NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
585140 |
2mbz   |
19421 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbz
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 1628
_Distance_constraint_stats_list.Viol_count 1799
_Distance_constraint_stats_list.Viol_total 1644.862
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0393
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0101
_Distance_constraint_stats_list.Viol_average_violations_only 0.0914
_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 GLY 0.000 0.000 . 0 "[ . 1]"
1 3 ILE 4.602 0.410 7 0 "[ . 1]"
1 4 ASN 1.412 0.410 7 0 "[ . 1]"
1 5 LEU 5.638 0.340 8 0 "[ . 1]"
1 6 THR 0.292 0.120 10 0 "[ . 1]"
1 7 PRO 0.952 0.133 5 0 "[ . 1]"
1 8 GLU 2.360 0.198 4 0 "[ . 1]"
1 9 GLU 4.095 0.464 10 0 "[ . 1]"
1 10 LYS 3.625 0.258 5 0 "[ . 1]"
1 11 PHE 3.241 0.198 4 0 "[ . 1]"
1 12 GLU 4.638 0.235 10 0 "[ . 1]"
1 13 VAL 4.217 0.340 8 0 "[ . 1]"
1 14 PHE 1.989 0.347 2 0 "[ . 1]"
1 15 GLY 0.574 0.117 3 0 "[ . 1]"
1 16 ASP 0.092 0.039 6 0 "[ . 1]"
1 17 PHE 1.528 0.191 6 0 "[ . 1]"
1 18 ASP 0.000 0.000 . 0 "[ . 1]"
1 19 PRO 0.000 0.000 . 0 "[ . 1]"
1 20 ASP 0.168 0.168 10 0 "[ . 1]"
1 21 GLN 0.214 0.095 6 0 "[ . 1]"
1 22 TYR 0.345 0.095 6 0 "[ . 1]"
1 23 GLU 1.029 0.307 10 0 "[ . 1]"
1 24 GLU 0.114 0.114 10 0 "[ . 1]"
1 25 GLU 0.000 0.000 . 0 "[ . 1]"
1 26 VAL 4.063 0.243 10 0 "[ . 1]"
1 27 ARG 0.808 0.235 9 0 "[ . 1]"
1 28 GLU 0.298 0.079 7 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 30 TRP 0.897 0.178 10 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 ASN 0.072 0.030 8 0 "[ . 1]"
1 33 THR 0.872 0.178 10 0 "[ . 1]"
1 34 ASP 1.654 0.253 4 0 "[ . 1]"
1 35 ALA 0.714 0.106 8 0 "[ . 1]"
1 36 TYR 2.498 0.259 10 0 "[ . 1]"
1 37 ARG 2.838 0.253 4 0 "[ . 1]"
1 38 GLN 3.105 0.350 5 0 "[ . 1]"
1 39 SER 1.241 0.106 8 0 "[ . 1]"
1 40 LYS 1.830 0.259 10 0 "[ . 1]"
1 41 GLU 1.284 0.117 4 0 "[ . 1]"
1 42 LYS 3.543 0.437 9 0 "[ . 1]"
1 43 THR 3.861 0.494 7 0 "[ . 1]"
1 44 ALA 2.234 0.494 7 0 "[ . 1]"
1 45 SER 0.000 0.000 . 0 "[ . 1]"
1 46 TYR 3.967 0.167 4 0 "[ . 1]"
1 47 THR 2.552 0.279 4 0 "[ . 1]"
1 48 LYS 5.040 0.464 10 0 "[ . 1]"
1 49 GLU 5.932 0.304 7 0 "[ . 1]"
1 50 ASP 5.684 0.296 3 0 "[ . 1]"
1 51 TRP 7.058 0.304 7 0 "[ . 1]"
1 52 GLN 0.390 0.073 6 0 "[ . 1]"
1 53 ARG 1.056 0.095 9 0 "[ . 1]"
1 54 ILE 1.023 0.135 6 0 "[ . 1]"
1 55 GLN 1.279 0.293 10 0 "[ . 1]"
1 56 ASP 1.099 0.381 2 0 "[ . 1]"
1 57 GLU 1.294 0.381 2 0 "[ . 1]"
1 58 ALA 0.178 0.040 6 0 "[ . 1]"
1 59 ASP 0.896 0.123 10 0 "[ . 1]"
1 60 GLU 1.179 0.129 10 0 "[ . 1]"
1 61 LEU 5.951 0.334 5 0 "[ . 1]"
1 62 THR 5.257 0.236 5 0 "[ . 1]"
1 63 ARG 8.477 0.398 5 0 "[ . 1]"
1 64 ARG 4.944 0.398 5 0 "[ . 1]"
1 65 PHE 3.935 0.397 8 0 "[ . 1]"
1 66 VAL 9.568 0.397 8 0 "[ . 1]"
1 67 ALA 3.689 0.278 2 0 "[ . 1]"
1 68 LEU 4.026 0.273 10 0 "[ . 1]"
1 69 MET 2.862 0.273 10 0 "[ . 1]"
1 70 ASP 1.276 0.219 3 0 "[ . 1]"
1 71 ALA 0.007 0.007 10 0 "[ . 1]"
1 72 GLY 1.944 0.219 3 0 "[ . 1]"
1 73 GLU 1.476 0.121 1 0 "[ . 1]"
1 74 PRO 1.011 0.125 1 0 "[ . 1]"
1 75 ALA 2.586 0.224 8 0 "[ . 1]"
1 76 ASP 0.512 0.102 2 0 "[ . 1]"
1 77 SER 1.618 0.148 5 0 "[ . 1]"
1 78 GLU 1.121 0.094 10 0 "[ . 1]"
1 79 GLY 0.729 0.126 8 0 "[ . 1]"
1 80 ALA 0.830 0.157 10 0 "[ . 1]"
1 81 MET 4.015 0.210 2 0 "[ . 1]"
1 82 ASP 0.000 0.000 . 0 "[ . 1]"
1 83 ALA 2.491 0.134 10 0 "[ . 1]"
1 84 ALA 0.641 0.090 7 0 "[ . 1]"
1 85 GLU 0.243 0.085 5 0 "[ . 1]"
1 86 ASP 1.001 0.133 5 0 "[ . 1]"
1 87 HIS 5.585 0.268 9 0 "[ . 1]"
1 88 ARG 2.035 0.212 3 0 "[ . 1]"
1 89 GLN 0.468 0.188 4 0 "[ . 1]"
1 90 GLY 0.301 0.164 4 0 "[ . 1]"
1 91 ILE 3.264 0.380 6 0 "[ . 1]"
1 92 ALA 0.085 0.026 10 0 "[ . 1]"
1 93 ARG 2.412 0.340 3 0 "[ . 1]"
1 94 ASN 2.673 0.255 1 0 "[ . 1]"
1 95 HIS 0.562 0.178 2 0 "[ . 1]"
1 96 TYR 3.717 0.350 5 0 "[ . 1]"
1 97 ASP 3.246 0.344 6 0 "[ . 1]"
1 98 CYS 1.921 0.380 6 0 "[ . 1]"
1 99 GLY 0.000 0.000 . 0 "[ . 1]"
1 100 TYR 0.704 0.088 10 0 "[ . 1]"
1 101 GLU 0.357 0.050 2 0 "[ . 1]"
1 102 MET 1.818 0.235 2 0 "[ . 1]"
1 103 HIS 1.653 0.235 2 0 "[ . 1]"
1 104 THR 5.174 0.371 6 0 "[ . 1]"
1 105 CYS 0.363 0.050 2 0 "[ . 1]"
1 106 LEU 5.246 0.371 6 0 "[ . 1]"
1 107 GLY 0.560 0.116 5 0 "[ . 1]"
1 108 GLU 0.392 0.105 5 0 "[ . 1]"
1 109 MET 0.000 0.000 . 0 "[ . 1]"
1 110 TYR 2.040 0.279 4 0 "[ . 1]"
1 111 VAL 1.435 0.141 8 0 "[ . 1]"
1 112 SER 0.000 0.000 . 0 "[ . 1]"
1 113 ASP 0.081 0.033 6 0 "[ . 1]"
1 114 GLU 0.229 0.114 5 0 "[ . 1]"
1 115 ARG 0.252 0.114 5 0 "[ . 1]"
1 116 PHE 0.740 0.110 3 0 "[ . 1]"
1 117 THR 3.308 0.203 7 0 "[ . 1]"
1 118 ARG 0.059 0.059 10 0 "[ . 1]"
1 119 ASN 0.223 0.062 2 0 "[ . 1]"
1 120 ILE 4.221 0.203 7 0 "[ . 1]"
1 121 ASP 0.113 0.053 4 0 "[ . 1]"
1 122 ALA 0.000 0.000 . 0 "[ . 1]"
1 123 ALA 0.685 0.131 10 0 "[ . 1]"
1 124 LYS 3.769 0.245 8 0 "[ . 1]"
1 125 PRO 0.006 0.006 10 0 "[ . 1]"
1 126 GLY 0.711 0.131 6 0 "[ . 1]"
1 127 LEU 7.973 0.274 10 0 "[ . 1]"
1 128 ALA 4.281 0.279 4 0 "[ . 1]"
1 129 ALA 0.737 0.141 8 0 "[ . 1]"
1 130 TYR 2.198 0.224 8 0 "[ . 1]"
1 131 MET 1.719 0.168 4 0 "[ . 1]"
1 132 ARG 4.845 0.441 10 0 "[ . 1]"
1 133 ASP 3.944 0.441 10 0 "[ . 1]"
1 134 ALA 0.975 0.221 10 0 "[ . 1]"
1 135 ILE 1.704 0.122 10 0 "[ . 1]"
1 136 LEU 4.405 0.215 5 0 "[ . 1]"
1 137 ALA 1.455 0.169 10 0 "[ . 1]"
1 138 ASN 4.247 0.210 2 0 "[ . 1]"
1 139 ALA 1.402 0.171 9 0 "[ . 1]"
1 140 VAL 0.455 0.053 10 0 "[ . 1]"
1 141 ARG 1.324 0.140 10 0 "[ . 1]"
1 142 HIS 1.402 0.118 5 0 "[ . 1]"
1 143 THR 0.266 0.053 10 0 "[ . 1]"
1 144 PRO 0.000 0.000 . 0 "[ . 1]"
2 3 VAL 5.116 0.393 10 0 "[ . 1]"
2 4 GLY 7.911 0.393 10 0 "[ . 1]"
2 6 ALA 9.501 0.346 8 0 "[ . 1]"
2 8 ALA 7.450 0.346 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY HA3 1 3 ILE H 0.000 . 3.500 2.352 2.157 3.423 . 0 0 "[ . 1]" 1
2 1 2 GLY HA2 1 3 ILE H 0.000 . 3.500 3.083 2.194 3.493 . 0 0 "[ . 1]" 1
3 1 3 ILE HA 1 3 ILE MD 0.000 . 4.500 3.413 2.115 4.142 . 0 0 "[ . 1]" 1
4 1 3 ILE H 1 3 ILE MD 0.000 . 3.500 2.906 1.532 3.649 0.149 7 0 "[ . 1]" 1
5 1 3 ILE H 1 3 ILE HG13 0.000 . 4.500 2.650 1.767 4.442 . 0 0 "[ . 1]" 1
6 1 3 ILE H 1 3 ILE HG12 0.000 . 4.500 3.001 1.733 4.618 0.118 7 0 "[ . 1]" 1
7 1 3 ILE HA 1 4 ASN H 0.000 . 4.400 3.419 2.306 3.583 . 0 0 "[ . 1]" 1
8 1 3 ILE H 1 4 ASN H 0.000 . 4.800 3.131 2.405 4.003 . 0 0 "[ . 1]" 1
9 1 3 ILE HB 1 4 ASN H 0.000 . 4.500 2.696 1.787 4.549 0.049 7 0 "[ . 1]" 1
10 1 3 ILE MD 1 4 ASN H 0.000 . 4.800 3.705 2.029 4.631 . 0 0 "[ . 1]" 1
11 1 3 ILE HG13 1 4 ASN H 0.000 . 4.800 3.655 1.806 4.494 . 0 0 "[ . 1]" 1
12 1 3 ILE HG12 1 4 ASN H 0.000 . 4.800 4.106 1.649 5.210 0.410 7 0 "[ . 1]" 1
13 1 3 ILE HB 1 5 LEU HG 0.000 . 5.000 3.620 2.374 5.087 0.087 7 0 "[ . 1]" 1
14 1 3 ILE MD 1 5 LEU QD 0.000 . 5.000 3.924 3.000 4.740 . 0 0 "[ . 1]" 1
15 1 3 ILE MD 1 5 LEU HG 0.000 . 5.000 4.760 3.937 5.138 0.138 8 0 "[ . 1]" 1
16 1 3 ILE QG 1 5 LEU QD 0.000 . 5.000 3.957 3.040 4.417 . 0 0 "[ . 1]" 1
17 1 3 ILE QG 1 5 LEU HG 0.000 . 5.000 4.500 3.294 5.103 0.103 4 0 "[ . 1]" 1
18 1 3 ILE QG 1 5 LEU H 0.000 . 5.000 4.636 3.109 5.188 0.188 1 0 "[ . 1]" 1
19 1 3 ILE MG 1 5 LEU HG 0.000 . 5.000 2.434 1.986 3.430 . 0 0 "[ . 1]" 1
20 1 3 ILE MG 1 5 LEU HB3 0.000 . 5.000 4.021 3.416 5.056 0.056 6 0 "[ . 1]" 1
21 1 3 ILE MG 1 5 LEU HB2 0.000 . 5.000 2.845 2.102 4.033 . 0 0 "[ . 1]" 1
22 1 3 ILE MD 1 5 LEU MD1 0.000 . 5.000 4.032 3.032 5.011 0.011 8 0 "[ . 1]" 1
23 1 3 ILE MD 1 5 LEU H 0.000 . 5.000 4.728 3.839 5.057 0.057 2 0 "[ . 1]" 1
24 1 3 ILE MD 1 10 LYS HE2 0.000 . 5.000 4.442 2.375 5.173 0.173 7 0 "[ . 1]" 1
25 1 3 ILE MG 1 10 LYS QD 0.000 . 5.000 4.252 3.187 5.258 0.258 5 0 "[ . 1]" 1
26 1 3 ILE MG 1 10 LYS HE3 0.000 . 5.000 4.196 2.266 5.057 0.057 9 0 "[ . 1]" 1
27 1 3 ILE MG 1 10 LYS HE2 0.000 . 5.000 3.788 2.144 5.021 0.021 1 0 "[ . 1]" 1
28 1 3 ILE MD 1 14 PHE QE 0.000 . 5.000 3.945 2.200 5.040 0.040 3 0 "[ . 1]" 1
29 1 3 ILE MD 1 14 PHE HZ 0.000 . 5.000 3.645 1.989 5.044 0.044 3 0 "[ . 1]" 1
30 1 3 ILE MG 1 14 PHE QE 0.000 . 5.000 2.711 2.162 3.306 . 0 0 "[ . 1]" 1
31 1 3 ILE HB 1 14 PHE QE 0.000 . 5.000 4.938 4.360 5.347 0.347 2 0 "[ . 1]" 1
32 1 3 ILE MD 1 51 TRP HE1 0.000 . 5.000 4.603 3.273 5.134 0.134 5 0 "[ . 1]" 1
33 1 3 ILE MG 1 51 TRP HE1 0.000 . 5.000 3.108 2.266 4.136 . 0 0 "[ . 1]" 1
34 1 3 ILE MG 1 51 TRP HZ2 0.000 . 5.000 3.885 2.648 5.091 0.091 8 0 "[ . 1]" 1
35 1 3 ILE HB 1 51 TRP HE1 0.000 . 5.000 4.578 3.933 5.158 0.158 7 0 "[ . 1]" 1
36 1 3 ILE QG 1 51 TRP HE1 0.000 . 5.000 4.008 2.192 5.053 0.053 6 0 "[ . 1]" 1
37 1 4 ASN HB3 1 4 ASN HD22 0.000 . 4.000 3.738 3.427 3.951 . 0 0 "[ . 1]" 1
38 1 4 ASN HB2 1 4 ASN HD22 0.000 . 4.000 3.740 3.433 3.950 . 0 0 "[ . 1]" 1
39 1 4 ASN HA 1 5 LEU HA 0.000 . 5.000 4.443 4.411 4.480 . 0 0 "[ . 1]" 1
40 1 4 ASN H 1 5 LEU H 0.000 . 4.500 3.083 2.829 3.362 . 0 0 "[ . 1]" 1
41 1 4 ASN HA 1 5 LEU H 0.000 . 3.000 2.548 2.387 3.063 0.063 7 0 "[ . 1]" 1
42 1 4 ASN H 1 51 TRP HE1 0.000 . 5.000 5.088 4.985 5.161 0.161 1 0 "[ . 1]" 1
43 1 5 LEU H 1 5 LEU MD2 0.000 . 4.500 3.937 3.684 4.142 . 0 0 "[ . 1]" 1
44 1 5 LEU H 1 5 LEU HG 0.000 . 3.500 3.147 2.874 3.419 . 0 0 "[ . 1]" 1
45 1 5 LEU HA 1 6 THR H 0.000 . 3.300 2.397 2.324 2.445 . 0 0 "[ . 1]" 1
46 1 5 LEU QB 1 6 THR H 0.000 . 5.000 2.379 2.236 2.652 . 0 0 "[ . 1]" 1
47 1 5 LEU QD 1 6 THR H 0.000 . 3.500 3.083 2.688 3.323 . 0 0 "[ . 1]" 1
48 1 5 LEU HB3 1 9 GLU QB 0.000 . 5.000 2.205 1.988 2.611 . 0 0 "[ . 1]" 1
49 1 5 LEU HB2 1 9 GLU QB 0.000 . 5.000 3.647 3.342 4.152 . 0 0 "[ . 1]" 1
50 1 5 LEU MD1 1 9 GLU HB3 0.000 . 5.000 3.008 2.726 3.320 . 0 0 "[ . 1]" 1
51 1 5 LEU MD1 1 9 GLU HB2 0.000 . 5.000 3.760 3.300 4.030 . 0 0 "[ . 1]" 1
52 1 5 LEU MD2 1 9 GLU HB3 0.000 . 5.000 2.722 2.294 3.110 . 0 0 "[ . 1]" 1
53 1 5 LEU MD2 1 9 GLU HB2 0.000 . 5.000 3.229 2.844 3.673 . 0 0 "[ . 1]" 1
54 1 5 LEU MD1 1 9 GLU QG 0.000 . 5.000 4.441 4.117 4.819 . 0 0 "[ . 1]" 1
55 1 5 LEU MD2 1 9 GLU QG 0.000 . 5.000 3.337 2.751 3.792 . 0 0 "[ . 1]" 1
56 1 5 LEU MD1 1 10 LYS HA 0.000 . 5.000 3.043 2.442 3.581 . 0 0 "[ . 1]" 1
57 1 5 LEU MD2 1 10 LYS HA 0.000 . 5.000 5.036 4.846 5.233 0.233 9 0 "[ . 1]" 1
58 1 5 LEU MD1 1 13 VAL HB 0.000 . 5.000 3.315 3.094 3.675 . 0 0 "[ . 1]" 1
59 1 5 LEU MD2 1 13 VAL HB 0.000 . 5.000 5.139 5.021 5.340 0.340 8 0 "[ . 1]" 1
60 1 5 LEU QD 1 13 VAL MG1 0.000 . 5.000 2.921 2.701 3.224 . 0 0 "[ . 1]" 1
61 1 5 LEU MD2 1 13 VAL MG2 0.000 . 5.000 3.555 3.267 3.809 . 0 0 "[ . 1]" 1
62 1 5 LEU MD1 1 13 VAL MG2 0.000 . 5.000 2.584 2.246 2.962 . 0 0 "[ . 1]" 1
63 1 5 LEU MD1 1 14 PHE QE 0.000 . 5.000 2.322 2.053 2.638 . 0 0 "[ . 1]" 1
64 1 5 LEU MD2 1 14 PHE QE 0.000 . 5.000 4.744 4.521 4.975 . 0 0 "[ . 1]" 1
65 1 5 LEU MD1 1 47 THR HA 0.000 . 5.000 4.980 4.533 5.279 0.279 4 0 "[ . 1]" 1
66 1 5 LEU MD2 1 47 THR HA 0.000 . 5.000 3.509 3.012 4.292 . 0 0 "[ . 1]" 1
67 1 5 LEU MD1 1 48 LYS QD 0.000 . 5.000 3.938 2.509 4.838 . 0 0 "[ . 1]" 1
68 1 5 LEU MD2 1 48 LYS QD 0.000 . 5.000 2.789 1.867 3.165 . 0 0 "[ . 1]" 1
69 1 5 LEU MD1 1 48 LYS HA 0.000 . 5.000 2.685 2.197 3.533 . 0 0 "[ . 1]" 1
70 1 5 LEU MD2 1 48 LYS HA 0.000 . 5.000 2.325 2.036 2.966 . 0 0 "[ . 1]" 1
71 1 5 LEU QD 1 48 LYS HB3 0.000 . 5.000 2.825 1.886 3.894 . 0 0 "[ . 1]" 1
72 1 5 LEU QD 1 48 LYS HB2 0.000 . 5.000 2.625 1.884 4.125 . 0 0 "[ . 1]" 1
73 1 5 LEU HA 1 48 LYS QD 0.000 . 5.000 5.048 4.249 5.233 0.233 2 0 "[ . 1]" 1
74 1 5 LEU QB 1 48 LYS QD 0.000 . 5.000 4.400 3.353 5.052 0.052 6 0 "[ . 1]" 1
75 1 5 LEU MD1 1 48 LYS QG 0.000 . 5.000 3.773 2.779 4.639 . 0 0 "[ . 1]" 1
76 1 5 LEU MD2 1 48 LYS QG 0.000 . 5.000 2.802 2.173 3.652 . 0 0 "[ . 1]" 1
77 1 5 LEU QD 1 48 LYS H 0.000 . 5.000 2.755 2.176 3.382 . 0 0 "[ . 1]" 1
78 1 5 LEU QD 1 51 TRP HB3 0.000 . 5.000 3.111 2.859 3.457 . 0 0 "[ . 1]" 1
79 1 5 LEU QD 1 51 TRP HB2 0.000 . 5.000 2.817 2.635 3.285 . 0 0 "[ . 1]" 1
80 1 5 LEU QD 1 51 TRP H 0.000 . 5.000 4.329 4.153 4.743 . 0 0 "[ . 1]" 1
81 1 5 LEU MD1 1 51 TRP HD1 0.000 . 5.000 2.345 2.171 2.515 . 0 0 "[ . 1]" 1
82 1 5 LEU MD2 1 51 TRP HD1 0.000 . 5.000 2.701 2.290 3.366 . 0 0 "[ . 1]" 1
83 1 5 LEU MD1 1 51 TRP HE1 0.000 . 5.000 3.712 3.366 4.180 . 0 0 "[ . 1]" 1
84 1 5 LEU MD2 1 51 TRP HE1 0.000 . 5.000 4.179 3.717 5.009 0.009 4 0 "[ . 1]" 1
85 1 5 LEU HG 1 51 TRP HE1 0.000 . 5.000 3.859 3.452 4.356 . 0 0 "[ . 1]" 1
86 1 5 LEU HG 1 51 TRP HD1 0.000 . 5.000 3.365 2.898 3.724 . 0 0 "[ . 1]" 1
87 1 6 THR H 1 6 THR MG 0.000 . 3.800 2.418 2.257 2.542 . 0 0 "[ . 1]" 1
88 1 6 THR HA 1 7 PRO HA 0.000 . 5.000 4.431 4.412 4.449 . 0 0 "[ . 1]" 1
89 1 6 THR HA 1 7 PRO HD3 0.000 . 3.100 2.447 2.152 2.701 . 0 0 "[ . 1]" 1
90 1 6 THR HA 1 7 PRO HD2 0.000 . 3.100 2.397 2.212 2.722 . 0 0 "[ . 1]" 1
91 1 6 THR HA 1 7 PRO QG 0.000 . 5.000 3.998 3.954 4.037 . 0 0 "[ . 1]" 1
92 1 6 THR HB 1 7 PRO QD 0.000 . 3.400 2.297 2.153 2.549 . 0 0 "[ . 1]" 1
93 1 6 THR HB 1 7 PRO QG 0.000 . 5.000 3.882 3.413 4.429 . 0 0 "[ . 1]" 1
94 1 6 THR MG 1 7 PRO QD 0.000 . 4.200 3.231 3.041 3.326 . 0 0 "[ . 1]" 1
95 1 6 THR MG 1 7 PRO QG 0.000 . 5.000 4.756 4.434 5.006 0.006 3 0 "[ . 1]" 1
96 1 6 THR HA 1 8 GLU H 0.000 . 5.000 4.213 4.104 4.546 . 0 0 "[ . 1]" 1
97 1 6 THR HB 1 8 GLU H 0.000 . 5.000 2.950 2.764 3.218 . 0 0 "[ . 1]" 1
98 1 6 THR MG 1 8 GLU QB 0.000 . 5.000 4.627 4.254 5.120 0.120 10 0 "[ . 1]" 1
99 1 6 THR MG 1 8 GLU H 0.000 . 5.000 4.437 4.333 4.700 . 0 0 "[ . 1]" 1
100 1 6 THR MG 1 9 GLU HB2 0.000 . 5.000 3.844 3.720 3.947 . 0 0 "[ . 1]" 1
101 1 6 THR MG 1 9 GLU QG 0.000 . 5.000 3.318 2.872 3.633 . 0 0 "[ . 1]" 1
102 1 6 THR H 1 9 GLU QG 0.000 . 5.000 3.090 2.654 3.522 . 0 0 "[ . 1]" 1
103 1 6 THR H 1 9 GLU H 0.000 . 5.000 3.576 3.351 3.815 . 0 0 "[ . 1]" 1
104 1 6 THR MG 1 9 GLU HB3 0.000 . 5.000 4.968 4.839 5.025 0.025 4 0 "[ . 1]" 1
105 1 6 THR H 1 9 GLU HB3 0.000 . 5.000 3.486 3.066 3.953 . 0 0 "[ . 1]" 1
106 1 6 THR HB 1 9 GLU H 0.000 . 5.000 3.529 3.251 3.782 . 0 0 "[ . 1]" 1
107 1 6 THR MG 1 9 GLU H 0.000 . 5.000 4.152 4.039 4.293 . 0 0 "[ . 1]" 1
108 1 6 THR H 1 10 LYS H 0.000 . 5.000 3.943 3.660 4.243 . 0 0 "[ . 1]" 1
109 1 7 PRO HA 1 8 GLU H 0.000 . 3.500 3.532 3.517 3.565 0.065 9 0 "[ . 1]" 1
110 1 7 PRO QB 1 8 GLU QG 0.000 . 5.000 4.061 3.023 5.098 0.098 7 0 "[ . 1]" 1
111 1 7 PRO QB 1 8 GLU H 0.000 . 4.900 2.747 2.499 3.014 . 0 0 "[ . 1]" 1
112 1 7 PRO QD 1 8 GLU H 0.000 . 4.100 3.105 2.857 3.229 . 0 0 "[ . 1]" 1
113 1 7 PRO HA 1 9 GLU H 0.000 . 5.000 4.469 4.291 4.669 . 0 0 "[ . 1]" 1
114 1 7 PRO HA 1 10 LYS H 0.000 . 5.000 3.739 3.526 3.959 . 0 0 "[ . 1]" 1
115 1 7 PRO HA 1 10 LYS QG 0.000 . 5.000 3.555 2.067 4.014 . 0 0 "[ . 1]" 1
116 1 7 PRO HA 1 10 LYS HB3 0.000 . 5.000 4.382 4.182 4.694 . 0 0 "[ . 1]" 1
117 1 7 PRO HA 1 10 LYS HB2 0.000 . 5.000 3.025 2.671 4.883 . 0 0 "[ . 1]" 1
118 1 7 PRO HA 1 10 LYS QD 0.000 . 5.000 2.353 2.028 3.853 . 0 0 "[ . 1]" 1
119 1 7 PRO HA 1 10 LYS HE3 0.000 . 5.000 4.428 3.100 5.114 0.114 4 0 "[ . 1]" 1
120 1 7 PRO HA 1 10 LYS HE2 0.000 . 5.000 4.778 3.756 5.133 0.133 5 0 "[ . 1]" 1
121 1 8 GLU QB 1 9 GLU QG 0.000 . 5.000 3.889 3.305 4.365 . 0 0 "[ . 1]" 1
122 1 8 GLU QB 1 9 GLU H 0.000 . 4.800 2.876 2.558 3.490 . 0 0 "[ . 1]" 1
123 1 8 GLU H 1 9 GLU QG 0.000 . 5.000 4.699 4.262 5.127 0.127 8 0 "[ . 1]" 1
124 1 8 GLU H 1 9 GLU H 0.000 . 3.500 2.545 2.486 2.628 . 0 0 "[ . 1]" 1
125 1 8 GLU HA 1 9 GLU H 0.000 . 3.500 3.527 3.506 3.559 0.059 2 0 "[ . 1]" 1
126 1 8 GLU HA 1 11 PHE HB3 0.000 . 5.000 2.652 2.559 2.744 . 0 0 "[ . 1]" 1
127 1 8 GLU HA 1 11 PHE HB2 0.000 . 5.000 3.557 3.349 3.778 . 0 0 "[ . 1]" 1
128 1 8 GLU H 1 11 PHE HB3 0.000 . 5.000 5.123 5.037 5.198 0.198 4 0 "[ . 1]" 1
129 1 8 GLU HA 1 12 GLU H 0.000 . 5.000 4.228 3.995 4.369 . 0 0 "[ . 1]" 1
130 1 9 GLU H 1 9 GLU QG 0.000 . 3.500 2.723 2.225 3.289 . 0 0 "[ . 1]" 1
131 1 9 GLU HA 1 10 LYS H 0.000 . 5.000 3.533 3.515 3.549 . 0 0 "[ . 1]" 1
132 1 9 GLU HB3 1 10 LYS QG 0.000 . 5.000 4.262 3.595 5.013 0.013 9 0 "[ . 1]" 1
133 1 9 GLU HB2 1 10 LYS H 0.000 . 4.500 2.526 2.402 2.711 . 0 0 "[ . 1]" 1
134 1 9 GLU H 1 10 LYS H 0.000 . 3.700 2.607 2.561 2.686 . 0 0 "[ . 1]" 1
135 1 9 GLU H 1 10 LYS QD 0.000 . 4.500 4.538 3.870 4.653 0.153 5 0 "[ . 1]" 1
136 1 9 GLU HB3 1 10 LYS H 0.000 . 3.500 3.313 3.111 3.532 0.032 2 0 "[ . 1]" 1
137 1 9 GLU HA 1 12 GLU QB 0.000 . 5.000 3.005 2.585 4.047 . 0 0 "[ . 1]" 1
138 1 9 GLU HA 1 12 GLU QG 0.000 . 5.000 3.092 1.966 3.710 . 0 0 "[ . 1]" 1
139 1 9 GLU HA 1 12 GLU H 0.000 . 5.000 3.269 3.008 3.656 . 0 0 "[ . 1]" 1
140 1 9 GLU QG 1 12 GLU QB 0.000 . 5.000 4.678 4.290 5.105 0.105 9 0 "[ . 1]" 1
141 1 9 GLU HA 1 13 VAL H 0.000 . 5.000 4.074 3.903 4.349 . 0 0 "[ . 1]" 1
142 1 9 GLU HA 1 48 LYS QD 0.000 . 5.000 4.143 3.021 4.697 . 0 0 "[ . 1]" 1
143 1 9 GLU HA 1 48 LYS HE3 0.000 . 5.000 4.298 2.983 5.193 0.193 5 0 "[ . 1]" 1
144 1 9 GLU HA 1 48 LYS HE2 0.000 . 5.000 4.098 3.314 5.053 0.053 6 0 "[ . 1]" 1
145 1 9 GLU HG3 1 48 LYS QG 0.000 . 5.000 4.733 3.694 5.464 0.464 10 0 "[ . 1]" 1
146 1 9 GLU HG2 1 48 LYS QG 0.000 . 5.000 4.331 3.647 5.283 0.283 1 0 "[ . 1]" 1
147 1 9 GLU HG3 1 48 LYS QD 0.000 . 5.000 3.064 2.097 4.093 . 0 0 "[ . 1]" 1
148 1 9 GLU HG2 1 48 LYS QD 0.000 . 5.000 2.686 1.932 3.650 . 0 0 "[ . 1]" 1
149 1 9 GLU HG3 1 48 LYS QE 0.000 . 5.000 3.471 2.076 4.295 . 0 0 "[ . 1]" 1
150 1 9 GLU HG2 1 48 LYS QE 0.000 . 5.000 3.073 2.211 4.746 . 0 0 "[ . 1]" 1
151 1 10 LYS H 1 10 LYS QD 0.000 . 4.900 3.003 2.240 3.175 . 0 0 "[ . 1]" 1
152 1 10 LYS HA 1 11 PHE H 0.000 . 5.000 3.483 3.470 3.503 . 0 0 "[ . 1]" 1
153 1 10 LYS HB3 1 11 PHE H 0.000 . 4.900 3.844 3.537 4.214 . 0 0 "[ . 1]" 1
154 1 10 LYS HB2 1 11 PHE H 0.000 . 4.800 2.928 2.752 3.916 . 0 0 "[ . 1]" 1
155 1 10 LYS H 1 11 PHE H 0.000 . 4.200 2.666 2.623 2.703 . 0 0 "[ . 1]" 1
156 1 10 LYS QG 1 11 PHE H 0.000 . 4.500 3.979 2.482 4.537 0.037 9 0 "[ . 1]" 1
157 1 10 LYS HA 1 13 VAL HB 0.000 . 5.000 2.498 2.253 2.712 . 0 0 "[ . 1]" 1
158 1 10 LYS HA 1 13 VAL H 0.000 . 5.000 3.474 3.185 3.629 . 0 0 "[ . 1]" 1
159 1 10 LYS HA 1 14 PHE QD 0.000 . 5.000 2.258 2.008 2.330 . 0 0 "[ . 1]" 1
160 1 10 LYS HA 1 14 PHE QE 0.000 . 5.000 3.508 2.585 4.016 . 0 0 "[ . 1]" 1
161 1 10 LYS HA 1 14 PHE H 0.000 . 5.000 2.904 2.594 3.179 . 0 0 "[ . 1]" 1
162 1 10 LYS HB3 1 14 PHE QD 0.000 . 5.000 3.455 2.768 3.850 . 0 0 "[ . 1]" 1
163 1 10 LYS HB2 1 14 PHE QD 0.000 . 5.000 4.459 2.284 5.009 0.009 3 0 "[ . 1]" 1
164 1 10 LYS HG3 1 14 PHE QD 0.000 . 5.000 4.412 3.207 5.015 0.015 4 0 "[ . 1]" 1
165 1 10 LYS HG2 1 14 PHE QD 0.000 . 5.000 4.100 3.435 5.020 0.020 4 0 "[ . 1]" 1
166 1 10 LYS HG3 1 14 PHE QE 0.000 . 5.000 4.808 3.570 5.053 0.053 8 0 "[ . 1]" 1
167 1 10 LYS HG2 1 14 PHE QE 0.000 . 5.000 4.417 3.781 5.127 0.127 8 0 "[ . 1]" 1
168 1 11 PHE HA 1 12 GLU H 0.000 . 5.000 3.533 3.516 3.557 . 0 0 "[ . 1]" 1
169 1 11 PHE HB3 1 12 GLU H 0.000 . 3.500 2.625 2.587 2.662 . 0 0 "[ . 1]" 1
170 1 11 PHE HB2 1 12 GLU H 0.000 . 3.800 3.949 3.921 3.987 0.187 9 0 "[ . 1]" 1
171 1 11 PHE H 1 13 VAL H 0.000 . 5.000 3.600 3.525 3.747 . 0 0 "[ . 1]" 1
172 1 11 PHE HB3 1 13 VAL H 0.000 . 5.000 4.687 4.624 4.758 . 0 0 "[ . 1]" 1
173 1 11 PHE HA 1 15 GLY QA 0.000 . 5.000 3.137 2.275 3.808 . 0 0 "[ . 1]" 1
174 1 11 PHE HA 1 15 GLY H 0.000 . 5.000 2.854 2.193 3.271 . 0 0 "[ . 1]" 1
175 1 11 PHE QD 1 15 GLY HA3 0.000 . 5.000 4.464 3.603 4.883 . 0 0 "[ . 1]" 1
176 1 11 PHE QD 1 15 GLY HA2 0.000 . 5.000 3.312 2.368 4.033 . 0 0 "[ . 1]" 1
177 1 11 PHE QE 1 15 GLY HA3 0.000 . 5.000 4.882 4.329 5.117 0.117 3 0 "[ . 1]" 1
178 1 11 PHE QE 1 15 GLY HA2 0.000 . 5.000 3.958 3.552 4.319 . 0 0 "[ . 1]" 1
179 1 11 PHE HA 1 15 GLY HA3 0.000 . 5.000 4.428 3.695 4.857 . 0 0 "[ . 1]" 1
180 1 11 PHE HA 1 15 GLY HA2 0.000 . 5.000 3.219 2.297 3.980 . 0 0 "[ . 1]" 1
181 1 11 PHE QD 1 16 ASP HA 0.000 . 5.000 2.641 2.332 3.395 . 0 0 "[ . 1]" 1
182 1 11 PHE QE 1 16 ASP HA 0.000 . 5.000 4.104 3.585 4.802 . 0 0 "[ . 1]" 1
183 1 12 GLU H 1 12 GLU HG3 0.000 . 3.000 2.509 2.168 3.196 0.196 1 0 "[ . 1]" 1
184 1 12 GLU H 1 12 GLU HG2 0.000 . 3.000 2.783 1.809 3.150 0.150 8 0 "[ . 1]" 1
185 1 12 GLU HA 1 13 VAL H 0.000 . 5.000 3.415 3.399 3.428 . 0 0 "[ . 1]" 1
186 1 12 GLU QB 1 13 VAL MG2 0.000 . 5.000 2.810 2.624 3.627 . 0 0 "[ . 1]" 1
187 1 12 GLU QB 1 13 VAL H 0.000 . 4.600 3.068 2.948 3.665 . 0 0 "[ . 1]" 1
188 1 12 GLU QG 1 13 VAL MG2 0.000 . 4.700 4.102 2.029 4.479 . 0 0 "[ . 1]" 1
189 1 12 GLU H 1 13 VAL H 0.000 . 4.200 2.455 2.413 2.497 . 0 0 "[ . 1]" 1
190 1 12 GLU H 1 13 VAL QG 0.000 . 3.500 3.685 3.644 3.735 0.235 10 0 "[ . 1]" 1
191 1 12 GLU H 1 14 PHE H 0.000 . 5.000 4.584 4.455 4.645 . 0 0 "[ . 1]" 1
192 1 12 GLU H 1 15 GLY H 0.000 . 5.000 4.516 4.399 4.620 . 0 0 "[ . 1]" 1
193 1 13 VAL H 1 13 VAL MG2 0.000 . 4.100 2.355 2.288 2.439 . 0 0 "[ . 1]" 1
194 1 13 VAL HB 1 14 PHE H 0.000 . 4.400 2.259 2.098 2.412 . 0 0 "[ . 1]" 1
195 1 13 VAL MG1 1 14 PHE HA 0.000 . 5.000 3.516 3.418 3.665 . 0 0 "[ . 1]" 1
196 1 13 VAL MG1 1 14 PHE H 0.000 . 5.000 3.127 2.980 3.269 . 0 0 "[ . 1]" 1
197 1 13 VAL MG2 1 14 PHE H 0.000 . 5.000 3.722 3.637 3.812 . 0 0 "[ . 1]" 1
198 1 13 VAL H 1 14 PHE H 0.000 . 4.100 2.579 2.542 2.612 . 0 0 "[ . 1]" 1
199 1 13 VAL HB 1 14 PHE QD 0.000 . 3.800 2.380 2.179 2.883 . 0 0 "[ . 1]" 1
200 1 13 VAL HB 1 14 PHE QE 0.000 . 4.000 3.450 3.169 3.747 . 0 0 "[ . 1]" 1
201 1 13 VAL MG1 1 14 PHE QD 0.000 . 4.500 2.770 2.321 3.392 . 0 0 "[ . 1]" 1
202 1 13 VAL MG1 1 14 PHE QE 0.000 . 4.200 2.722 2.276 3.321 . 0 0 "[ . 1]" 1
203 1 13 VAL MG2 1 14 PHE QD 0.000 . 4.500 3.929 3.759 4.318 . 0 0 "[ . 1]" 1
204 1 13 VAL MG2 1 14 PHE QE 0.000 . 4.200 4.101 3.808 4.262 0.062 2 0 "[ . 1]" 1
205 1 13 VAL H 1 14 PHE QD 0.000 . 4.500 4.078 3.937 4.387 . 0 0 "[ . 1]" 1
206 1 13 VAL HB 1 15 GLY H 0.000 . 5.000 4.393 4.222 4.491 . 0 0 "[ . 1]" 1
207 1 13 VAL MG2 1 48 LYS HA 0.000 . 5.000 3.574 3.034 4.284 . 0 0 "[ . 1]" 1
208 1 13 VAL MG2 1 48 LYS QD 0.000 . 5.000 3.436 2.131 4.431 . 0 0 "[ . 1]" 1
209 1 13 VAL MG2 1 48 LYS HE3 0.000 . 5.000 3.624 2.017 4.871 . 0 0 "[ . 1]" 1
210 1 13 VAL MG2 1 48 LYS HE2 0.000 . 5.000 3.423 2.282 4.710 . 0 0 "[ . 1]" 1
211 1 13 VAL MG2 1 48 LYS HG3 0.000 . 5.000 3.539 2.123 4.496 . 0 0 "[ . 1]" 1
212 1 13 VAL MG2 1 48 LYS HG2 0.000 . 5.000 4.124 2.920 5.040 0.040 6 0 "[ . 1]" 1
213 1 13 VAL MG1 1 51 TRP HB3 0.000 . 5.000 2.241 2.056 2.964 . 0 0 "[ . 1]" 1
214 1 13 VAL MG1 1 51 TRP HB2 0.000 . 5.000 2.745 2.241 3.552 . 0 0 "[ . 1]" 1
215 1 13 VAL MG2 1 51 TRP HB3 0.000 . 5.000 4.026 3.741 4.458 . 0 0 "[ . 1]" 1
216 1 13 VAL MG2 1 51 TRP HB2 0.000 . 5.000 3.753 3.396 4.296 . 0 0 "[ . 1]" 1
217 1 13 VAL MG1 1 52 GLN HA 0.000 . 5.000 2.320 2.080 2.763 . 0 0 "[ . 1]" 1
218 1 13 VAL MG1 1 55 GLN QB 0.000 . 5.000 3.212 2.905 3.560 . 0 0 "[ . 1]" 1
219 1 13 VAL MG2 1 55 GLN QB 0.000 . 5.000 5.078 4.953 5.293 0.293 10 0 "[ . 1]" 1
220 1 14 PHE H 1 14 PHE QD 0.000 . 4.600 2.160 2.046 2.388 . 0 0 "[ . 1]" 1
221 1 14 PHE H 1 15 GLY H 0.000 . 5.000 2.389 2.116 2.607 . 0 0 "[ . 1]" 1
222 1 14 PHE H 1 15 GLY QA 0.000 . 4.500 4.312 4.120 4.434 . 0 0 "[ . 1]" 1
223 1 14 PHE HA 1 15 GLY H 0.000 . 4.000 3.358 3.243 3.497 . 0 0 "[ . 1]" 1
224 1 14 PHE HB3 1 15 GLY H 0.000 . 4.500 4.143 3.876 4.340 . 0 0 "[ . 1]" 1
225 1 14 PHE HB2 1 15 GLY H 0.000 . 4.500 3.349 2.874 3.697 . 0 0 "[ . 1]" 1
226 1 14 PHE HB3 1 17 PHE HB3 0.000 . 5.000 2.450 2.161 2.866 . 0 0 "[ . 1]" 1
227 1 14 PHE HB3 1 17 PHE HB2 0.000 . 5.000 3.696 2.478 4.549 . 0 0 "[ . 1]" 1
228 1 14 PHE HB2 1 17 PHE HB2 0.000 . 5.000 4.451 3.011 5.058 0.058 2 0 "[ . 1]" 1
229 1 14 PHE QB 1 17 PHE QD 0.000 . 5.000 2.797 2.169 4.088 . 0 0 "[ . 1]" 1
230 1 14 PHE QB 1 17 PHE H 0.000 . 5.000 3.151 2.359 3.694 . 0 0 "[ . 1]" 1
231 1 15 GLY H 1 16 ASP H 0.000 . 5.000 3.894 3.004 4.646 . 0 0 "[ . 1]" 1
232 1 15 GLY QA 1 16 ASP HA 0.000 . 4.500 4.088 3.932 4.234 . 0 0 "[ . 1]" 1
233 1 15 GLY HA3 1 16 ASP H 0.000 . 3.500 2.709 2.188 3.319 . 0 0 "[ . 1]" 1
234 1 15 GLY HA2 1 16 ASP H 0.000 . 3.500 2.926 2.104 3.539 0.039 6 0 "[ . 1]" 1
235 1 15 GLY QA 1 17 PHE H 0.000 . 5.000 4.111 3.737 4.677 . 0 0 "[ . 1]" 1
236 1 16 ASP H 1 17 PHE H 0.000 . 3.900 3.099 2.352 3.468 . 0 0 "[ . 1]" 1
237 1 16 ASP HA 1 17 PHE H 0.000 . 3.500 2.619 2.570 2.670 . 0 0 "[ . 1]" 1
238 1 17 PHE HA 1 18 ASP H 0.000 . 3.400 2.197 2.161 2.258 . 0 0 "[ . 1]" 1
239 1 17 PHE QD 1 18 ASP H 0.000 . 5.000 3.451 3.211 3.753 . 0 0 "[ . 1]" 1
240 1 17 PHE QD 1 18 ASP HA 0.000 . 5.000 4.795 4.551 4.978 . 0 0 "[ . 1]" 1
241 1 17 PHE QD 1 119 ASN HD22 0.000 . 5.000 3.377 2.137 4.555 . 0 0 "[ . 1]" 1
242 1 17 PHE QD 1 119 ASN HD21 0.000 . 5.000 3.900 2.670 5.014 0.014 1 0 "[ . 1]" 1
243 1 17 PHE QE 1 119 ASN HD22 0.000 . 5.000 3.623 2.614 4.976 . 0 0 "[ . 1]" 1
244 1 17 PHE QE 1 119 ASN HD21 0.000 . 5.000 3.680 2.544 4.597 . 0 0 "[ . 1]" 1
245 1 18 ASP HA 1 19 PRO HA 0.000 . 4.800 4.590 4.414 4.674 . 0 0 "[ . 1]" 1
246 1 20 ASP H 1 21 GLN H 0.000 . 3.500 2.888 2.686 2.973 . 0 0 "[ . 1]" 1
247 1 20 ASP HB3 1 21 GLN H 0.000 . 4.500 3.762 2.742 4.370 . 0 0 "[ . 1]" 1
248 1 20 ASP HB2 1 21 GLN H 0.000 . 4.500 3.872 3.245 4.345 . 0 0 "[ . 1]" 1
249 1 20 ASP HA 1 23 GLU HB3 0.000 . 5.000 2.778 2.303 3.851 . 0 0 "[ . 1]" 1
250 1 20 ASP HA 1 23 GLU HB2 0.000 . 5.000 3.301 2.274 4.167 . 0 0 "[ . 1]" 1
251 1 20 ASP HA 1 23 GLU HA 0.000 . 5.000 4.436 3.930 5.168 0.168 10 0 "[ . 1]" 1
252 1 21 GLN HA 1 22 TYR HA 0.000 . 4.800 4.587 4.511 4.733 . 0 0 "[ . 1]" 1
253 1 21 GLN HB3 1 22 TYR QD 0.000 . 5.000 3.027 2.219 3.964 . 0 0 "[ . 1]" 1
254 1 21 GLN HB2 1 22 TYR QD 0.000 . 5.000 2.907 2.121 3.955 . 0 0 "[ . 1]" 1
255 1 21 GLN H 1 22 TYR QD 0.000 . 4.500 4.127 3.457 4.595 0.095 6 0 "[ . 1]" 1
256 1 22 TYR HB3 1 26 VAL QG 0.000 . 5.000 3.217 2.228 5.021 0.021 8 0 "[ . 1]" 1
257 1 22 TYR HB2 1 26 VAL QG 0.000 . 5.000 3.366 2.211 5.088 0.088 10 0 "[ . 1]" 1
258 1 22 TYR QD 1 26 VAL QG 0.000 . 5.000 4.208 2.613 5.012 0.012 6 0 "[ . 1]" 1
259 1 23 GLU HA 1 24 GLU H 0.000 . 4.000 3.561 3.485 3.589 . 0 0 "[ . 1]" 1
260 1 23 GLU HG3 1 24 GLU H 0.000 . 3.500 2.709 1.500 3.614 0.114 10 0 "[ . 1]" 1
261 1 23 GLU H 1 24 GLU H 0.000 . 3.500 3.054 2.582 3.225 . 0 0 "[ . 1]" 1
262 1 23 GLU HA 1 26 VAL MG1 0.000 . 5.000 4.868 3.912 5.084 0.084 1 0 "[ . 1]" 1
263 1 23 GLU HA 1 26 VAL MG2 0.000 . 5.000 3.002 2.224 4.032 . 0 0 "[ . 1]" 1
264 1 24 GLU H 1 25 GLU H 0.000 . 3.500 2.568 2.424 2.839 . 0 0 "[ . 1]" 1
265 1 25 GLU H 1 26 VAL H 0.000 . 4.500 2.699 2.498 2.823 . 0 0 "[ . 1]" 1
266 1 26 VAL H 1 26 VAL MG1 0.000 . 3.500 3.585 2.522 3.743 0.243 10 0 "[ . 1]" 1
267 1 26 VAL HA 1 27 ARG H 0.000 . 4.500 3.563 3.415 3.614 . 0 0 "[ . 1]" 1
268 1 26 VAL HB 1 27 ARG H 0.000 . 3.000 2.545 2.121 3.061 0.061 2 0 "[ . 1]" 1
269 1 26 VAL MG1 1 27 ARG H 0.000 . 4.500 3.283 2.607 4.012 . 0 0 "[ . 1]" 1
270 1 26 VAL MG2 1 27 ARG H 0.000 . 4.500 3.567 1.677 4.193 . 0 0 "[ . 1]" 1
271 1 26 VAL H 1 27 ARG H 0.000 . 3.500 2.867 2.535 3.031 . 0 0 "[ . 1]" 1
272 1 26 VAL QG 1 30 TRP HZ2 0.000 . 5.000 3.077 2.124 4.030 . 0 0 "[ . 1]" 1
273 1 26 VAL QG 1 30 TRP HD1 0.000 . 5.000 4.492 2.341 5.091 0.091 2 0 "[ . 1]" 1
274 1 26 VAL QG 1 30 TRP HE3 0.000 . 5.000 4.208 2.690 5.158 0.158 10 0 "[ . 1]" 1
275 1 26 VAL HB 1 36 TYR QE 0.000 . 5.000 4.695 4.254 5.016 0.016 2 0 "[ . 1]" 1
276 1 26 VAL MG1 1 36 TYR QE 0.000 . 5.000 4.328 3.412 5.042 0.042 2 0 "[ . 1]" 1
277 1 26 VAL MG2 1 36 TYR QE 0.000 . 5.000 4.720 3.042 5.134 0.134 7 0 "[ . 1]" 1
278 1 26 VAL QG 1 36 TYR QD 0.000 . 5.000 4.472 4.047 4.948 . 0 0 "[ . 1]" 1
279 1 27 ARG H 1 27 ARG QD 0.000 . 4.500 3.943 3.179 4.574 0.074 10 0 "[ . 1]" 1
280 1 27 ARG H 1 27 ARG QG 0.000 . 4.500 2.637 1.880 3.994 . 0 0 "[ . 1]" 1
281 1 27 ARG H 1 28 GLU H 0.000 . 5.000 2.800 2.359 2.959 . 0 0 "[ . 1]" 1
282 1 27 ARG QB 1 28 GLU H 0.000 . 3.500 3.214 2.490 3.579 0.079 7 0 "[ . 1]" 1
283 1 27 ARG QB 1 36 TYR QE 0.000 . 5.000 3.751 2.706 5.235 0.235 9 0 "[ . 1]" 1
284 1 28 GLU HB3 1 29 ARG H 0.000 . 4.500 2.999 2.665 3.832 . 0 0 "[ . 1]" 1
285 1 28 GLU QB 1 29 ARG H 0.000 . 3.500 2.764 2.627 2.856 . 0 0 "[ . 1]" 1
286 1 28 GLU H 1 29 ARG H 0.000 . 4.500 2.649 2.535 2.789 . 0 0 "[ . 1]" 1
287 1 30 TRP HD1 1 33 THR MG 0.000 . 5.000 3.939 2.155 5.178 0.178 10 0 "[ . 1]" 1
288 1 30 TRP HZ2 1 33 THR MG 0.000 . 5.000 4.614 3.510 5.060 0.060 4 0 "[ . 1]" 1
289 1 31 GLY QA 1 32 ASN H 0.000 . 5.000 2.829 2.610 2.944 . 0 0 "[ . 1]" 1
290 1 31 GLY H 1 32 ASN H 0.000 . 3.500 2.997 2.704 3.292 . 0 0 "[ . 1]" 1
291 1 32 ASN H 1 32 ASN QD 0.000 . 4.800 4.477 3.489 4.830 0.030 8 0 "[ . 1]" 1
292 1 32 ASN HA 1 32 ASN QD 0.000 . 4.500 3.298 1.842 4.199 . 0 0 "[ . 1]" 1
293 1 32 ASN HA 1 33 THR H 0.000 . 5.000 3.291 3.133 3.424 . 0 0 "[ . 1]" 1
294 1 32 ASN H 1 33 THR MG 0.000 . 5.000 2.913 2.376 3.465 . 0 0 "[ . 1]" 1
295 1 32 ASN H 1 33 THR H 0.000 . 5.000 1.861 1.655 2.148 . 0 0 "[ . 1]" 1
296 1 33 THR HA 1 34 ASP H 0.000 . 4.700 2.140 2.029 2.283 . 0 0 "[ . 1]" 1
297 1 33 THR HB 1 34 ASP H 0.000 . 4.800 3.193 2.674 3.489 . 0 0 "[ . 1]" 1
298 1 33 THR MG 1 34 ASP H 0.000 . 4.000 4.024 3.935 4.075 0.075 8 0 "[ . 1]" 1
299 1 33 THR HB 1 35 ALA MB 0.000 . 5.000 3.903 3.438 4.294 . 0 0 "[ . 1]" 1
300 1 33 THR HB 1 35 ALA H 0.000 . 5.000 3.629 3.115 4.073 . 0 0 "[ . 1]" 1
301 1 33 THR MG 1 35 ALA MB 0.000 . 5.000 4.529 4.181 4.993 . 0 0 "[ . 1]" 1
302 1 33 THR HA 1 35 ALA H 0.000 . 5.000 3.808 3.325 4.171 . 0 0 "[ . 1]" 1
303 1 33 THR MG 1 35 ALA H 0.000 . 5.000 4.754 4.574 5.076 0.076 8 0 "[ . 1]" 1
304 1 33 THR HB 1 36 TYR H 0.000 . 5.000 2.985 2.407 3.629 . 0 0 "[ . 1]" 1
305 1 33 THR HA 1 36 TYR H 0.000 . 5.000 4.403 3.851 5.017 0.017 10 0 "[ . 1]" 1
306 1 34 ASP HA 1 35 ALA H 0.000 . 5.000 3.528 3.482 3.547 . 0 0 "[ . 1]" 1
307 1 34 ASP QB 1 35 ALA HA 0.000 . 5.000 4.178 3.811 4.356 . 0 0 "[ . 1]" 1
308 1 34 ASP QB 1 35 ALA MB 0.000 . 5.000 4.407 3.852 4.723 . 0 0 "[ . 1]" 1
309 1 34 ASP QB 1 35 ALA H 0.000 . 4.100 3.169 2.548 3.522 . 0 0 "[ . 1]" 1
310 1 34 ASP H 1 35 ALA H 0.000 . 4.600 2.159 1.803 2.674 . 0 0 "[ . 1]" 1
311 1 34 ASP HA 1 36 TYR HB3 0.000 . 5.000 4.593 4.318 4.871 . 0 0 "[ . 1]" 1
312 1 34 ASP HA 1 36 TYR H 0.000 . 5.000 4.179 3.879 4.463 . 0 0 "[ . 1]" 1
313 1 34 ASP HA 1 37 ARG QB 0.000 . 5.000 3.224 3.022 3.875 . 0 0 "[ . 1]" 1
314 1 34 ASP HA 1 37 ARG HE 0.000 . 5.000 4.394 3.620 5.033 0.033 2 0 "[ . 1]" 1
315 1 34 ASP HA 1 37 ARG QG 0.000 . 5.000 4.958 4.027 5.253 0.253 4 0 "[ . 1]" 1
316 1 34 ASP QB 1 37 ARG QB 0.000 . 5.000 3.985 3.529 4.915 . 0 0 "[ . 1]" 1
317 1 34 ASP HA 1 37 ARG H 0.000 . 5.000 3.454 3.291 3.946 . 0 0 "[ . 1]" 1
318 1 35 ALA MB 1 36 TYR H 0.000 . 5.000 2.685 2.538 3.053 . 0 0 "[ . 1]" 1
319 1 35 ALA H 1 36 TYR H 0.000 . 5.000 2.736 2.612 2.964 . 0 0 "[ . 1]" 1
320 1 35 ALA HA 1 38 GLN QG 0.000 . 5.000 3.109 2.143 4.294 . 0 0 "[ . 1]" 1
321 1 35 ALA HA 1 38 GLN HB3 0.000 . 5.000 4.402 3.466 4.738 . 0 0 "[ . 1]" 1
322 1 35 ALA HA 1 38 GLN HB2 0.000 . 5.000 3.356 1.858 4.927 . 0 0 "[ . 1]" 1
323 1 35 ALA H 1 38 GLN HE21 0.000 . 5.000 4.412 3.865 5.015 0.015 5 0 "[ . 1]" 1
324 1 35 ALA H 1 38 GLN HE22 0.000 . 5.000 4.738 3.954 5.070 0.070 3 0 "[ . 1]" 1
325 1 35 ALA HA 1 39 SER H 0.000 . 5.000 4.243 3.909 4.438 . 0 0 "[ . 1]" 1
326 1 35 ALA HA 1 39 SER QB 0.000 . 5.000 4.956 4.490 5.106 0.106 8 0 "[ . 1]" 1
327 1 35 ALA MB 1 96 TYR HB2 0.000 . 5.000 4.062 3.276 5.020 0.020 9 0 "[ . 1]" 1
328 1 35 ALA MB 1 96 TYR HB3 0.000 . 5.000 4.310 3.690 5.010 0.010 1 0 "[ . 1]" 1
329 1 35 ALA HA 1 96 TYR QD 0.000 . 5.000 4.198 3.894 4.784 . 0 0 "[ . 1]" 1
330 1 35 ALA MB 1 96 TYR QD 0.000 . 5.000 2.940 2.461 3.530 . 0 0 "[ . 1]" 1
331 1 36 TYR QD 1 37 ARG HA 0.000 . 5.000 4.059 3.708 4.412 . 0 0 "[ . 1]" 1
332 1 36 TYR H 1 37 ARG H 0.000 . 5.000 2.817 2.698 2.911 . 0 0 "[ . 1]" 1
333 1 36 TYR QD 1 37 ARG H 0.000 . 4.500 4.204 3.714 4.434 . 0 0 "[ . 1]" 1
334 1 36 TYR HA 1 39 SER H 0.000 . 5.000 3.348 3.125 3.817 . 0 0 "[ . 1]" 1
335 1 36 TYR QE 1 40 LYS QG 0.000 . 5.000 4.780 3.522 5.043 0.043 9 0 "[ . 1]" 1
336 1 36 TYR QE 1 40 LYS QB 0.000 . 5.000 3.966 3.513 5.259 0.259 10 0 "[ . 1]" 1
337 1 36 TYR QE 1 40 LYS HE3 0.000 . 5.000 4.041 2.138 5.040 0.040 5 0 "[ . 1]" 1
338 1 36 TYR QE 1 40 LYS HE2 0.000 . 5.000 3.830 2.240 5.005 0.005 3 0 "[ . 1]" 1
339 1 37 ARG QB 1 38 GLN QB 0.000 . 5.000 4.363 3.968 5.088 0.088 2 0 "[ . 1]" 1
340 1 37 ARG QB 1 38 GLN H 0.000 . 3.500 2.549 2.187 3.300 . 0 0 "[ . 1]" 1
341 1 37 ARG H 1 38 GLN H 0.000 . 4.500 2.598 2.396 2.787 . 0 0 "[ . 1]" 1
342 1 37 ARG QB 1 39 SER H 0.000 . 5.000 4.543 4.298 5.040 0.040 8 0 "[ . 1]" 1
343 1 37 ARG QG 1 39 SER H 0.000 . 5.000 4.872 4.226 5.086 0.086 6 0 "[ . 1]" 1
344 1 37 ARG HA 1 40 LYS QB 0.000 . 5.000 3.807 2.834 4.350 . 0 0 "[ . 1]" 1
345 1 37 ARG QG 1 40 LYS QG 0.000 . 5.000 4.270 3.608 5.103 0.103 6 0 "[ . 1]" 1
346 1 37 ARG QG 1 41 GLU QG 0.000 . 5.000 4.829 4.023 5.117 0.117 4 0 "[ . 1]" 1
347 1 37 ARG QG 1 41 GLU H 0.000 . 5.000 4.788 4.268 5.075 0.075 2 0 "[ . 1]" 1
348 1 38 GLN QB 1 39 SER HA 0.000 . 5.000 3.932 3.644 4.207 . 0 0 "[ . 1]" 1
349 1 38 GLN QB 1 39 SER H 0.000 . 5.000 2.969 2.581 3.490 . 0 0 "[ . 1]" 1
350 1 38 GLN H 1 39 SER QB 0.000 . 4.500 4.410 4.247 4.586 0.086 5 0 "[ . 1]" 1
351 1 38 GLN H 1 39 SER H 0.000 . 3.500 2.574 2.401 2.818 . 0 0 "[ . 1]" 1
352 1 38 GLN HB3 1 96 TYR HB3 0.000 . 5.000 3.517 2.544 5.350 0.350 5 0 "[ . 1]" 1
353 1 38 GLN HB3 1 96 TYR HB2 0.000 . 5.000 3.276 2.315 4.806 . 0 0 "[ . 1]" 1
354 1 38 GLN HB2 1 96 TYR HB3 0.000 . 5.000 3.374 2.684 4.351 . 0 0 "[ . 1]" 1
355 1 38 GLN HB2 1 96 TYR HB2 0.000 . 5.000 3.195 2.485 4.407 . 0 0 "[ . 1]" 1
356 1 38 GLN HG3 1 96 TYR HB3 0.000 . 5.000 4.502 2.503 5.222 0.222 6 0 "[ . 1]" 1
357 1 38 GLN HG2 1 96 TYR HB3 0.000 . 5.000 4.562 3.212 5.161 0.161 4 0 "[ . 1]" 1
358 1 38 GLN HG3 1 96 TYR HB2 0.000 . 5.000 4.028 2.244 5.088 0.088 2 0 "[ . 1]" 1
359 1 38 GLN HG2 1 96 TYR HB2 0.000 . 5.000 3.898 2.938 5.072 0.072 2 0 "[ . 1]" 1
360 1 38 GLN QB 1 97 ASP H 0.000 . 5.000 4.935 4.092 5.260 0.260 8 0 "[ . 1]" 1
361 1 39 SER QB 1 40 LYS HA 0.000 . 5.000 4.082 3.792 4.389 . 0 0 "[ . 1]" 1
362 1 39 SER H 1 40 LYS H 0.000 . 3.500 2.734 2.602 2.850 . 0 0 "[ . 1]" 1
363 1 39 SER QB 1 40 LYS H 0.000 . 4.500 2.515 2.252 3.286 . 0 0 "[ . 1]" 1
364 1 39 SER HA 1 41 GLU H 0.000 . 5.000 4.297 3.958 4.654 . 0 0 "[ . 1]" 1
365 1 39 SER H 1 41 GLU H 0.000 . 5.000 4.037 3.835 4.227 . 0 0 "[ . 1]" 1
366 1 39 SER HA 1 42 LYS QB 0.000 . 5.000 3.413 2.504 4.390 . 0 0 "[ . 1]" 1
367 1 39 SER HA 1 42 LYS QE 0.000 . 5.000 4.350 4.051 5.074 0.074 1 0 "[ . 1]" 1
368 1 39 SER HA 1 42 LYS HB3 0.000 . 5.000 4.429 2.764 4.826 . 0 0 "[ . 1]" 1
369 1 39 SER HA 1 42 LYS HB2 0.000 . 5.000 3.858 2.524 5.071 0.071 2 0 "[ . 1]" 1
370 1 39 SER HA 1 42 LYS H 0.000 . 5.000 3.446 3.214 3.761 . 0 0 "[ . 1]" 1
371 1 39 SER HA 1 43 THR MG 0.000 . 5.000 3.211 2.749 3.788 . 0 0 "[ . 1]" 1
372 1 39 SER QB 1 43 THR MG 0.000 . 5.000 3.355 2.527 4.002 . 0 0 "[ . 1]" 1
373 1 39 SER HA 1 43 THR H 0.000 . 5.000 3.916 3.617 4.365 . 0 0 "[ . 1]" 1
374 1 39 SER HA 1 95 HIS HA 0.000 . 5.000 4.229 3.705 4.972 . 0 0 "[ . 1]" 1
375 1 39 SER HA 1 96 TYR HA 0.000 . 5.000 4.409 3.790 4.870 . 0 0 "[ . 1]" 1
376 1 39 SER QB 1 96 TYR QB 0.000 . 5.000 3.109 2.372 3.569 . 0 0 "[ . 1]" 1
377 1 39 SER QB 1 96 TYR QD 0.000 . 5.000 2.221 1.917 2.664 . 0 0 "[ . 1]" 1
378 1 40 LYS H 1 40 LYS QD 0.000 . 4.500 4.062 3.430 4.531 0.031 6 0 "[ . 1]" 1
379 1 40 LYS HA 1 41 GLU H 0.000 . 5.000 3.510 3.457 3.561 . 0 0 "[ . 1]" 1
380 1 40 LYS QB 1 41 GLU HA 0.000 . 5.000 4.277 3.734 4.494 . 0 0 "[ . 1]" 1
381 1 40 LYS QB 1 41 GLU H 0.000 . 5.000 3.173 2.434 3.556 . 0 0 "[ . 1]" 1
382 1 40 LYS QD 1 41 GLU H 0.000 . 4.500 4.226 3.818 4.603 0.103 10 0 "[ . 1]" 1
383 1 40 LYS H 1 41 GLU H 0.000 . 3.500 2.743 2.569 2.853 . 0 0 "[ . 1]" 1
384 1 40 LYS QG 1 43 THR H 0.000 . 5.000 5.100 4.998 5.253 0.253 10 0 "[ . 1]" 1
385 1 40 LYS HA 1 43 THR H 0.000 . 5.000 3.371 3.062 3.559 . 0 0 "[ . 1]" 1
386 1 41 GLU QG 1 42 LYS HA 0.000 . 5.000 3.855 3.322 4.731 . 0 0 "[ . 1]" 1
387 1 41 GLU H 1 42 LYS H 0.000 . 4.300 2.709 2.624 2.791 . 0 0 "[ . 1]" 1
388 1 41 GLU HA 1 42 LYS H 0.000 . 3.500 3.535 3.509 3.561 0.061 4 0 "[ . 1]" 1
389 1 41 GLU QG 1 42 LYS H 0.000 . 4.500 3.316 2.225 4.241 . 0 0 "[ . 1]" 1
390 1 41 GLU HA 1 44 ALA MB 0.000 . 5.000 3.176 2.557 3.714 . 0 0 "[ . 1]" 1
391 1 41 GLU QG 1 44 ALA MB 0.000 . 5.000 4.605 3.945 4.974 . 0 0 "[ . 1]" 1
392 1 41 GLU HA 1 44 ALA H 0.000 . 5.000 4.177 3.683 4.497 . 0 0 "[ . 1]" 1
393 1 42 LYS H 1 42 LYS QD 0.000 . 3.500 3.611 3.473 3.731 0.231 3 0 "[ . 1]" 1
394 1 42 LYS H 1 42 LYS QG 0.000 . 3.500 2.330 1.745 3.937 0.437 9 0 "[ . 1]" 1
395 1 42 LYS QB 1 43 THR MG 0.000 . 5.000 3.375 2.756 3.918 . 0 0 "[ . 1]" 1
396 1 42 LYS QB 1 43 THR H 0.000 . 5.000 3.049 2.626 3.636 . 0 0 "[ . 1]" 1
397 1 42 LYS H 1 43 THR H 0.000 . 3.500 2.442 2.374 2.539 . 0 0 "[ . 1]" 1
398 1 42 LYS HA 1 43 THR H 0.000 . 4.500 3.520 3.495 3.546 . 0 0 "[ . 1]" 1
399 1 42 LYS H 1 44 ALA H 0.000 . 5.000 3.876 3.750 4.014 . 0 0 "[ . 1]" 1
400 1 42 LYS HA 1 44 ALA H 0.000 . 5.000 3.493 3.226 3.750 . 0 0 "[ . 1]" 1
401 1 42 LYS QE 1 94 ASN HA 0.000 . 5.000 5.063 4.248 5.255 0.255 1 0 "[ . 1]" 1
402 1 42 LYS QD 1 96 TYR HA 0.000 . 5.000 2.782 2.133 4.459 . 0 0 "[ . 1]" 1
403 1 42 LYS QE 1 96 TYR HA 0.000 . 5.000 2.779 2.163 4.639 . 0 0 "[ . 1]" 1
404 1 43 THR HA 1 44 ALA H 0.000 . 5.000 3.171 3.154 3.189 . 0 0 "[ . 1]" 1
405 1 43 THR H 1 44 ALA H 0.000 . 3.900 2.527 2.440 2.595 . 0 0 "[ . 1]" 1
406 1 43 THR H 1 44 ALA HA 0.000 . 4.500 4.723 4.648 4.994 0.494 7 0 "[ . 1]" 1
407 1 43 THR HB 1 44 ALA H 0.000 . 4.500 4.313 4.259 4.373 . 0 0 "[ . 1]" 1
408 1 43 THR HA 1 46 TYR H 0.000 . 5.000 3.141 2.931 3.654 . 0 0 "[ . 1]" 1
409 1 43 THR MG 1 46 TYR QD 0.000 . 5.000 3.676 3.234 4.143 . 0 0 "[ . 1]" 1
410 1 43 THR HA 1 46 TYR QD 0.000 . 5.000 2.282 2.081 2.343 . 0 0 "[ . 1]" 1
411 1 43 THR HA 1 46 TYR QE 0.000 . 5.000 3.074 2.692 3.350 . 0 0 "[ . 1]" 1
412 1 43 THR HB 1 46 TYR QD 0.000 . 5.000 4.034 3.231 4.355 . 0 0 "[ . 1]" 1
413 1 43 THR HB 1 46 TYR QE 0.000 . 5.000 4.944 4.035 5.120 0.120 10 0 "[ . 1]" 1
414 1 43 THR MG 1 46 TYR QE 0.000 . 5.000 3.510 2.572 3.720 . 0 0 "[ . 1]" 1
415 1 43 THR HB 1 51 TRP HZ2 0.000 . 5.000 2.928 2.439 3.476 . 0 0 "[ . 1]" 1
416 1 43 THR HB 1 51 TRP HH2 0.000 . 5.000 3.507 2.665 4.051 . 0 0 "[ . 1]" 1
417 1 43 THR MG 1 51 TRP HH2 0.000 . 5.000 2.876 2.451 3.634 . 0 0 "[ . 1]" 1
418 1 43 THR MG 1 51 TRP HZ2 0.000 . 5.000 3.677 3.102 4.467 . 0 0 "[ . 1]" 1
419 1 43 THR MG 1 51 TRP HZ3 0.000 . 5.000 4.509 3.986 5.017 0.017 7 0 "[ . 1]" 1
420 1 43 THR MG 1 95 HIS HA 0.000 . 5.000 3.234 2.591 4.286 . 0 0 "[ . 1]" 1
421 1 44 ALA MB 1 45 SER HA 0.000 . 5.000 4.014 3.983 4.051 . 0 0 "[ . 1]" 1
422 1 44 ALA MB 1 45 SER H 0.000 . 4.800 2.676 2.446 3.014 . 0 0 "[ . 1]" 1
423 1 44 ALA H 1 45 SER H 0.000 . 5.000 2.884 2.295 3.032 . 0 0 "[ . 1]" 1
424 1 44 ALA HA 1 45 SER H 0.000 . 4.500 3.546 3.381 3.594 . 0 0 "[ . 1]" 1
425 1 44 ALA HA 1 46 TYR H 0.000 . 5.000 4.464 3.869 4.756 . 0 0 "[ . 1]" 1
426 1 44 ALA H 1 46 TYR H 0.000 . 5.000 4.172 3.967 4.347 . 0 0 "[ . 1]" 1
427 1 45 SER HA 1 46 TYR H 0.000 . 5.000 3.300 3.172 3.432 . 0 0 "[ . 1]" 1
428 1 45 SER H 1 46 TYR H 0.000 . 3.800 2.369 2.202 2.563 . 0 0 "[ . 1]" 1
429 1 45 SER QB 1 46 TYR H 0.000 . 4.500 3.645 3.290 3.819 . 0 0 "[ . 1]" 1
430 1 46 TYR H 1 46 TYR QD 0.000 . 4.000 2.085 1.810 2.419 . 0 0 "[ . 1]" 1
431 1 46 TYR HA 1 47 THR MG 0.000 . 5.000 3.701 3.522 3.906 . 0 0 "[ . 1]" 1
432 1 46 TYR HA 1 47 THR H 0.000 . 3.300 2.103 2.066 2.131 . 0 0 "[ . 1]" 1
433 1 46 TYR QD 1 47 THR H 0.000 . 4.800 4.221 4.084 4.409 . 0 0 "[ . 1]" 1
434 1 46 TYR HB3 1 47 THR H 0.000 . 3.000 3.142 3.113 3.160 0.160 5 0 "[ . 1]" 1
435 1 46 TYR HA 1 50 ASP HB3 0.000 . 5.000 3.687 3.300 4.160 . 0 0 "[ . 1]" 1
436 1 46 TYR HA 1 50 ASP HB2 0.000 . 5.000 3.501 3.042 3.869 . 0 0 "[ . 1]" 1
437 1 46 TYR HA 1 50 ASP H 0.000 . 5.000 5.107 5.044 5.167 0.167 4 0 "[ . 1]" 1
438 1 46 TYR HB3 1 51 TRP HE1 0.000 . 5.000 2.798 2.575 3.399 . 0 0 "[ . 1]" 1
439 1 46 TYR QE 1 51 TRP HH2 0.000 . 5.000 4.967 4.458 5.037 0.037 10 0 "[ . 1]" 1
440 1 46 TYR QB 1 51 TRP HE1 0.000 . 5.000 2.595 2.446 2.809 . 0 0 "[ . 1]" 1
441 1 46 TYR QD 1 51 TRP HE1 0.000 . 5.000 4.401 4.066 4.834 . 0 0 "[ . 1]" 1
442 1 46 TYR HA 1 51 TRP HE1 0.000 . 5.000 4.831 4.591 5.081 0.081 7 0 "[ . 1]" 1
443 1 46 TYR H 1 51 TRP HE1 0.000 . 5.000 4.977 4.734 5.051 0.051 8 0 "[ . 1]" 1
444 1 46 TYR QD 1 54 ILE MD 0.000 . 5.000 4.248 2.657 5.120 0.120 1 0 "[ . 1]" 1
445 1 46 TYR QE 1 54 ILE MD 0.000 . 5.000 3.342 2.388 3.969 . 0 0 "[ . 1]" 1
446 1 47 THR H 1 47 THR MG 0.000 . 4.300 2.800 2.582 3.005 . 0 0 "[ . 1]" 1
447 1 47 THR HA 1 48 LYS H 0.000 . 3.100 2.550 2.495 2.617 . 0 0 "[ . 1]" 1
448 1 47 THR HB 1 48 LYS HB3 0.000 . 5.000 4.376 3.695 5.124 0.124 9 0 "[ . 1]" 1
449 1 47 THR MG 1 48 LYS H 0.000 . 4.400 3.452 3.255 3.611 . 0 0 "[ . 1]" 1
450 1 47 THR HB 1 48 LYS H 0.000 . 3.000 2.063 1.896 2.177 . 0 0 "[ . 1]" 1
451 1 47 THR H 1 48 LYS H 0.000 . 4.500 4.446 4.398 4.487 . 0 0 "[ . 1]" 1
452 1 47 THR HB 1 49 GLU HB3 0.000 . 5.000 4.609 4.104 4.937 . 0 0 "[ . 1]" 1
453 1 47 THR HB 1 49 GLU H 0.000 . 5.000 2.865 2.779 3.057 . 0 0 "[ . 1]" 1
454 1 47 THR MG 1 49 GLU H 0.000 . 5.000 4.310 4.277 4.345 . 0 0 "[ . 1]" 1
455 1 47 THR H 1 50 ASP H 0.000 . 5.000 3.392 3.298 3.456 . 0 0 "[ . 1]" 1
456 1 47 THR HA 1 51 TRP HD1 0.000 . 5.000 3.584 3.439 3.736 . 0 0 "[ . 1]" 1
457 1 47 THR H 1 51 TRP H 0.000 . 5.000 4.280 4.099 4.415 . 0 0 "[ . 1]" 1
458 1 48 LYS H 1 48 LYS QG 0.000 . 4.500 2.912 1.737 3.964 . 0 0 "[ . 1]" 1
459 1 48 LYS QG 1 49 GLU QG 0.000 . 5.000 4.640 3.429 5.239 0.239 7 0 "[ . 1]" 1
460 1 48 LYS H 1 49 GLU H 0.000 . 3.900 2.741 2.677 2.792 . 0 0 "[ . 1]" 1
461 1 48 LYS H 1 50 ASP H 0.000 . 5.000 4.534 4.472 4.589 . 0 0 "[ . 1]" 1
462 1 48 LYS HA 1 51 TRP HB3 0.000 . 5.000 3.879 3.655 4.077 . 0 0 "[ . 1]" 1
463 1 48 LYS HA 1 51 TRP HB2 0.000 . 5.000 2.294 2.170 2.450 . 0 0 "[ . 1]" 1
464 1 48 LYS HA 1 51 TRP HD1 0.000 . 5.000 2.448 2.241 2.588 . 0 0 "[ . 1]" 1
465 1 48 LYS HA 1 51 TRP H 0.000 . 5.000 3.401 3.300 3.494 . 0 0 "[ . 1]" 1
466 1 48 LYS H 1 51 TRP HD1 0.000 . 5.000 3.746 3.585 3.902 . 0 0 "[ . 1]" 1
467 1 48 LYS HA 1 51 TRP HE1 0.000 . 5.000 4.994 4.783 5.125 0.125 3 0 "[ . 1]" 1
468 1 49 GLU H 1 49 GLU QG 0.000 . 5.000 2.482 1.786 3.931 . 0 0 "[ . 1]" 1
469 1 49 GLU HA 1 50 ASP H 0.000 . 5.000 3.524 3.511 3.536 . 0 0 "[ . 1]" 1
470 1 49 GLU QG 1 50 ASP HA 0.000 . 4.800 3.582 3.254 4.321 . 0 0 "[ . 1]" 1
471 1 49 GLU QG 1 50 ASP HB3 0.000 . 5.000 4.562 3.894 5.242 0.242 7 0 "[ . 1]" 1
472 1 49 GLU H 1 50 ASP H 0.000 . 3.600 2.704 2.654 2.775 . 0 0 "[ . 1]" 1
473 1 49 GLU HB3 1 50 ASP H 0.000 . 3.500 3.313 2.219 3.796 0.296 3 0 "[ . 1]" 1
474 1 49 GLU HB2 1 50 ASP H 0.000 . 3.500 3.405 3.193 3.671 0.171 8 0 "[ . 1]" 1
475 1 49 GLU HA 1 51 TRP H 0.000 . 5.000 4.086 3.879 4.255 . 0 0 "[ . 1]" 1
476 1 49 GLU HB2 1 51 TRP H 0.000 . 5.000 5.205 5.166 5.304 0.304 7 0 "[ . 1]" 1
477 1 50 ASP HA 1 51 TRP H 0.000 . 5.000 3.451 3.386 3.489 . 0 0 "[ . 1]" 1
478 1 50 ASP H 1 51 TRP H 0.000 . 3.700 2.560 2.453 2.623 . 0 0 "[ . 1]" 1
479 1 50 ASP HB3 1 51 TRP H 0.000 . 3.500 3.058 2.516 3.737 0.237 7 0 "[ . 1]" 1
480 1 50 ASP HB2 1 51 TRP H 0.000 . 3.500 3.306 2.618 3.715 0.215 5 0 "[ . 1]" 1
481 1 50 ASP HA 1 53 ARG QB 0.000 . 5.000 2.763 2.579 2.920 . 0 0 "[ . 1]" 1
482 1 50 ASP HA 1 53 ARG H 0.000 . 5.000 3.699 3.547 3.930 . 0 0 "[ . 1]" 1
483 1 50 ASP HA 1 54 ILE H 0.000 . 5.000 4.507 4.177 4.758 . 0 0 "[ . 1]" 1
484 1 51 TRP HB2 1 51 TRP HE1 0.000 . 4.800 4.754 4.746 4.760 . 0 0 "[ . 1]" 1
485 1 51 TRP H 1 51 TRP HD1 0.000 . 4.400 3.492 3.294 3.788 . 0 0 "[ . 1]" 1
486 1 51 TRP H 1 52 GLN H 0.000 . 3.000 2.570 2.393 2.757 . 0 0 "[ . 1]" 1
487 1 51 TRP HA 1 52 GLN H 0.000 . 3.500 3.536 3.508 3.573 0.073 6 0 "[ . 1]" 1
488 1 51 TRP HB3 1 52 GLN H 0.000 . 4.000 3.539 3.149 3.713 . 0 0 "[ . 1]" 1
489 1 51 TRP HB2 1 52 GLN H 0.000 . 4.000 2.710 2.389 2.855 . 0 0 "[ . 1]" 1
490 1 51 TRP HB2 1 53 ARG H 0.000 . 5.000 4.927 4.691 5.024 0.024 2 0 "[ . 1]" 1
491 1 51 TRP H 1 53 ARG H 0.000 . 5.000 3.854 3.721 3.930 . 0 0 "[ . 1]" 1
492 1 51 TRP HA 1 54 ILE HB 0.000 . 5.000 3.090 2.741 3.411 . 0 0 "[ . 1]" 1
493 1 51 TRP HA 1 54 ILE MD 0.000 . 5.000 3.828 2.265 5.008 0.008 5 0 "[ . 1]" 1
494 1 51 TRP HA 1 54 ILE MG 0.000 . 5.000 4.401 3.957 4.707 . 0 0 "[ . 1]" 1
495 1 51 TRP HE3 1 54 ILE MG 0.000 . 5.000 3.828 3.497 4.267 . 0 0 "[ . 1]" 1
496 1 51 TRP HZ3 1 54 ILE MG 0.000 . 5.000 4.010 3.818 4.597 . 0 0 "[ . 1]" 1
497 1 51 TRP HA 1 54 ILE H 0.000 . 5.000 3.405 3.087 3.694 . 0 0 "[ . 1]" 1
498 1 51 TRP HA 1 55 GLN H 0.000 . 5.000 4.623 4.283 4.813 . 0 0 "[ . 1]" 1
499 1 52 GLN HA 1 53 ARG H 0.000 . 3.500 3.485 3.439 3.509 0.009 7 0 "[ . 1]" 1
500 1 52 GLN H 1 53 ARG H 0.000 . 3.000 2.563 2.420 2.732 . 0 0 "[ . 1]" 1
501 1 52 GLN HA 1 55 GLN H 0.000 . 5.000 3.483 3.057 3.954 . 0 0 "[ . 1]" 1
502 1 53 ARG H 1 53 ARG QD 0.000 . 4.500 4.312 4.207 4.586 0.086 5 0 "[ . 1]" 1
503 1 53 ARG H 1 53 ARG HG3 0.000 . 4.500 4.405 4.344 4.539 0.039 8 0 "[ . 1]" 1
504 1 53 ARG H 1 53 ARG HG2 0.000 . 4.500 4.525 4.314 4.571 0.071 9 0 "[ . 1]" 1
505 1 53 ARG QB 1 54 ILE H 0.000 . 5.000 2.587 2.314 2.703 . 0 0 "[ . 1]" 1
506 1 53 ARG H 1 54 ILE H 0.000 . 3.000 2.635 2.545 2.811 . 0 0 "[ . 1]" 1
507 1 53 ARG HA 1 56 ASP HB3 0.000 . 5.000 3.936 3.010 4.507 . 0 0 "[ . 1]" 1
508 1 53 ARG HA 1 56 ASP HB2 0.000 . 5.000 4.684 3.325 5.095 0.095 9 0 "[ . 1]" 1
509 1 53 ARG HA 1 56 ASP H 0.000 . 5.000 3.747 3.526 3.944 . 0 0 "[ . 1]" 1
510 1 53 ARG QD 1 57 GLU QG 0.000 . 5.000 3.531 2.247 5.001 0.001 1 0 "[ . 1]" 1
511 1 53 ARG QG 1 57 GLU QG 0.000 . 5.000 3.372 2.574 4.515 . 0 0 "[ . 1]" 1
512 1 54 ILE H 1 54 ILE QG 0.000 . 4.700 2.606 1.983 3.628 . 0 0 "[ . 1]" 1
513 1 54 ILE MG 1 55 GLN HA 0.000 . 5.000 3.230 2.797 3.417 . 0 0 "[ . 1]" 1
514 1 54 ILE H 1 55 GLN H 0.000 . 5.000 2.714 2.533 2.987 . 0 0 "[ . 1]" 1
515 1 54 ILE HA 1 55 GLN H 0.000 . 4.500 3.542 3.514 3.587 . 0 0 "[ . 1]" 1
516 1 54 ILE HB 1 55 GLN H 0.000 . 3.500 2.837 2.548 3.080 . 0 0 "[ . 1]" 1
517 1 54 ILE MG 1 55 GLN H 0.000 . 3.500 3.300 2.433 3.534 0.034 5 0 "[ . 1]" 1
518 1 54 ILE HA 1 57 GLU QB 0.000 . 5.000 2.599 2.266 3.077 . 0 0 "[ . 1]" 1
519 1 54 ILE HA 1 57 GLU QG 0.000 . 5.000 3.229 2.744 3.742 . 0 0 "[ . 1]" 1
520 1 54 ILE HA 1 57 GLU H 0.000 . 5.000 3.584 3.417 3.873 . 0 0 "[ . 1]" 1
521 1 54 ILE MD 1 57 GLU QB 0.000 . 5.000 4.182 3.412 5.104 0.104 7 0 "[ . 1]" 1
522 1 54 ILE MG 1 57 GLU QB 0.000 . 5.000 3.388 3.139 3.866 . 0 0 "[ . 1]" 1
523 1 54 ILE QG 1 57 GLU QB 0.000 . 5.000 4.550 3.737 5.135 0.135 6 0 "[ . 1]" 1
524 1 54 ILE MG 1 58 ALA MB 0.000 . 5.000 3.194 2.857 3.615 . 0 0 "[ . 1]" 1
525 1 54 ILE HA 1 58 ALA H 0.000 . 5.000 4.317 3.971 4.777 . 0 0 "[ . 1]" 1
526 1 54 ILE MG 1 94 ASN QD 0.000 . 5.000 3.880 3.000 4.991 . 0 0 "[ . 1]" 1
527 1 54 ILE MD 1 94 ASN HA 0.000 . 5.000 3.195 2.519 3.773 . 0 0 "[ . 1]" 1
528 1 54 ILE MD 1 94 ASN HB3 0.000 . 5.000 3.409 2.148 5.057 0.057 9 0 "[ . 1]" 1
529 1 54 ILE MD 1 94 ASN HB2 0.000 . 5.000 2.472 2.002 3.717 . 0 0 "[ . 1]" 1
530 1 54 ILE QG 1 94 ASN HB2 0.000 . 5.000 3.048 2.215 3.930 . 0 0 "[ . 1]" 1
531 1 54 ILE MG 1 94 ASN HB3 0.000 . 5.000 4.226 3.098 5.073 0.073 10 0 "[ . 1]" 1
532 1 54 ILE MG 1 94 ASN HB2 0.000 . 5.000 3.607 2.384 4.652 . 0 0 "[ . 1]" 1
533 1 55 GLN QB 1 56 ASP H 0.000 . 4.300 2.558 2.352 3.335 . 0 0 "[ . 1]" 1
534 1 55 GLN QG 1 56 ASP H 0.000 . 5.000 3.649 2.371 4.221 . 0 0 "[ . 1]" 1
535 1 55 GLN H 1 56 ASP H 0.000 . 5.000 2.755 2.680 2.902 . 0 0 "[ . 1]" 1
536 1 55 GLN H 1 57 GLU QB 0.000 . 5.000 4.694 4.378 4.947 . 0 0 "[ . 1]" 1
537 1 55 GLN HA 1 58 ALA MB 0.000 . 5.000 2.511 2.305 2.835 . 0 0 "[ . 1]" 1
538 1 55 GLN HA 1 58 ALA H 0.000 . 5.000 3.020 2.821 3.174 . 0 0 "[ . 1]" 1
539 1 55 GLN QE 1 58 ALA MB 0.000 . 5.000 3.676 2.408 5.029 0.029 10 0 "[ . 1]" 1
540 1 55 GLN QB 1 59 ASP QB 0.000 . 5.000 4.904 4.381 5.123 0.123 10 0 "[ . 1]" 1
541 1 56 ASP HA 1 57 GLU H 0.000 . 5.000 3.449 3.432 3.479 . 0 0 "[ . 1]" 1
542 1 56 ASP HB3 1 57 GLU H 0.000 . 4.000 3.683 2.356 4.034 0.034 3 0 "[ . 1]" 1
543 1 56 ASP HB2 1 57 GLU HA 0.000 . 5.000 4.835 4.467 5.381 0.381 2 0 "[ . 1]" 1
544 1 56 ASP HB2 1 57 GLU H 0.000 . 5.000 3.882 3.542 4.093 . 0 0 "[ . 1]" 1
545 1 56 ASP H 1 57 GLU H 0.000 . 3.800 2.627 2.568 2.678 . 0 0 "[ . 1]" 1
546 1 56 ASP H 1 58 ALA H 0.000 . 5.000 4.170 4.069 4.295 . 0 0 "[ . 1]" 1
547 1 56 ASP HA 1 58 ALA H 0.000 . 5.000 4.384 4.296 4.460 . 0 0 "[ . 1]" 1
548 1 56 ASP HA 1 59 ASP QB 0.000 . 5.000 2.988 2.439 3.686 . 0 0 "[ . 1]" 1
549 1 57 GLU QB 1 58 ALA H 0.000 . 5.000 2.599 2.519 2.640 . 0 0 "[ . 1]" 1
550 1 57 GLU H 1 58 ALA H 0.000 . 4.200 2.512 2.401 2.650 . 0 0 "[ . 1]" 1
551 1 57 GLU HA 1 58 ALA H 0.000 . 4.500 3.524 3.507 3.537 . 0 0 "[ . 1]" 1
552 1 57 GLU QG 1 58 ALA H 0.000 . 4.500 4.174 4.066 4.261 . 0 0 "[ . 1]" 1
553 1 57 GLU HA 1 60 GLU QG 0.000 . 5.000 4.143 2.484 5.042 0.042 10 0 "[ . 1]" 1
554 1 57 GLU HA 1 60 GLU H 0.000 . 5.000 3.793 3.640 4.036 . 0 0 "[ . 1]" 1
555 1 58 ALA HA 1 59 ASP H 0.000 . 5.000 3.530 3.463 3.590 . 0 0 "[ . 1]" 1
556 1 58 ALA MB 1 59 ASP HA 0.000 . 5.000 3.818 3.745 3.915 . 0 0 "[ . 1]" 1
557 1 58 ALA MB 1 59 ASP QB 0.000 . 5.000 4.051 3.844 4.433 . 0 0 "[ . 1]" 1
558 1 58 ALA MB 1 59 ASP H 0.000 . 3.900 2.625 2.376 2.936 . 0 0 "[ . 1]" 1
559 1 58 ALA H 1 59 ASP H 0.000 . 3.900 2.616 2.449 2.759 . 0 0 "[ . 1]" 1
560 1 58 ALA H 1 60 GLU H 0.000 . 5.000 4.281 3.990 4.653 . 0 0 "[ . 1]" 1
561 1 58 ALA HA 1 61 LEU QB 0.000 . 5.000 2.470 2.300 2.655 . 0 0 "[ . 1]" 1
562 1 58 ALA HA 1 61 LEU HG 0.000 . 5.000 4.963 4.688 5.040 0.040 6 0 "[ . 1]" 1
563 1 58 ALA MB 1 61 LEU QB 0.000 . 5.000 3.588 3.468 3.798 . 0 0 "[ . 1]" 1
564 1 58 ALA HA 1 61 LEU H 0.000 . 5.000 3.331 3.204 3.507 . 0 0 "[ . 1]" 1
565 1 59 ASP QB 1 60 GLU QB 0.000 . 5.000 4.269 3.766 4.817 . 0 0 "[ . 1]" 1
566 1 59 ASP QB 1 60 GLU H 0.000 . 4.300 2.829 2.242 3.483 . 0 0 "[ . 1]" 1
567 1 59 ASP H 1 60 GLU H 0.000 . 3.700 2.737 2.573 2.878 . 0 0 "[ . 1]" 1
568 1 59 ASP HA 1 60 GLU H 0.000 . 3.500 3.536 3.512 3.565 0.065 2 0 "[ . 1]" 1
569 1 59 ASP HA 1 62 THR HB 0.000 . 5.000 4.869 4.652 5.067 0.067 2 0 "[ . 1]" 1
570 1 59 ASP HA 1 62 THR MG 0.000 . 5.000 3.697 3.367 4.081 . 0 0 "[ . 1]" 1
571 1 59 ASP HA 1 62 THR H 0.000 . 5.000 3.543 3.439 3.759 . 0 0 "[ . 1]" 1
572 1 59 ASP QB 1 63 ARG QD 0.000 . 5.000 4.550 3.654 5.102 0.102 2 0 "[ . 1]" 1
573 1 59 ASP HA 1 63 ARG H 0.000 . 5.000 4.787 4.592 4.853 . 0 0 "[ . 1]" 1
574 1 60 GLU H 1 60 GLU QG 0.000 . 4.200 3.449 2.109 3.999 . 0 0 "[ . 1]" 1
575 1 60 GLU QG 1 61 LEU H 0.000 . 5.000 3.123 2.185 3.539 . 0 0 "[ . 1]" 1
576 1 60 GLU H 1 61 LEU H 0.000 . 3.300 2.640 2.548 2.719 . 0 0 "[ . 1]" 1
577 1 60 GLU QG 1 62 THR H 0.000 . 5.000 4.924 4.475 5.105 0.105 10 0 "[ . 1]" 1
578 1 60 GLU HA 1 62 THR H 0.000 . 5.000 4.234 4.103 4.528 . 0 0 "[ . 1]" 1
579 1 60 GLU HA 1 63 ARG QD 0.000 . 5.000 3.632 1.999 4.284 . 0 0 "[ . 1]" 1
580 1 60 GLU HA 1 63 ARG QG 0.000 . 5.000 2.552 2.104 4.042 . 0 0 "[ . 1]" 1
581 1 60 GLU HA 1 63 ARG H 0.000 . 5.000 3.555 3.423 3.813 . 0 0 "[ . 1]" 1
582 1 60 GLU QG 1 64 ARG QB 0.000 . 5.000 4.369 3.331 5.046 0.046 6 0 "[ . 1]" 1
583 1 60 GLU QG 1 64 ARG QD 0.000 . 5.000 3.419 2.841 4.230 . 0 0 "[ . 1]" 1
584 1 60 GLU QG 1 64 ARG QG 0.000 . 5.000 3.998 3.019 5.129 0.129 10 0 "[ . 1]" 1
585 1 61 LEU H 1 61 LEU HG 0.000 . 4.000 4.195 3.982 4.334 0.334 5 0 "[ . 1]" 1
586 1 61 LEU H 1 61 LEU QD 0.000 . 3.500 3.483 1.959 3.678 0.178 10 0 "[ . 1]" 1
587 1 61 LEU QB 1 62 THR H 0.000 . 5.000 2.578 2.305 2.785 . 0 0 "[ . 1]" 1
588 1 61 LEU QD 1 62 THR HA 0.000 . 5.000 3.363 2.724 5.089 0.089 6 0 "[ . 1]" 1
589 1 61 LEU H 1 62 THR H 0.000 . 3.600 2.793 2.719 2.926 . 0 0 "[ . 1]" 1
590 1 61 LEU QD 1 62 THR H 0.000 . 4.500 3.465 3.034 3.926 . 0 0 "[ . 1]" 1
591 1 61 LEU QD 1 63 ARG H 0.000 . 5.000 5.059 4.872 5.210 0.210 6 0 "[ . 1]" 1
592 1 61 LEU HA 1 64 ARG QB 0.000 . 5.000 4.114 2.894 4.605 . 0 0 "[ . 1]" 1
593 1 61 LEU HA 1 64 ARG QD 0.000 . 5.000 2.798 2.217 4.469 . 0 0 "[ . 1]" 1
594 1 61 LEU HA 1 64 ARG QG 0.000 . 5.000 2.623 2.216 4.562 . 0 0 "[ . 1]" 1
595 1 61 LEU QD 1 64 ARG QB 0.000 . 5.000 4.829 4.025 5.066 0.066 8 0 "[ . 1]" 1
596 1 61 LEU QD 1 64 ARG QD 0.000 . 5.000 3.800 2.596 4.981 . 0 0 "[ . 1]" 1
597 1 61 LEU HG 1 64 ARG QD 0.000 . 5.000 3.707 2.752 5.084 0.084 10 0 "[ . 1]" 1
598 1 61 LEU HG 1 64 ARG HE 0.000 . 5.000 4.304 2.078 5.048 0.048 3 0 "[ . 1]" 1
599 1 61 LEU HA 1 64 ARG H 0.000 . 5.000 3.878 3.450 4.223 . 0 0 "[ . 1]" 1
600 1 61 LEU QB 1 65 PHE QD 0.000 . 5.000 4.342 2.996 4.940 . 0 0 "[ . 1]" 1
601 1 61 LEU QB 1 65 PHE QE 0.000 . 5.000 4.383 3.196 4.924 . 0 0 "[ . 1]" 1
602 1 61 LEU QD 1 65 PHE QD 0.000 . 5.000 2.577 2.312 3.819 . 0 0 "[ . 1]" 1
603 1 61 LEU QD 1 65 PHE HZ 0.000 . 5.000 3.048 2.766 3.418 . 0 0 "[ . 1]" 1
604 1 61 LEU HG 1 65 PHE QD 0.000 . 5.000 3.353 2.748 3.759 . 0 0 "[ . 1]" 1
605 1 61 LEU HG 1 65 PHE QE 0.000 . 5.000 2.635 2.306 4.065 . 0 0 "[ . 1]" 1
606 1 61 LEU HG 1 65 PHE H 0.000 . 5.000 4.815 4.420 5.074 0.074 6 0 "[ . 1]" 1
607 1 61 LEU QD 1 65 PHE H 0.000 . 5.000 3.642 3.425 5.021 0.021 6 0 "[ . 1]" 1
608 1 61 LEU QD 1 83 ALA HA 0.000 . 5.000 5.014 4.314 5.134 0.134 10 0 "[ . 1]" 1
609 1 61 LEU QD 1 83 ALA MB 0.000 . 5.000 3.992 3.574 4.491 . 0 0 "[ . 1]" 1
610 1 61 LEU QD 1 84 ALA HA 0.000 . 5.000 4.617 4.263 4.986 . 0 0 "[ . 1]" 1
611 1 61 LEU QD 1 86 ASP QB 0.000 . 5.000 3.807 3.178 4.422 . 0 0 "[ . 1]" 1
612 1 61 LEU QB 1 87 HIS HD2 0.000 . 5.000 4.825 3.610 5.053 0.053 7 0 "[ . 1]" 1
613 1 61 LEU QD 1 87 HIS HB3 0.000 . 5.000 3.744 3.394 4.112 . 0 0 "[ . 1]" 1
614 1 61 LEU QD 1 87 HIS HB2 0.000 . 5.000 2.513 2.179 2.899 . 0 0 "[ . 1]" 1
615 1 61 LEU QD 1 87 HIS HD2 0.000 . 5.000 2.411 2.024 2.705 . 0 0 "[ . 1]" 1
616 1 61 LEU QD 1 131 MET ME 0.000 . 5.000 3.791 2.838 5.008 0.008 6 0 "[ . 1]" 1
617 1 62 THR HA 1 63 ARG H 0.000 . 4.600 3.561 3.529 3.599 . 0 0 "[ . 1]" 1
618 1 62 THR HB 1 63 ARG H 0.000 . 3.000 3.103 3.028 3.177 0.177 6 0 "[ . 1]" 1
619 1 62 THR MG 1 63 ARG HA 0.000 . 5.000 5.195 5.164 5.236 0.236 5 0 "[ . 1]" 1
620 1 62 THR MG 1 63 ARG QD 0.000 . 5.000 4.598 4.349 5.058 0.058 5 0 "[ . 1]" 1
621 1 62 THR MG 1 63 ARG QG 0.000 . 5.000 4.987 4.846 5.047 0.047 9 0 "[ . 1]" 1
622 1 62 THR MG 1 63 ARG H 0.000 . 4.700 4.067 3.959 4.108 . 0 0 "[ . 1]" 1
623 1 62 THR H 1 63 ARG H 0.000 . 3.600 2.791 2.667 2.932 . 0 0 "[ . 1]" 1
624 1 62 THR HA 1 65 PHE HB2 0.000 . 5.000 2.721 2.650 2.838 . 0 0 "[ . 1]" 1
625 1 62 THR HA 1 65 PHE QD 0.000 . 5.000 4.255 4.014 4.469 . 0 0 "[ . 1]" 1
626 1 62 THR HA 1 65 PHE H 0.000 . 5.000 3.703 3.545 3.801 . 0 0 "[ . 1]" 1
627 1 62 THR HA 1 66 VAL MG1 0.000 . 5.000 5.140 5.052 5.199 0.199 5 0 "[ . 1]" 1
628 1 62 THR HA 1 66 VAL MG2 0.000 . 5.000 2.564 2.464 2.644 . 0 0 "[ . 1]" 1
629 1 62 THR HA 1 66 VAL H 0.000 . 5.000 3.234 3.128 3.322 . 0 0 "[ . 1]" 1
630 1 62 THR MG 1 66 VAL MG1 0.000 . 5.000 4.652 4.517 5.002 0.002 5 0 "[ . 1]" 1
631 1 62 THR MG 1 66 VAL MG2 0.000 . 5.000 2.736 2.587 3.090 . 0 0 "[ . 1]" 1
632 1 62 THR MG 1 66 VAL H 0.000 . 5.000 4.580 4.479 4.806 . 0 0 "[ . 1]" 1
633 1 62 THR HA 1 123 ALA MB 0.000 . 5.000 4.390 4.233 4.743 . 0 0 "[ . 1]" 1
634 1 62 THR MG 1 123 ALA HA 0.000 . 5.000 4.433 4.041 5.030 0.030 10 0 "[ . 1]" 1
635 1 62 THR MG 1 123 ALA MB 0.000 . 5.000 2.181 1.917 2.553 . 0 0 "[ . 1]" 1
636 1 62 THR HA 1 127 LEU QD 0.000 . 5.000 4.410 3.306 4.778 . 0 0 "[ . 1]" 1
637 1 62 THR MG 1 127 LEU QD 0.000 . 5.000 2.983 2.256 3.389 . 0 0 "[ . 1]" 1
638 1 63 ARG HA 1 64 ARG H 0.000 . 5.000 3.583 3.567 3.597 . 0 0 "[ . 1]" 1
639 1 63 ARG HB2 1 64 ARG HA 0.000 . 3.600 3.835 3.750 3.998 0.398 5 0 "[ . 1]" 1
640 1 63 ARG QD 1 64 ARG H 0.000 . 5.000 4.364 3.393 4.673 . 0 0 "[ . 1]" 1
641 1 63 ARG H 1 64 ARG H 0.000 . 3.800 2.961 2.884 3.016 . 0 0 "[ . 1]" 1
642 1 63 ARG HA 1 66 VAL HB 0.000 . 5.000 3.005 2.863 3.141 . 0 0 "[ . 1]" 1
643 1 63 ARG HA 1 66 VAL MG1 0.000 . 5.000 4.297 4.043 4.480 . 0 0 "[ . 1]" 1
644 1 63 ARG HA 1 66 VAL MG2 0.000 . 5.000 3.495 3.239 3.683 . 0 0 "[ . 1]" 1
645 1 63 ARG HA 1 66 VAL H 0.000 . 5.000 4.124 3.990 4.240 . 0 0 "[ . 1]" 1
646 1 63 ARG HA 1 67 ALA MB 0.000 . 5.000 3.754 3.590 3.887 . 0 0 "[ . 1]" 1
647 1 63 ARG HA 1 67 ALA H 0.000 . 5.000 3.566 3.501 3.622 . 0 0 "[ . 1]" 1
648 1 63 ARG QG 1 67 ALA MB 0.000 . 5.000 5.213 5.042 5.278 0.278 2 0 "[ . 1]" 1
649 1 64 ARG QB 1 64 ARG HE 0.000 . 5.000 3.274 1.966 3.932 . 0 0 "[ . 1]" 1
650 1 64 ARG QB 1 65 PHE H 0.000 . 3.600 3.082 2.334 3.311 . 0 0 "[ . 1]" 1
651 1 64 ARG H 1 65 PHE H 0.000 . 3.900 2.858 2.759 2.911 . 0 0 "[ . 1]" 1
652 1 64 ARG QG 1 65 PHE H 0.000 . 3.500 2.014 1.837 2.865 . 0 0 "[ . 1]" 1
653 1 64 ARG QB 1 66 VAL H 0.000 . 5.000 5.115 4.808 5.218 0.218 2 0 "[ . 1]" 1
654 1 64 ARG QG 1 66 VAL H 0.000 . 5.000 4.387 4.145 5.076 0.076 10 0 "[ . 1]" 1
655 1 64 ARG HA 1 67 ALA MB 0.000 . 5.000 2.302 2.196 2.532 . 0 0 "[ . 1]" 1
656 1 64 ARG HA 1 67 ALA H 0.000 . 5.000 3.546 3.476 3.687 . 0 0 "[ . 1]" 1
657 1 64 ARG QB 1 67 ALA H 0.000 . 5.000 4.938 4.894 5.008 0.008 5 0 "[ . 1]" 1
658 1 64 ARG QG 1 68 LEU HG 0.000 . 5.000 4.554 3.028 5.095 0.095 1 0 "[ . 1]" 1
659 1 64 ARG HA 1 68 LEU H 0.000 . 5.000 3.938 3.331 4.285 . 0 0 "[ . 1]" 1
660 1 64 ARG QB 1 68 LEU H 0.000 . 5.000 4.839 4.415 5.216 0.216 10 0 "[ . 1]" 1
661 1 64 ARG QB 1 83 ALA MB 0.000 . 5.000 4.016 3.600 4.593 . 0 0 "[ . 1]" 1
662 1 64 ARG QD 1 83 ALA MB 0.000 . 5.000 3.543 2.379 4.540 . 0 0 "[ . 1]" 1
663 1 64 ARG HE 1 83 ALA MB 0.000 . 5.000 3.227 2.403 5.050 0.050 1 0 "[ . 1]" 1
664 1 64 ARG QG 1 83 ALA MB 0.000 . 5.000 3.315 2.587 4.256 . 0 0 "[ . 1]" 1
665 1 65 PHE H 1 65 PHE QD 0.000 . 3.800 1.988 1.794 2.167 . 0 0 "[ . 1]" 1
666 1 65 PHE HA 1 66 VAL H 0.000 . 5.000 3.511 3.498 3.525 . 0 0 "[ . 1]" 1
667 1 65 PHE HB3 1 66 VAL H 0.000 . 5.000 3.110 2.967 3.274 . 0 0 "[ . 1]" 1
668 1 65 PHE HB2 1 66 VAL MG1 0.000 . 5.000 5.303 5.241 5.397 0.397 8 0 "[ . 1]" 1
669 1 65 PHE HB2 1 66 VAL MG2 0.000 . 5.000 2.871 2.826 2.964 . 0 0 "[ . 1]" 1
670 1 65 PHE QD 1 66 VAL H 0.000 . 5.000 4.180 4.108 4.301 . 0 0 "[ . 1]" 1
671 1 65 PHE H 1 66 VAL MG2 0.000 . 5.000 4.051 3.911 4.151 . 0 0 "[ . 1]" 1
672 1 65 PHE H 1 66 VAL H 0.000 . 3.800 2.785 2.714 2.857 . 0 0 "[ . 1]" 1
673 1 65 PHE HB2 1 66 VAL H 0.000 . 3.500 2.368 2.220 2.535 . 0 0 "[ . 1]" 1
674 1 65 PHE H 1 67 ALA MB 0.000 . 5.000 4.608 4.428 4.827 . 0 0 "[ . 1]" 1
675 1 65 PHE H 1 67 ALA H 0.000 . 5.000 4.143 4.019 4.253 . 0 0 "[ . 1]" 1
676 1 65 PHE HA 1 68 LEU HB3 0.000 . 5.000 4.396 3.841 4.621 . 0 0 "[ . 1]" 1
677 1 65 PHE HA 1 68 LEU HB2 0.000 . 5.000 3.998 3.229 4.923 . 0 0 "[ . 1]" 1
678 1 65 PHE HA 1 68 LEU QD 0.000 . 5.000 2.194 2.033 2.393 . 0 0 "[ . 1]" 1
679 1 65 PHE HA 1 68 LEU H 0.000 . 5.000 3.683 3.446 3.998 . 0 0 "[ . 1]" 1
680 1 65 PHE H 1 68 LEU H 0.000 . 5.000 4.730 4.566 4.841 . 0 0 "[ . 1]" 1
681 1 65 PHE HA 1 69 MET ME 0.000 . 5.000 3.837 3.509 4.094 . 0 0 "[ . 1]" 1
682 1 65 PHE HA 1 69 MET H 0.000 . 5.000 4.374 3.778 4.855 . 0 0 "[ . 1]" 1
683 1 65 PHE HA 1 83 ALA MB 0.000 . 5.000 3.538 3.323 3.802 . 0 0 "[ . 1]" 1
684 1 65 PHE QE 1 83 ALA MB 0.000 . 5.000 2.424 2.238 2.600 . 0 0 "[ . 1]" 1
685 1 65 PHE HZ 1 83 ALA MB 0.000 . 5.000 2.812 2.618 3.136 . 0 0 "[ . 1]" 1
686 1 65 PHE QE 1 84 ALA HA 0.000 . 5.000 3.264 2.984 3.448 . 0 0 "[ . 1]" 1
687 1 65 PHE QE 1 84 ALA MB 0.000 . 5.000 3.708 3.322 4.032 . 0 0 "[ . 1]" 1
688 1 65 PHE HZ 1 84 ALA HA 0.000 . 5.000 2.457 2.270 3.052 . 0 0 "[ . 1]" 1
689 1 65 PHE HZ 1 84 ALA MB 0.000 . 5.000 3.902 3.739 4.354 . 0 0 "[ . 1]" 1
690 1 65 PHE HZ 1 84 ALA H 0.000 . 5.000 3.735 3.558 4.055 . 0 0 "[ . 1]" 1
691 1 65 PHE HB3 1 127 LEU QD 0.000 . 5.000 4.712 2.910 5.081 0.081 4 0 "[ . 1]" 1
692 1 65 PHE HB2 1 127 LEU QD 0.000 . 5.000 4.787 3.182 5.101 0.101 4 0 "[ . 1]" 1
693 1 65 PHE HA 1 130 TYR QE 0.000 . 5.000 3.762 2.570 4.452 . 0 0 "[ . 1]" 1
694 1 65 PHE QD 1 131 MET ME 0.000 . 5.000 4.702 3.901 5.031 0.031 6 0 "[ . 1]" 1
695 1 65 PHE QE 1 131 MET HA 0.000 . 5.000 3.101 2.915 3.218 . 0 0 "[ . 1]" 1
696 1 65 PHE QE 1 134 ALA MB 0.000 . 5.000 3.515 3.349 3.755 . 0 0 "[ . 1]" 1
697 1 65 PHE HZ 1 134 ALA MB 0.000 . 5.000 4.715 4.504 5.004 0.004 6 0 "[ . 1]" 1
698 1 66 VAL H 1 66 VAL MG2 0.000 . 3.300 1.883 1.748 2.066 . 0 0 "[ . 1]" 1
699 1 66 VAL HA 1 67 ALA MB 0.000 . 5.000 5.022 5.008 5.041 0.041 6 0 "[ . 1]" 1
700 1 66 VAL HA 1 67 ALA H 0.000 . 4.900 3.539 3.530 3.553 . 0 0 "[ . 1]" 1
701 1 66 VAL HB 1 67 ALA MB 0.000 . 5.000 3.964 3.886 3.999 . 0 0 "[ . 1]" 1
702 1 66 VAL HB 1 67 ALA H 0.000 . 3.200 2.499 2.451 2.556 . 0 0 "[ . 1]" 1
703 1 66 VAL MG1 1 67 ALA HA 0.000 . 5.000 3.788 3.647 4.000 . 0 0 "[ . 1]" 1
704 1 66 VAL MG1 1 67 ALA MB 0.000 . 5.000 4.371 4.245 4.575 . 0 0 "[ . 1]" 1
705 1 66 VAL MG1 1 67 ALA H 0.000 . 4.500 3.560 3.464 3.714 . 0 0 "[ . 1]" 1
706 1 66 VAL MG2 1 67 ALA H 0.000 . 4.700 3.680 3.591 3.783 . 0 0 "[ . 1]" 1
707 1 66 VAL H 1 67 ALA H 0.000 . 3.200 2.724 2.672 2.773 . 0 0 "[ . 1]" 1
708 1 66 VAL H 1 68 LEU H 0.000 . 5.000 4.151 4.016 4.284 . 0 0 "[ . 1]" 1
709 1 66 VAL HA 1 68 LEU H 0.000 . 5.000 4.296 3.884 4.720 . 0 0 "[ . 1]" 1
710 1 66 VAL HB 1 68 LEU H 0.000 . 5.000 4.959 4.752 5.088 0.088 6 0 "[ . 1]" 1
711 1 66 VAL HA 1 69 MET QB 0.000 . 5.000 2.822 2.454 3.054 . 0 0 "[ . 1]" 1
712 1 66 VAL HA 1 69 MET ME 0.000 . 5.000 2.925 2.233 3.648 . 0 0 "[ . 1]" 1
713 1 66 VAL HA 1 69 MET QG 0.000 . 5.000 3.027 2.486 3.839 . 0 0 "[ . 1]" 1
714 1 66 VAL MG1 1 69 MET QB 0.000 . 5.000 3.306 3.026 3.712 . 0 0 "[ . 1]" 1
715 1 66 VAL MG1 1 69 MET ME 0.000 . 5.000 3.922 3.189 4.591 . 0 0 "[ . 1]" 1
716 1 66 VAL MG1 1 69 MET H 0.000 . 5.000 4.503 4.189 4.866 . 0 0 "[ . 1]" 1
717 1 66 VAL MG2 1 69 MET QB 0.000 . 5.000 4.594 4.385 4.825 . 0 0 "[ . 1]" 1
718 1 66 VAL HA 1 69 MET H 0.000 . 5.000 3.364 3.170 3.599 . 0 0 "[ . 1]" 1
719 1 66 VAL HA 1 70 ASP H 0.000 . 5.000 4.389 4.046 4.608 . 0 0 "[ . 1]" 1
720 1 66 VAL MG1 1 70 ASP H 0.000 . 5.000 4.116 3.946 4.275 . 0 0 "[ . 1]" 1
721 1 66 VAL MG2 1 123 ALA MB 0.000 . 5.000 2.866 2.647 3.198 . 0 0 "[ . 1]" 1
722 1 66 VAL HA 1 124 LYS QD 0.000 . 5.000 3.943 2.458 5.191 0.191 3 0 "[ . 1]" 1
723 1 66 VAL HA 1 124 LYS QE 0.000 . 5.000 4.298 3.896 5.060 0.060 10 0 "[ . 1]" 1
724 1 66 VAL MG1 1 124 LYS HA 0.000 . 5.000 4.619 4.096 4.977 . 0 0 "[ . 1]" 1
725 1 66 VAL MG1 1 124 LYS QB 0.000 . 5.000 2.478 1.888 2.742 . 0 0 "[ . 1]" 1
726 1 66 VAL MG1 1 124 LYS QD 0.000 . 5.000 3.248 1.937 3.885 . 0 0 "[ . 1]" 1
727 1 66 VAL MG1 1 124 LYS QE 0.000 . 5.000 3.402 2.968 3.724 . 0 0 "[ . 1]" 1
728 1 66 VAL MG1 1 124 LYS QG 0.000 . 5.000 2.345 1.878 3.209 . 0 0 "[ . 1]" 1
729 1 66 VAL MG2 1 124 LYS HA 0.000 . 5.000 5.086 4.709 5.245 0.245 8 0 "[ . 1]" 1
730 1 66 VAL MG2 1 124 LYS QB 0.000 . 5.000 2.859 2.238 3.118 . 0 0 "[ . 1]" 1
731 1 66 VAL MG2 1 124 LYS QD 0.000 . 5.000 3.592 2.129 4.490 . 0 0 "[ . 1]" 1
732 1 66 VAL MG2 1 124 LYS QG 0.000 . 5.000 2.398 2.051 3.965 . 0 0 "[ . 1]" 1
733 1 66 VAL MG1 1 127 LEU HB3 0.000 . 5.000 5.190 5.121 5.274 0.274 10 0 "[ . 1]" 1
734 1 67 ALA HA 1 68 LEU H 0.000 . 4.900 3.509 3.477 3.534 . 0 0 "[ . 1]" 1
735 1 67 ALA MB 1 68 LEU HA 0.000 . 5.000 3.926 3.858 3.975 . 0 0 "[ . 1]" 1
736 1 67 ALA MB 1 68 LEU HB2 0.000 . 5.000 5.034 4.910 5.141 0.141 8 0 "[ . 1]" 1
737 1 67 ALA MB 1 68 LEU QD 0.000 . 5.000 3.344 2.674 4.424 . 0 0 "[ . 1]" 1
738 1 67 ALA MB 1 68 LEU HG 0.000 . 5.000 3.948 3.620 4.652 . 0 0 "[ . 1]" 1
739 1 67 ALA MB 1 68 LEU H 0.000 . 3.800 2.563 2.325 2.784 . 0 0 "[ . 1]" 1
740 1 67 ALA H 1 68 LEU H 0.000 . 3.300 2.750 2.734 2.768 . 0 0 "[ . 1]" 1
741 1 67 ALA H 1 68 LEU MD1 0.000 . 5.500 5.396 5.288 5.604 0.104 5 0 "[ . 1]" 1
742 1 67 ALA H 1 68 LEU MD2 0.000 . 5.500 4.567 4.135 5.189 . 0 0 "[ . 1]" 1
743 1 67 ALA MB 1 69 MET H 0.000 . 5.000 4.529 4.464 4.639 . 0 0 "[ . 1]" 1
744 1 67 ALA H 1 69 MET QB 0.000 . 5.000 5.039 4.841 5.121 0.121 4 0 "[ . 1]" 1
745 1 67 ALA H 1 69 MET H 0.000 . 5.000 4.193 4.123 4.293 . 0 0 "[ . 1]" 1
746 1 67 ALA HA 1 70 ASP QB 0.000 . 5.000 3.147 2.854 3.869 . 0 0 "[ . 1]" 1
747 1 67 ALA HA 1 70 ASP H 0.000 . 5.000 3.596 3.339 3.883 . 0 0 "[ . 1]" 1
748 1 67 ALA MB 1 70 ASP QB 0.000 . 5.000 4.254 3.881 5.066 0.066 7 0 "[ . 1]" 1
749 1 67 ALA MB 1 70 ASP H 0.000 . 5.000 4.709 4.527 4.866 . 0 0 "[ . 1]" 1
750 1 67 ALA HA 1 71 ALA H 0.000 . 5.000 4.561 4.240 4.915 . 0 0 "[ . 1]" 1
751 1 68 LEU H 1 68 LEU HG 0.000 . 3.100 2.133 1.939 2.617 . 0 0 "[ . 1]" 1
752 1 68 LEU HA 1 69 MET H 0.000 . 5.000 3.535 3.507 3.580 . 0 0 "[ . 1]" 1
753 1 68 LEU HB2 1 69 MET QG 0.000 . 5.000 3.970 3.080 5.096 0.096 6 0 "[ . 1]" 1
754 1 68 LEU HB2 1 69 MET H 0.000 . 4.100 3.041 2.430 3.938 . 0 0 "[ . 1]" 1
755 1 68 LEU QD 1 69 MET H 0.000 . 5.000 3.257 2.305 3.881 . 0 0 "[ . 1]" 1
756 1 68 LEU H 1 69 MET H 0.000 . 3.500 2.617 2.541 2.760 . 0 0 "[ . 1]" 1
757 1 68 LEU HG 1 69 MET H 0.000 . 3.500 3.127 2.002 3.773 0.273 10 0 "[ . 1]" 1
758 1 68 LEU H 1 70 ASP H 0.000 . 5.000 4.223 4.132 4.275 . 0 0 "[ . 1]" 1
759 1 68 LEU HA 1 70 ASP H 0.000 . 5.000 4.435 4.247 4.565 . 0 0 "[ . 1]" 1
760 1 68 LEU HA 1 71 ALA MB 0.000 . 5.000 2.641 2.288 3.022 . 0 0 "[ . 1]" 1
761 1 68 LEU HA 1 71 ALA H 0.000 . 5.000 3.377 3.208 3.540 . 0 0 "[ . 1]" 1
762 1 68 LEU QD 1 71 ALA MB 0.000 . 5.000 3.926 3.563 4.450 . 0 0 "[ . 1]" 1
763 1 68 LEU HA 1 73 GLU QG 0.000 . 5.000 2.981 2.532 3.660 . 0 0 "[ . 1]" 1
764 1 68 LEU QD 1 73 GLU HB3 0.000 . 5.000 4.393 3.560 5.068 0.068 8 0 "[ . 1]" 1
765 1 68 LEU QD 1 73 GLU HB2 0.000 . 5.000 4.163 2.652 5.024 0.024 1 0 "[ . 1]" 1
766 1 68 LEU QD 1 73 GLU QG 0.000 . 5.000 2.926 2.277 3.562 . 0 0 "[ . 1]" 1
767 1 68 LEU QD 1 73 GLU H 0.000 . 5.000 4.633 3.823 5.121 0.121 1 0 "[ . 1]" 1
768 1 68 LEU HG 1 73 GLU QG 0.000 . 5.000 4.981 4.749 5.091 0.091 9 0 "[ . 1]" 1
769 1 68 LEU QD 1 79 GLY QA 0.000 . 5.000 3.312 2.954 3.564 . 0 0 "[ . 1]" 1
770 1 68 LEU QD 1 79 GLY H 0.000 . 5.000 4.901 4.639 5.065 0.065 7 0 "[ . 1]" 1
771 1 68 LEU HB3 1 80 ALA MB 0.000 . 5.000 4.230 3.530 5.139 0.139 5 0 "[ . 1]" 1
772 1 68 LEU HB2 1 80 ALA MB 0.000 . 5.000 4.088 3.855 4.279 . 0 0 "[ . 1]" 1
773 1 68 LEU QD 1 80 ALA HA 0.000 . 5.000 2.129 1.998 2.330 . 0 0 "[ . 1]" 1
774 1 68 LEU QD 1 80 ALA MB 0.000 . 5.000 2.469 2.063 3.020 . 0 0 "[ . 1]" 1
775 1 68 LEU QD 1 80 ALA H 0.000 . 5.000 3.427 3.266 3.616 . 0 0 "[ . 1]" 1
776 1 68 LEU HG 1 80 ALA HA 0.000 . 5.000 4.795 4.622 5.027 0.027 2 0 "[ . 1]" 1
777 1 68 LEU QD 1 83 ALA MB 0.000 . 5.000 2.407 2.114 2.705 . 0 0 "[ . 1]" 1
778 1 68 LEU HB2 1 130 TYR QE 0.000 . 5.000 3.841 2.615 5.078 0.078 7 0 "[ . 1]" 1
779 1 68 LEU QD 1 130 TYR QE 0.000 . 5.000 2.421 1.956 2.940 . 0 0 "[ . 1]" 1
780 1 69 MET H 1 69 MET QG 0.000 . 3.200 2.277 1.907 3.286 0.086 4 0 "[ . 1]" 1
781 1 69 MET HA 1 70 ASP H 0.000 . 4.900 3.549 3.517 3.567 . 0 0 "[ . 1]" 1
782 1 69 MET QB 1 70 ASP H 0.000 . 4.100 2.479 2.400 2.691 . 0 0 "[ . 1]" 1
783 1 69 MET QG 1 70 ASP H 0.000 . 5.000 4.086 3.855 4.429 . 0 0 "[ . 1]" 1
784 1 69 MET H 1 70 ASP H 0.000 . 3.400 2.782 2.733 2.821 . 0 0 "[ . 1]" 1
785 1 69 MET HA 1 72 GLY H 0.000 . 5.000 3.705 3.399 3.990 . 0 0 "[ . 1]" 1
786 1 69 MET HA 1 73 GLU H 0.000 . 5.000 3.822 3.687 3.988 . 0 0 "[ . 1]" 1
787 1 69 MET QB 1 124 LYS QE 0.000 . 5.000 3.325 3.098 3.713 . 0 0 "[ . 1]" 1
788 1 69 MET ME 1 124 LYS QD 0.000 . 5.000 2.872 2.141 4.966 . 0 0 "[ . 1]" 1
789 1 69 MET ME 1 124 LYS QE 0.000 . 5.000 3.493 2.234 4.484 . 0 0 "[ . 1]" 1
790 1 69 MET ME 1 124 LYS QG 0.000 . 5.000 3.493 2.497 5.007 0.007 10 0 "[ . 1]" 1
791 1 69 MET ME 1 126 GLY QA 0.000 . 5.000 4.998 4.751 5.131 0.131 6 0 "[ . 1]" 1
792 1 69 MET ME 1 127 LEU HA 0.000 . 5.000 2.165 1.988 2.496 . 0 0 "[ . 1]" 1
793 1 69 MET ME 1 127 LEU HB2 0.000 . 5.000 2.359 2.234 3.107 . 0 0 "[ . 1]" 1
794 1 69 MET ME 1 127 LEU QD 0.000 . 5.000 3.364 1.906 4.073 . 0 0 "[ . 1]" 1
795 1 69 MET HA 1 130 TYR QE 0.000 . 5.000 4.040 3.737 4.491 . 0 0 "[ . 1]" 1
796 1 69 MET ME 1 130 TYR HB3 0.000 . 5.000 2.285 2.108 3.223 . 0 0 "[ . 1]" 1
797 1 69 MET ME 1 130 TYR HB2 0.000 . 5.000 3.095 2.603 4.028 . 0 0 "[ . 1]" 1
798 1 69 MET ME 1 130 TYR QE 0.000 . 5.000 3.199 2.965 4.017 . 0 0 "[ . 1]" 1
799 1 69 MET ME 1 130 TYR H 0.000 . 5.000 4.256 4.030 4.849 . 0 0 "[ . 1]" 1
800 1 69 MET QG 1 130 TYR QE 0.000 . 5.000 3.050 2.433 3.937 . 0 0 "[ . 1]" 1
801 1 69 MET ME 1 131 MET QG 0.000 . 5.000 4.789 2.818 5.145 0.145 6 0 "[ . 1]" 1
802 1 70 ASP QB 1 71 ALA MB 0.000 . 5.000 3.950 3.716 4.617 . 0 0 "[ . 1]" 1
803 1 70 ASP QB 1 71 ALA H 0.000 . 4.200 2.762 2.466 3.454 . 0 0 "[ . 1]" 1
804 1 70 ASP H 1 71 ALA MB 0.000 . 5.000 4.363 4.190 4.575 . 0 0 "[ . 1]" 1
805 1 70 ASP H 1 71 ALA H 0.000 . 3.300 2.700 2.534 2.895 . 0 0 "[ . 1]" 1
806 1 70 ASP HA 1 72 GLY H 0.000 . 5.000 3.634 3.367 3.947 . 0 0 "[ . 1]" 1
807 1 70 ASP HB3 1 72 GLY H 0.000 . 5.000 5.014 4.658 5.189 0.189 7 0 "[ . 1]" 1
808 1 70 ASP HB2 1 72 GLY H 0.000 . 5.000 4.905 4.699 5.219 0.219 3 0 "[ . 1]" 1
809 1 71 ALA MB 1 72 GLY QA 0.000 . 5.000 4.021 3.977 4.088 . 0 0 "[ . 1]" 1
810 1 71 ALA MB 1 72 GLY H 0.000 . 4.200 3.091 2.921 3.311 . 0 0 "[ . 1]" 1
811 1 71 ALA H 1 72 GLY H 0.000 . 2.800 2.607 2.557 2.671 . 0 0 "[ . 1]" 1
812 1 71 ALA HA 1 73 GLU H 0.000 . 5.000 4.731 4.413 5.007 0.007 10 0 "[ . 1]" 1
813 1 71 ALA MB 1 73 GLU HB3 0.000 . 5.000 3.741 3.119 4.662 . 0 0 "[ . 1]" 1
814 1 71 ALA MB 1 73 GLU HB2 0.000 . 5.000 4.206 3.500 4.706 . 0 0 "[ . 1]" 1
815 1 71 ALA MB 1 73 GLU QG 0.000 . 5.000 2.450 2.012 2.918 . 0 0 "[ . 1]" 1
816 1 71 ALA MB 1 73 GLU H 0.000 . 5.000 2.985 2.881 3.117 . 0 0 "[ . 1]" 1
817 1 71 ALA H 1 73 GLU H 0.000 . 5.000 3.936 3.558 4.188 . 0 0 "[ . 1]" 1
818 1 72 GLY QA 1 73 GLU QG 0.000 . 5.000 4.310 4.199 4.498 . 0 0 "[ . 1]" 1
819 1 72 GLY H 1 73 GLU HA 0.000 . 5.000 5.073 4.997 5.115 0.115 3 0 "[ . 1]" 1
820 1 72 GLY H 1 73 GLU QG 0.000 . 4.500 3.783 3.620 3.946 . 0 0 "[ . 1]" 1
821 1 72 GLY QA 1 73 GLU H 0.000 . 3.500 2.840 2.802 2.886 . 0 0 "[ . 1]" 1
822 1 72 GLY HA2 1 73 GLU H 0.000 . 4.500 3.028 2.936 3.143 . 0 0 "[ . 1]" 1
823 1 73 GLU H 1 73 GLU QG 0.000 . 4.300 2.055 1.864 2.202 . 0 0 "[ . 1]" 1
824 1 73 GLU HA 1 74 PRO QD 0.000 . 3.500 2.027 1.947 2.094 . 0 0 "[ . 1]" 1
825 1 73 GLU H 1 74 PRO QD 0.000 . 4.600 4.327 4.191 4.450 . 0 0 "[ . 1]" 1
826 1 74 PRO HA 1 75 ALA MB 0.000 . 5.000 3.920 3.879 3.981 . 0 0 "[ . 1]" 1
827 1 74 PRO HA 1 75 ALA H 0.000 . 3.500 2.229 2.149 2.295 . 0 0 "[ . 1]" 1
828 1 74 PRO HB3 1 75 ALA H 0.000 . 3.300 3.094 3.002 3.425 0.125 1 0 "[ . 1]" 1
829 1 74 PRO HB2 1 75 ALA H 0.000 . 3.300 3.313 3.032 3.400 0.100 10 0 "[ . 1]" 1
830 1 74 PRO QG 1 75 ALA H 0.000 . 4.500 4.523 4.487 4.572 0.072 6 0 "[ . 1]" 1
831 1 74 PRO HA 1 76 ASP H 0.000 . 5.000 4.088 3.926 4.198 . 0 0 "[ . 1]" 1
832 1 74 PRO QB 1 76 ASP H 0.000 . 5.000 2.554 2.411 2.635 . 0 0 "[ . 1]" 1
833 1 74 PRO QG 1 76 ASP H 0.000 . 5.000 4.523 4.087 4.653 . 0 0 "[ . 1]" 1
834 1 74 PRO QD 1 77 SER HA 0.000 . 5.000 4.726 4.552 5.033 0.033 1 0 "[ . 1]" 1
835 1 74 PRO QD 1 77 SER QB 0.000 . 5.000 2.747 2.276 3.860 . 0 0 "[ . 1]" 1
836 1 74 PRO QG 1 77 SER HA 0.000 . 5.000 4.885 3.766 5.047 0.047 8 0 "[ . 1]" 1
837 1 74 PRO QG 1 77 SER QB 0.000 . 5.000 3.637 3.265 4.698 . 0 0 "[ . 1]" 1
838 1 74 PRO QG 1 77 SER H 0.000 . 5.000 4.791 3.938 5.019 0.019 5 0 "[ . 1]" 1
839 1 74 PRO HA 1 77 SER H 0.000 . 5.000 4.972 4.904 5.014 0.014 6 0 "[ . 1]" 1
840 1 74 PRO QB 1 77 SER H 0.000 . 5.000 3.314 3.170 3.578 . 0 0 "[ . 1]" 1
841 1 74 PRO HA 1 130 TYR QE 0.000 . 5.000 3.126 2.690 3.736 . 0 0 "[ . 1]" 1
842 1 75 ALA HA 1 76 ASP H 0.000 . 4.300 3.470 3.436 3.522 . 0 0 "[ . 1]" 1
843 1 75 ALA MB 1 76 ASP H 0.000 . 4.100 3.143 2.965 3.245 . 0 0 "[ . 1]" 1
844 1 75 ALA H 1 76 ASP H 0.000 . 3.300 2.757 2.731 2.778 . 0 0 "[ . 1]" 1
845 1 75 ALA HA 1 77 SER H 0.000 . 5.000 3.520 3.355 3.642 . 0 0 "[ . 1]" 1
846 1 75 ALA MB 1 77 SER H 0.000 . 5.000 4.329 4.150 4.440 . 0 0 "[ . 1]" 1
847 1 75 ALA H 1 77 SER QB 0.000 . 5.000 5.030 4.938 5.148 0.148 5 0 "[ . 1]" 1
848 1 75 ALA H 1 77 SER H 0.000 . 5.000 4.270 4.194 4.342 . 0 0 "[ . 1]" 1
849 1 75 ALA HA 1 80 ALA MB 0.000 . 5.000 2.111 2.035 2.188 . 0 0 "[ . 1]" 1
850 1 75 ALA MB 1 80 ALA MB 0.000 . 5.000 3.207 3.106 3.329 . 0 0 "[ . 1]" 1
851 1 75 ALA HA 1 130 TYR QD 0.000 . 5.000 4.029 3.698 4.188 . 0 0 "[ . 1]" 1
852 1 75 ALA HA 1 130 TYR QE 0.000 . 5.000 2.739 2.338 2.987 . 0 0 "[ . 1]" 1
853 1 75 ALA MB 1 130 TYR HA 0.000 . 5.000 2.918 2.762 3.006 . 0 0 "[ . 1]" 1
854 1 75 ALA MB 1 130 TYR HB3 0.000 . 5.000 4.282 4.042 4.530 . 0 0 "[ . 1]" 1
855 1 75 ALA MB 1 130 TYR HB2 0.000 . 5.000 4.112 3.996 4.232 . 0 0 "[ . 1]" 1
856 1 75 ALA MB 1 130 TYR QD 0.000 . 5.000 2.518 2.191 2.870 . 0 0 "[ . 1]" 1
857 1 75 ALA MB 1 130 TYR QE 0.000 . 5.000 2.553 2.283 2.847 . 0 0 "[ . 1]" 1
858 1 75 ALA MB 1 130 TYR H 0.000 . 5.000 5.123 5.016 5.224 0.224 8 0 "[ . 1]" 1
859 1 75 ALA H 1 130 TYR QE 0.000 . 5.000 2.672 2.254 3.099 . 0 0 "[ . 1]" 1
860 1 75 ALA MB 1 131 MET HA 0.000 . 5.000 4.413 4.117 4.637 . 0 0 "[ . 1]" 1
861 1 75 ALA MB 1 133 ASP HA 0.000 . 5.000 4.801 4.115 5.097 0.097 3 0 "[ . 1]" 1
862 1 75 ALA MB 1 133 ASP HB3 0.000 . 5.000 3.918 2.168 4.299 . 0 0 "[ . 1]" 1
863 1 75 ALA MB 1 133 ASP HB2 0.000 . 5.000 3.213 2.684 3.461 . 0 0 "[ . 1]" 1
864 1 75 ALA MB 1 133 ASP H 0.000 . 5.000 4.305 3.837 4.532 . 0 0 "[ . 1]" 1
865 1 75 ALA HA 1 134 ALA HA 0.000 . 5.000 4.643 4.204 5.044 0.044 5 0 "[ . 1]" 1
866 1 75 ALA HA 1 134 ALA MB 0.000 . 5.000 3.514 3.243 3.823 . 0 0 "[ . 1]" 1
867 1 75 ALA MB 1 134 ALA HA 0.000 . 5.000 3.262 2.589 3.916 . 0 0 "[ . 1]" 1
868 1 75 ALA MB 1 134 ALA MB 0.000 . 5.000 2.563 2.223 3.000 . 0 0 "[ . 1]" 1
869 1 75 ALA MB 1 134 ALA H 0.000 . 5.000 3.060 2.519 3.508 . 0 0 "[ . 1]" 1
870 1 76 ASP HA 1 77 SER H 0.000 . 3.900 3.089 3.051 3.117 . 0 0 "[ . 1]" 1
871 1 76 ASP QB 1 77 SER HA 0.000 . 5.000 4.446 4.193 4.661 . 0 0 "[ . 1]" 1
872 1 76 ASP H 1 77 SER QB 0.000 . 5.000 4.086 3.907 4.482 . 0 0 "[ . 1]" 1
873 1 76 ASP H 1 77 SER H 0.000 . 2.900 2.485 2.321 2.604 . 0 0 "[ . 1]" 1
874 1 76 ASP QB 1 77 SER H 0.000 . 4.500 3.702 3.614 3.982 . 0 0 "[ . 1]" 1
875 1 76 ASP HA 1 81 MET ME 0.000 . 5.000 3.648 3.246 4.875 . 0 0 "[ . 1]" 1
876 1 76 ASP HA 1 81 MET QG 0.000 . 5.000 5.051 5.007 5.102 0.102 2 0 "[ . 1]" 1
877 1 76 ASP HA 1 81 MET HA 0.000 . 5.000 4.220 3.989 4.473 . 0 0 "[ . 1]" 1
878 1 76 ASP HA 1 137 ALA MB 0.000 . 5.000 2.941 2.557 3.140 . 0 0 "[ . 1]" 1
879 1 76 ASP QB 1 137 ALA MB 0.000 . 5.000 2.796 2.175 3.338 . 0 0 "[ . 1]" 1
880 1 77 SER HA 1 78 GLU HA 0.000 . 5.000 4.286 4.273 4.297 . 0 0 "[ . 1]" 1
881 1 77 SER HA 1 78 GLU QB 0.000 . 5.000 4.685 4.585 4.736 . 0 0 "[ . 1]" 1
882 1 77 SER HA 1 78 GLU H 0.000 . 2.400 2.377 2.327 2.407 0.007 10 0 "[ . 1]" 1
883 1 77 SER QB 1 78 GLU QB 0.000 . 5.000 4.523 3.985 5.047 0.047 4 0 "[ . 1]" 1
884 1 77 SER H 1 78 GLU H 0.000 . 4.500 4.588 4.580 4.594 0.094 10 0 "[ . 1]" 1
885 1 77 SER QB 1 79 GLY H 0.000 . 5.000 3.469 3.020 3.664 . 0 0 "[ . 1]" 1
886 1 77 SER H 1 80 ALA MB 0.000 . 5.000 2.366 2.215 2.495 . 0 0 "[ . 1]" 1
887 1 77 SER HB3 1 80 ALA H 0.000 . 5.000 2.916 2.586 4.319 . 0 0 "[ . 1]" 1
888 1 77 SER HB2 1 80 ALA H 0.000 . 5.000 3.952 2.674 4.359 . 0 0 "[ . 1]" 1
889 1 77 SER HA 1 81 MET HB3 0.000 . 5.000 4.818 4.584 5.025 0.025 3 0 "[ . 1]" 1
890 1 77 SER HA 1 81 MET ME 0.000 . 5.000 3.444 3.184 4.272 . 0 0 "[ . 1]" 1
891 1 78 GLU H 1 78 GLU QG 0.000 . 3.000 2.415 2.014 3.074 0.074 3 0 "[ . 1]" 1
892 1 78 GLU QB 1 79 GLY H 0.000 . 3.000 2.313 2.219 3.082 0.082 4 0 "[ . 1]" 1
893 1 78 GLU H 1 79 GLY H 0.000 . 3.500 2.975 2.942 2.988 . 0 0 "[ . 1]" 1
894 1 78 GLU QG 1 79 GLY H 0.000 . 4.500 3.813 1.699 4.244 . 0 0 "[ . 1]" 1
895 1 78 GLU H 1 80 ALA H 0.000 . 5.000 4.255 4.217 4.312 . 0 0 "[ . 1]" 1
896 1 78 GLU HA 1 81 MET HB3 0.000 . 5.000 3.833 3.050 4.144 . 0 0 "[ . 1]" 1
897 1 78 GLU HA 1 81 MET ME 0.000 . 5.000 2.285 2.034 2.559 . 0 0 "[ . 1]" 1
898 1 78 GLU HA 1 81 MET QG 0.000 . 5.000 2.848 2.306 4.230 . 0 0 "[ . 1]" 1
899 1 78 GLU HA 1 81 MET H 0.000 . 5.000 3.931 3.760 4.082 . 0 0 "[ . 1]" 1
900 1 78 GLU QB 1 81 MET ME 0.000 . 5.000 3.909 3.515 4.221 . 0 0 "[ . 1]" 1
901 1 78 GLU QG 1 81 MET ME 0.000 . 5.000 3.354 2.994 4.458 . 0 0 "[ . 1]" 1
902 1 78 GLU HA 1 82 ASP H 0.000 . 5.000 3.724 3.628 3.789 . 0 0 "[ . 1]" 1
903 1 79 GLY QA 1 80 ALA H 0.000 . 4.400 2.710 2.689 2.722 . 0 0 "[ . 1]" 1
904 1 79 GLY H 1 80 ALA MB 0.000 . 5.000 4.476 4.437 4.503 . 0 0 "[ . 1]" 1
905 1 79 GLY H 1 80 ALA H 0.000 . 3.200 2.801 2.784 2.827 . 0 0 "[ . 1]" 1
906 1 79 GLY H 1 81 MET H 0.000 . 5.000 4.522 4.357 4.558 . 0 0 "[ . 1]" 1
907 1 79 GLY QA 1 82 ASP QB 0.000 . 5.000 2.978 2.569 4.042 . 0 0 "[ . 1]" 1
908 1 79 GLY QA 1 82 ASP H 0.000 . 5.000 3.824 3.631 3.991 . 0 0 "[ . 1]" 1
909 1 79 GLY H 1 82 ASP H 0.000 . 5.000 4.796 4.678 4.979 . 0 0 "[ . 1]" 1
910 1 79 GLY HA3 1 83 ALA H 0.000 . 5.000 5.049 5.010 5.126 0.126 8 0 "[ . 1]" 1
911 1 79 GLY HA2 1 83 ALA H 0.000 . 5.000 4.143 4.096 4.223 . 0 0 "[ . 1]" 1
912 1 80 ALA MB 1 81 MET HA 0.000 . 5.000 3.749 3.678 3.803 . 0 0 "[ . 1]" 1
913 1 80 ALA MB 1 81 MET HB3 0.000 . 5.000 3.899 3.828 4.024 . 0 0 "[ . 1]" 1
914 1 80 ALA MB 1 81 MET QG 0.000 . 5.000 4.744 4.484 5.157 0.157 10 0 "[ . 1]" 1
915 1 80 ALA MB 1 81 MET H 0.000 . 3.800 2.383 2.272 2.552 . 0 0 "[ . 1]" 1
916 1 80 ALA H 1 81 MET ME 0.000 . 5.000 4.842 4.724 5.095 0.095 2 0 "[ . 1]" 1
917 1 80 ALA H 1 81 MET H 0.000 . 3.200 2.728 2.686 2.758 . 0 0 "[ . 1]" 1
918 1 80 ALA MB 1 82 ASP H 0.000 . 5.000 4.490 4.434 4.594 . 0 0 "[ . 1]" 1
919 1 80 ALA H 1 82 ASP H 0.000 . 5.000 4.100 4.032 4.294 . 0 0 "[ . 1]" 1
920 1 80 ALA HA 1 83 ALA MB 0.000 . 5.000 2.454 2.292 2.649 . 0 0 "[ . 1]" 1
921 1 80 ALA HA 1 83 ALA H 0.000 . 5.000 3.456 3.349 3.635 . 0 0 "[ . 1]" 1
922 1 80 ALA MB 1 83 ALA MB 0.000 . 5.000 3.679 3.579 3.799 . 0 0 "[ . 1]" 1
923 1 80 ALA MB 1 130 TYR QE 0.000 . 5.000 2.879 2.439 3.244 . 0 0 "[ . 1]" 1
924 1 80 ALA MB 1 134 ALA HA 0.000 . 5.000 4.051 3.570 4.363 . 0 0 "[ . 1]" 1
925 1 81 MET H 1 81 MET QG 0.000 . 3.600 2.993 2.503 3.767 0.167 2 0 "[ . 1]" 1
926 1 81 MET HA 1 82 ASP H 0.000 . 4.800 3.562 3.545 3.599 . 0 0 "[ . 1]" 1
927 1 81 MET ME 1 82 ASP H 0.000 . 4.700 3.913 3.225 4.216 . 0 0 "[ . 1]" 1
928 1 81 MET QG 1 82 ASP H 0.000 . 5.000 2.177 1.991 2.791 . 0 0 "[ . 1]" 1
929 1 81 MET H 1 82 ASP H 0.000 . 3.300 2.721 2.516 2.885 . 0 0 "[ . 1]" 1
930 1 81 MET H 1 83 ALA H 0.000 . 5.000 4.000 3.826 4.141 . 0 0 "[ . 1]" 1
931 1 81 MET HA 1 84 ALA MB 0.000 . 5.000 2.515 2.277 2.696 . 0 0 "[ . 1]" 1
932 1 81 MET HA 1 84 ALA H 0.000 . 5.000 3.168 2.955 3.283 . 0 0 "[ . 1]" 1
933 1 81 MET QG 1 84 ALA MB 0.000 . 5.000 4.218 3.667 4.439 . 0 0 "[ . 1]" 1
934 1 81 MET HA 1 85 GLU H 0.000 . 5.000 4.380 4.076 4.664 . 0 0 "[ . 1]" 1
935 1 81 MET HG3 1 85 GLU H 0.000 . 5.000 4.655 4.415 4.905 . 0 0 "[ . 1]" 1
936 1 81 MET HA 1 134 ALA HA 0.000 . 5.000 3.295 2.987 3.573 . 0 0 "[ . 1]" 1
937 1 81 MET HA 1 134 ALA MB 0.000 . 5.000 2.514 2.294 2.907 . 0 0 "[ . 1]" 1
938 1 81 MET HB2 1 134 ALA HA 0.000 . 5.000 4.128 3.718 4.475 . 0 0 "[ . 1]" 1
939 1 81 MET QG 1 134 ALA MB 0.000 . 5.000 4.995 4.798 5.160 0.160 8 0 "[ . 1]" 1
940 1 81 MET HB2 1 137 ALA MB 0.000 . 5.000 3.328 3.142 3.615 . 0 0 "[ . 1]" 1
941 1 81 MET ME 1 137 ALA MB 0.000 . 5.000 3.748 3.079 5.015 0.015 2 0 "[ . 1]" 1
942 1 81 MET QG 1 137 ALA MB 0.000 . 5.000 4.711 4.383 5.001 0.001 6 0 "[ . 1]" 1
943 1 81 MET HA 1 138 ASN HA 0.000 . 5.000 4.880 4.477 5.037 0.037 6 0 "[ . 1]" 1
944 1 81 MET HA 1 138 ASN HB3 0.000 . 5.000 4.741 4.471 5.038 0.038 6 0 "[ . 1]" 1
945 1 81 MET HA 1 138 ASN HB2 0.000 . 5.000 3.254 2.883 3.496 . 0 0 "[ . 1]" 1
946 1 81 MET HB3 1 138 ASN HA 0.000 . 5.000 4.780 4.497 5.021 0.021 2 0 "[ . 1]" 1
947 1 81 MET HB2 1 138 ASN HA 0.000 . 5.000 3.266 2.931 3.833 . 0 0 "[ . 1]" 1
948 1 81 MET HB2 1 138 ASN HB3 0.000 . 5.000 4.490 4.005 5.210 0.210 2 0 "[ . 1]" 1
949 1 81 MET HB2 1 138 ASN HB2 0.000 . 5.000 2.870 2.372 3.583 . 0 0 "[ . 1]" 1
950 1 81 MET ME 1 138 ASN HA 0.000 . 5.000 4.567 4.374 4.816 . 0 0 "[ . 1]" 1
951 1 81 MET QG 1 138 ASN HA 0.000 . 5.000 3.485 2.476 3.859 . 0 0 "[ . 1]" 1
952 1 81 MET QG 1 138 ASN HB3 0.000 . 5.000 4.878 3.871 5.186 0.186 3 0 "[ . 1]" 1
953 1 81 MET QG 1 138 ASN HB2 0.000 . 5.000 3.312 2.307 3.622 . 0 0 "[ . 1]" 1
954 1 81 MET QG 1 138 ASN H 0.000 . 5.000 4.902 4.055 5.167 0.167 6 0 "[ . 1]" 1
955 1 81 MET ME 1 141 ARG QD 0.000 . 5.000 4.120 3.355 4.767 . 0 0 "[ . 1]" 1
956 1 81 MET ME 1 141 ARG HE 0.000 . 5.000 3.937 2.955 5.021 0.021 8 0 "[ . 1]" 1
957 1 81 MET ME 1 141 ARG QG 0.000 . 5.000 4.441 3.707 5.017 0.017 6 0 "[ . 1]" 1
958 1 82 ASP QB 1 83 ALA MB 0.000 . 5.000 4.042 3.834 4.678 . 0 0 "[ . 1]" 1
959 1 82 ASP QB 1 83 ALA H 0.000 . 4.100 2.758 2.528 3.461 . 0 0 "[ . 1]" 1
960 1 82 ASP H 1 83 ALA MB 0.000 . 5.000 4.229 4.156 4.318 . 0 0 "[ . 1]" 1
961 1 82 ASP H 1 83 ALA H 0.000 . 3.000 2.628 2.573 2.672 . 0 0 "[ . 1]" 1
962 1 82 ASP HA 1 83 ALA H 0.000 . 4.500 3.501 3.451 3.531 . 0 0 "[ . 1]" 1
963 1 82 ASP H 1 84 ALA H 0.000 . 5.000 4.129 3.937 4.217 . 0 0 "[ . 1]" 1
964 1 82 ASP HA 1 85 GLU HB3 0.000 . 5.000 2.568 2.308 3.823 . 0 0 "[ . 1]" 1
965 1 82 ASP HA 1 85 GLU HB2 0.000 . 5.000 4.109 3.917 4.900 . 0 0 "[ . 1]" 1
966 1 82 ASP HA 1 85 GLU H 0.000 . 5.000 3.098 2.979 3.298 . 0 0 "[ . 1]" 1
967 1 82 ASP QB 1 86 ASP H 0.000 . 5.000 4.743 4.592 4.962 . 0 0 "[ . 1]" 1
968 1 83 ALA HA 1 84 ALA H 0.000 . 5.000 3.545 3.511 3.565 . 0 0 "[ . 1]" 1
969 1 83 ALA MB 1 84 ALA HA 0.000 . 5.000 3.723 3.674 3.765 . 0 0 "[ . 1]" 1
970 1 83 ALA MB 1 84 ALA MB 0.000 . 5.000 3.707 3.631 3.759 . 0 0 "[ . 1]" 1
971 1 83 ALA MB 1 84 ALA H 0.000 . 3.700 2.494 2.417 2.611 . 0 0 "[ . 1]" 1
972 1 83 ALA H 1 84 ALA H 0.000 . 3.000 2.711 2.602 2.774 . 0 0 "[ . 1]" 1
973 1 83 ALA H 1 84 ALA MB 0.000 . 5.000 4.300 4.204 4.377 . 0 0 "[ . 1]" 1
974 1 83 ALA HA 1 85 GLU H 0.000 . 5.000 4.393 4.212 4.572 . 0 0 "[ . 1]" 1
975 1 83 ALA H 1 85 GLU QG 0.000 . 5.000 4.887 4.361 5.045 0.045 2 0 "[ . 1]" 1
976 1 83 ALA HA 1 86 ASP HA 0.000 . 5.000 5.100 5.060 5.133 0.133 5 0 "[ . 1]" 1
977 1 83 ALA HA 1 86 ASP QB 0.000 . 5.000 2.539 2.388 2.859 . 0 0 "[ . 1]" 1
978 1 83 ALA HA 1 86 ASP H 0.000 . 5.000 3.260 3.193 3.368 . 0 0 "[ . 1]" 1
979 1 83 ALA MB 1 86 ASP QB 0.000 . 5.000 3.663 3.632 3.728 . 0 0 "[ . 1]" 1
980 1 84 ALA MB 1 85 GLU H 0.000 . 3.900 2.643 2.528 2.755 . 0 0 "[ . 1]" 1
981 1 84 ALA H 1 85 GLU H 0.000 . 3.500 2.723 2.691 2.848 . 0 0 "[ . 1]" 1
982 1 84 ALA HA 1 86 ASP H 0.000 . 5.000 3.954 3.823 4.198 . 0 0 "[ . 1]" 1
983 1 84 ALA HA 1 87 HIS HB3 0.000 . 5.000 2.813 2.557 3.085 . 0 0 "[ . 1]" 1
984 1 84 ALA HA 1 87 HIS HB2 0.000 . 5.000 3.035 2.717 3.265 . 0 0 "[ . 1]" 1
985 1 84 ALA HA 1 87 HIS H 0.000 . 5.000 3.107 2.888 3.222 . 0 0 "[ . 1]" 1
986 1 84 ALA MB 1 87 HIS HB2 0.000 . 5.000 4.531 4.241 4.750 . 0 0 "[ . 1]" 1
987 1 84 ALA MB 1 87 HIS H 0.000 . 5.000 4.384 4.273 4.509 . 0 0 "[ . 1]" 1
988 1 84 ALA HA 1 88 ARG QB 0.000 . 5.000 4.835 4.492 5.045 0.045 1 0 "[ . 1]" 1
989 1 84 ALA HA 1 88 ARG H 0.000 . 5.000 4.074 3.693 4.367 . 0 0 "[ . 1]" 1
990 1 84 ALA MB 1 134 ALA HA 0.000 . 5.000 3.731 3.367 4.211 . 0 0 "[ . 1]" 1
991 1 84 ALA MB 1 134 ALA MB 0.000 . 5.000 2.143 1.928 2.595 . 0 0 "[ . 1]" 1
992 1 84 ALA H 1 134 ALA MB 0.000 . 5.000 3.282 2.986 3.482 . 0 0 "[ . 1]" 1
993 1 84 ALA MB 1 135 ILE HA 0.000 . 5.000 2.101 2.010 2.235 . 0 0 "[ . 1]" 1
994 1 84 ALA MB 1 135 ILE QG 0.000 . 5.000 1.969 1.881 2.082 . 0 0 "[ . 1]" 1
995 1 84 ALA MB 1 135 ILE MG 0.000 . 5.000 3.302 2.985 3.560 . 0 0 "[ . 1]" 1
996 1 84 ALA HA 1 138 ASN QD 0.000 . 5.000 5.053 5.004 5.090 0.090 7 0 "[ . 1]" 1
997 1 84 ALA MB 1 138 ASN HA 0.000 . 5.000 4.751 4.574 5.040 0.040 6 0 "[ . 1]" 1
998 1 84 ALA MB 1 138 ASN HB3 0.000 . 5.000 2.974 2.749 3.376 . 0 0 "[ . 1]" 1
999 1 84 ALA MB 1 138 ASN HB2 0.000 . 5.000 2.683 2.476 2.993 . 0 0 "[ . 1]" 1
1000 1 85 GLU HB3 1 86 ASP H 0.000 . 5.000 3.574 3.325 4.081 . 0 0 "[ . 1]" 1
1001 1 85 GLU HB2 1 86 ASP H 0.000 . 4.600 4.229 4.052 4.294 . 0 0 "[ . 1]" 1
1002 1 85 GLU QG 1 86 ASP HA 0.000 . 5.000 3.307 3.072 4.360 . 0 0 "[ . 1]" 1
1003 1 85 GLU H 1 86 ASP H 0.000 . 3.500 2.571 2.484 2.641 . 0 0 "[ . 1]" 1
1004 1 85 GLU H 1 86 ASP QB 0.000 . 5.000 4.459 4.283 4.729 . 0 0 "[ . 1]" 1
1005 1 85 GLU QG 1 86 ASP H 0.000 . 4.500 2.515 2.337 2.784 . 0 0 "[ . 1]" 1
1006 1 85 GLU HA 1 88 ARG QB 0.000 . 5.000 2.508 2.400 2.659 . 0 0 "[ . 1]" 1
1007 1 85 GLU HA 1 88 ARG QD 0.000 . 5.000 3.737 3.224 5.085 0.085 5 0 "[ . 1]" 1
1008 1 85 GLU QG 1 88 ARG QB 0.000 . 5.000 4.651 4.170 5.031 0.031 3 0 "[ . 1]" 1
1009 1 85 GLU HA 1 103 HIS HE1 0.000 . 5.000 4.108 3.973 4.303 . 0 0 "[ . 1]" 1
1010 1 85 GLU HA 1 138 ASN QD 0.000 . 5.000 2.622 2.176 2.983 . 0 0 "[ . 1]" 1
1011 1 85 GLU HB3 1 138 ASN QD 0.000 . 5.000 2.642 1.765 3.612 . 0 0 "[ . 1]" 1
1012 1 86 ASP HA 1 87 HIS H 0.000 . 5.000 3.529 3.511 3.543 . 0 0 "[ . 1]" 1
1013 1 86 ASP QB 1 87 HIS H 0.000 . 4.800 2.589 2.463 2.735 . 0 0 "[ . 1]" 1
1014 1 86 ASP H 1 87 HIS H 0.000 . 3.000 2.525 2.469 2.634 . 0 0 "[ . 1]" 1
1015 1 86 ASP H 1 88 ARG H 0.000 . 5.000 3.887 3.668 4.245 . 0 0 "[ . 1]" 1
1016 1 86 ASP HA 1 89 GLN QB 0.000 . 5.000 3.363 3.040 4.294 . 0 0 "[ . 1]" 1
1017 1 86 ASP HA 1 89 GLN QG 0.000 . 5.000 3.770 2.290 4.870 . 0 0 "[ . 1]" 1
1018 1 86 ASP HA 1 89 GLN H 0.000 . 5.000 3.791 3.589 4.080 . 0 0 "[ . 1]" 1
1019 1 86 ASP HA 1 90 GLY H 0.000 . 5.000 4.148 3.649 4.453 . 0 0 "[ . 1]" 1
1020 1 87 HIS H 1 87 HIS HD2 0.000 . 4.500 4.742 4.698 4.768 0.268 9 0 "[ . 1]" 1
1021 1 87 HIS HA 1 88 ARG H 0.000 . 5.000 3.487 3.450 3.528 . 0 0 "[ . 1]" 1
1022 1 87 HIS HB3 1 88 ARG H 0.000 . 5.000 2.552 2.247 2.735 . 0 0 "[ . 1]" 1
1023 1 87 HIS HB2 1 88 ARG H 0.000 . 5.000 3.724 3.622 3.859 . 0 0 "[ . 1]" 1
1024 1 87 HIS H 1 88 ARG H 0.000 . 4.700 2.528 2.433 2.627 . 0 0 "[ . 1]" 1
1025 1 87 HIS H 1 88 ARG HB2 0.000 . 4.500 4.611 4.541 4.674 0.174 10 0 "[ . 1]" 1
1026 1 87 HIS HA 1 90 GLY H 0.000 . 5.000 3.708 3.445 4.018 . 0 0 "[ . 1]" 1
1027 1 87 HIS HE1 1 91 ILE MG 0.000 . 5.000 3.966 2.453 4.855 . 0 0 "[ . 1]" 1
1028 1 87 HIS HE2 1 91 ILE MG 0.000 . 5.000 3.826 3.089 5.035 0.035 6 0 "[ . 1]" 1
1029 1 87 HIS QB 1 103 HIS HE2 0.000 . 5.000 2.904 2.634 3.114 . 0 0 "[ . 1]" 1
1030 1 87 HIS HE1 1 103 HIS HE2 0.000 . 5.000 3.584 3.415 3.794 . 0 0 "[ . 1]" 1
1031 1 87 HIS HE1 1 120 ILE MD 0.000 . 5.000 5.098 5.040 5.168 0.168 6 0 "[ . 1]" 1
1032 1 87 HIS HE2 1 131 MET ME 0.000 . 5.000 3.682 2.641 4.067 . 0 0 "[ . 1]" 1
1033 1 87 HIS HD2 1 131 MET ME 0.000 . 5.000 4.621 3.277 5.168 0.168 4 0 "[ . 1]" 1
1034 1 87 HIS HE1 1 131 MET ME 0.000 . 5.000 2.574 2.006 4.042 . 0 0 "[ . 1]" 1
1035 1 88 ARG QB 1 89 GLN QG 0.000 . 5.000 3.363 2.853 5.188 0.188 4 0 "[ . 1]" 1
1036 1 88 ARG QB 1 89 GLN H 0.000 . 5.000 1.981 1.828 2.186 . 0 0 "[ . 1]" 1
1037 1 88 ARG HE 1 89 GLN QE 0.000 . 5.000 4.047 2.189 5.156 0.156 5 0 "[ . 1]" 1
1038 1 88 ARG H 1 90 GLY H 0.000 . 5.000 3.891 3.736 4.050 . 0 0 "[ . 1]" 1
1039 1 88 ARG HA 1 91 ILE HB 0.000 . 5.000 4.940 4.626 5.212 0.212 3 0 "[ . 1]" 1
1040 1 88 ARG HA 1 91 ILE MG 0.000 . 5.000 2.678 2.156 3.934 . 0 0 "[ . 1]" 1
1041 1 88 ARG QD 1 100 TYR QD 0.000 . 5.000 3.178 2.636 4.129 . 0 0 "[ . 1]" 1
1042 1 88 ARG QD 1 100 TYR QE 0.000 . 5.000 3.423 2.660 4.082 . 0 0 "[ . 1]" 1
1043 1 88 ARG HE 1 100 TYR QE 0.000 . 5.000 3.429 2.385 5.027 0.027 5 0 "[ . 1]" 1
1044 1 88 ARG HA 1 103 HIS HE2 0.000 . 5.000 3.726 3.571 3.832 . 0 0 "[ . 1]" 1
1045 1 88 ARG QB 1 103 HIS HE2 0.000 . 5.000 4.310 4.137 4.561 . 0 0 "[ . 1]" 1
1046 1 88 ARG QB 1 103 HIS HE1 0.000 . 5.000 2.328 2.261 2.439 . 0 0 "[ . 1]" 1
1047 1 88 ARG QB 1 135 ILE MG 0.000 . 5.000 3.975 3.838 4.117 . 0 0 "[ . 1]" 1
1048 1 89 GLN H 1 89 GLN QG 0.000 . 5.000 2.409 2.033 3.982 . 0 0 "[ . 1]" 1
1049 1 89 GLN QB 1 90 GLY H 0.000 . 5.000 2.877 2.786 3.582 . 0 0 "[ . 1]" 1
1050 1 89 GLN H 1 90 GLY H 0.000 . 5.000 2.742 2.653 2.836 . 0 0 "[ . 1]" 1
1051 1 89 GLN QG 1 90 GLY H 0.000 . 4.500 4.011 2.716 4.624 0.124 10 0 "[ . 1]" 1
1052 1 89 GLN HA 1 92 ALA MB 0.000 . 5.000 2.454 2.203 2.658 . 0 0 "[ . 1]" 1
1053 1 89 GLN HA 1 92 ALA H 0.000 . 5.000 3.531 3.358 3.661 . 0 0 "[ . 1]" 1
1054 1 89 GLN QG 1 92 ALA MB 0.000 . 5.000 4.544 4.028 4.963 . 0 0 "[ . 1]" 1
1055 1 89 GLN HA 1 93 ARG H 0.000 . 5.000 3.775 3.419 4.116 . 0 0 "[ . 1]" 1
1056 1 90 GLY QA 1 91 ILE H 0.000 . 5.000 2.688 2.670 2.727 . 0 0 "[ . 1]" 1
1057 1 90 GLY H 1 91 ILE H 0.000 . 4.800 2.670 2.611 2.731 . 0 0 "[ . 1]" 1
1058 1 90 GLY H 1 92 ALA H 0.000 . 5.000 3.750 3.682 3.823 . 0 0 "[ . 1]" 1
1059 1 90 GLY QA 1 93 ARG QB 0.000 . 5.000 4.031 3.503 4.891 . 0 0 "[ . 1]" 1
1060 1 90 GLY QA 1 93 ARG QD 0.000 . 5.000 4.154 2.916 5.164 0.164 4 0 "[ . 1]" 1
1061 1 90 GLY QA 1 93 ARG QG 0.000 . 5.000 3.656 2.504 4.815 . 0 0 "[ . 1]" 1
1062 1 90 GLY QA 1 93 ARG H 0.000 . 5.000 3.924 3.674 4.124 . 0 0 "[ . 1]" 1
1063 1 91 ILE MD 1 92 ALA HA 0.000 . 5.000 2.738 2.373 2.936 . 0 0 "[ . 1]" 1
1064 1 91 ILE MD 1 92 ALA MB 0.000 . 5.000 3.377 2.316 3.891 . 0 0 "[ . 1]" 1
1065 1 91 ILE MG 1 92 ALA MB 0.000 . 5.000 3.651 3.191 4.997 . 0 0 "[ . 1]" 1
1066 1 91 ILE H 1 92 ALA H 0.000 . 5.000 2.406 2.334 2.450 . 0 0 "[ . 1]" 1
1067 1 91 ILE HA 1 92 ALA H 0.000 . 4.500 3.423 3.392 3.470 . 0 0 "[ . 1]" 1
1068 1 91 ILE MD 1 92 ALA H 0.000 . 3.500 3.185 2.487 3.526 0.026 10 0 "[ . 1]" 1
1069 1 91 ILE QG 1 92 ALA H 0.000 . 4.500 4.091 2.692 4.522 0.022 10 0 "[ . 1]" 1
1070 1 91 ILE H 1 93 ARG H 0.000 . 5.000 4.530 4.292 4.763 . 0 0 "[ . 1]" 1
1071 1 91 ILE HA 1 93 ARG H 0.000 . 5.000 4.769 4.385 4.943 . 0 0 "[ . 1]" 1
1072 1 91 ILE HA 1 94 ASN HB3 0.000 . 5.000 3.218 2.308 4.012 . 0 0 "[ . 1]" 1
1073 1 91 ILE HA 1 94 ASN H 0.000 . 5.000 3.709 3.469 3.973 . 0 0 "[ . 1]" 1
1074 1 91 ILE MD 1 95 HIS H 0.000 . 5.000 4.446 3.574 5.178 0.178 2 0 "[ . 1]" 1
1075 1 91 ILE MD 1 96 TYR H 0.000 . 5.000 4.472 3.555 5.083 0.083 3 0 "[ . 1]" 1
1076 1 91 ILE MD 1 96 TYR QE 0.000 . 5.000 3.309 2.164 4.350 . 0 0 "[ . 1]" 1
1077 1 91 ILE HB 1 98 CYS QB 0.000 . 5.000 5.191 4.985 5.380 0.380 6 0 "[ . 1]" 1
1078 1 91 ILE MD 1 98 CYS QB 0.000 . 5.000 2.203 1.927 2.696 . 0 0 "[ . 1]" 1
1079 1 91 ILE MG 1 103 HIS HD2 0.000 . 5.000 3.952 3.538 5.028 0.028 3 0 "[ . 1]" 1
1080 1 91 ILE MD 1 106 LEU QD 0.000 . 5.000 2.566 1.970 3.396 . 0 0 "[ . 1]" 1
1081 1 91 ILE MG 1 106 LEU QD 0.000 . 5.000 3.003 2.447 4.345 . 0 0 "[ . 1]" 1
1082 1 92 ALA MB 1 93 ARG HA 0.000 . 5.000 3.796 3.678 3.878 . 0 0 "[ . 1]" 1
1083 1 92 ALA MB 1 93 ARG QB 0.000 . 5.000 3.920 3.359 4.335 . 0 0 "[ . 1]" 1
1084 1 92 ALA MB 1 93 ARG H 0.000 . 4.500 2.340 2.046 2.541 . 0 0 "[ . 1]" 1
1085 1 92 ALA H 1 93 ARG QB 0.000 . 5.000 4.772 4.580 5.012 0.012 5 0 "[ . 1]" 1
1086 1 92 ALA H 1 93 ARG H 0.000 . 4.800 2.698 2.588 2.823 . 0 0 "[ . 1]" 1
1087 1 92 ALA HA 1 96 TYR H 0.000 . 5.000 3.603 2.955 4.896 . 0 0 "[ . 1]" 1
1088 1 92 ALA HA 1 97 ASP HA 0.000 . 5.000 3.221 2.570 3.816 . 0 0 "[ . 1]" 1
1089 1 92 ALA MB 1 97 ASP HA 0.000 . 5.000 2.267 1.963 2.716 . 0 0 "[ . 1]" 1
1090 1 92 ALA MB 1 98 CYS QB 0.000 . 5.000 2.582 2.096 3.343 . 0 0 "[ . 1]" 1
1091 1 93 ARG H 1 93 ARG QD 0.000 . 4.500 3.982 3.685 4.290 . 0 0 "[ . 1]" 1
1092 1 93 ARG H 1 93 ARG HG3 0.000 . 3.500 2.660 2.144 3.462 . 0 0 "[ . 1]" 1
1093 1 93 ARG H 1 93 ARG HG2 0.000 . 3.500 2.855 1.932 3.474 . 0 0 "[ . 1]" 1
1094 1 93 ARG QB 1 94 ASN H 0.000 . 5.000 3.136 2.402 3.753 . 0 0 "[ . 1]" 1
1095 1 93 ARG H 1 94 ASN H 0.000 . 5.000 2.570 2.504 2.706 . 0 0 "[ . 1]" 1
1096 1 93 ARG H 1 94 ASN HB3 0.000 . 4.500 4.594 4.501 4.664 0.164 2 0 "[ . 1]" 1
1097 1 93 ARG QG 1 94 ASN H 0.000 . 4.500 3.342 1.789 4.230 . 0 0 "[ . 1]" 1
1098 1 93 ARG H 1 95 HIS H 0.000 . 5.000 4.257 3.972 4.696 . 0 0 "[ . 1]" 1
1099 1 93 ARG HA 1 97 ASP H 0.000 . 5.000 4.945 3.881 5.340 0.340 3 0 "[ . 1]" 1
1100 1 94 ASN HB3 1 95 HIS H 0.000 . 5.000 3.724 2.054 4.355 . 0 0 "[ . 1]" 1
1101 1 94 ASN QD 1 95 HIS H 0.000 . 4.200 2.892 1.661 4.276 0.076 1 0 "[ . 1]" 1
1102 1 94 ASN H 1 95 HIS H 0.000 . 4.800 2.653 2.376 2.885 . 0 0 "[ . 1]" 1
1103 1 94 ASN QD 1 95 HIS HD2 0.000 . 4.800 2.930 1.811 4.700 . 0 0 "[ . 1]" 1
1104 1 94 ASN HA 1 95 HIS H 0.000 . 4.500 3.379 3.218 3.567 . 0 0 "[ . 1]" 1
1105 1 95 HIS HA 1 96 TYR H 0.000 . 5.000 3.505 2.703 3.632 . 0 0 "[ . 1]" 1
1106 1 95 HIS H 1 96 TYR H 0.000 . 5.000 2.281 1.915 3.633 . 0 0 "[ . 1]" 1
1107 1 95 HIS HB3 1 96 TYR H 0.000 . 5.000 3.652 2.393 4.368 . 0 0 "[ . 1]" 1
1108 1 95 HIS HB2 1 96 TYR H 0.000 . 5.000 3.169 2.539 4.421 . 0 0 "[ . 1]" 1
1109 1 96 TYR HA 1 97 ASP H 0.000 . 5.000 2.986 2.190 3.571 . 0 0 "[ . 1]" 1
1110 1 96 TYR H 1 97 ASP QB 0.000 . 5.000 4.907 4.329 5.344 0.344 6 0 "[ . 1]" 1
1111 1 96 TYR QB 1 97 ASP H 0.000 . 4.600 2.983 1.729 3.811 . 0 0 "[ . 1]" 1
1112 1 96 TYR QD 1 97 ASP H 0.000 . 5.000 3.029 1.747 4.767 . 0 0 "[ . 1]" 1
1113 1 98 CYS HA 1 99 GLY H 0.000 . 5.000 2.178 2.106 2.291 . 0 0 "[ . 1]" 1
1114 1 98 CYS HA 1 102 MET QB 0.000 . 5.000 3.111 2.614 3.548 . 0 0 "[ . 1]" 1
1115 1 98 CYS HA 1 102 MET QG 0.000 . 5.000 3.506 2.556 4.146 . 0 0 "[ . 1]" 1
1116 1 98 CYS QB 1 102 MET QG 0.000 . 5.000 3.607 2.919 4.263 . 0 0 "[ . 1]" 1
1117 1 99 GLY QA 1 100 TYR H 0.000 . 3.900 2.289 2.256 2.305 . 0 0 "[ . 1]" 1
1118 1 99 GLY QA 1 102 MET QB 0.000 . 5.000 3.396 3.111 3.819 . 0 0 "[ . 1]" 1
1119 1 100 TYR H 1 100 TYR QD 0.000 . 3.300 1.698 1.638 1.729 . 0 0 "[ . 1]" 1
1120 1 100 TYR HB3 1 101 GLU H 0.000 . 5.000 3.638 3.550 3.891 . 0 0 "[ . 1]" 1
1121 1 100 TYR HB2 1 101 GLU QG 0.000 . 5.000 4.009 3.248 4.535 . 0 0 "[ . 1]" 1
1122 1 100 TYR H 1 101 GLU H 0.000 . 4.300 2.676 2.619 2.712 . 0 0 "[ . 1]" 1
1123 1 100 TYR HA 1 101 GLU H 0.000 . 3.500 3.535 3.497 3.550 0.050 2 0 "[ . 1]" 1
1124 1 100 TYR HB2 1 101 GLU H 0.000 . 3.500 2.595 2.481 2.887 . 0 0 "[ . 1]" 1
1125 1 100 TYR H 1 102 MET H 0.000 . 5.000 4.043 3.880 4.231 . 0 0 "[ . 1]" 1
1126 1 100 TYR HA 1 102 MET H 0.000 . 5.000 4.268 4.125 4.463 . 0 0 "[ . 1]" 1
1127 1 100 TYR HA 1 103 HIS HB2 0.000 . 5.000 3.001 2.674 3.403 . 0 0 "[ . 1]" 1
1128 1 100 TYR QE 1 138 ASN QD 0.000 . 5.000 3.240 1.934 4.606 . 0 0 "[ . 1]" 1
1129 1 100 TYR HA 1 139 ALA MB 0.000 . 5.000 4.025 3.858 4.386 . 0 0 "[ . 1]" 1
1130 1 100 TYR HB3 1 139 ALA MB 0.000 . 5.000 2.396 2.213 2.811 . 0 0 "[ . 1]" 1
1131 1 100 TYR HB2 1 139 ALA MB 0.000 . 5.000 3.527 3.098 4.004 . 0 0 "[ . 1]" 1
1132 1 100 TYR QD 1 139 ALA HA 0.000 . 5.000 2.382 2.272 2.809 . 0 0 "[ . 1]" 1
1133 1 100 TYR QD 1 139 ALA MB 0.000 . 5.000 3.169 3.009 3.286 . 0 0 "[ . 1]" 1
1134 1 100 TYR QE 1 139 ALA HA 0.000 . 5.000 4.095 3.888 4.320 . 0 0 "[ . 1]" 1
1135 1 100 TYR QE 1 139 ALA MB 0.000 . 5.000 4.994 4.807 5.088 0.088 10 0 "[ . 1]" 1
1136 1 100 TYR QE 1 142 HIS HB3 0.000 . 5.000 4.420 4.037 4.837 . 0 0 "[ . 1]" 1
1137 1 100 TYR QE 1 142 HIS HB2 0.000 . 5.000 4.346 3.875 5.034 0.034 10 0 "[ . 1]" 1
1138 1 101 GLU H 1 101 GLU QG 0.000 . 4.100 2.298 1.827 3.312 . 0 0 "[ . 1]" 1
1139 1 101 GLU HA 1 102 MET H 0.000 . 5.000 3.497 3.468 3.524 . 0 0 "[ . 1]" 1
1140 1 101 GLU H 1 102 MET H 0.000 . 3.600 2.616 2.496 2.793 . 0 0 "[ . 1]" 1
1141 1 101 GLU HA 1 104 THR MG 0.000 . 5.000 2.674 2.299 3.367 . 0 0 "[ . 1]" 1
1142 1 101 GLU HA 1 104 THR H 0.000 . 5.000 3.671 3.553 3.752 . 0 0 "[ . 1]" 1
1143 1 102 MET HA 1 103 HIS HA 0.000 . 5.000 4.854 4.833 4.869 . 0 0 "[ . 1]" 1
1144 1 102 MET QB 1 103 HIS H 0.000 . 5.000 2.429 2.362 2.518 . 0 0 "[ . 1]" 1
1145 1 102 MET H 1 103 HIS H 0.000 . 4.000 2.482 2.395 2.586 . 0 0 "[ . 1]" 1
1146 1 102 MET HB3 1 103 HIS H 0.000 . 3.500 2.467 2.394 2.566 . 0 0 "[ . 1]" 1
1147 1 102 MET HB2 1 103 HIS H 0.000 . 3.500 3.644 3.593 3.735 0.235 2 0 "[ . 1]" 1
1148 1 102 MET H 1 104 THR H 0.000 . 5.000 4.000 3.888 4.104 . 0 0 "[ . 1]" 1
1149 1 102 MET HA 1 105 CYS QB 0.000 . 5.000 2.727 2.281 3.175 . 0 0 "[ . 1]" 1
1150 1 102 MET HA 1 105 CYS H 0.000 . 5.000 3.364 3.184 3.585 . 0 0 "[ . 1]" 1
1151 1 102 MET QB 1 105 CYS QB 0.000 . 5.000 4.413 4.075 4.648 . 0 0 "[ . 1]" 1
1152 1 102 MET QG 1 105 CYS QB 0.000 . 5.000 3.559 3.303 3.961 . 0 0 "[ . 1]" 1
1153 1 102 MET QG 1 106 LEU QD 0.000 . 5.000 2.978 2.346 3.936 . 0 0 "[ . 1]" 1
1154 1 102 MET QG 1 106 LEU HG 0.000 . 5.000 4.539 4.008 5.140 0.140 8 0 "[ . 1]" 1
1155 1 103 HIS HA 1 104 THR HA 0.000 . 5.000 4.733 4.573 4.827 . 0 0 "[ . 1]" 1
1156 1 103 HIS HB3 1 104 THR H 0.000 . 5.000 2.757 2.589 2.863 . 0 0 "[ . 1]" 1
1157 1 103 HIS H 1 104 THR H 0.000 . 5.000 2.782 2.723 2.825 . 0 0 "[ . 1]" 1
1158 1 103 HIS HA 1 104 THR H 0.000 . 3.500 3.518 3.495 3.530 0.030 4 0 "[ . 1]" 1
1159 1 103 HIS HB2 1 104 THR H 0.000 . 4.500 3.887 3.777 3.966 . 0 0 "[ . 1]" 1
1160 1 103 HIS H 1 105 CYS H 0.000 . 5.000 4.348 4.180 4.542 . 0 0 "[ . 1]" 1
1161 1 103 HIS HA 1 106 LEU QD 0.000 . 5.000 2.080 1.999 2.127 . 0 0 "[ . 1]" 1
1162 1 103 HIS HD2 1 106 LEU QD 0.000 . 5.000 2.029 1.880 2.218 . 0 0 "[ . 1]" 1
1163 1 103 HIS HE2 1 135 ILE MD 0.000 . 5.000 1.977 1.842 2.081 . 0 0 "[ . 1]" 1
1164 1 103 HIS HE2 1 135 ILE QG 0.000 . 5.000 3.237 2.972 3.513 . 0 0 "[ . 1]" 1
1165 1 103 HIS HA 1 135 ILE MD 0.000 . 5.000 4.492 4.428 4.579 . 0 0 "[ . 1]" 1
1166 1 103 HIS HB3 1 135 ILE MG 0.000 . 5.000 2.745 2.594 2.910 . 0 0 "[ . 1]" 1
1167 1 103 HIS HE1 1 135 ILE HA 0.000 . 5.000 4.385 4.015 4.638 . 0 0 "[ . 1]" 1
1168 1 103 HIS HE1 1 135 ILE MD 0.000 . 5.000 2.981 2.826 3.079 . 0 0 "[ . 1]" 1
1169 1 103 HIS HE1 1 135 ILE QG 0.000 . 5.000 2.452 2.307 2.749 . 0 0 "[ . 1]" 1
1170 1 103 HIS HE1 1 135 ILE MG 0.000 . 5.000 3.243 2.997 3.352 . 0 0 "[ . 1]" 1
1171 1 104 THR H 1 104 THR MG 0.000 . 4.400 2.082 1.861 2.261 . 0 0 "[ . 1]" 1
1172 1 104 THR HA 1 105 CYS H 0.000 . 5.000 3.526 3.495 3.570 . 0 0 "[ . 1]" 1
1173 1 104 THR HB 1 105 CYS H 0.000 . 4.800 3.675 3.559 3.845 . 0 0 "[ . 1]" 1
1174 1 104 THR MG 1 105 CYS H 0.000 . 5.000 3.702 3.563 3.845 . 0 0 "[ . 1]" 1
1175 1 104 THR H 1 105 CYS H 0.000 . 4.700 2.554 2.393 2.695 . 0 0 "[ . 1]" 1
1176 1 104 THR MG 1 106 LEU HG 0.000 . 5.000 5.320 5.259 5.371 0.371 6 0 "[ . 1]" 1
1177 1 104 THR HA 1 107 GLY H 0.000 . 5.000 3.241 2.952 3.553 . 0 0 "[ . 1]" 1
1178 1 104 THR HA 1 108 GLU H 0.000 . 5.000 4.466 4.000 4.734 . 0 0 "[ . 1]" 1
1179 1 104 THR MG 1 132 ARG QG 0.000 . 5.000 4.915 4.460 5.106 0.106 10 0 "[ . 1]" 1
1180 1 104 THR HA 1 135 ILE MG 0.000 . 5.000 2.706 2.542 2.924 . 0 0 "[ . 1]" 1
1181 1 104 THR HB 1 135 ILE MG 0.000 . 5.000 4.028 3.740 4.326 . 0 0 "[ . 1]" 1
1182 1 104 THR MG 1 135 ILE MG 0.000 . 5.000 2.364 2.013 2.670 . 0 0 "[ . 1]" 1
1183 1 104 THR HA 1 136 LEU QD 0.000 . 5.000 4.370 3.023 5.160 0.160 2 0 "[ . 1]" 1
1184 1 104 THR HB 1 136 LEU QD 0.000 . 5.000 3.267 2.580 4.257 . 0 0 "[ . 1]" 1
1185 1 104 THR MG 1 136 LEU HA 0.000 . 5.000 2.567 2.293 3.056 . 0 0 "[ . 1]" 1
1186 1 104 THR MG 1 136 LEU QB 0.000 . 5.000 3.975 3.665 4.606 . 0 0 "[ . 1]" 1
1187 1 104 THR MG 1 136 LEU QD 0.000 . 5.000 2.971 2.474 3.970 . 0 0 "[ . 1]" 1
1188 1 104 THR MG 1 136 LEU HG 0.000 . 5.000 4.471 3.452 5.069 0.069 7 0 "[ . 1]" 1
1189 1 104 THR HA 1 139 ALA MB 0.000 . 5.000 5.082 5.011 5.171 0.171 9 0 "[ . 1]" 1
1190 1 104 THR HB 1 139 ALA MB 0.000 . 5.000 4.664 4.472 4.962 . 0 0 "[ . 1]" 1
1191 1 104 THR MG 1 139 ALA MB 0.000 . 5.000 2.500 2.289 2.735 . 0 0 "[ . 1]" 1
1192 1 104 THR MG 1 139 ALA H 0.000 . 5.000 4.300 3.960 4.767 . 0 0 "[ . 1]" 1
1193 1 105 CYS QB 1 106 LEU H 0.000 . 5.000 2.548 2.374 2.768 . 0 0 "[ . 1]" 1
1194 1 105 CYS H 1 106 LEU H 0.000 . 4.500 2.817 2.772 2.850 . 0 0 "[ . 1]" 1
1195 1 105 CYS H 1 106 LEU HG 0.000 . 4.500 3.980 3.753 4.197 . 0 0 "[ . 1]" 1
1196 1 105 CYS HA 1 106 LEU H 0.000 . 3.500 3.536 3.518 3.550 0.050 2 0 "[ . 1]" 1
1197 1 105 CYS H 1 107 GLY H 0.000 . 5.000 4.160 3.869 4.285 . 0 0 "[ . 1]" 1
1198 1 105 CYS HA 1 107 GLY H 0.000 . 5.000 4.491 4.077 4.719 . 0 0 "[ . 1]" 1
1199 1 106 LEU H 1 106 LEU HG 0.000 . 4.300 1.978 1.735 2.226 . 0 0 "[ . 1]" 1
1200 1 106 LEU QD 1 107 GLY H 0.000 . 5.000 2.817 1.859 3.823 . 0 0 "[ . 1]" 1
1201 1 106 LEU HB2 1 107 GLY H 0.000 . 3.500 3.250 2.679 3.616 0.116 5 0 "[ . 1]" 1
1202 1 106 LEU H 1 107 GLY H 0.000 . 3.500 2.631 2.516 2.710 . 0 0 "[ . 1]" 1
1203 1 106 LEU H 1 108 GLU H 0.000 . 5.000 4.606 4.184 4.861 . 0 0 "[ . 1]" 1
1204 1 106 LEU HA 1 109 MET H 0.000 . 5.000 3.447 2.879 3.971 . 0 0 "[ . 1]" 1
1205 1 107 GLY H 1 108 GLU H 0.000 . 4.500 3.051 2.921 3.154 . 0 0 "[ . 1]" 1
1206 1 107 GLY QA 1 108 GLU H 0.000 . 3.500 2.622 2.547 2.824 . 0 0 "[ . 1]" 1
1207 1 107 GLY QA 1 132 ARG HA 0.000 . 5.000 3.015 2.608 3.485 . 0 0 "[ . 1]" 1
1208 1 107 GLY QA 1 132 ARG QB 0.000 . 5.000 2.992 2.332 3.522 . 0 0 "[ . 1]" 1
1209 1 107 GLY QA 1 135 ILE MD 0.000 . 5.000 3.077 2.746 3.282 . 0 0 "[ . 1]" 1
1210 1 107 GLY QA 1 135 ILE MG 0.000 . 5.000 4.047 3.650 4.271 . 0 0 "[ . 1]" 1
1211 1 107 GLY H 1 135 ILE MD 0.000 . 5.000 4.001 3.841 4.202 . 0 0 "[ . 1]" 1
1212 1 108 GLU HA 1 109 MET H 0.000 . 5.000 3.469 3.429 3.587 . 0 0 "[ . 1]" 1
1213 1 108 GLU QG 1 109 MET H 0.000 . 5.000 3.869 2.632 4.664 . 0 0 "[ . 1]" 1
1214 1 108 GLU H 1 109 MET QB 0.000 . 5.000 4.469 4.173 4.763 . 0 0 "[ . 1]" 1
1215 1 108 GLU QG 1 111 VAL QG 0.000 . 5.000 3.587 2.415 4.932 . 0 0 "[ . 1]" 1
1216 1 108 GLU QG 1 132 ARG QD 0.000 . 5.000 4.176 2.880 5.031 0.031 10 0 "[ . 1]" 1
1217 1 108 GLU QG 1 136 LEU QD 0.000 . 5.000 4.823 3.954 5.105 0.105 5 0 "[ . 1]" 1
1218 1 109 MET HA 1 112 SER H 0.000 . 5.000 3.783 3.260 4.294 . 0 0 "[ . 1]" 1
1219 1 110 TYR H 1 110 TYR QD 0.000 . 4.500 2.546 2.252 2.896 . 0 0 "[ . 1]" 1
1220 1 110 TYR QB 1 111 VAL QG 0.000 . 5.000 3.186 2.738 4.130 . 0 0 "[ . 1]" 1
1221 1 110 TYR QB 1 111 VAL H 0.000 . 4.800 2.772 2.539 3.958 . 0 0 "[ . 1]" 1
1222 1 110 TYR H 1 111 VAL H 0.000 . 5.000 2.408 2.274 2.587 . 0 0 "[ . 1]" 1
1223 1 110 TYR QE 1 116 PHE QE 0.000 . 5.000 4.010 3.192 5.110 0.110 3 0 "[ . 1]" 1
1224 1 110 TYR HA 1 116 PHE QB 0.000 . 5.000 3.069 2.638 3.384 . 0 0 "[ . 1]" 1
1225 1 110 TYR QD 1 120 ILE MD 0.000 . 5.000 2.042 1.910 2.779 . 0 0 "[ . 1]" 1
1226 1 110 TYR QE 1 120 ILE MD 0.000 . 5.000 2.596 2.228 3.564 . 0 0 "[ . 1]" 1
1227 1 110 TYR QE 1 120 ILE MG 0.000 . 5.000 4.523 3.592 5.040 0.040 4 0 "[ . 1]" 1
1228 1 110 TYR HA 1 120 ILE MD 0.000 . 5.000 4.207 3.280 4.589 . 0 0 "[ . 1]" 1
1229 1 110 TYR QB 1 120 ILE MD 0.000 . 5.000 2.882 2.091 3.237 . 0 0 "[ . 1]" 1
1230 1 110 TYR HA 1 128 ALA MB 0.000 . 5.000 5.177 5.014 5.279 0.279 4 0 "[ . 1]" 1
1231 1 110 TYR QB 1 128 ALA MB 0.000 . 5.000 3.190 2.791 4.007 . 0 0 "[ . 1]" 1
1232 1 110 TYR QD 1 131 MET ME 0.000 . 5.000 3.893 2.851 4.316 . 0 0 "[ . 1]" 1
1233 1 110 TYR QE 1 131 MET ME 0.000 . 5.000 4.041 2.687 5.073 0.073 2 0 "[ . 1]" 1
1234 1 111 VAL QG 1 112 SER HA 0.000 . 5.000 3.337 3.082 3.697 . 0 0 "[ . 1]" 1
1235 1 111 VAL QG 1 112 SER QB 0.000 . 5.000 3.603 3.137 4.677 . 0 0 "[ . 1]" 1
1236 1 111 VAL H 1 112 SER H 0.000 . 4.000 2.478 2.093 2.673 . 0 0 "[ . 1]" 1
1237 1 111 VAL QG 1 112 SER H 0.000 . 4.800 2.658 2.073 3.545 . 0 0 "[ . 1]" 1
1238 1 111 VAL HA 1 117 THR MG 0.000 . 5.000 3.654 2.531 4.099 . 0 0 "[ . 1]" 1
1239 1 111 VAL HB 1 117 THR MG 0.000 . 5.000 5.110 5.076 5.141 0.141 3 0 "[ . 1]" 1
1240 1 111 VAL QG 1 117 THR MG 0.000 . 5.000 3.954 2.785 4.510 . 0 0 "[ . 1]" 1
1241 1 111 VAL HA 1 128 ALA MB 0.000 . 5.000 3.066 2.405 3.725 . 0 0 "[ . 1]" 1
1242 1 111 VAL QG 1 128 ALA MB 0.000 . 5.000 2.283 1.893 2.748 . 0 0 "[ . 1]" 1
1243 1 111 VAL HB 1 129 ALA MB 0.000 . 5.000 4.506 3.689 5.141 0.141 8 0 "[ . 1]" 1
1244 1 111 VAL QG 1 129 ALA HA 0.000 . 5.000 2.726 2.274 3.278 . 0 0 "[ . 1]" 1
1245 1 111 VAL QG 1 129 ALA MB 0.000 . 5.000 3.107 2.586 3.446 . 0 0 "[ . 1]" 1
1246 1 111 VAL QG 1 129 ALA H 0.000 . 5.000 3.502 3.019 3.960 . 0 0 "[ . 1]" 1
1247 1 111 VAL QG 1 132 ARG QB 0.000 . 5.000 3.012 2.346 3.551 . 0 0 "[ . 1]" 1
1248 1 111 VAL QG 1 132 ARG QD 0.000 . 5.000 4.359 3.816 5.067 0.067 8 0 "[ . 1]" 1
1249 1 111 VAL QG 1 132 ARG QG 0.000 . 5.000 3.533 2.945 4.357 . 0 0 "[ . 1]" 1
1250 1 111 VAL QG 1 132 ARG H 0.000 . 5.000 4.321 3.608 5.012 0.012 1 0 "[ . 1]" 1
1251 1 113 ASP HA 1 114 GLU H 0.000 . 3.000 2.133 2.087 2.211 . 0 0 "[ . 1]" 1
1252 1 113 ASP QB 1 115 ARG QD 0.000 . 5.000 4.396 2.175 5.033 0.033 6 0 "[ . 1]" 1
1253 1 114 GLU HA 1 115 ARG HA 0.000 . 5.000 4.697 4.644 4.749 . 0 0 "[ . 1]" 1
1254 1 114 GLU QG 1 115 ARG QB 0.000 . 5.000 4.298 2.940 5.114 0.114 5 0 "[ . 1]" 1
1255 1 114 GLU H 1 115 ARG H 0.000 . 4.500 2.727 2.615 2.886 . 0 0 "[ . 1]" 1
1256 1 114 GLU HA 1 117 THR HB 0.000 . 5.000 2.606 2.301 3.021 . 0 0 "[ . 1]" 1
1257 1 114 GLU HA 1 117 THR MG 0.000 . 5.000 3.857 3.641 4.242 . 0 0 "[ . 1]" 1
1258 1 114 GLU QB 1 117 THR HB 0.000 . 5.000 4.041 3.181 4.987 . 0 0 "[ . 1]" 1
1259 1 114 GLU HA 1 117 THR H 0.000 . 5.000 3.255 2.883 3.960 . 0 0 "[ . 1]" 1
1260 1 114 GLU QG 1 118 ARG QB 0.000 . 5.000 4.082 2.698 5.059 0.059 10 0 "[ . 1]" 1
1261 1 115 ARG H 1 116 PHE H 0.000 . 5.000 2.635 2.444 2.829 . 0 0 "[ . 1]" 1
1262 1 115 ARG QB 1 116 PHE H 0.000 . 4.500 2.923 2.365 3.568 . 0 0 "[ . 1]" 1
1263 1 115 ARG HA 1 118 ARG QB 0.000 . 5.000 3.118 2.677 3.819 . 0 0 "[ . 1]" 1
1264 1 116 PHE QB 1 117 THR H 0.000 . 5.000 2.350 2.248 2.496 . 0 0 "[ . 1]" 1
1265 1 116 PHE H 1 117 THR H 0.000 . 5.000 2.660 2.528 2.794 . 0 0 "[ . 1]" 1
1266 1 116 PHE HA 1 119 ASN QB 0.000 . 5.000 2.867 2.578 3.110 . 0 0 "[ . 1]" 1
1267 1 116 PHE HA 1 119 ASN H 0.000 . 5.000 3.759 3.657 3.877 . 0 0 "[ . 1]" 1
1268 1 116 PHE HA 1 120 ILE HB 0.000 . 5.000 4.927 4.584 5.051 0.051 9 0 "[ . 1]" 1
1269 1 116 PHE QB 1 120 ILE MD 0.000 . 5.000 2.595 2.236 3.188 . 0 0 "[ . 1]" 1
1270 1 116 PHE QE 1 120 ILE MD 0.000 . 5.000 4.545 3.680 4.957 . 0 0 "[ . 1]" 1
1271 1 117 THR HB 1 118 ARG QB 0.000 . 5.000 3.898 3.707 4.418 . 0 0 "[ . 1]" 1
1272 1 117 THR MG 1 118 ARG HA 0.000 . 5.000 3.731 3.590 3.859 . 0 0 "[ . 1]" 1
1273 1 117 THR MG 1 118 ARG QB 0.000 . 5.000 4.488 4.256 4.922 . 0 0 "[ . 1]" 1
1274 1 117 THR MG 1 118 ARG H 0.000 . 5.000 3.429 3.351 3.512 . 0 0 "[ . 1]" 1
1275 1 117 THR HB 1 118 ARG H 0.000 . 3.000 2.172 2.127 2.213 . 0 0 "[ . 1]" 1
1276 1 117 THR H 1 118 ARG H 0.000 . 3.500 2.947 2.858 3.030 . 0 0 "[ . 1]" 1
1277 1 117 THR MG 1 119 ASN H 0.000 . 5.000 5.021 5.005 5.062 0.062 2 0 "[ . 1]" 1
1278 1 117 THR HA 1 120 ILE HB 0.000 . 5.000 2.442 2.382 2.502 . 0 0 "[ . 1]" 1
1279 1 117 THR HA 1 120 ILE MD 0.000 . 5.000 3.374 3.274 3.520 . 0 0 "[ . 1]" 1
1280 1 117 THR HA 1 120 ILE MG 0.000 . 5.000 3.685 3.489 3.760 . 0 0 "[ . 1]" 1
1281 1 117 THR HA 1 120 ILE H 0.000 . 5.000 3.362 3.302 3.414 . 0 0 "[ . 1]" 1
1282 1 117 THR HB 1 120 ILE H 0.000 . 5.000 5.171 5.145 5.203 0.203 7 0 "[ . 1]" 1
1283 1 117 THR MG 1 121 ASP QB 0.000 . 5.000 2.618 2.014 3.153 . 0 0 "[ . 1]" 1
1284 1 117 THR MG 1 121 ASP HA 0.000 . 5.000 4.658 4.294 5.006 0.006 3 0 "[ . 1]" 1
1285 1 117 THR MG 1 121 ASP H 0.000 . 5.000 3.477 3.209 3.782 . 0 0 "[ . 1]" 1
1286 1 117 THR HA 1 121 ASP H 0.000 . 5.000 3.235 2.648 3.710 . 0 0 "[ . 1]" 1
1287 1 117 THR HA 1 128 ALA MB 0.000 . 5.000 3.277 2.565 3.480 . 0 0 "[ . 1]" 1
1288 1 117 THR HB 1 128 ALA MB 0.000 . 5.000 4.893 4.264 5.084 0.084 1 0 "[ . 1]" 1
1289 1 117 THR MG 1 128 ALA MB 0.000 . 5.000 2.565 2.138 2.821 . 0 0 "[ . 1]" 1
1290 1 117 THR MG 1 128 ALA H 0.000 . 5.000 3.957 3.349 4.364 . 0 0 "[ . 1]" 1
1291 1 118 ARG HA 1 119 ASN HA 0.000 . 5.000 4.698 4.684 4.725 . 0 0 "[ . 1]" 1
1292 1 118 ARG QB 1 119 ASN H 0.000 . 5.000 2.699 2.534 3.403 . 0 0 "[ . 1]" 1
1293 1 118 ARG H 1 119 ASN H 0.000 . 5.000 2.755 2.651 2.860 . 0 0 "[ . 1]" 1
1294 1 118 ARG HA 1 121 ASP QB 0.000 . 5.000 3.543 2.864 4.291 . 0 0 "[ . 1]" 1
1295 1 118 ARG HA 1 121 ASP H 0.000 . 5.000 3.743 3.520 4.123 . 0 0 "[ . 1]" 1
1296 1 119 ASN QB 1 120 ILE QG 0.000 . 5.000 3.180 3.069 3.371 . 0 0 "[ . 1]" 1
1297 1 119 ASN H 1 120 ILE H 0.000 . 4.800 2.415 2.400 2.439 . 0 0 "[ . 1]" 1
1298 1 119 ASN HA 1 122 ALA MB 0.000 . 5.000 2.921 2.679 3.086 . 0 0 "[ . 1]" 1
1299 1 119 ASN HA 1 122 ALA H 0.000 . 5.000 3.797 3.724 3.886 . 0 0 "[ . 1]" 1
1300 1 120 ILE H 1 120 ILE QG 0.000 . 4.500 2.505 2.434 2.628 . 0 0 "[ . 1]" 1
1301 1 120 ILE H 1 121 ASP QB 0.000 . 5.000 4.616 4.279 4.886 . 0 0 "[ . 1]" 1
1302 1 120 ILE H 1 121 ASP H 0.000 . 4.700 2.566 2.520 2.623 . 0 0 "[ . 1]" 1
1303 1 120 ILE MG 1 121 ASP HA 0.000 . 5.000 3.256 3.091 3.382 . 0 0 "[ . 1]" 1
1304 1 120 ILE HA 1 121 ASP H 0.000 . 5.000 3.566 3.547 3.582 . 0 0 "[ . 1]" 1
1305 1 120 ILE MG 1 121 ASP H 0.000 . 5.000 3.142 2.875 3.300 . 0 0 "[ . 1]" 1
1306 1 120 ILE QG 1 121 ASP H 0.000 . 5.000 4.148 4.071 4.266 . 0 0 "[ . 1]" 1
1307 1 120 ILE MD 1 121 ASP H 0.000 . 5.000 4.602 4.383 4.786 . 0 0 "[ . 1]" 1
1308 1 120 ILE HB 1 121 ASP H 0.000 . 5.000 2.587 2.374 2.786 . 0 0 "[ . 1]" 1
1309 1 120 ILE HA 1 122 ALA H 0.000 . 5.000 3.807 3.723 3.965 . 0 0 "[ . 1]" 1
1310 1 120 ILE HA 1 123 ALA MB 0.000 . 5.000 4.981 4.886 5.027 0.027 9 0 "[ . 1]" 1
1311 1 120 ILE HA 1 123 ALA H 0.000 . 5.000 4.742 4.651 4.873 . 0 0 "[ . 1]" 1
1312 1 120 ILE MG 1 123 ALA H 0.000 . 5.000 4.619 4.524 4.706 . 0 0 "[ . 1]" 1
1313 1 120 ILE HB 1 127 LEU QD 0.000 . 5.000 3.261 2.973 3.931 . 0 0 "[ . 1]" 1
1314 1 120 ILE MD 1 127 LEU HG 0.000 . 5.000 4.801 4.651 5.026 0.026 8 0 "[ . 1]" 1
1315 1 120 ILE MG 1 127 LEU HB3 0.000 . 5.000 4.322 3.533 4.702 . 0 0 "[ . 1]" 1
1316 1 120 ILE MG 1 127 LEU HB2 0.000 . 5.000 4.352 4.183 4.581 . 0 0 "[ . 1]" 1
1317 1 120 ILE MG 1 127 LEU QD 0.000 . 5.000 1.770 1.686 1.972 . 0 0 "[ . 1]" 1
1318 1 120 ILE MG 1 127 LEU HG 0.000 . 5.000 2.513 2.277 2.734 . 0 0 "[ . 1]" 1
1319 1 120 ILE MG 1 127 LEU H 0.000 . 5.000 5.098 5.015 5.151 0.151 3 0 "[ . 1]" 1
1320 1 120 ILE HB 1 128 ALA MB 0.000 . 5.000 3.764 3.334 3.980 . 0 0 "[ . 1]" 1
1321 1 120 ILE MD 1 128 ALA HA 0.000 . 5.000 4.444 4.181 4.594 . 0 0 "[ . 1]" 1
1322 1 120 ILE MD 1 128 ALA MB 0.000 . 5.000 3.447 3.192 3.554 . 0 0 "[ . 1]" 1
1323 1 120 ILE QG 1 128 ALA MB 0.000 . 5.000 4.958 4.686 5.092 0.092 2 0 "[ . 1]" 1
1324 1 120 ILE MG 1 128 ALA HA 0.000 . 5.000 3.578 3.143 3.776 . 0 0 "[ . 1]" 1
1325 1 120 ILE MG 1 128 ALA MB 0.000 . 5.000 3.037 2.598 3.342 . 0 0 "[ . 1]" 1
1326 1 120 ILE MG 1 128 ALA H 0.000 . 5.000 3.706 3.453 3.840 . 0 0 "[ . 1]" 1
1327 1 120 ILE MD 1 131 MET ME 0.000 . 5.000 3.706 3.097 4.092 . 0 0 "[ . 1]" 1
1328 1 120 ILE MG 1 131 MET ME 0.000 . 5.000 3.662 2.402 4.193 . 0 0 "[ . 1]" 1
1329 1 121 ASP HA 1 122 ALA H 0.000 . 5.000 3.341 3.315 3.375 . 0 0 "[ . 1]" 1
1330 1 121 ASP QB 1 122 ALA H 0.000 . 5.000 3.599 3.222 3.852 . 0 0 "[ . 1]" 1
1331 1 121 ASP H 1 122 ALA MB 0.000 . 5.500 4.385 4.333 4.414 . 0 0 "[ . 1]" 1
1332 1 121 ASP H 1 122 ALA H 0.000 . 4.000 2.669 2.629 2.709 . 0 0 "[ . 1]" 1
1333 1 121 ASP HA 1 123 ALA MB 0.000 . 5.000 3.734 3.651 3.910 . 0 0 "[ . 1]" 1
1334 1 121 ASP HA 1 123 ALA H 0.000 . 5.000 3.046 2.986 3.111 . 0 0 "[ . 1]" 1
1335 1 121 ASP H 1 123 ALA H 0.000 . 5.000 4.509 4.485 4.553 . 0 0 "[ . 1]" 1
1336 1 121 ASP HA 1 124 LYS H 0.000 . 5.000 2.544 2.444 2.875 . 0 0 "[ . 1]" 1
1337 1 121 ASP QB 1 125 PRO HA 0.000 . 5.000 2.504 2.042 3.948 . 0 0 "[ . 1]" 1
1338 1 121 ASP HA 1 125 PRO HA 0.000 . 5.000 4.376 4.184 5.006 0.006 10 0 "[ . 1]" 1
1339 1 121 ASP HA 1 127 LEU H 0.000 . 5.000 4.294 3.940 4.414 . 0 0 "[ . 1]" 1
1340 1 121 ASP HA 1 127 LEU HB3 0.000 . 5.000 3.622 2.291 4.172 . 0 0 "[ . 1]" 1
1341 1 121 ASP HA 1 127 LEU HB2 0.000 . 5.000 4.780 3.529 5.053 0.053 4 0 "[ . 1]" 1
1342 1 121 ASP HA 1 127 LEU QD 0.000 . 5.000 1.869 1.758 2.169 . 0 0 "[ . 1]" 1
1343 1 121 ASP HA 1 128 ALA H 0.000 . 5.000 4.665 3.887 4.880 . 0 0 "[ . 1]" 1
1344 1 121 ASP H 1 128 ALA MB 0.000 . 5.000 4.622 3.746 4.925 . 0 0 "[ . 1]" 1
1345 1 122 ALA HA 1 123 ALA H 0.000 . 5.000 3.460 3.446 3.471 . 0 0 "[ . 1]" 1
1346 1 122 ALA MB 1 123 ALA H 0.000 . 5.000 2.822 2.778 2.878 . 0 0 "[ . 1]" 1
1347 1 122 ALA H 1 123 ALA H 0.000 . 4.000 2.812 2.790 2.848 . 0 0 "[ . 1]" 1
1348 1 122 ALA HA 1 124 LYS H 0.000 . 5.000 4.507 4.387 4.558 . 0 0 "[ . 1]" 1
1349 1 122 ALA H 1 124 LYS H 0.000 . 5.000 4.278 4.215 4.371 . 0 0 "[ . 1]" 1
1350 1 123 ALA HA 1 124 LYS QG 0.000 . 5.000 5.029 4.714 5.131 0.131 10 0 "[ . 1]" 1
1351 1 123 ALA HA 1 124 LYS H 0.000 . 3.900 3.536 3.512 3.554 . 0 0 "[ . 1]" 1
1352 1 123 ALA MB 1 124 LYS QB 0.000 . 5.000 3.414 3.077 3.608 . 0 0 "[ . 1]" 1
1353 1 123 ALA H 1 124 LYS H 0.000 . 3.000 2.396 2.344 2.446 . 0 0 "[ . 1]" 1
1354 1 123 ALA MB 1 124 LYS H 0.000 . 3.800 2.738 2.679 2.913 . 0 0 "[ . 1]" 1
1355 1 123 ALA MB 1 127 LEU QD 0.000 . 5.000 2.670 2.346 2.864 . 0 0 "[ . 1]" 1
1356 1 123 ALA H 1 127 LEU QD 0.000 . 5.000 3.370 3.119 3.523 . 0 0 "[ . 1]" 1
1357 1 124 LYS HA 1 125 PRO HA 0.000 . 5.000 4.467 4.435 4.575 . 0 0 "[ . 1]" 1
1358 1 124 LYS HA 1 125 PRO QD 0.000 . 3.400 2.082 1.926 2.128 . 0 0 "[ . 1]" 1
1359 1 124 LYS HA 1 125 PRO QG 0.000 . 5.000 3.984 3.666 4.066 . 0 0 "[ . 1]" 1
1360 1 124 LYS QB 1 125 PRO QD 0.000 . 5.000 2.536 2.250 3.767 . 0 0 "[ . 1]" 1
1361 1 124 LYS QD 1 125 PRO QD 0.000 . 4.900 3.472 2.135 4.438 . 0 0 "[ . 1]" 1
1362 1 124 LYS QE 1 125 PRO QD 0.000 . 5.000 2.922 2.289 3.666 . 0 0 "[ . 1]" 1
1363 1 124 LYS QG 1 125 PRO QD 0.000 . 5.000 3.689 2.022 4.070 . 0 0 "[ . 1]" 1
1364 1 124 LYS H 1 125 PRO QD 0.000 . 5.000 4.089 3.455 4.247 . 0 0 "[ . 1]" 1
1365 1 124 LYS QE 1 126 GLY H 0.000 . 5.000 4.985 4.732 5.068 0.068 9 0 "[ . 1]" 1
1366 1 124 LYS QB 1 127 LEU QD 0.000 . 5.000 3.922 2.898 4.254 . 0 0 "[ . 1]" 1
1367 1 124 LYS QB 1 127 LEU H 0.000 . 5.000 4.587 3.595 4.852 . 0 0 "[ . 1]" 1
1368 1 124 LYS QB 1 127 LEU HB3 0.000 . 5.000 3.931 2.480 4.189 . 0 0 "[ . 1]" 1
1369 1 124 LYS QB 1 127 LEU HB2 0.000 . 5.000 4.780 2.982 5.172 0.172 7 0 "[ . 1]" 1
1370 1 124 LYS H 1 127 LEU QD 0.000 . 5.000 3.014 2.469 3.251 . 0 0 "[ . 1]" 1
1371 1 124 LYS H 1 127 LEU H 0.000 . 5.000 5.037 4.878 5.115 0.115 4 0 "[ . 1]" 1
1372 1 125 PRO HA 1 126 GLY QA 0.000 . 5.000 3.959 3.930 3.989 . 0 0 "[ . 1]" 1
1373 1 125 PRO HA 1 126 GLY H 0.000 . 3.500 2.204 2.166 2.252 . 0 0 "[ . 1]" 1
1374 1 125 PRO QB 1 126 GLY H 0.000 . 5.000 3.188 3.089 3.328 . 0 0 "[ . 1]" 1
1375 1 126 GLY QA 1 127 LEU H 0.000 . 4.900 2.920 2.846 2.956 . 0 0 "[ . 1]" 1
1376 1 126 GLY H 1 127 LEU H 0.000 . 3.700 2.669 2.326 2.862 . 0 0 "[ . 1]" 1
1377 1 126 GLY QA 1 129 ALA MB 0.000 . 5.000 3.079 2.813 3.294 . 0 0 "[ . 1]" 1
1378 1 126 GLY QA 1 129 ALA H 0.000 . 5.000 3.312 3.208 3.483 . 0 0 "[ . 1]" 1
1379 1 127 LEU H 1 127 LEU QD 0.000 . 3.500 2.348 1.932 3.759 0.259 10 0 "[ . 1]" 1
1380 1 127 LEU HA 1 128 ALA H 0.000 . 5.000 3.529 3.522 3.543 . 0 0 "[ . 1]" 1
1381 1 127 LEU HB2 1 128 ALA MB 0.000 . 5.000 5.195 5.126 5.262 0.262 10 0 "[ . 1]" 1
1382 1 127 LEU HB2 1 128 ALA H 0.000 . 4.700 3.937 3.877 4.002 . 0 0 "[ . 1]" 1
1383 1 127 LEU QD 1 128 ALA H 0.000 . 5.000 1.812 1.335 3.437 . 0 0 "[ . 1]" 1
1384 1 127 LEU HG 1 128 ALA HA 0.000 . 5.000 3.005 2.903 3.394 . 0 0 "[ . 1]" 1
1385 1 127 LEU H 1 128 ALA H 0.000 . 3.000 2.790 2.487 2.903 . 0 0 "[ . 1]" 1
1386 1 127 LEU HG 1 129 ALA H 0.000 . 5.000 5.007 4.761 5.059 0.059 9 0 "[ . 1]" 1
1387 1 127 LEU H 1 129 ALA H 0.000 . 5.000 4.423 3.830 4.597 . 0 0 "[ . 1]" 1
1388 1 127 LEU HA 1 130 TYR HB3 0.000 . 5.000 2.582 2.336 2.874 . 0 0 "[ . 1]" 1
1389 1 127 LEU HA 1 130 TYR HB2 0.000 . 5.000 3.327 2.938 3.675 . 0 0 "[ . 1]" 1
1390 1 127 LEU HA 1 130 TYR H 0.000 . 5.000 3.466 3.244 3.656 . 0 0 "[ . 1]" 1
1391 1 127 LEU HA 1 131 MET H 0.000 . 5.000 3.999 3.545 4.283 . 0 0 "[ . 1]" 1
1392 1 127 LEU QD 1 131 MET ME 0.000 . 5.000 3.910 2.632 4.661 . 0 0 "[ . 1]" 1
1393 1 127 LEU HG 1 131 MET ME 0.000 . 5.000 4.422 2.280 5.150 0.150 8 0 "[ . 1]" 1
1394 1 127 LEU HG 1 131 MET QG 0.000 . 5.000 4.027 3.685 5.030 0.030 8 0 "[ . 1]" 1
1395 1 127 LEU QD 1 131 MET H 0.000 . 5.000 4.646 3.029 5.049 0.049 4 0 "[ . 1]" 1
1396 1 128 ALA H 1 129 ALA H 0.000 . 3.900 2.828 2.752 2.905 . 0 0 "[ . 1]" 1
1397 1 128 ALA H 1 130 TYR H 0.000 . 5.000 4.160 4.088 4.262 . 0 0 "[ . 1]" 1
1398 1 128 ALA HA 1 131 MET HB2 0.000 . 5.000 4.532 2.444 4.806 . 0 0 "[ . 1]" 1
1399 1 128 ALA HA 1 131 MET ME 0.000 . 5.000 3.706 2.623 4.210 . 0 0 "[ . 1]" 1
1400 1 128 ALA HA 1 131 MET H 0.000 . 5.000 3.691 3.545 4.019 . 0 0 "[ . 1]" 1
1401 1 129 ALA MB 1 130 TYR HA 0.000 . 5.000 3.826 3.790 3.872 . 0 0 "[ . 1]" 1
1402 1 129 ALA MB 1 130 TYR HB2 0.000 . 5.000 4.023 3.890 4.120 . 0 0 "[ . 1]" 1
1403 1 129 ALA MB 1 130 TYR H 0.000 . 3.900 2.588 2.536 2.619 . 0 0 "[ . 1]" 1
1404 1 129 ALA H 1 130 TYR H 0.000 . 3.500 2.592 2.547 2.634 . 0 0 "[ . 1]" 1
1405 1 129 ALA HA 1 130 TYR H 0.000 . 3.500 3.517 3.505 3.530 0.030 10 0 "[ . 1]" 1
1406 1 129 ALA MB 1 131 MET H 0.000 . 5.000 4.525 4.355 4.775 . 0 0 "[ . 1]" 1
1407 1 129 ALA HA 1 132 ARG QB 0.000 . 5.000 2.977 2.711 3.384 . 0 0 "[ . 1]" 1
1408 1 129 ALA HA 1 132 ARG H 0.000 . 5.000 3.680 3.320 3.963 . 0 0 "[ . 1]" 1
1409 1 129 ALA MB 1 132 ARG H 0.000 . 5.000 4.824 4.563 4.959 . 0 0 "[ . 1]" 1
1410 1 129 ALA HA 1 133 ASP H 0.000 . 5.000 4.364 4.203 4.558 . 0 0 "[ . 1]" 1
1411 1 130 TYR HA 1 131 MET H 0.000 . 5.000 3.510 3.486 3.541 . 0 0 "[ . 1]" 1
1412 1 130 TYR HB2 1 131 MET H 0.000 . 4.700 3.834 3.614 3.922 . 0 0 "[ . 1]" 1
1413 1 130 TYR H 1 131 MET H 0.000 . 3.600 2.654 2.518 2.716 . 0 0 "[ . 1]" 1
1414 1 130 TYR H 1 132 ARG H 0.000 . 5.000 4.353 4.121 4.571 . 0 0 "[ . 1]" 1
1415 1 130 TYR HA 1 133 ASP HB3 0.000 . 5.000 4.533 2.932 4.963 . 0 0 "[ . 1]" 1
1416 1 130 TYR HA 1 133 ASP HB2 0.000 . 5.000 4.911 3.785 5.118 0.118 3 0 "[ . 1]" 1
1417 1 130 TYR HA 1 133 ASP H 0.000 . 5.000 4.034 3.629 4.228 . 0 0 "[ . 1]" 1
1418 1 130 TYR HA 1 134 ALA H 0.000 . 5.000 4.397 4.191 4.534 . 0 0 "[ . 1]" 1
1419 1 131 MET H 1 131 MET QG 0.000 . 3.800 2.161 1.884 3.003 . 0 0 "[ . 1]" 1
1420 1 131 MET HA 1 132 ARG H 0.000 . 5.000 3.573 3.557 3.606 . 0 0 "[ . 1]" 1
1421 1 131 MET HB2 1 132 ARG HA 0.000 . 4.600 4.389 4.173 4.719 0.119 8 0 "[ . 1]" 1
1422 1 131 MET ME 1 132 ARG H 0.000 . 5.000 4.242 3.862 4.746 . 0 0 "[ . 1]" 1
1423 1 131 MET QG 1 132 ARG H 0.000 . 5.000 2.155 1.755 4.320 . 0 0 "[ . 1]" 1
1424 1 131 MET H 1 132 ARG H 0.000 . 4.000 2.666 2.548 2.917 . 0 0 "[ . 1]" 1
1425 1 131 MET HA 1 134 ALA MB 0.000 . 5.000 2.522 2.337 2.879 . 0 0 "[ . 1]" 1
1426 1 131 MET HA 1 134 ALA H 0.000 . 5.000 3.480 3.393 3.776 . 0 0 "[ . 1]" 1
1427 1 131 MET QG 1 134 ALA MB 0.000 . 5.000 4.702 3.867 4.860 . 0 0 "[ . 1]" 1
1428 1 131 MET HB3 1 135 ILE MD 0.000 . 5.000 4.229 2.887 5.021 0.021 10 0 "[ . 1]" 1
1429 1 131 MET ME 1 135 ILE MD 0.000 . 5.000 2.708 2.118 4.053 . 0 0 "[ . 1]" 1
1430 1 131 MET HA 1 135 ILE H 0.000 . 5.000 4.041 3.853 4.656 . 0 0 "[ . 1]" 1
1431 1 132 ARG QB 1 133 ASP H 0.000 . 4.600 2.410 2.361 2.436 . 0 0 "[ . 1]" 1
1432 1 132 ARG QD 1 133 ASP HA 0.000 . 5.000 2.468 2.181 4.243 . 0 0 "[ . 1]" 1
1433 1 132 ARG QD 1 133 ASP HB3 0.000 . 5.000 3.375 2.994 4.976 . 0 0 "[ . 1]" 1
1434 1 132 ARG QG 1 133 ASP HB3 0.000 . 5.000 5.045 4.949 5.441 0.441 10 0 "[ . 1]" 1
1435 1 132 ARG H 1 133 ASP H 0.000 . 3.700 2.844 2.745 2.874 . 0 0 "[ . 1]" 1
1436 1 132 ARG HA 1 133 ASP H 0.000 . 3.500 3.522 3.513 3.533 0.033 2 0 "[ . 1]" 1
1437 1 132 ARG QD 1 133 ASP H 0.000 . 4.500 2.876 2.620 4.338 . 0 0 "[ . 1]" 1
1438 1 132 ARG HE 1 133 ASP H 0.000 . 3.500 3.042 2.407 3.510 0.010 6 0 "[ . 1]" 1
1439 1 132 ARG QG 1 133 ASP H 0.000 . 3.500 3.704 3.580 3.745 0.245 7 0 "[ . 1]" 1
1440 1 132 ARG HA 1 134 ALA H 0.000 . 5.000 4.426 4.322 4.535 . 0 0 "[ . 1]" 1
1441 1 132 ARG HA 1 135 ILE HB 0.000 . 5.000 2.709 2.506 2.795 . 0 0 "[ . 1]" 1
1442 1 132 ARG HA 1 135 ILE MD 0.000 . 5.000 2.685 2.249 2.926 . 0 0 "[ . 1]" 1
1443 1 132 ARG HA 1 135 ILE QG 0.000 . 5.000 3.621 3.166 3.957 . 0 0 "[ . 1]" 1
1444 1 132 ARG HA 1 135 ILE MG 0.000 . 5.000 4.055 3.914 4.115 . 0 0 "[ . 1]" 1
1445 1 132 ARG QG 1 135 ILE HB 0.000 . 5.000 3.888 3.369 4.091 . 0 0 "[ . 1]" 1
1446 1 132 ARG H 1 135 ILE MD 0.000 . 5.000 4.054 3.904 4.156 . 0 0 "[ . 1]" 1
1447 1 132 ARG HA 1 135 ILE H 0.000 . 5.000 3.491 3.293 3.601 . 0 0 "[ . 1]" 1
1448 1 132 ARG HG2 1 135 ILE H 0.000 . 5.000 4.959 4.465 5.088 0.088 2 0 "[ . 1]" 1
1449 1 132 ARG QD 1 136 LEU HA 0.000 . 5.000 5.099 5.062 5.215 0.215 5 0 "[ . 1]" 1
1450 1 132 ARG QD 1 136 LEU QD 0.000 . 5.000 3.044 1.883 3.736 . 0 0 "[ . 1]" 1
1451 1 132 ARG QG 1 136 LEU HA 0.000 . 5.000 4.826 4.223 4.992 . 0 0 "[ . 1]" 1
1452 1 132 ARG QG 1 136 LEU QD 0.000 . 5.000 3.387 1.921 3.969 . 0 0 "[ . 1]" 1
1453 1 133 ASP HA 1 134 ALA HA 0.000 . 5.000 4.801 4.777 4.830 . 0 0 "[ . 1]" 1
1454 1 133 ASP HB3 1 134 ALA H 0.000 . 4.600 3.887 2.476 4.139 . 0 0 "[ . 1]" 1
1455 1 133 ASP HB2 1 134 ALA MB 0.000 . 5.000 4.825 4.667 5.221 0.221 10 0 "[ . 1]" 1
1456 1 133 ASP HB2 1 134 ALA H 0.000 . 4.300 3.635 3.501 3.842 . 0 0 "[ . 1]" 1
1457 1 133 ASP H 1 134 ALA H 0.000 . 3.700 2.641 2.591 2.743 . 0 0 "[ . 1]" 1
1458 1 133 ASP HA 1 134 ALA H 0.000 . 3.500 3.517 3.501 3.536 0.036 8 0 "[ . 1]" 1
1459 1 133 ASP HA 1 135 ILE H 0.000 . 5.000 4.279 4.158 4.393 . 0 0 "[ . 1]" 1
1460 1 133 ASP H 1 135 ILE H 0.000 . 5.000 4.041 4.010 4.092 . 0 0 "[ . 1]" 1
1461 1 133 ASP HA 1 136 LEU QB 0.000 . 5.000 2.332 2.230 2.581 . 0 0 "[ . 1]" 1
1462 1 133 ASP HA 1 136 LEU QD 0.000 . 5.000 3.566 2.799 4.067 . 0 0 "[ . 1]" 1
1463 1 133 ASP HA 1 136 LEU H 0.000 . 5.000 3.223 3.064 3.331 . 0 0 "[ . 1]" 1
1464 1 133 ASP HA 1 137 ALA H 0.000 . 5.000 3.545 3.387 3.736 . 0 0 "[ . 1]" 1
1465 1 134 ALA MB 1 135 ILE HA 0.000 . 5.000 3.844 3.806 3.882 . 0 0 "[ . 1]" 1
1466 1 134 ALA MB 1 135 ILE HB 0.000 . 5.000 4.465 4.366 4.506 . 0 0 "[ . 1]" 1
1467 1 134 ALA H 1 135 ILE HB 0.000 . 5.000 4.734 4.706 4.767 . 0 0 "[ . 1]" 1
1468 1 134 ALA H 1 135 ILE H 0.000 . 3.700 2.585 2.565 2.610 . 0 0 "[ . 1]" 1
1469 1 134 ALA MB 1 135 ILE H 0.000 . 4.000 2.503 2.451 2.578 . 0 0 "[ . 1]" 1
1470 1 134 ALA HA 1 135 ILE H 0.000 . 3.500 3.516 3.502 3.530 0.030 7 0 "[ . 1]" 1
1471 1 134 ALA MB 1 136 LEU H 0.000 . 5.000 4.522 4.479 4.655 . 0 0 "[ . 1]" 1
1472 1 134 ALA H 1 136 LEU H 0.000 . 5.000 4.009 3.942 4.234 . 0 0 "[ . 1]" 1
1473 1 134 ALA HA 1 137 ALA MB 0.000 . 5.000 3.085 2.879 3.262 . 0 0 "[ . 1]" 1
1474 1 134 ALA HA 1 137 ALA H 0.000 . 5.000 3.932 3.862 4.111 . 0 0 "[ . 1]" 1
1475 1 134 ALA HA 1 138 ASN H 0.000 . 5.000 4.050 3.949 4.203 . 0 0 "[ . 1]" 1
1476 1 135 ILE H 1 135 ILE QG 0.000 . 5.000 2.245 2.167 2.313 . 0 0 "[ . 1]" 1
1477 1 135 ILE HA 1 136 LEU H 0.000 . 5.000 3.543 3.528 3.581 . 0 0 "[ . 1]" 1
1478 1 135 ILE HB 1 136 LEU H 0.000 . 3.900 2.544 2.494 2.596 . 0 0 "[ . 1]" 1
1479 1 135 ILE MG 1 136 LEU HA 0.000 . 5.000 3.275 3.233 3.339 . 0 0 "[ . 1]" 1
1480 1 135 ILE H 1 136 LEU H 0.000 . 4.200 2.532 2.489 2.618 . 0 0 "[ . 1]" 1
1481 1 135 ILE MG 1 136 LEU H 0.000 . 3.500 3.332 3.284 3.375 . 0 0 "[ . 1]" 1
1482 1 135 ILE HB 1 137 ALA H 0.000 . 5.000 5.074 4.994 5.122 0.122 10 0 "[ . 1]" 1
1483 1 135 ILE H 1 137 ALA H 0.000 . 5.000 4.167 4.077 4.268 . 0 0 "[ . 1]" 1
1484 1 135 ILE MG 1 137 ALA H 0.000 . 5.000 5.030 5.013 5.064 0.064 10 0 "[ . 1]" 1
1485 1 135 ILE HA 1 138 ASN HB3 0.000 . 5.000 2.386 2.309 2.436 . 0 0 "[ . 1]" 1
1486 1 135 ILE HA 1 138 ASN HB2 0.000 . 5.000 3.268 3.111 3.436 . 0 0 "[ . 1]" 1
1487 1 135 ILE HA 1 138 ASN H 0.000 . 5.000 3.477 3.401 3.588 . 0 0 "[ . 1]" 1
1488 1 135 ILE MG 1 139 ALA MB 0.000 . 5.000 3.291 3.026 3.643 . 0 0 "[ . 1]" 1
1489 1 135 ILE HA 1 139 ALA H 0.000 . 5.000 4.064 3.919 4.164 . 0 0 "[ . 1]" 1
1490 1 136 LEU H 1 136 LEU QD 0.000 . 3.500 3.437 1.953 3.688 0.188 5 0 "[ . 1]" 1
1491 1 136 LEU QB 1 137 ALA HA 0.000 . 5.000 4.002 3.721 4.108 . 0 0 "[ . 1]" 1
1492 1 136 LEU QB 1 137 ALA MB 0.000 . 5.000 3.651 3.607 3.703 . 0 0 "[ . 1]" 1
1493 1 136 LEU QB 1 137 ALA H 0.000 . 3.900 2.329 2.286 2.365 . 0 0 "[ . 1]" 1
1494 1 136 LEU H 1 137 ALA MB 0.000 . 5.000 4.328 4.247 4.422 . 0 0 "[ . 1]" 1
1495 1 136 LEU H 1 137 ALA H 0.000 . 3.700 2.703 2.636 2.762 . 0 0 "[ . 1]" 1
1496 1 136 LEU HA 1 137 ALA H 0.000 . 3.500 3.523 3.504 3.530 0.030 7 0 "[ . 1]" 1
1497 1 136 LEU QD 1 137 ALA H 0.000 . 3.500 3.061 2.817 3.669 0.169 10 0 "[ . 1]" 1
1498 1 136 LEU HA 1 138 ASN HB3 0.000 . 5.000 5.109 5.053 5.156 0.156 9 0 "[ . 1]" 1
1499 1 136 LEU HA 1 139 ALA MB 0.000 . 5.000 2.950 2.652 3.090 . 0 0 "[ . 1]" 1
1500 1 136 LEU HA 1 139 ALA H 0.000 . 5.000 3.601 3.505 3.718 . 0 0 "[ . 1]" 1
1501 1 136 LEU QD 1 139 ALA MB 0.000 . 5.000 3.258 2.946 3.880 . 0 0 "[ . 1]" 1
1502 1 136 LEU HG 1 140 VAL MG2 0.000 . 5.000 4.518 4.077 4.833 . 0 0 "[ . 1]" 1
1503 1 136 LEU HA 1 140 VAL H 0.000 . 5.000 4.635 4.355 4.838 . 0 0 "[ . 1]" 1
1504 1 137 ALA MB 1 138 ASN HA 0.000 . 5.000 3.748 3.688 3.795 . 0 0 "[ . 1]" 1
1505 1 137 ALA MB 1 138 ASN H 0.000 . 3.900 2.423 2.392 2.467 . 0 0 "[ . 1]" 1
1506 1 137 ALA H 1 138 ASN H 0.000 . 3.300 2.674 2.620 2.765 . 0 0 "[ . 1]" 1
1507 1 137 ALA HA 1 139 ALA H 0.000 . 5.000 4.288 4.210 4.437 . 0 0 "[ . 1]" 1
1508 1 137 ALA MB 1 139 ALA H 0.000 . 5.000 4.442 4.386 4.539 . 0 0 "[ . 1]" 1
1509 1 137 ALA HA 1 140 VAL HB 0.000 . 5.000 2.958 2.727 3.207 . 0 0 "[ . 1]" 1
1510 1 137 ALA HA 1 140 VAL MG1 0.000 . 5.000 4.153 3.956 4.330 . 0 0 "[ . 1]" 1
1511 1 137 ALA HA 1 140 VAL MG2 0.000 . 5.000 2.390 2.249 2.793 . 0 0 "[ . 1]" 1
1512 1 137 ALA HA 1 140 VAL H 0.000 . 5.000 3.343 3.286 3.383 . 0 0 "[ . 1]" 1
1513 1 137 ALA MB 1 140 VAL MG1 0.000 . 5.000 4.759 4.629 4.868 . 0 0 "[ . 1]" 1
1514 1 137 ALA MB 1 140 VAL H 0.000 . 5.000 4.451 4.391 4.534 . 0 0 "[ . 1]" 1
1515 1 138 ASN HA 1 139 ALA H 0.000 . 5.000 3.538 3.531 3.553 . 0 0 "[ . 1]" 1
1516 1 138 ASN HB3 1 139 ALA H 0.000 . 5.000 2.597 2.520 2.652 . 0 0 "[ . 1]" 1
1517 1 138 ASN HB2 1 139 ALA H 0.000 . 5.000 3.914 3.854 3.951 . 0 0 "[ . 1]" 1
1518 1 138 ASN H 1 139 ALA H 0.000 . 3.700 2.761 2.725 2.811 . 0 0 "[ . 1]" 1
1519 1 138 ASN H 1 140 VAL H 0.000 . 5.000 4.157 4.011 4.297 . 0 0 "[ . 1]" 1
1520 1 138 ASN HA 1 141 ARG QB 0.000 . 5.000 4.123 3.586 4.428 . 0 0 "[ . 1]" 1
1521 1 138 ASN HA 1 141 ARG QD 0.000 . 5.000 3.214 2.631 4.054 . 0 0 "[ . 1]" 1
1522 1 138 ASN HA 1 141 ARG HE 0.000 . 5.000 3.619 2.140 5.025 0.025 5 0 "[ . 1]" 1
1523 1 138 ASN HA 1 141 ARG QG 0.000 . 5.000 2.341 2.154 2.589 . 0 0 "[ . 1]" 1
1524 1 138 ASN HA 1 141 ARG H 0.000 . 5.000 3.763 3.626 3.952 . 0 0 "[ . 1]" 1
1525 1 138 ASN HB3 1 141 ARG QG 0.000 . 5.000 4.765 4.619 4.873 . 0 0 "[ . 1]" 1
1526 1 138 ASN HB3 1 142 HIS HE1 0.000 . 5.000 5.015 4.844 5.086 0.086 10 0 "[ . 1]" 1
1527 1 139 ALA HA 1 140 VAL H 0.000 . 5.000 3.511 3.456 3.545 . 0 0 "[ . 1]" 1
1528 1 139 ALA MB 1 140 VAL HA 0.000 . 5.000 3.815 3.755 3.883 . 0 0 "[ . 1]" 1
1529 1 139 ALA MB 1 140 VAL HB 0.000 . 5.000 4.785 4.650 4.895 . 0 0 "[ . 1]" 1
1530 1 139 ALA MB 1 140 VAL MG1 0.000 . 5.000 5.014 4.963 5.048 0.048 4 0 "[ . 1]" 1
1531 1 139 ALA MB 1 140 VAL MG2 0.000 . 5.000 3.199 3.061 3.365 . 0 0 "[ . 1]" 1
1532 1 139 ALA MB 1 140 VAL H 0.000 . 3.900 2.695 2.496 2.887 . 0 0 "[ . 1]" 1
1533 1 139 ALA H 1 140 VAL H 0.000 . 3.600 2.630 2.584 2.683 . 0 0 "[ . 1]" 1
1534 1 139 ALA MB 1 141 ARG H 0.000 . 5.000 4.711 4.484 4.855 . 0 0 "[ . 1]" 1
1535 1 139 ALA H 1 141 ARG H 0.000 . 5.000 4.421 4.219 4.521 . 0 0 "[ . 1]" 1
1536 1 139 ALA HA 1 142 HIS HB3 0.000 . 5.000 4.823 4.526 5.098 0.098 10 0 "[ . 1]" 1
1537 1 139 ALA HA 1 142 HIS HB2 0.000 . 5.000 3.239 2.900 3.848 . 0 0 "[ . 1]" 1
1538 1 139 ALA HA 1 142 HIS H 0.000 . 5.000 3.687 3.527 4.031 . 0 0 "[ . 1]" 1
1539 1 140 VAL H 1 140 VAL MG2 0.000 . 3.300 2.129 1.901 2.307 . 0 0 "[ . 1]" 1
1540 1 140 VAL HA 1 141 ARG H 0.000 . 4.700 3.561 3.522 3.578 . 0 0 "[ . 1]" 1
1541 1 140 VAL HB 1 141 ARG H 0.000 . 3.500 2.568 2.443 2.636 . 0 0 "[ . 1]" 1
1542 1 140 VAL MG1 1 141 ARG H 0.000 . 4.800 3.336 3.240 3.456 . 0 0 "[ . 1]" 1
1543 1 140 VAL MG2 1 141 ARG H 0.000 . 5.000 3.858 3.742 3.953 . 0 0 "[ . 1]" 1
1544 1 140 VAL H 1 141 ARG H 0.000 . 3.800 2.768 2.627 2.903 . 0 0 "[ . 1]" 1
1545 1 140 VAL HA 1 142 HIS H 0.000 . 5.000 3.692 3.556 3.833 . 0 0 "[ . 1]" 1
1546 1 140 VAL H 1 142 HIS H 0.000 . 5.000 3.980 3.821 4.044 . 0 0 "[ . 1]" 1
1547 1 140 VAL QG 1 142 HIS H 0.000 . 5.000 4.161 4.034 4.250 . 0 0 "[ . 1]" 1
1548 1 140 VAL HA 1 143 THR HA 0.000 . 5.000 4.989 4.751 5.053 0.053 10 0 "[ . 1]" 1
1549 1 140 VAL HA 1 143 THR HB 0.000 . 5.000 2.576 2.292 3.478 . 0 0 "[ . 1]" 1
1550 1 140 VAL HA 1 143 THR MG 0.000 . 5.000 3.624 2.040 4.223 . 0 0 "[ . 1]" 1
1551 1 140 VAL HA 1 143 THR H 0.000 . 5.000 3.167 2.933 3.272 . 0 0 "[ . 1]" 1
1552 1 140 VAL MG1 1 143 THR H 0.000 . 5.000 4.496 4.221 4.662 . 0 0 "[ . 1]" 1
1553 1 140 VAL MG2 1 143 THR HB 0.000 . 5.000 4.230 3.981 4.965 . 0 0 "[ . 1]" 1
1554 1 140 VAL QG 1 143 THR H 0.000 . 5.000 4.172 4.032 4.275 . 0 0 "[ . 1]" 1
1555 1 141 ARG H 1 141 ARG QG 0.000 . 3.800 1.878 1.687 2.045 . 0 0 "[ . 1]" 1
1556 1 141 ARG H 1 141 ARG HE 0.000 . 4.500 4.356 3.649 4.640 0.140 10 0 "[ . 1]" 1
1557 1 141 ARG HA 1 142 HIS H 0.000 . 4.500 3.390 3.291 3.418 . 0 0 "[ . 1]" 1
1558 1 141 ARG HE 1 142 HIS HE1 0.000 . 5.000 4.473 1.801 5.109 0.109 2 0 "[ . 1]" 1
1559 1 141 ARG QG 1 142 HIS H 0.000 . 5.000 3.045 2.539 3.809 . 0 0 "[ . 1]" 1
1560 1 141 ARG H 1 142 HIS H 0.000 . 3.500 2.670 2.561 2.796 . 0 0 "[ . 1]" 1
1561 1 141 ARG QD 1 142 HIS H 0.000 . 4.500 4.381 2.761 4.618 0.118 5 0 "[ . 1]" 1
1562 1 141 ARG H 1 143 THR H 0.000 . 5.000 4.281 4.206 4.345 . 0 0 "[ . 1]" 1
1563 1 141 ARG HA 1 143 THR H 0.000 . 5.000 4.758 4.228 5.008 0.008 5 0 "[ . 1]" 1
1564 1 142 HIS HB3 1 143 THR H 0.000 . 5.000 3.732 3.574 3.948 . 0 0 "[ . 1]" 1
1565 1 142 HIS H 1 143 THR H 0.000 . 2.600 2.171 2.036 2.263 . 0 0 "[ . 1]" 1
1566 1 142 HIS HB2 1 143 THR H 0.000 . 3.500 2.592 2.470 2.752 . 0 0 "[ . 1]" 1
1567 1 143 THR H 1 143 THR MG 0.000 . 4.600 3.633 2.585 3.755 . 0 0 "[ . 1]" 1
1568 1 143 THR HA 1 144 PRO QD 0.000 . 2.700 2.041 2.030 2.061 . 0 0 "[ . 1]" 1
1569 1 143 THR HB 1 144 PRO QD 0.000 . 5.000 4.143 3.691 4.348 . 0 0 "[ . 1]" 1
1570 1 143 THR MG 1 144 PRO QB 0.000 . 5.000 4.244 4.034 4.915 . 0 0 "[ . 1]" 1
1571 1 143 THR MG 1 144 PRO QD 0.000 . 5.000 2.634 2.029 3.475 . 0 0 "[ . 1]" 1
1572 1 143 THR H 1 144 PRO QD 0.000 . 5.000 4.177 4.045 4.358 . 0 0 "[ . 1]" 1
1573 1 14 PHE QE 2 6 ALA MB 0.000 . 5.000 4.917 3.799 5.183 0.183 8 0 "[ . 1]" 1
1574 1 17 PHE HZ 2 4 GLY H 0.000 . 5.000 4.629 4.005 5.090 0.090 9 0 "[ . 1]" 1
1575 1 17 PHE QE 2 6 ALA MB 0.000 . 5.000 2.855 2.249 3.395 . 0 0 "[ . 1]" 1
1576 1 17 PHE HZ 2 6 ALA HA 0.000 . 5.000 5.113 5.066 5.191 0.191 6 0 "[ . 1]" 1
1577 1 23 GLU HA 2 4 GLY H 0.000 . 4.800 4.547 3.905 5.107 0.307 10 0 "[ . 1]" 1
1578 1 26 VAL HB 2 4 GLY H 0.000 . 4.800 4.868 4.590 4.996 0.196 8 0 "[ . 1]" 1
1579 1 36 TYR QD 2 8 ALA MB 0.000 . 5.000 5.127 5.034 5.258 0.258 2 0 "[ . 1]" 1
1580 1 51 TRP HH2 2 8 ALA MB 0.000 . 5.500 5.523 5.399 5.683 0.183 3 0 "[ . 1]" 1
1581 1 91 ILE MD 2 8 ALA HA 0.000 . 5.000 2.867 2.069 3.658 . 0 0 "[ . 1]" 1
1582 1 91 ILE MG 2 8 ALA HA 0.000 . 5.000 4.147 3.523 4.500 . 0 0 "[ . 1]" 1
1583 1 91 ILE QG 2 8 ALA MB 0.000 . 5.000 3.237 2.546 5.104 0.104 2 0 "[ . 1]" 1
1584 1 91 ILE MG 2 8 ALA MB 0.000 . 5.000 4.705 4.005 5.120 0.120 7 0 "[ . 1]" 1
1585 1 95 HIS HE1 2 3 VAL H 4.500 4.500 104.500 6.997 4.966 9.847 . 0 0 "[ . 1]" 1
1586 1 95 HIS QB 2 8 ALA MB 0.000 . 5.000 2.936 2.139 3.561 . 0 0 "[ . 1]" 1
1587 1 96 TYR QD 2 8 ALA MB 0.000 . 5.000 4.749 4.234 5.150 0.150 1 0 "[ . 1]" 1
1588 1 96 TYR QE 2 8 ALA MB 0.000 . 5.000 3.817 3.068 5.011 0.011 8 0 "[ . 1]" 1
1589 1 106 LEU MD1 2 8 ALA HA 0.000 . 5.000 4.252 3.051 5.195 0.195 8 0 "[ . 1]" 1
1590 1 106 LEU MD2 2 8 ALA HA 0.000 . 5.000 4.243 3.626 5.018 0.018 6 0 "[ . 1]" 1
1591 1 106 LEU QD 2 8 ALA MB 0.000 . 5.000 4.365 3.936 4.697 . 0 0 "[ . 1]" 1
1592 1 116 PHE HZ 2 3 VAL H 4.500 4.500 104.500 6.103 4.764 6.511 . 0 0 "[ . 1]" 1
1593 1 116 PHE QE 2 3 VAL H 4.500 4.500 104.500 5.714 5.430 6.430 . 0 0 "[ . 1]" 1
1594 1 116 PHE HZ 2 4 GLY H 0.000 . 5.000 4.945 4.491 5.065 0.065 6 0 "[ . 1]" 1
1595 1 116 PHE HZ 2 4 GLY HA2 0.000 . 5.000 2.263 2.202 2.338 . 0 0 "[ . 1]" 1
1596 1 116 PHE QB 2 4 GLY H 4.500 4.500 104.500 8.491 8.207 8.970 . 0 0 "[ . 1]" 1
1597 1 116 PHE HZ 2 6 ALA H 0.000 . 5.000 4.716 3.253 5.091 0.091 2 0 "[ . 1]" 1
1598 1 116 PHE HZ 2 8 ALA H 4.500 4.500 104.500 6.851 5.549 7.289 . 0 0 "[ . 1]" 1
1599 1 119 ASN QB 2 6 ALA HA 0.000 . 5.000 4.094 3.610 4.412 . 0 0 "[ . 1]" 1
1600 2 3 VAL HA 2 3 VAL HB 2.500 . 5.000 2.919 2.457 3.035 . 0 0 "[ . 1]" 1
1601 2 3 VAL HA 2 3 VAL MG1 2.500 . 5.000 2.500 2.300 3.208 . 0 0 "[ . 1]" 1
1602 2 3 VAL HA 2 3 VAL MG2 2.500 . 5.000 2.372 2.276 2.401 . 0 0 "[ . 1]" 1
1603 2 3 VAL H 2 3 VAL HA 2.500 . 5.000 2.801 2.750 2.828 . 0 0 "[ . 1]" 1
1604 2 3 VAL H 2 3 VAL HB 2.500 . 5.000 3.252 3.121 3.621 . 0 0 "[ . 1]" 1
1605 2 3 VAL H 2 3 VAL QG 2.500 . 5.000 3.068 2.591 3.192 . 0 0 "[ . 1]" 1
1606 2 3 VAL QG 2 4 GLY H 2.500 . 5.000 1.915 1.726 2.291 0.074 9 0 "[ . 1]" 1
1607 2 3 VAL HA 2 4 GLY H 2.500 . 5.000 2.439 2.240 2.550 . 0 0 "[ . 1]" 1
1608 2 3 VAL H 2 4 GLY HA2 2.500 . 5.000 4.401 4.337 4.450 . 0 0 "[ . 1]" 1
1609 2 3 VAL H 2 4 GLY H 4.500 4.500 104.500 4.258 4.107 4.329 0.393 10 0 "[ . 1]" 1
1610 2 3 VAL QG 2 6 ALA H 2.500 . 5.000 3.159 1.829 3.558 . 0 0 "[ . 1]" 1
1611 2 3 VAL HA 2 6 ALA H 4.500 4.500 104.500 6.144 5.093 6.496 . 0 0 "[ . 1]" 1
1612 2 3 VAL HB 2 6 ALA H 4.500 4.500 104.500 4.375 4.320 4.486 0.180 8 0 "[ . 1]" 1
1613 2 3 VAL HA 2 8 ALA MB 2.500 . 5.000 4.784 4.629 5.067 0.067 10 0 "[ . 1]" 1
1614 2 3 VAL HB 2 8 ALA MB 2.500 . 5.000 3.097 2.727 3.779 . 0 0 "[ . 1]" 1
1615 2 3 VAL MG1 2 8 ALA MB 2.500 . 5.000 3.868 2.516 4.273 . 0 0 "[ . 1]" 1
1616 2 3 VAL MG2 2 8 ALA MB 2.500 . 5.000 2.977 2.517 4.625 . 0 0 "[ . 1]" 1
1617 2 3 VAL QG 2 8 ALA HA 2.500 . 5.000 4.873 4.044 5.130 0.130 2 0 "[ . 1]" 1
1618 2 3 VAL QG 2 8 ALA H 2.500 . 5.000 3.372 1.872 3.763 . 0 0 "[ . 1]" 1
1619 2 3 VAL H 2 8 ALA MB 2.500 . 5.000 3.414 3.203 3.728 . 0 0 "[ . 1]" 1
1620 2 3 VAL H 2 8 ALA H 4.500 4.500 104.500 4.434 4.395 4.491 0.105 8 0 "[ . 1]" 1
1621 2 4 GLY H 2 4 GLY HA2 2.500 . 5.000 2.953 2.920 2.968 . 0 0 "[ . 1]" 1
1622 2 4 GLY HA2 2 6 ALA H 4.500 4.500 104.500 4.445 4.370 4.774 0.130 2 0 "[ . 1]" 1
1623 2 4 GLY QA 2 6 ALA H 4.500 4.500 104.500 4.244 4.199 4.438 0.301 7 0 "[ . 1]" 1
1624 2 6 ALA H 2 6 ALA HA 2.500 . 5.000 2.807 2.754 2.939 . 0 0 "[ . 1]" 1
1625 2 6 ALA H 2 6 ALA MB 2.500 . 5.000 2.784 2.457 2.874 . 0 0 "[ . 1]" 1
1626 2 6 ALA H 2 8 ALA H 4.500 4.500 104.500 4.216 4.154 4.348 0.346 8 0 "[ . 1]" 1
1627 2 8 ALA H 2 8 ALA HA 2.500 . 5.000 2.921 2.904 2.930 . 0 0 "[ . 1]" 1
1628 2 8 ALA H 2 8 ALA MB 2.500 . 5.000 2.380 2.236 2.461 . 0 0 "[ . 1]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 27
_Distance_constraint_stats_list.Viol_count 138
_Distance_constraint_stats_list.Viol_total 1954.369
_Distance_constraint_stats_list.Viol_max 3.469
_Distance_constraint_stats_list.Viol_rms 1.0314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.7238
_Distance_constraint_stats_list.Viol_average_violations_only 1.4162
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 LEU 59.300 3.251 9 10 [*****-**+*]
1 6 THR 0.000 0.000 . 0 "[ . 1]"
1 7 PRO 0.016 0.016 2 0 "[ . 1]"
1 8 GLU 0.000 0.000 . 0 "[ . 1]"
1 9 GLU 59.300 3.251 9 10 [*****-**+*]
1 10 LYS 0.000 0.000 . 0 "[ . 1]"
1 11 PHE 0.016 0.016 2 0 "[ . 1]"
1 12 GLU 0.000 0.000 . 0 "[ . 1]"
1 18 ASP 26.091 2.197 2 9 "[*+****** -]"
1 19 PRO 1.670 0.609 7 1 "[ . + 1]"
1 20 ASP 42.066 2.968 2 9 [-+*******1]
1 21 GLN 23.774 3.469 6 9 [-****+***1]
1 22 TYR 27.291 2.197 2 9 "[*+****** -]"
1 23 GLU 21.062 1.608 7 9 [******+**1]
1 24 GLU 50.908 2.968 2 9 [-+*******1]
1 25 GLU 29.363 3.469 6 9 [-****+***1]
1 26 VAL 5.105 0.669 8 2 "[ . *+ 1]"
1 27 ARG 22.985 1.755 10 10 [*********+]
1 28 GLU 8.841 1.620 7 4 "[- * . +* 1]"
1 29 ARG 5.589 1.603 7 3 "[- . +* 1]"
1 30 TRP 3.905 0.669 8 2 "[ . *+ 1]"
1 31 GLY 3.593 1.755 10 2 "[ . *+]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 LEU O 1 9 GLU H 2.000 . 2.500 5.602 5.429 5.751 3.251 9 10 [****-***+*] 2
2 1 5 LEU O 1 9 GLU N 3.000 2.300 3.500 6.328 6.209 6.463 2.963 9 10 [*****-**+*] 2
3 1 6 THR O 1 10 LYS H 2.000 . 2.500 1.865 1.656 1.974 . 0 0 "[ . 1]" 2
4 1 6 THR O 1 10 LYS N 3.000 2.300 3.500 2.823 2.625 2.927 . 0 0 "[ . 1]" 2
5 1 7 PRO O 1 11 PHE H 2.000 . 2.500 2.389 2.245 2.516 0.016 2 0 "[ . 1]" 2
6 1 7 PRO O 1 11 PHE N 3.000 2.300 3.500 3.139 3.001 3.230 . 0 0 "[ . 1]" 2
7 1 8 GLU O 1 12 GLU H 2.000 . 2.500 2.071 1.988 2.277 . 0 0 "[ . 1]" 2
8 1 8 GLU O 1 12 GLU N 3.000 2.300 3.500 2.998 2.909 3.171 . 0 0 "[ . 1]" 2
9 1 18 ASP O 1 22 TYR H 2.000 . 2.500 3.917 2.908 4.697 2.197 2 9 "[-+****** *]" 2
10 1 18 ASP O 1 22 TYR N 3.000 2.300 3.500 4.692 3.872 5.483 1.983 2 9 "[*+****** -]" 2
11 1 19 PRO O 1 23 GLU H 2.000 . 2.500 2.527 2.155 3.109 0.609 7 1 "[ . + 1]" 2
12 1 19 PRO O 1 23 GLU N 3.000 2.300 3.500 2.937 2.479 3.775 0.275 10 0 "[ . 1]" 2
13 1 20 ASP O 1 24 GLU H 2.000 . 2.500 4.675 2.123 5.468 2.968 2 9 [-+*******1] 2
14 1 20 ASP O 1 24 GLU N 3.000 2.300 3.500 5.432 2.879 6.248 2.748 2 9 [-+*******1] 2
15 1 21 GLN O 1 25 GLU N 3.000 2.300 3.500 5.877 3.682 6.969 3.469 6 9 [-****+***1] 2
16 1 22 TYR O 1 26 VAL H 2.000 . 2.500 2.335 1.834 2.916 0.416 4 0 "[ . 1]" 2
17 1 22 TYR O 1 26 VAL N 3.000 2.300 3.500 3.143 2.663 3.693 0.193 9 0 "[ . 1]" 2
18 1 23 GLU O 1 27 ARG H 2.000 . 2.500 3.466 1.782 4.108 1.608 7 9 [*****-+**1] 2
19 1 23 GLU O 1 27 ARG N 3.000 2.300 3.500 4.321 2.697 4.815 1.315 7 9 [*****-+**1] 2
20 1 24 GLU O 1 28 GLU H 2.000 . 2.500 3.003 2.544 4.120 1.620 7 4 "[- * . +* 1]" 2
21 1 24 GLU O 1 28 GLU N 3.000 2.300 3.500 3.874 3.439 4.802 1.302 7 2 "[ - . + 1]" 2
22 1 25 GLU O 1 29 ARG H 2.000 . 2.500 2.641 1.607 4.103 1.603 7 3 "[- . +* 1]" 2
23 1 25 GLU O 1 29 ARG N 3.000 2.300 3.500 3.436 2.526 4.846 1.346 7 2 "[ . +- 1]" 2
24 1 26 VAL O 1 30 TRP H 2.000 . 2.500 2.466 1.714 3.169 0.669 8 2 "[ . -+ 1]" 2
25 1 26 VAL O 1 30 TRP N 3.000 2.300 3.500 3.367 2.688 4.020 0.520 8 1 "[ . + 1]" 2
26 1 27 ARG O 1 31 GLY H 2.000 . 2.500 2.521 1.858 4.255 1.755 10 2 "[ . -+]" 2
27 1 27 ARG O 1 31 GLY N 3.000 2.300 3.500 2.947 2.421 4.026 0.526 10 1 "[ . +]" 2
stop_
save_
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