[ . 1]" 1
1059 1 132 GLU QB 1 133 ILE MG 6.974 . 6.974 4.979 4.828 5.272 . 0 0 "[ . 1]" 1
1060 1 133 ILE H 1 134 ALA H 4.478 . 4.478 2.633 2.410 2.939 . 0 0 "[ . 1]" 1
1061 1 133 ILE H 1 137 MET ME 7.000 . 7.000 6.093 5.798 6.377 . 0 0 "[ . 1]" 1
1062 1 133 ILE HB 1 134 ALA MB 6.675 . 6.675 4.027 3.748 4.222 . 0 0 "[ . 1]" 1
1063 1 133 ILE HB 1 137 MET ME 5.804 . 5.804 4.176 3.685 4.577 . 0 0 "[ . 1]" 1
1064 1 133 ILE MD 1 134 ALA MB 5.908 . 5.908 5.366 5.020 5.524 . 0 0 "[ . 1]" 1
1065 1 133 ILE MD 1 137 MET ME 7.000 . 7.000 5.509 4.938 6.047 . 0 0 "[ . 1]" 1
1066 1 133 ILE MG 1 134 ALA HA 6.584 . 6.584 3.682 3.076 4.108 . 0 0 "[ . 1]" 1
1067 1 133 ILE MG 1 137 MET ME 4.374 . 4.374 2.794 2.183 3.691 . 0 0 "[ . 1]" 1
1068 1 134 ALA H 1 135 LYS H 4.855 . 4.855 2.812 2.665 2.926 . 0 0 "[ . 1]" 1
1069 1 134 ALA H 1 136 LYS H 7.000 . 7.000 4.214 4.027 4.645 . 0 0 "[ . 1]" 1
1070 1 134 ALA H 1 137 MET ME 4.740 . 4.740 4.596 4.008 4.931 0.191 4 0 "[ . 1]" 1
1071 1 134 ALA HA 1 137 MET ME 4.500 . 4.500 3.025 2.416 3.614 . 0 0 "[ . 1]" 1
1072 1 134 ALA MB 1 135 LYS H 6.766 . 6.766 2.394 2.262 2.562 . 0 0 "[ . 1]" 1
1073 1 134 ALA MB 1 137 MET HA 6.120 . 6.120 6.319 6.175 6.446 0.326 2 0 "[ . 1]" 1
1074 1 134 ALA MB 1 137 MET ME 4.070 . 4.070 3.823 3.476 4.232 0.162 8 0 "[ . 1]" 1
1075 1 134 ALA MB 1 138 ARG QG 6.623 . 6.623 5.915 3.641 6.573 . 0 0 "[ . 1]" 1
1076 1 135 LYS H 1 136 LYS H 4.738 . 4.738 2.721 2.598 2.914 . 0 0 "[ . 1]" 1
1077 1 135 LYS H 1 137 MET H 6.311 . 6.311 3.975 3.915 4.026 . 0 0 "[ . 1]" 1
1078 1 135 LYS H 1 137 MET ME 7.000 . 7.000 5.951 5.438 6.354 . 0 0 "[ . 1]" 1
1079 1 135 LYS HA 1 138 ARG QB 5.390 . 5.390 3.183 3.033 3.423 . 0 0 "[ . 1]" 1
1080 1 136 LYS H 1 137 MET H 4.608 . 4.608 2.579 2.484 2.728 . 0 0 "[ . 1]" 1
1081 1 136 LYS H 1 138 ARG H 6.701 . 6.701 4.459 4.283 4.645 . 0 0 "[ . 1]" 1
1082 1 136 LYS H 1 139 GLU H 5.350 . 5.350 4.704 4.547 4.794 . 0 0 "[ . 1]" 1
1083 1 136 LYS HA 1 137 MET QB 6.415 . 6.415 5.374 5.319 5.425 . 0 0 "[ . 1]" 1
1084 1 136 LYS HA 1 139 GLU HB2 5.440 . 5.440 2.975 2.370 3.669 . 0 0 "[ . 1]" 1
1085 1 136 LYS HA 1 139 GLU QB 4.690 . 4.690 2.456 2.351 2.693 . 0 0 "[ . 1]" 1
1086 1 136 LYS HA 1 139 GLU HB3 5.440 . 5.440 3.142 2.403 4.252 . 0 0 "[ . 1]" 1
1087 1 137 MET H 1 138 ARG H 5.037 . 5.037 2.667 2.602 2.764 . 0 0 "[ . 1]" 1
1088 1 137 MET H 1 139 GLU H 6.883 . 6.883 3.832 3.746 3.947 . 0 0 "[ . 1]" 1
1089 1 137 MET HA 1 140 LYS QB 5.510 . 5.510 3.268 2.963 3.571 . 0 0 "[ . 1]" 1
1090 1 137 MET ME 1 141 LEU QD 6.168 . 6.168 4.763 4.319 5.562 . 0 0 "[ . 1]" 1
1091 1 138 ARG H 1 139 GLU H 4.777 . 4.777 2.613 2.559 2.687 . 0 0 "[ . 1]" 1
1092 1 138 ARG H 1 140 LYS H 6.675 . 6.675 4.363 4.043 4.746 . 0 0 "[ . 1]" 1
1093 1 138 ARG HA 1 141 LEU QD 4.710 . 4.710 3.029 2.315 3.418 . 0 0 "[ . 1]" 1
1094 1 138 ARG QG 1 139 GLU QB 6.506 . 6.506 4.936 4.590 5.582 . 0 0 "[ . 1]" 1
1095 1 139 GLU H 1 140 LYS H 4.777 . 4.777 2.709 2.481 2.865 . 0 0 "[ . 1]" 1
1096 1 139 GLU H 1 141 LEU H 6.506 . 6.506 4.160 3.796 4.543 . 0 0 "[ . 1]" 1
1097 1 139 GLU H 1 143 ARG H 7.000 . 7.000 6.464 6.141 6.686 . 0 0 "[ . 1]" 1
1098 1 140 LYS H 1 141 LEU H 4.634 . 4.634 2.658 2.415 2.782 . 0 0 "[ . 1]" 1
1099 1 140 LYS HA 1 143 ARG QB 5.360 . 5.360 3.128 2.542 3.774 . 0 0 "[ . 1]" 1
1100 1 140 LYS QD 1 144 VAL QG 6.142 . 6.142 4.200 2.963 5.516 . 0 0 "[ . 1]" 1
1101 1 140 LYS QE 1 144 VAL QG 5.895 . 5.895 3.888 3.028 4.903 . 0 0 "[ . 1]" 1
1102 1 140 LYS QG 1 143 ARG QB 4.240 . 4.240 3.776 3.043 4.407 0.167 2 0 "[ . 1]" 1
1103 1 140 LYS QG 1 143 ARG QD 5.230 . 5.230 4.551 3.423 5.484 0.254 9 0 "[ . 1]" 1
1104 1 140 LYS QG 1 144 VAL QG 5.388 . 5.388 3.412 2.683 4.732 . 0 0 "[ . 1]" 1
1105 1 141 LEU H 1 142 GLN H 4.907 . 4.907 2.629 2.491 2.853 . 0 0 "[ . 1]" 1
1106 1 141 LEU H 1 143 ARG H 6.454 . 6.454 4.234 3.958 4.526 . 0 0 "[ . 1]" 1
1107 1 141 LEU QD 1 144 VAL QG 4.070 . 4.070 2.789 2.175 3.263 . 0 0 "[ . 1]" 1
1108 1 142 GLN H 1 143 ARG H 4.907 . 4.907 2.618 2.509 2.752 . 0 0 "[ . 1]" 1
1109 1 142 GLN H 1 144 VAL H 6.727 . 6.727 4.052 3.905 4.180 . 0 0 "[ . 1]" 1
1110 1 142 GLN HA 1 144 VAL MG1 7.000 . 7.000 5.741 4.151 6.293 . 0 0 "[ . 1]" 1
1111 1 142 GLN HA 1 144 VAL QG 6.363 . 6.363 4.643 2.776 5.108 . 0 0 "[ . 1]" 1
1112 1 142 GLN HA 1 144 VAL MG2 7.000 . 7.000 5.090 2.811 6.288 . 0 0 "[ . 1]" 1
1113 1 143 ARG H 1 144 VAL H 4.855 . 4.855 2.566 2.509 2.665 . 0 0 "[ . 1]" 1
1114 1 143 ARG H 1 145 HIS H 6.792 . 6.792 4.301 3.940 4.549 . 0 0 "[ . 1]" 1
1115 1 143 ARG HA 1 146 THR HB 5.050 . 5.050 2.460 2.349 3.025 . 0 0 "[ . 1]" 1
1116 1 143 ARG HA 1 146 THR MG 5.070 . 5.070 3.838 3.670 4.404 . 0 0 "[ . 1]" 1
1117 1 143 ARG QB 1 144 VAL QG 4.764 . 4.764 3.180 3.054 3.680 . 0 0 "[ . 1]" 1
1118 1 143 ARG QG 1 146 THR MG 5.660 . 5.660 4.503 3.375 5.217 . 0 0 "[ . 1]" 1
1119 1 144 VAL H 1 145 HIS H 4.803 . 4.803 2.615 2.451 2.718 . 0 0 "[ . 1]" 1
1120 1 144 VAL H 1 146 THR H 7.000 . 7.000 3.792 3.737 4.009 . 0 0 "[ . 1]" 1
1121 1 145 HIS H 1 146 THR H 5.401 . 5.401 2.420 2.376 2.477 . 0 0 "[ . 1]" 1
1122 1 145 HIS H 1 147 LYS H 6.727 . 6.727 4.234 4.034 4.426 . 0 0 "[ . 1]" 1
1123 1 145 HIS HD2 1 146 THR HA 7.000 . 7.000 5.914 2.963 6.928 . 0 0 "[ . 1]" 1
1124 1 146 THR H 1 147 LYS H 4.738 . 4.738 2.611 2.578 2.658 . 0 0 "[ . 1]" 1
1125 1 146 THR HA 1 149 TYR HB2 5.960 . 5.960 3.491 3.180 3.952 . 0 0 "[ . 1]" 1
1126 1 146 THR HA 1 149 TYR QB 5.150 . 5.150 2.556 2.356 2.746 . 0 0 "[ . 1]" 1
1127 1 146 THR HA 1 149 TYR HB3 5.960 . 5.960 2.640 2.392 2.959 . 0 0 "[ . 1]" 1
1128 1 146 THR HA 1 149 TYR QE 6.680 . 6.680 6.159 5.858 6.499 . 0 0 "[ . 1]" 1
1129 1 146 THR MG 1 149 TYR QD 5.800 . 5.800 4.152 3.692 4.527 . 0 0 "[ . 1]" 1
1130 1 147 LYS H 1 148 ASN H 4.803 . 4.803 2.713 2.666 2.792 . 0 0 "[ . 1]" 1
1131 1 147 LYS H 1 149 TYR H 6.103 . 6.103 3.999 3.945 4.092 . 0 0 "[ . 1]" 1
1132 1 148 ASN H 1 149 TYR H 5.102 . 5.102 2.556 2.481 2.622 . 0 0 "[ . 1]" 1
1133 1 148 ASN H 1 150 CYS H 6.519 . 6.519 4.094 3.880 4.339 . 0 0 "[ . 1]" 1
1134 1 149 TYR H 1 150 CYS H 5.323 . 5.323 2.552 2.449 2.704 . 0 0 "[ . 1]" 1
1135 1 149 TYR HA 1 153 LYS QE 5.999 . 5.999 5.389 4.623 6.067 0.068 4 0 "[ . 1]" 1
1136 1 149 TYR HA 1 153 LYS QG 6.402 . 6.402 5.111 3.639 6.489 0.087 2 0 "[ . 1]" 1
1137 1 149 TYR QB 1 153 LYS QG 6.077 . 6.077 5.310 4.381 6.276 0.199 2 0 "[ . 1]" 1
1138 1 149 TYR QD 1 150 CYS H 7.000 . 7.000 3.692 3.042 4.001 . 0 0 "[ . 1]" 1
1139 1 149 TYR QE 1 153 LYS QE 6.168 . 6.168 2.668 2.220 3.871 . 0 0 "[ . 1]" 1
1140 1 150 CYS H 1 151 THR H 5.076 . 5.076 2.512 2.416 2.657 . 0 0 "[ . 1]" 1
1141 1 150 CYS H 1 152 LEU H 6.207 . 6.207 4.182 4.025 4.416 . 0 0 "[ . 1]" 1
1142 1 151 THR HA 1 154 LYS QB 5.230 . 5.230 3.100 2.382 3.431 . 0 0 "[ . 1]" 1
1143 1 151 THR HB 1 152 LEU MD1 6.285 . 6.285 4.816 2.282 5.815 . 0 0 "[ . 1]" 1
1144 1 151 THR HB 1 152 LEU QD 5.154 . 5.154 3.927 2.278 4.977 . 0 0 "[ . 1]" 1
1145 1 151 THR HB 1 152 LEU MD2 6.285 . 6.285 4.840 3.061 6.515 0.230 4 0 "[ . 1]" 1
1146 1 152 LEU HA 1 154 LYS QB 6.207 . 6.207 4.301 3.874 4.781 . 0 0 "[ . 1]" 1
1147 1 152 LEU HA 1 154 LYS QG 5.635 . 5.635 4.908 2.911 5.976 0.341 7 0 "[ . 1]" 1
1148 1 152 LEU QB 1 153 LYS HE2 6.870 . 6.870 5.915 4.332 7.007 0.137 10 0 "[ . 1]" 1
1149 1 152 LEU QB 1 153 LYS QE 5.882 . 5.882 5.028 3.969 5.856 . 0 0 "[ . 1]" 1
1150 1 152 LEU QB 1 153 LYS HE3 6.870 . 6.870 5.621 4.054 6.278 . 0 0 "[ . 1]" 1
1151 1 152 LEU QD 1 153 LYS QB 7.000 . 7.000 5.136 4.891 5.492 . 0 0 "[ . 1]" 1
1152 1 152 LEU QD 1 153 LYS QG 6.103 . 6.103 5.008 3.591 6.083 . 0 0 "[ . 1]" 1
1153 1 152 LEU QD 1 155 LYS QB 6.880 . 6.880 4.529 3.147 5.635 . 0 0 "[ . 1]" 1
1154 1 152 LEU MD1 1 153 LYS QB 7.000 . 7.000 5.752 5.271 6.133 . 0 0 "[ . 1]" 1
1155 1 152 LEU MD1 1 154 LYS QB 7.000 . 7.000 6.049 5.091 7.014 0.014 1 0 "[ . 1]" 1
1156 1 152 LEU MD2 1 153 LYS QB 7.000 . 7.000 5.863 5.271 6.307 . 0 0 "[ . 1]" 1
1157 1 152 LEU MD2 1 154 LYS QB 7.000 . 7.000 5.964 4.956 7.001 0.001 5 0 "[ . 1]" 1
1158 1 153 LYS H 1 154 LYS H 4.491 . 4.491 2.634 2.464 2.694 . 0 0 "[ . 1]" 1
1159 1 154 LYS HA 1 158 SER HA 6.571 . 6.571 5.077 2.348 6.547 . 0 0 "[ . 1]" 1
1160 1 154 LYS QG 1 155 LYS HA 5.063 . 5.063 3.382 2.903 3.668 . 0 0 "[ . 1]" 1
1161 1 154 LYS QG 1 155 LYS QE 5.752 . 5.752 4.973 3.075 6.201 0.449 9 0 "[ . 1]" 1
1162 1 154 LYS QG 1 155 LYS QG 3.685 . 3.685 3.404 2.268 4.119 0.434 5 0 "[ . 1]" 1
1163 1 155 LYS H 1 157 ASN H 5.349 . 5.349 4.198 3.866 4.569 . 0 0 "[ . 1]" 1
1164 1 155 LYS QB 1 158 SER HA 5.650 . 5.650 5.775 5.397 6.148 0.498 9 0 "[ . 1]" 1
1165 1 155 LYS QB 1 158 SER QB 6.210 . 6.210 5.512 4.140 6.507 0.297 8 0 "[ . 1]" 1
1166 1 156 GLU H 1 157 ASN H 5.154 . 5.154 2.702 2.523 2.867 . 0 0 "[ . 1]" 1
1167 1 160 PHE HA 1 163 GLU HG2 5.270 . 5.270 4.903 3.708 5.539 0.269 3 0 "[ . 1]" 1
1168 1 160 PHE HA 1 163 GLU QG 4.600 . 4.600 4.074 2.583 4.629 0.029 10 0 "[ . 1]" 1
1169 1 160 PHE HA 1 163 GLU HG3 5.270 . 5.270 4.475 2.636 5.448 0.178 1 0 "[ . 1]" 1
1170 1 160 PHE QE 1 162 ASP HB2 7.000 . 7.000 6.136 4.173 7.158 0.158 1 0 "[ . 1]" 1
1171 1 160 PHE QE 1 162 ASP QB 6.207 . 6.207 5.464 3.895 6.422 0.215 2 0 "[ . 1]" 1
1172 1 160 PHE QE 1 162 ASP HB3 7.000 . 7.000 6.441 3.975 7.332 0.332 2 0 "[ . 1]" 1
1173 1 166 LYS H 1 167 ASN H 4.517 . 4.517 3.504 2.575 4.588 0.071 10 0 "[ . 1]" 1
1174 1 166 LYS H 1 168 ASN H 7.000 . 7.000 6.202 5.078 6.981 . 0 0 "[ . 1]" 1
1175 1 167 ASN H 1 168 ASN H 5.141 . 5.141 3.731 2.465 4.611 . 0 0 "[ . 1]" 1
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