NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
582479 |
2mh9   |
19530 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mh9
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 1602
_Distance_constraint_stats_list.Viol_count 1565
_Distance_constraint_stats_list.Viol_total 997.279
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0265
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0062
_Distance_constraint_stats_list.Viol_average_violations_only 0.0637
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 THR 0.000 0.000 . 0 "[ . 1]"
1 4 LYS 0.436 0.135 4 0 "[ . 1]"
1 5 ASP 0.495 0.151 10 0 "[ . 1]"
1 6 TYR 0.346 0.151 10 0 "[ . 1]"
1 7 LYS 0.252 0.114 3 0 "[ . 1]"
1 8 THR 1.291 0.171 10 0 "[ . 1]"
1 9 ARG 1.921 0.171 10 0 "[ . 1]"
1 10 ASP 1.782 0.192 4 0 "[ . 1]"
1 11 VAL 4.473 0.232 3 0 "[ . 1]"
1 12 THR 5.838 0.229 10 0 "[ . 1]"
1 13 ASP 0.138 0.060 3 0 "[ . 1]"
1 14 ASP 1.785 0.156 7 0 "[ . 1]"
1 15 VAL 3.834 0.232 3 0 "[ . 1]"
1 16 LYS 2.281 0.194 7 0 "[ . 1]"
1 17 SER 0.146 0.053 1 0 "[ . 1]"
1 18 ILE 2.100 0.132 10 0 "[ . 1]"
1 19 VAL 4.055 0.217 7 0 "[ . 1]"
1 20 ARG 0.215 0.086 4 0 "[ . 1]"
1 21 PHE 2.652 0.139 8 0 "[ . 1]"
1 22 VAL 2.413 0.118 10 0 "[ . 1]"
1 23 GLN 2.411 0.217 7 0 "[ . 1]"
1 24 GLU 0.078 0.018 8 0 "[ . 1]"
1 25 HIS 0.925 0.103 4 0 "[ . 1]"
1 26 SER 0.135 0.049 2 0 "[ . 1]"
1 27 SER 0.011 0.011 1 0 "[ . 1]"
1 29 GLN 0.000 0.000 . 0 "[ . 1]"
1 30 GLY 0.000 0.000 . 0 "[ . 1]"
1 31 MET 0.000 0.000 . 0 "[ . 1]"
1 33 ASN 0.119 0.050 7 0 "[ . 1]"
1 34 ILE 1.310 0.189 2 0 "[ . 1]"
1 35 LYS 0.258 0.107 10 0 "[ . 1]"
1 36 HIS 0.066 0.066 9 0 "[ . 1]"
1 37 VAL 0.243 0.109 9 0 "[ . 1]"
1 38 GLY 0.177 0.109 9 0 "[ . 1]"
1 39 PRO 0.000 0.000 . 0 "[ . 1]"
1 41 GLY 0.000 0.000 . 0 "[ . 1]"
1 42 ARG 0.801 0.118 5 0 "[ . 1]"
1 43 PHE 1.229 0.120 8 0 "[ . 1]"
1 44 THR 0.995 0.092 9 0 "[ . 1]"
1 45 MET 1.050 0.090 10 0 "[ . 1]"
1 46 ASN 0.326 0.088 2 0 "[ . 1]"
1 47 MET 0.309 0.052 9 0 "[ . 1]"
1 48 LEU 0.854 0.144 9 0 "[ . 1]"
1 49 VAL 4.585 0.315 2 0 "[ . 1]"
1 50 ASP 1.465 0.155 9 0 "[ . 1]"
1 51 ILE 4.460 0.339 9 0 "[ . 1]"
1 52 PHE 1.275 0.339 9 0 "[ . 1]"
1 53 LEU 3.939 0.192 6 0 "[ . 1]"
1 54 GLY 0.179 0.044 3 0 "[ . 1]"
1 55 SER 1.093 0.148 2 0 "[ . 1]"
1 58 ALA 2.926 0.331 9 0 "[ . 1]"
1 59 LYS 0.040 0.040 9 0 "[ . 1]"
1 60 ILE 1.974 0.277 10 0 "[ . 1]"
1 61 GLN 2.085 0.219 9 0 "[ . 1]"
1 62 SER 0.244 0.063 5 0 "[ . 1]"
1 63 GLY 0.042 0.033 8 0 "[ . 1]"
1 64 ILE 2.690 0.199 9 0 "[ . 1]"
1 65 PHE 4.603 0.331 9 0 "[ . 1]"
1 66 GLY 0.031 0.014 9 0 "[ . 1]"
1 67 LYS 1.876 0.199 9 0 "[ . 1]"
1 68 GLY 0.215 0.108 8 0 "[ . 1]"
1 69 SER 0.618 0.109 9 0 "[ . 1]"
1 70 ALA 1.539 0.171 3 0 "[ . 1]"
1 71 TYR 2.015 0.192 6 0 "[ . 1]"
1 72 SER 0.139 0.036 5 0 "[ . 1]"
1 73 ARG 0.099 0.082 5 0 "[ . 1]"
1 74 HIS 0.998 0.153 2 0 "[ . 1]"
1 75 ASN 0.066 0.066 9 0 "[ . 1]"
1 76 ALA 0.359 0.048 10 0 "[ . 1]"
1 77 GLU 0.314 0.131 2 0 "[ . 1]"
1 78 ARG 1.641 0.210 8 0 "[ . 1]"
1 79 LEU 9.589 0.268 4 0 "[ . 1]"
1 80 PHE 0.902 0.090 8 0 "[ . 1]"
1 81 LYS 3.814 0.268 4 0 "[ . 1]"
1 82 LYS 2.961 0.198 8 0 "[ . 1]"
1 83 LEU 5.207 0.249 1 0 "[ . 1]"
1 84 ILE 0.341 0.045 8 0 "[ . 1]"
1 85 LEU 1.453 0.159 1 0 "[ . 1]"
1 86 ASP 0.236 0.048 4 0 "[ . 1]"
1 87 LYS 5.375 0.248 4 0 "[ . 1]"
1 88 ILE 2.414 0.158 10 0 "[ . 1]"
1 89 LEU 4.115 0.216 7 0 "[ . 1]"
1 90 ASP 0.666 0.096 3 0 "[ . 1]"
1 91 GLU 1.284 0.178 1 0 "[ . 1]"
1 92 ASP 0.209 0.093 10 0 "[ . 1]"
1 93 LEU 0.766 0.154 10 0 "[ . 1]"
1 94 TYR 2.195 0.196 8 0 "[ . 1]"
1 95 ILE 6.223 0.224 7 0 "[ . 1]"
1 96 ASN 1.392 0.185 5 0 "[ . 1]"
1 97 ALA 0.350 0.184 6 0 "[ . 1]"
1 98 ASN 1.959 0.162 9 0 "[ . 1]"
1 99 ASP 1.635 0.224 7 0 "[ . 1]"
1 100 GLN 1.481 0.179 5 0 "[ . 1]"
1 101 ALA 0.961 0.179 5 0 "[ . 1]"
1 102 ILE 2.088 0.220 9 0 "[ . 1]"
1 103 ALA 0.434 0.055 8 0 "[ . 1]"
1 104 TYR 0.832 0.092 9 0 "[ . 1]"
1 105 VAL 3.055 0.190 7 0 "[ . 1]"
1 106 MET 1.551 0.190 7 0 "[ . 1]"
1 107 LEU 0.626 0.070 1 0 "[ . 1]"
1 108 GLY 0.380 0.096 3 0 "[ . 1]"
1 109 ASN 0.347 0.080 5 0 "[ . 1]"
1 110 LYS 1.240 0.143 5 0 "[ . 1]"
1 111 ALA 1.120 0.229 8 0 "[ . 1]"
1 112 GLN 1.965 0.229 8 0 "[ . 1]"
1 113 THR 0.368 0.041 9 0 "[ . 1]"
1 114 VAL 0.780 0.106 6 0 "[ . 1]"
1 115 LEU 0.772 0.119 6 0 "[ . 1]"
1 116 ASN 1.160 0.136 6 0 "[ . 1]"
1 117 GLY 1.236 0.259 7 0 "[ . 1]"
1 118 ASN 0.341 0.063 5 0 "[ . 1]"
1 119 LEU 4.376 0.291 8 0 "[ . 1]"
1 120 LYS 3.696 0.291 8 0 "[ . 1]"
1 121 VAL 3.648 0.184 10 0 "[ . 1]"
1 122 ASP 2.243 0.184 10 0 "[ . 1]"
1 123 PHE 1.108 0.179 8 0 "[ . 1]"
1 124 MET 0.439 0.108 10 0 "[ . 1]"
1 125 GLU 0.419 0.088 5 0 "[ . 1]"
1 126 THR 0.290 0.066 10 0 "[ . 1]"
1 127 GLU 0.026 0.026 9 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 3 THR HA 1 3 THR MG 2.855 . 3.910 2.486 2.236 3.279 . 0 0 "[ . 1]" 1
2 1 4 LYS QB 1 4 LYS QE 2.150 . 2.500 2.088 1.944 2.579 0.079 7 0 "[ . 1]" 1
3 1 4 LYS HA 1 4 LYS QG 2.710 . 3.620 2.648 2.441 3.359 . 0 0 "[ . 1]" 1
4 1 4 LYS QB 1 4 LYS QG 2.165 . 2.530 2.055 1.995 2.102 . 0 0 "[ . 1]" 1
5 1 4 LYS HA 1 4 LYS QB 2.300 . 2.800 2.385 2.184 2.520 . 0 0 "[ . 1]" 1
6 1 4 LYS QB 1 5 ASP H 3.070 . 4.340 2.838 2.255 3.508 . 0 0 "[ . 1]" 1
7 1 4 LYS H 1 4 LYS QE 3.650 . 5.500 4.529 2.993 5.513 0.013 9 0 "[ . 1]" 1
8 1 4 LYS QG 1 5 ASP H 3.460 . 5.120 3.860 1.693 4.711 0.107 9 0 "[ . 1]" 1
9 1 4 LYS H 1 4 LYS QG 3.650 . 5.500 3.507 2.129 4.505 . 0 0 "[ . 1]" 1
10 1 4 LYS QB 1 5 ASP QB 3.275 . 4.750 4.216 3.074 4.885 0.135 4 0 "[ . 1]" 1
11 1 5 ASP HA 1 6 TYR QD 3.610 . 5.420 4.373 3.594 5.571 0.151 10 0 "[ . 1]" 1
12 1 5 ASP HA 1 6 TYR H 2.290 . 2.780 2.264 2.042 2.669 . 0 0 "[ . 1]" 1
13 1 5 ASP H 1 6 TYR H 3.305 . 4.810 4.286 4.029 4.591 . 0 0 "[ . 1]" 1
14 1 5 ASP H 1 5 ASP QB 2.695 . 3.590 2.534 2.241 3.271 . 0 0 "[ . 1]" 1
15 1 5 ASP QB 1 6 TYR H 3.095 . 4.390 3.236 2.459 3.979 . 0 0 "[ . 1]" 1
16 1 6 TYR HA 1 6 TYR QD 2.825 . 3.850 3.096 2.374 3.785 . 0 0 "[ . 1]" 1
17 1 6 TYR H 1 6 TYR QD 3.150 . 4.500 3.107 2.176 4.513 0.013 8 0 "[ . 1]" 1
18 1 6 TYR HB3 1 7 LYS H 3.140 . 4.480 4.133 3.470 4.416 . 0 0 "[ . 1]" 1
19 1 6 TYR HB2 1 7 LYS H 3.140 . 4.480 3.802 2.189 4.476 . 0 0 "[ . 1]" 1
20 1 6 TYR H 1 6 TYR HB2 2.820 . 3.840 3.163 2.512 3.873 0.033 9 0 "[ . 1]" 1
21 1 6 TYR H 1 6 TYR HB3 2.820 . 3.840 3.271 2.836 3.851 0.011 6 0 "[ . 1]" 1
22 1 6 TYR H 1 7 LYS H 3.375 . 4.950 2.826 1.883 4.220 . 0 0 "[ . 1]" 1
23 1 6 TYR H 1 6 TYR QB 2.530 . 3.260 2.715 2.466 3.042 . 0 0 "[ . 1]" 1
24 1 6 TYR HA 1 6 TYR QB 2.190 . 2.580 2.316 2.170 2.523 . 0 0 "[ . 1]" 1
25 1 6 TYR QB 1 7 LYS H 2.810 . 3.820 3.441 2.167 3.913 0.093 10 0 "[ . 1]" 1
26 1 7 LYS HA 1 7 LYS QB 2.410 . 3.020 2.370 2.206 2.464 . 0 0 "[ . 1]" 1
27 1 7 LYS QB 1 7 LYS QG 2.260 . 2.720 2.059 2.003 2.097 . 0 0 "[ . 1]" 1
28 1 7 LYS HA 1 7 LYS QG 2.475 . 3.150 2.646 2.264 3.264 0.114 3 0 "[ . 1]" 1
29 1 7 LYS HA 1 8 THR H 2.415 . 3.030 2.344 2.124 2.908 . 0 0 "[ . 1]" 1
30 1 7 LYS QB 1 8 THR H 2.815 . 3.830 3.122 1.838 3.791 . 0 0 "[ . 1]" 1
31 1 7 LYS QG 1 8 THR H 3.350 . 4.900 3.385 2.088 4.332 . 0 0 "[ . 1]" 1
32 1 7 LYS H 1 8 THR H 3.450 . 5.100 4.165 3.457 4.562 . 0 0 "[ . 1]" 1
33 1 8 THR MG 1 10 ASP HA 3.650 . 5.500 4.712 2.841 5.546 0.046 4 0 "[ . 1]" 1
34 1 8 THR HA 1 9 ARG QG 3.650 . 5.500 4.236 3.149 5.599 0.099 7 0 "[ . 1]" 1
35 1 8 THR MG 1 9 ARG H 2.695 . 3.590 1.971 1.752 2.290 0.048 4 0 "[ . 1]" 1
36 1 8 THR MG 1 9 ARG QB 2.655 . 3.510 3.584 3.514 3.681 0.171 10 0 "[ . 1]" 1
37 1 8 THR MG 1 9 ARG HA 3.190 . 4.580 4.153 3.585 4.666 0.086 8 0 "[ . 1]" 1
38 1 8 THR HA 1 8 THR MG 2.670 . 3.540 2.347 2.054 3.201 . 0 0 "[ . 1]" 1
39 1 8 THR MG 1 10 ASP H 3.650 . 5.500 4.980 3.591 5.513 0.013 8 0 "[ . 1]" 1
40 1 8 THR H 1 8 THR MG 2.910 . 4.020 3.529 2.369 3.872 . 0 0 "[ . 1]" 1
41 1 8 THR HB 1 9 ARG H 2.850 . 3.900 3.363 2.356 3.843 . 0 0 "[ . 1]" 1
42 1 8 THR H 1 9 ARG H 3.235 . 4.670 4.462 4.364 4.595 . 0 0 "[ . 1]" 1
43 1 8 THR H 1 8 THR HB 2.790 . 3.780 2.686 2.504 3.076 . 0 0 "[ . 1]" 1
44 1 8 THR HA 1 9 ARG H 2.455 . 3.110 2.518 2.031 2.825 . 0 0 "[ . 1]" 1
45 1 8 THR MG 1 9 ARG QD 3.550 . 5.300 4.671 3.082 5.408 0.108 7 0 "[ . 1]" 1
46 1 9 ARG HA 1 9 ARG QG 2.510 . 3.220 2.545 2.297 3.035 . 0 0 "[ . 1]" 1
47 1 9 ARG QB 1 9 ARG HD2 2.385 . 2.970 2.530 2.148 3.037 0.067 3 0 "[ . 1]" 1
48 1 9 ARG QB 1 9 ARG HD3 2.385 . 2.970 2.565 2.283 3.139 0.169 4 0 "[ . 1]" 1
49 1 9 ARG HA 1 10 ASP H 2.445 . 3.090 2.142 2.030 2.268 . 0 0 "[ . 1]" 1
50 1 9 ARG H 1 9 ARG QG 2.840 . 3.880 3.042 2.359 3.922 0.042 1 0 "[ . 1]" 1
51 1 9 ARG QB 1 10 ASP H 2.830 . 3.860 3.201 2.543 3.865 0.005 7 0 "[ . 1]" 1
52 1 9 ARG QG 1 10 ASP H 3.015 . 4.230 3.899 2.734 4.358 0.128 10 0 "[ . 1]" 1
53 1 9 ARG H 1 9 ARG QB 2.700 . 3.600 2.285 2.157 2.398 . 0 0 "[ . 1]" 1
54 1 9 ARG QB 1 9 ARG QD 2.190 . 2.580 2.210 2.046 2.521 . 0 0 "[ . 1]" 1
55 1 10 ASP HA 1 122 ASP HA 3.075 . 4.350 2.381 2.107 2.740 . 0 0 "[ . 1]" 1
56 1 10 ASP HA 1 11 VAL MG1 3.650 . 5.500 4.296 3.953 5.206 . 0 0 "[ . 1]" 1
57 1 10 ASP HA 1 11 VAL MG2 3.650 . 4.520 3.737 3.555 4.051 . 0 0 "[ . 1]" 1
58 1 10 ASP HA 1 122 ASP QB 3.340 . 4.880 3.689 2.364 4.068 . 0 0 "[ . 1]" 1
59 1 10 ASP HB2 1 11 VAL H 3.090 . 4.380 4.340 3.667 4.468 0.088 10 0 "[ . 1]" 1
60 1 10 ASP HB3 1 12 THR H 3.470 . 5.140 4.275 3.706 5.155 0.015 1 0 "[ . 1]" 1
61 1 10 ASP HB2 1 12 THR H 3.470 . 5.140 4.983 3.892 5.332 0.192 4 0 "[ . 1]" 1
62 1 10 ASP H 1 122 ASP HA 3.650 . 5.500 4.752 4.494 5.172 . 0 0 "[ . 1]" 1
63 1 10 ASP HB3 1 11 VAL H 3.090 . 4.380 4.029 3.614 4.390 0.010 1 0 "[ . 1]" 1
64 1 10 ASP HA 1 11 VAL H 2.595 . 3.390 2.108 2.034 2.221 . 0 0 "[ . 1]" 1
65 1 10 ASP H 1 10 ASP QB 2.285 . 2.770 2.379 2.026 2.631 . 0 0 "[ . 1]" 1
66 1 10 ASP H 1 11 VAL MG2 3.620 . 5.440 5.142 4.364 5.458 0.018 1 0 "[ . 1]" 1
67 1 10 ASP QB 1 11 VAL HA 3.505 . 5.210 4.384 4.091 4.685 . 0 0 "[ . 1]" 1
68 1 10 ASP QB 1 12 THR H 3.100 . 4.400 3.930 3.633 4.456 0.056 6 0 "[ . 1]" 1
69 1 10 ASP QB 1 12 THR MG 2.600 . 3.400 2.793 2.058 3.561 0.161 2 0 "[ . 1]" 1
70 1 10 ASP QB 1 122 ASP HA 3.225 . 4.650 4.357 3.781 4.678 0.028 7 0 "[ . 1]" 1
71 1 11 VAL MG2 1 122 ASP HA 3.280 . 3.860 3.288 2.260 3.831 . 0 0 "[ . 1]" 1
72 1 11 VAL MG1 1 122 ASP HA 3.280 . 4.760 4.488 3.768 4.788 0.028 6 0 "[ . 1]" 1
73 1 11 VAL MG1 1 123 PHE HA 3.380 . 4.960 4.682 4.390 4.993 0.033 8 0 "[ . 1]" 1
74 1 11 VAL HA 1 11 VAL MG1 2.865 . 3.930 2.314 2.265 2.528 . 0 0 "[ . 1]" 1
75 1 11 VAL MG2 1 123 PHE HB2 3.355 . 4.910 2.153 1.868 2.910 . 0 0 "[ . 1]" 1
76 1 11 VAL HA 1 11 VAL MG2 2.865 . 3.930 3.061 2.160 3.192 . 0 0 "[ . 1]" 1
77 1 11 VAL MG2 1 123 PHE HB3 3.355 . 4.910 2.563 2.087 3.058 . 0 0 "[ . 1]" 1
78 1 11 VAL MG1 1 123 PHE HB3 3.355 . 4.910 2.503 1.909 3.981 . 0 0 "[ . 1]" 1
79 1 11 VAL MG1 1 123 PHE HB2 3.355 . 4.910 3.081 2.511 4.246 . 0 0 "[ . 1]" 1
80 1 11 VAL MG2 1 123 PHE QD 3.390 . 4.320 3.626 3.337 4.141 . 0 0 "[ . 1]" 1
81 1 11 VAL HB 1 79 LEU MD1 3.650 . 5.500 3.519 2.983 4.003 . 0 0 "[ . 1]" 1
82 1 11 VAL HB 1 79 LEU MD2 3.650 . 5.500 3.971 3.374 4.821 . 0 0 "[ . 1]" 1
83 1 11 VAL MG2 1 123 PHE HA 3.380 . 3.990 3.921 3.708 4.066 0.076 8 0 "[ . 1]" 1
84 1 11 VAL H 1 122 ASP QB 3.170 . 4.540 4.422 3.421 4.646 0.106 10 0 "[ . 1]" 1
85 1 11 VAL HB 1 15 VAL H 3.650 . 5.500 3.203 2.879 5.106 . 0 0 "[ . 1]" 1
86 1 11 VAL HA 1 14 ASP H 2.795 . 3.790 3.359 2.617 3.863 0.073 3 0 "[ . 1]" 1
87 1 11 VAL MG2 1 123 PHE H 3.045 . 3.700 3.202 2.401 3.734 0.034 5 0 "[ . 1]" 1
88 1 11 VAL MG2 1 12 THR H 3.215 . 4.010 4.070 3.896 4.133 0.123 8 0 "[ . 1]" 1
89 1 11 VAL H 1 122 ASP HA 2.990 . 4.180 2.697 1.844 3.007 . 0 0 "[ . 1]" 1
90 1 11 VAL MG1 1 123 PHE H 3.045 . 4.290 3.810 3.108 4.411 0.121 6 0 "[ . 1]" 1
91 1 11 VAL MG1 1 12 THR H 3.215 . 4.630 4.013 3.330 4.315 . 0 0 "[ . 1]" 1
92 1 11 VAL H 1 123 PHE H 3.170 . 4.540 3.487 2.935 4.124 . 0 0 "[ . 1]" 1
93 1 11 VAL MG1 1 123 PHE QD 3.390 . 4.980 3.223 2.456 4.634 . 0 0 "[ . 1]" 1
94 1 11 VAL H 1 11 VAL MG2 2.690 . 3.580 2.041 1.890 2.638 . 0 0 "[ . 1]" 1
95 1 11 VAL HA 1 14 ASP QB 3.570 . 5.340 3.481 2.492 4.770 . 0 0 "[ . 1]" 1
96 1 11 VAL HA 1 15 VAL QG 3.620 . 5.440 4.005 3.698 4.565 . 0 0 "[ . 1]" 1
97 1 11 VAL HB 1 15 VAL QG 3.620 . 5.440 2.214 1.894 3.672 . 0 0 "[ . 1]" 1
98 1 11 VAL HB 1 121 VAL MG2 3.620 . 5.440 3.895 2.077 4.639 . 0 0 "[ . 1]" 1
99 1 11 VAL MG2 1 14 ASP H 3.305 . 4.810 4.841 4.280 4.966 0.156 7 0 "[ . 1]" 1
100 1 11 VAL MG2 1 15 VAL H 3.000 . 4.200 4.068 3.809 4.382 0.182 6 0 "[ . 1]" 1
101 1 11 VAL MG2 1 15 VAL HB 3.620 . 5.440 3.972 3.641 5.442 0.002 6 0 "[ . 1]" 1
102 1 11 VAL MG1 1 15 VAL QG 2.525 . 3.250 3.232 1.795 3.482 0.232 3 0 "[ . 1]" 1
103 1 11 VAL MG1 1 79 LEU MD1 2.660 . 3.520 2.760 2.050 3.400 . 0 0 "[ . 1]" 1
104 1 11 VAL MG2 1 121 VAL HB 3.620 . 5.440 4.357 3.930 5.569 0.129 6 0 "[ . 1]" 1
105 1 11 VAL MG2 1 123 PHE QB 2.600 . 3.400 2.020 1.824 2.448 . 0 0 "[ . 1]" 1
106 1 12 THR MG 1 120 LYS HA 2.660 . 3.520 1.871 1.751 2.361 0.049 1 0 "[ . 1]" 1
107 1 12 THR MG 1 119 LEU MD2 3.300 . 4.800 3.745 2.930 4.855 0.055 3 0 "[ . 1]" 1
108 1 12 THR HB 1 15 VAL HB 3.075 . 4.350 4.469 4.243 4.579 0.229 10 0 "[ . 1]" 1
109 1 12 THR HA 1 12 THR MG 2.765 . 3.730 2.441 2.173 3.131 . 0 0 "[ . 1]" 1
110 1 12 THR MG 1 119 LEU MD1 3.300 . 4.800 3.864 3.583 4.362 . 0 0 "[ . 1]" 1
111 1 12 THR MG 1 120 LYS HB2 2.100 . 2.400 2.377 2.232 2.454 0.054 4 0 "[ . 1]" 1
112 1 12 THR HB 1 15 VAL H 3.650 . 5.500 5.456 5.342 5.584 0.084 3 0 "[ . 1]" 1
113 1 12 THR HB 1 120 LYS H 3.650 . 5.500 5.419 4.769 5.607 0.107 6 0 "[ . 1]" 1
114 1 12 THR HA 1 14 ASP H 3.650 . 5.500 4.179 3.916 4.336 . 0 0 "[ . 1]" 1
115 1 12 THR MG 1 15 VAL HB 3.355 . 4.910 4.448 3.912 4.946 0.036 3 0 "[ . 1]" 1
116 1 12 THR MG 1 120 LYS HB3 2.100 . 2.400 2.194 1.837 2.394 . 0 0 "[ . 1]" 1
117 1 12 THR MG 1 120 LYS H 3.650 . 5.500 4.206 4.088 4.515 . 0 0 "[ . 1]" 1
118 1 12 THR MG 1 119 LEU H 3.650 . 5.500 5.031 4.826 5.235 . 0 0 "[ . 1]" 1
119 1 12 THR MG 1 16 LYS QE 3.650 . 5.500 5.121 3.962 5.562 0.062 10 0 "[ . 1]" 1
120 1 12 THR H 1 12 THR MG 2.945 . 4.090 2.361 1.799 2.618 0.001 7 0 "[ . 1]" 1
121 1 12 THR MG 1 13 ASP H 2.985 . 4.170 3.467 2.113 3.962 . 0 0 "[ . 1]" 1
122 1 12 THR MG 1 14 ASP H 3.650 . 5.500 4.904 4.020 5.159 . 0 0 "[ . 1]" 1
123 1 12 THR HB 1 14 ASP H 3.650 . 5.500 5.497 5.245 5.616 0.116 3 0 "[ . 1]" 1
124 1 12 THR H 1 12 THR HG1 3.050 . 4.300 2.909 2.348 4.443 0.143 7 0 "[ . 1]" 1
125 1 12 THR HB 1 121 VAL H 3.395 . 4.990 4.058 1.775 4.669 0.025 7 0 "[ . 1]" 1
126 1 12 THR MG 1 121 VAL H 2.720 . 3.640 2.434 2.164 2.764 . 0 0 "[ . 1]" 1
127 1 12 THR MG 1 16 LYS H 3.650 . 5.500 5.450 5.175 5.621 0.121 6 0 "[ . 1]" 1
128 1 12 THR H 1 15 VAL H 3.540 . 5.280 4.201 3.943 4.612 . 0 0 "[ . 1]" 1
129 1 12 THR H 1 12 THR HB 2.960 . 4.120 3.685 3.064 3.838 . 0 0 "[ . 1]" 1
130 1 12 THR HB 1 13 ASP H 3.400 . 5.000 3.880 3.532 4.212 . 0 0 "[ . 1]" 1
131 1 12 THR H 1 120 LYS QB 3.570 . 5.340 5.223 4.685 5.432 0.092 5 0 "[ . 1]" 1
132 1 12 THR HA 1 121 VAL MG2 3.585 . 5.370 3.740 2.996 4.486 . 0 0 "[ . 1]" 1
133 1 12 THR HB 1 15 VAL QG 3.375 . 4.950 4.634 4.280 4.766 . 0 0 "[ . 1]" 1
134 1 12 THR HB 1 120 LYS QB 3.180 . 4.560 3.728 3.494 4.001 . 0 0 "[ . 1]" 1
135 1 12 THR HB 1 121 VAL MG2 3.620 . 5.440 4.990 2.953 5.483 0.043 1 0 "[ . 1]" 1
136 1 12 THR MG 1 15 VAL QG 3.105 . 4.410 4.203 3.814 4.630 0.220 7 0 "[ . 1]" 1
137 1 12 THR MG 1 121 VAL MG2 2.845 . 3.890 3.688 3.346 3.961 0.071 3 0 "[ . 1]" 1
138 1 13 ASP HA 1 16 LYS HB3 2.965 . 4.130 2.519 1.899 3.306 . 0 0 "[ . 1]" 1
139 1 13 ASP HA 1 16 LYS HB2 2.965 . 4.130 2.774 1.858 4.068 . 0 0 "[ . 1]" 1
140 1 13 ASP HA 1 16 LYS H 2.795 . 3.790 2.990 2.358 3.704 . 0 0 "[ . 1]" 1
141 1 13 ASP QB 1 15 VAL H 3.650 . 5.500 5.080 4.870 5.479 . 0 0 "[ . 1]" 1
142 1 13 ASP H 1 14 ASP H 2.750 . 3.700 2.361 2.158 2.481 . 0 0 "[ . 1]" 1
143 1 13 ASP QB 1 14 ASP H 2.585 . 3.370 3.335 3.208 3.430 0.060 3 0 "[ . 1]" 1
144 1 13 ASP H 1 13 ASP QB 2.540 . 3.280 2.455 2.312 2.581 . 0 0 "[ . 1]" 1
145 1 13 ASP HA 1 16 LYS QB 2.565 . 3.330 2.259 1.751 3.018 0.049 3 0 "[ . 1]" 1
146 1 14 ASP HA 1 17 SER H 3.360 . 4.920 3.553 3.176 4.016 . 0 0 "[ . 1]" 1
147 1 14 ASP H 1 14 ASP HA 2.350 . 2.900 2.865 2.823 2.911 0.011 3 0 "[ . 1]" 1
148 1 14 ASP HB3 1 18 ILE MD 3.650 . 5.500 4.333 3.916 5.558 0.058 3 0 "[ . 1]" 1
149 1 14 ASP HB2 1 18 ILE MD 3.650 . 5.500 4.894 3.896 5.594 0.094 9 0 "[ . 1]" 1
150 1 14 ASP H 1 14 ASP HB2 2.795 . 3.790 2.708 2.307 3.649 . 0 0 "[ . 1]" 1
151 1 14 ASP H 1 14 ASP HB3 2.795 . 3.790 2.959 2.430 3.593 . 0 0 "[ . 1]" 1
152 1 14 ASP H 1 15 VAL H 2.720 . 3.640 2.400 2.076 2.703 . 0 0 "[ . 1]" 1
153 1 14 ASP H 1 15 VAL HB 3.390 . 4.980 4.366 3.951 4.705 . 0 0 "[ . 1]" 1
154 1 14 ASP H 1 15 VAL QG 3.030 . 4.260 3.971 3.412 4.263 0.003 6 0 "[ . 1]" 1
155 1 14 ASP H 1 16 LYS QB 3.565 . 5.330 4.577 4.128 4.950 . 0 0 "[ . 1]" 1
156 1 14 ASP QB 1 15 VAL H 2.530 . 3.260 2.356 1.976 3.279 0.019 3 0 "[ . 1]" 1
157 1 14 ASP HB3 1 79 LEU MD1 4.000 . 6.000 4.241 3.413 5.610 . 0 0 "[ . 1]" 1
158 1 14 ASP HB2 1 79 LEU MD1 4.000 . 6.000 4.725 3.317 6.067 0.067 8 0 "[ . 1]" 1
159 1 15 VAL HA 1 18 ILE HB 2.920 . 4.040 2.434 2.040 2.866 . 0 0 "[ . 1]" 1
160 1 15 VAL HA 1 18 ILE MG 2.945 . 4.090 3.709 3.285 4.096 0.006 10 0 "[ . 1]" 1
161 1 15 VAL HA 1 18 ILE MD 2.900 . 4.000 2.146 1.931 2.528 . 0 0 "[ . 1]" 1
162 1 15 VAL H 1 16 LYS HA 3.650 . 5.500 5.273 5.156 5.436 . 0 0 "[ . 1]" 1
163 1 15 VAL HA 1 19 VAL H 3.295 . 4.790 4.075 3.910 4.279 . 0 0 "[ . 1]" 1
164 1 15 VAL HA 1 79 LEU MD1 3.650 . 5.500 4.705 4.272 5.328 . 0 0 "[ . 1]" 1
165 1 15 VAL HA 1 79 LEU MD2 3.650 . 5.500 4.263 3.591 5.494 . 0 0 "[ . 1]" 1
166 1 15 VAL H 1 15 VAL HB 2.720 . 3.640 2.395 2.179 2.480 . 0 0 "[ . 1]" 1
167 1 15 VAL HB 1 16 LYS H 2.860 . 3.920 2.877 2.604 3.278 . 0 0 "[ . 1]" 1
168 1 15 VAL H 1 16 LYS H 2.850 . 3.900 2.670 2.530 2.826 . 0 0 "[ . 1]" 1
169 1 15 VAL H 1 17 SER H 3.415 . 5.030 4.164 3.990 4.351 . 0 0 "[ . 1]" 1
170 1 15 VAL HA 1 18 ILE H 2.955 . 4.110 3.263 2.779 3.669 . 0 0 "[ . 1]" 1
171 1 15 VAL H 1 18 ILE H 3.650 . 5.500 4.697 4.397 4.870 . 0 0 "[ . 1]" 1
172 1 15 VAL H 1 18 ILE MD 3.650 . 5.500 4.195 3.994 4.648 . 0 0 "[ . 1]" 1
173 1 15 VAL H 1 15 VAL QG 2.530 . 3.260 2.238 1.993 2.422 . 0 0 "[ . 1]" 1
174 1 15 VAL H 1 79 LEU MD1 3.650 . 5.500 4.979 4.564 5.540 0.040 8 0 "[ . 1]" 1
175 1 15 VAL HA 1 18 ILE QG 3.570 . 5.340 3.030 2.741 3.525 . 0 0 "[ . 1]" 1
176 1 15 VAL HA 1 83 LEU MD1 3.620 . 5.440 4.045 3.614 5.201 . 0 0 "[ . 1]" 1
177 1 15 VAL HB 1 79 LEU MD1 3.650 . 5.500 5.553 5.511 5.591 0.091 4 0 "[ . 1]" 1
178 1 15 VAL HB 1 121 VAL MG2 3.005 . 4.210 3.768 3.058 4.206 . 0 0 "[ . 1]" 1
179 1 15 VAL QG 1 16 LYS H 2.980 . 4.160 3.235 2.980 3.509 . 0 0 "[ . 1]" 1
180 1 15 VAL QG 1 18 ILE MD 3.035 . 4.270 2.559 1.921 3.140 . 0 0 "[ . 1]" 1
181 1 15 VAL QG 1 79 LEU MD1 2.745 . 3.690 2.973 2.787 3.184 . 0 0 "[ . 1]" 1
182 1 15 VAL QG 1 83 LEU MD1 2.690 . 3.580 2.323 1.999 2.784 . 0 0 "[ . 1]" 1
183 1 16 LYS QD 1 16 LYS QE 2.325 . 2.850 2.050 1.978 2.105 . 0 0 "[ . 1]" 1
184 1 16 LYS HA 1 19 VAL HB 2.595 . 3.390 2.528 2.120 2.984 . 0 0 "[ . 1]" 1
185 1 16 LYS HA 1 20 ARG H 3.650 . 5.500 3.958 3.658 4.654 . 0 0 "[ . 1]" 1
186 1 16 LYS HA 1 16 LYS QD 2.845 . 3.890 2.916 2.060 4.049 0.159 7 0 "[ . 1]" 1
187 1 16 LYS HA 1 16 LYS QE 3.650 . 5.500 3.044 2.541 3.659 . 0 0 "[ . 1]" 1
188 1 16 LYS HA 1 19 VAL H 3.020 . 4.240 3.256 2.906 3.479 . 0 0 "[ . 1]" 1
189 1 16 LYS H 1 16 LYS QG 2.995 . 4.190 4.024 3.913 4.089 . 0 0 "[ . 1]" 1
190 1 16 LYS H 1 16 LYS HB2 2.640 . 3.480 2.387 2.203 2.572 . 0 0 "[ . 1]" 1
191 1 16 LYS H 1 17 SER H 2.850 . 3.900 2.650 2.481 2.860 . 0 0 "[ . 1]" 1
192 1 16 LYS HB2 1 17 SER H 2.840 . 3.880 3.748 3.463 3.933 0.053 1 0 "[ . 1]" 1
193 1 16 LYS HB3 1 17 SER H 2.840 . 3.880 2.606 2.348 2.905 . 0 0 "[ . 1]" 1
194 1 16 LYS QG 1 17 SER H 3.580 . 5.360 3.856 3.724 4.414 . 0 0 "[ . 1]" 1
195 1 16 LYS H 1 16 LYS HB3 2.640 . 3.480 2.662 2.517 3.088 . 0 0 "[ . 1]" 1
196 1 16 LYS H 1 16 LYS QB 2.355 . 2.910 2.209 2.112 2.280 . 0 0 "[ . 1]" 1
197 1 16 LYS H 1 19 VAL MG2 3.260 . 4.720 4.485 4.135 4.762 0.042 8 0 "[ . 1]" 1
198 1 16 LYS HA 1 19 VAL MG2 2.525 . 3.250 2.911 2.288 3.317 0.067 2 0 "[ . 1]" 1
199 1 16 LYS QB 1 16 LYS QE 3.315 . 4.830 1.960 1.782 2.093 0.018 7 0 "[ . 1]" 1
200 1 16 LYS QE 1 19 VAL MG2 3.035 . 4.270 4.363 4.289 4.464 0.194 7 0 "[ . 1]" 1
201 1 17 SER H 1 18 ILE H 2.815 . 3.830 2.675 2.523 2.780 . 0 0 "[ . 1]" 1
202 1 17 SER H 1 17 SER QB 2.590 . 3.380 2.397 2.157 2.693 . 0 0 "[ . 1]" 1
203 1 17 SER HA 1 20 ARG H 3.245 . 4.690 3.421 3.196 3.591 . 0 0 "[ . 1]" 1
204 1 17 SER H 1 19 VAL H 3.260 . 4.720 4.183 3.947 4.413 . 0 0 "[ . 1]" 1
205 1 17 SER H 1 20 ARG H 3.650 . 5.500 4.678 4.576 5.036 . 0 0 "[ . 1]" 1
206 1 17 SER QB 1 18 ILE H 3.120 . 4.440 2.681 2.426 3.554 . 0 0 "[ . 1]" 1
207 1 17 SER HA 1 21 PHE H 3.650 . 5.500 4.240 3.933 4.557 . 0 0 "[ . 1]" 1
208 1 18 ILE MD 1 79 LEU MD1 3.500 . 4.300 3.146 2.731 3.742 . 0 0 "[ . 1]" 1
209 1 18 ILE HA 1 18 ILE MG 2.730 . 3.660 2.573 2.409 2.686 . 0 0 "[ . 1]" 1
210 1 18 ILE MG 1 19 VAL MG1 3.170 . 4.540 4.581 4.479 4.619 0.079 9 0 "[ . 1]" 1
211 1 18 ILE HA 1 21 PHE H 3.590 . 5.380 3.682 3.353 3.962 . 0 0 "[ . 1]" 1
212 1 18 ILE MD 1 19 VAL H 3.400 . 5.000 4.496 4.355 4.782 . 0 0 "[ . 1]" 1
213 1 18 ILE MD 1 52 PHE QE 3.250 . 4.700 3.260 2.805 4.328 . 0 0 "[ . 1]" 1
214 1 18 ILE MD 1 80 PHE QE 3.505 . 5.210 2.964 2.501 3.789 . 0 0 "[ . 1]" 1
215 1 18 ILE HB 1 18 ILE MD 2.815 . 3.830 2.458 2.433 2.488 . 0 0 "[ . 1]" 1
216 1 18 ILE MG 1 80 PHE HZ 3.650 . 5.500 3.385 2.499 4.356 . 0 0 "[ . 1]" 1
217 1 18 ILE HB 1 19 VAL HA 3.465 . 5.130 4.393 4.275 4.579 . 0 0 "[ . 1]" 1
218 1 18 ILE MD 1 52 PHE QD 3.650 . 5.500 4.008 3.225 4.659 . 0 0 "[ . 1]" 1
219 1 18 ILE MD 1 83 LEU HG 3.650 . 5.500 4.968 4.194 5.530 0.030 3 0 "[ . 1]" 1
220 1 18 ILE MG 1 79 LEU MD1 3.650 . 5.500 5.284 4.840 5.593 0.093 7 0 "[ . 1]" 1
221 1 18 ILE MG 1 79 LEU MD2 3.650 . 5.500 4.568 3.955 5.202 . 0 0 "[ . 1]" 1
222 1 18 ILE MG 1 19 VAL MG2 3.170 . 3.700 3.004 2.892 3.084 . 0 0 "[ . 1]" 1
223 1 18 ILE HG12 1 80 PHE HZ 3.650 . 5.500 3.546 2.666 4.021 . 0 0 "[ . 1]" 1
224 1 18 ILE HA 1 52 PHE QD 3.650 . 5.500 4.828 4.309 5.319 . 0 0 "[ . 1]" 1
225 1 18 ILE MG 1 21 PHE QB 3.105 . 4.410 4.187 3.675 4.542 0.132 10 0 "[ . 1]" 1
226 1 18 ILE MG 1 19 VAL HB 3.185 . 4.570 4.643 4.617 4.673 0.103 9 0 "[ . 1]" 1
227 1 18 ILE MG 1 19 VAL HA 2.945 . 4.090 3.033 2.982 3.119 . 0 0 "[ . 1]" 1
228 1 18 ILE HA 1 18 ILE MD 3.165 . 4.530 3.821 3.782 3.860 . 0 0 "[ . 1]" 1
229 1 18 ILE MD 1 79 LEU MD2 3.500 . 5.200 2.992 2.095 3.699 . 0 0 "[ . 1]" 1
230 1 18 ILE MD 1 18 ILE MG 2.380 . 2.960 1.965 1.910 2.026 . 0 0 "[ . 1]" 1
231 1 18 ILE HA 1 64 ILE MD 2.730 . 3.660 2.433 1.991 3.019 . 0 0 "[ . 1]" 1
232 1 18 ILE MG 1 19 VAL H 2.870 . 3.940 2.881 2.764 2.973 . 0 0 "[ . 1]" 1
233 1 18 ILE H 1 18 ILE MG 2.755 . 3.710 3.706 3.641 3.734 0.024 5 0 "[ . 1]" 1
234 1 18 ILE H 1 19 VAL HB 3.395 . 4.990 4.864 4.687 5.001 0.011 2 0 "[ . 1]" 1
235 1 18 ILE H 1 19 VAL H 2.910 . 4.020 2.796 2.651 2.865 . 0 0 "[ . 1]" 1
236 1 18 ILE H 1 18 ILE HB 2.590 . 3.380 2.367 2.221 2.455 . 0 0 "[ . 1]" 1
237 1 18 ILE HB 1 19 VAL H 2.750 . 3.700 2.421 2.273 2.751 . 0 0 "[ . 1]" 1
238 1 18 ILE MG 1 22 VAL H 3.250 . 4.700 3.953 3.587 4.232 . 0 0 "[ . 1]" 1
239 1 18 ILE H 1 18 ILE MD 3.030 . 4.260 3.625 3.545 3.712 . 0 0 "[ . 1]" 1
240 1 18 ILE MG 1 20 ARG H 3.430 . 5.060 4.812 4.762 4.896 . 0 0 "[ . 1]" 1
241 1 18 ILE H 1 20 ARG H 3.650 . 5.500 4.225 4.084 4.496 . 0 0 "[ . 1]" 1
242 1 18 ILE MD 1 80 PHE HZ 3.095 . 4.390 2.995 2.410 3.898 . 0 0 "[ . 1]" 1
243 1 18 ILE HG13 1 80 PHE HZ 3.650 . 5.500 5.036 4.294 5.512 0.012 8 0 "[ . 1]" 1
244 1 18 ILE H 1 18 ILE QG 3.085 . 4.370 2.277 2.127 2.449 . 0 0 "[ . 1]" 1
245 1 18 ILE H 1 19 VAL MG2 3.215 . 4.630 4.298 4.139 4.457 . 0 0 "[ . 1]" 1
246 1 18 ILE MG 1 22 VAL MG2 3.225 . 4.650 2.876 2.682 3.032 . 0 0 "[ . 1]" 1
247 1 18 ILE QG 1 19 VAL H 3.500 . 5.200 4.075 3.978 4.282 . 0 0 "[ . 1]" 1
248 1 18 ILE QG 1 52 PHE QD 3.230 . 4.660 3.457 2.906 4.142 . 0 0 "[ . 1]" 1
249 1 18 ILE QG 1 64 ILE MD 2.850 . 3.900 2.577 2.142 2.903 . 0 0 "[ . 1]" 1
250 1 18 ILE MD 1 22 VAL MG2 3.620 . 5.440 5.391 5.212 5.494 0.054 7 0 "[ . 1]" 1
251 1 18 ILE MD 1 83 LEU MD1 3.025 . 4.250 3.052 2.171 3.655 . 0 0 "[ . 1]" 1
252 1 18 ILE HA 1 22 VAL H 3.650 . 5.500 4.188 3.863 4.493 . 0 0 "[ . 1]" 1
253 1 19 VAL HA 1 22 VAL H 3.095 . 4.390 3.434 3.258 3.625 . 0 0 "[ . 1]" 1
254 1 19 VAL HA 1 20 ARG QB 3.610 . 5.420 5.240 5.089 5.437 0.017 4 0 "[ . 1]" 1
255 1 19 VAL H 1 19 VAL HB 2.670 . 3.540 2.456 2.407 2.515 . 0 0 "[ . 1]" 1
256 1 19 VAL H 1 20 ARG H 2.805 . 3.810 2.783 2.656 2.839 . 0 0 "[ . 1]" 1
257 1 19 VAL HA 1 23 GLN H 3.615 . 5.430 3.696 3.594 3.813 . 0 0 "[ . 1]" 1
258 1 19 VAL HB 1 20 ARG H 2.785 . 3.770 2.611 2.372 2.779 . 0 0 "[ . 1]" 1
259 1 19 VAL H 1 21 PHE H 3.360 . 4.920 4.259 4.030 4.435 . 0 0 "[ . 1]" 1
260 1 19 VAL H 1 20 ARG HA 3.650 . 5.500 5.364 5.251 5.436 . 0 0 "[ . 1]" 1
261 1 19 VAL H 1 19 VAL MG2 2.370 . 2.940 2.096 2.040 2.235 . 0 0 "[ . 1]" 1
262 1 19 VAL HA 1 22 VAL MG2 2.805 . 3.810 1.946 1.841 2.126 . 0 0 "[ . 1]" 1
263 1 19 VAL MG2 1 20 ARG H 2.885 . 3.970 3.850 3.715 3.960 . 0 0 "[ . 1]" 1
264 1 19 VAL MG2 1 20 ARG HA 3.650 . 5.500 5.375 5.306 5.476 . 0 0 "[ . 1]" 1
265 1 19 VAL MG2 1 21 PHE H 3.620 . 5.440 5.377 5.242 5.493 0.053 1 0 "[ . 1]" 1
266 1 19 VAL MG2 1 23 GLN H 3.415 . 5.030 5.194 5.148 5.247 0.217 7 0 "[ . 1]" 1
267 1 20 ARG QG 1 21 PHE HA 3.650 . 5.500 3.817 2.952 5.586 0.086 4 0 "[ . 1]" 1
268 1 20 ARG QB 1 20 ARG QD 2.725 . 3.650 2.250 2.133 2.418 . 0 0 "[ . 1]" 1
269 1 20 ARG HA 1 23 GLN HB3 3.070 . 4.340 3.452 2.561 4.371 0.031 3 0 "[ . 1]" 1
270 1 20 ARG QB 1 21 PHE QD 3.650 . 5.500 3.843 3.066 5.343 . 0 0 "[ . 1]" 1
271 1 20 ARG HA 1 23 GLN H 3.245 . 4.690 3.823 3.548 4.071 . 0 0 "[ . 1]" 1
272 1 20 ARG H 1 20 ARG QB 2.230 . 2.660 2.304 2.150 2.503 . 0 0 "[ . 1]" 1
273 1 20 ARG HA 1 20 ARG QD 3.250 . 4.700 3.802 2.186 4.154 . 0 0 "[ . 1]" 1
274 1 20 ARG HA 1 23 GLN HB2 3.070 . 4.340 3.376 2.528 3.991 . 0 0 "[ . 1]" 1
275 1 20 ARG QD 1 20 ARG QG 2.100 . 2.400 2.055 1.998 2.107 . 0 0 "[ . 1]" 1
276 1 20 ARG QB 1 21 PHE H 2.630 . 3.460 2.500 2.231 2.844 . 0 0 "[ . 1]" 1
277 1 20 ARG QB 1 22 VAL H 3.500 . 5.200 4.811 4.630 4.943 . 0 0 "[ . 1]" 1
278 1 20 ARG H 1 21 PHE HA 3.630 . 5.460 5.321 5.223 5.400 . 0 0 "[ . 1]" 1
279 1 20 ARG H 1 21 PHE H 2.845 . 3.890 2.771 2.664 2.883 . 0 0 "[ . 1]" 1
280 1 20 ARG HA 1 23 GLN QB 2.705 . 3.610 2.772 2.505 3.036 . 0 0 "[ . 1]" 1
281 1 21 PHE QD 1 64 ILE MD 3.115 . 4.430 3.751 2.762 4.460 0.030 5 0 "[ . 1]" 1
282 1 21 PHE QE 1 64 ILE MG 2.820 . 3.840 3.225 2.426 3.979 0.139 8 0 "[ . 1]" 1
283 1 21 PHE QD 1 64 ILE MG 2.705 . 3.610 2.437 1.872 3.511 . 0 0 "[ . 1]" 1
284 1 21 PHE H 1 64 ILE MG 3.650 . 5.500 4.449 3.689 5.503 0.003 9 0 "[ . 1]" 1
285 1 21 PHE HA 1 21 PHE QD 2.995 . 4.190 2.488 2.065 2.882 . 0 0 "[ . 1]" 1
286 1 21 PHE QD 1 22 VAL HA 3.650 . 5.500 5.159 3.371 5.614 0.114 6 0 "[ . 1]" 1
287 1 21 PHE QD 1 63 GLY HA2 3.490 . 5.180 3.283 2.028 5.213 0.033 8 0 "[ . 1]" 1
288 1 21 PHE QD 1 63 GLY HA3 3.490 . 5.180 3.311 2.162 4.243 . 0 0 "[ . 1]" 1
289 1 21 PHE QE 1 63 GLY HA2 3.650 . 5.500 3.829 2.345 5.508 0.008 9 0 "[ . 1]" 1
290 1 21 PHE QE 1 63 GLY HA3 3.650 . 5.500 4.004 2.338 5.307 . 0 0 "[ . 1]" 1
291 1 21 PHE QB 1 64 ILE MG 3.430 . 5.060 2.674 1.959 3.643 . 0 0 "[ . 1]" 1
292 1 21 PHE HA 1 64 ILE MG 3.650 . 5.500 4.879 4.102 5.621 0.121 7 0 "[ . 1]" 1
293 1 21 PHE QB 1 64 ILE MD 2.955 . 4.110 2.908 1.945 3.589 . 0 0 "[ . 1]" 1
294 1 21 PHE QE 1 64 ILE HB 3.650 . 5.500 4.940 3.308 5.596 0.096 4 0 "[ . 1]" 1
295 1 21 PHE QD 1 22 VAL H 3.285 . 4.770 4.246 3.168 4.546 . 0 0 "[ . 1]" 1
296 1 21 PHE HA 1 24 GLU H 3.165 . 4.530 3.360 2.835 3.951 . 0 0 "[ . 1]" 1
297 1 21 PHE H 1 21 PHE QD 3.025 . 4.250 3.057 2.500 4.182 . 0 0 "[ . 1]" 1
298 1 21 PHE H 1 22 VAL H 2.920 . 4.040 2.676 2.406 2.982 . 0 0 "[ . 1]" 1
299 1 21 PHE H 1 23 GLN H 3.510 . 5.220 4.037 3.731 4.267 . 0 0 "[ . 1]" 1
300 1 21 PHE QB 1 23 GLN H 3.260 . 4.720 4.707 4.582 4.780 0.060 3 0 "[ . 1]" 1
301 1 21 PHE QE 1 64 ILE H 3.390 . 4.980 3.997 3.252 5.041 0.061 7 0 "[ . 1]" 1
302 1 21 PHE H 1 21 PHE QB 2.515 . 3.230 2.300 2.196 2.358 . 0 0 "[ . 1]" 1
303 1 21 PHE QB 1 22 VAL H 2.785 . 3.770 2.711 2.264 2.999 . 0 0 "[ . 1]" 1
304 1 21 PHE H 1 22 VAL MG2 3.620 . 5.440 3.891 3.608 4.138 . 0 0 "[ . 1]" 1
305 1 21 PHE HA 1 24 GLU QB 3.255 . 4.710 4.067 3.106 4.727 0.017 7 0 "[ . 1]" 1
306 1 21 PHE HA 1 24 GLU QG 2.510 . 3.220 2.082 1.862 2.624 . 0 0 "[ . 1]" 1
307 1 21 PHE HA 1 64 ILE QG 3.570 . 5.340 5.074 3.928 5.441 0.101 8 0 "[ . 1]" 1
308 1 21 PHE QB 1 64 ILE QG 3.360 . 4.920 2.615 1.827 3.298 . 0 0 "[ . 1]" 1
309 1 21 PHE QD 1 22 VAL MG2 3.585 . 5.370 5.226 4.137 5.488 0.118 10 0 "[ . 1]" 1
310 1 21 PHE QD 1 63 GLY QA 3.175 . 4.550 2.698 2.016 4.066 . 0 0 "[ . 1]" 1
311 1 21 PHE QE 1 63 GLY QA 3.255 . 4.710 3.164 2.304 3.880 . 0 0 "[ . 1]" 1
312 1 22 VAL HA 1 22 VAL MG2 2.705 . 3.610 3.177 3.148 3.207 . 0 0 "[ . 1]" 1
313 1 22 VAL HA 1 22 VAL MG1 2.705 . 3.610 2.320 2.299 2.331 . 0 0 "[ . 1]" 1
314 1 22 VAL HA 1 25 HIS HD2 3.650 . 5.500 5.011 4.481 5.531 0.031 10 0 "[ . 1]" 1
315 1 22 VAL H 1 22 VAL MG1 2.825 . 3.850 2.401 2.325 2.469 . 0 0 "[ . 1]" 1
316 1 22 VAL H 1 22 VAL MG2 2.825 . 3.280 1.964 1.876 2.041 . 0 0 "[ . 1]" 1
317 1 22 VAL HA 1 25 HIS H 3.100 . 4.400 3.269 3.116 3.393 . 0 0 "[ . 1]" 1
318 1 22 VAL H 1 22 VAL HB 2.710 . 3.620 3.665 3.653 3.672 0.052 4 0 "[ . 1]" 1
319 1 22 VAL H 1 23 GLN QB 3.415 . 5.030 4.350 4.120 4.523 . 0 0 "[ . 1]" 1
320 1 22 VAL HA 1 24 GLU QG 3.570 . 5.340 4.759 4.102 5.355 0.015 10 0 "[ . 1]" 1
321 1 22 VAL HA 1 25 HIS QB 3.570 . 5.340 2.446 2.129 3.202 . 0 0 "[ . 1]" 1
322 1 22 VAL MG2 1 23 GLN H 2.530 . 3.260 2.237 2.108 2.310 . 0 0 "[ . 1]" 1
323 1 22 VAL MG2 1 23 GLN HA 2.735 . 3.670 3.527 3.406 3.650 . 0 0 "[ . 1]" 1
324 1 22 VAL MG2 1 23 GLN QB 3.005 . 4.210 3.510 3.174 3.975 . 0 0 "[ . 1]" 1
325 1 22 VAL MG2 1 24 GLU H 3.230 . 4.660 4.610 4.521 4.672 0.012 9 0 "[ . 1]" 1
326 1 22 VAL MG2 1 25 HIS H 3.320 . 4.840 4.905 4.848 4.943 0.103 4 0 "[ . 1]" 1
327 1 23 GLN HA 1 23 GLN HG3 3.020 . 4.240 3.124 2.593 3.734 . 0 0 "[ . 1]" 1
328 1 23 GLN HA 1 26 SER H 3.650 . 5.500 4.243 3.378 5.387 . 0 0 "[ . 1]" 1
329 1 23 GLN HA 1 23 GLN HG2 3.020 . 4.240 3.168 2.492 3.789 . 0 0 "[ . 1]" 1
330 1 23 GLN H 1 24 GLU HA 3.650 . 5.500 5.370 5.311 5.441 . 0 0 "[ . 1]" 1
331 1 23 GLN H 1 23 GLN HB2 2.635 . 3.470 2.429 2.279 2.549 . 0 0 "[ . 1]" 1
332 1 23 GLN H 1 24 GLU H 2.915 . 4.030 2.869 2.789 2.947 . 0 0 "[ . 1]" 1
333 1 23 GLN HB2 1 24 GLU H 2.975 . 4.150 3.346 2.412 3.912 . 0 0 "[ . 1]" 1
334 1 23 GLN H 1 25 HIS H 3.245 . 4.690 3.931 3.774 4.122 . 0 0 "[ . 1]" 1
335 1 23 GLN H 1 23 GLN HB3 2.635 . 3.470 2.960 2.494 3.559 0.089 4 0 "[ . 1]" 1
336 1 23 GLN HB3 1 24 GLU H 2.975 . 4.150 2.853 2.407 3.671 . 0 0 "[ . 1]" 1
337 1 23 GLN HA 1 25 HIS H 3.015 . 4.230 4.046 3.818 4.271 0.041 7 0 "[ . 1]" 1
338 1 23 GLN H 1 23 GLN QB 2.375 . 2.950 2.275 2.220 2.379 . 0 0 "[ . 1]" 1
339 1 23 GLN H 1 24 GLU QG 3.395 . 4.990 4.357 4.007 4.646 . 0 0 "[ . 1]" 1
340 1 23 GLN HA 1 23 GLN QG 2.625 . 3.450 2.706 2.336 2.986 . 0 0 "[ . 1]" 1
341 1 23 GLN HA 1 23 GLN QE 2.935 . 4.070 3.860 3.499 4.222 0.152 10 0 "[ . 1]" 1
342 1 23 GLN QB 1 24 GLU H 2.605 . 3.410 2.483 2.348 2.731 . 0 0 "[ . 1]" 1
343 1 23 GLN QB 1 24 GLU HA 3.455 . 5.110 4.030 3.789 4.263 . 0 0 "[ . 1]" 1
344 1 23 GLN QE 1 23 GLN QG 2.410 . 3.020 2.157 2.035 2.200 . 0 0 "[ . 1]" 1
345 1 24 GLU H 1 25 HIS H 2.835 . 3.870 2.564 2.482 2.688 . 0 0 "[ . 1]" 1
346 1 24 GLU H 1 24 GLU HG3 2.850 . 3.900 2.992 2.093 3.570 . 0 0 "[ . 1]" 1
347 1 24 GLU H 1 24 GLU HG2 2.850 . 3.900 2.681 2.061 3.891 . 0 0 "[ . 1]" 1
348 1 24 GLU H 1 24 GLU QB 2.515 . 3.230 2.678 2.513 2.840 . 0 0 "[ . 1]" 1
349 1 24 GLU H 1 24 GLU QG 2.570 . 3.340 2.210 2.046 2.535 . 0 0 "[ . 1]" 1
350 1 24 GLU HA 1 24 GLU QB 2.195 . 2.590 2.179 2.172 2.192 . 0 0 "[ . 1]" 1
351 1 24 GLU HA 1 24 GLU QG 2.765 . 3.730 3.417 3.345 3.625 . 0 0 "[ . 1]" 1
352 1 24 GLU QB 1 25 HIS H 2.845 . 3.890 3.780 3.652 3.908 0.018 8 0 "[ . 1]" 1
353 1 24 GLU QG 1 25 HIS H 3.415 . 5.030 3.021 2.563 3.433 . 0 0 "[ . 1]" 1
354 1 25 HIS HB3 1 26 SER H 3.140 . 4.480 3.730 2.712 4.430 . 0 0 "[ . 1]" 1
355 1 25 HIS H 1 25 HIS HB2 2.810 . 3.820 2.592 2.255 3.590 . 0 0 "[ . 1]" 1
356 1 25 HIS H 1 26 SER H 2.700 . 3.600 2.667 2.457 3.060 . 0 0 "[ . 1]" 1
357 1 25 HIS HA 1 26 SER H 2.645 . 3.490 3.224 2.824 3.494 0.004 10 0 "[ . 1]" 1
358 1 25 HIS H 1 25 HIS HB3 2.810 . 3.820 3.015 2.324 3.806 . 0 0 "[ . 1]" 1
359 1 25 HIS HB2 1 26 SER H 3.140 . 4.480 3.979 3.002 4.529 0.049 2 0 "[ . 1]" 1
360 1 25 HIS H 1 25 HIS QB 2.560 . 3.320 2.323 2.217 2.618 . 0 0 "[ . 1]" 1
361 1 25 HIS HA 1 25 HIS QB 2.140 . 2.480 2.399 2.177 2.493 0.013 10 0 "[ . 1]" 1
362 1 26 SER H 1 27 SER H 2.980 . 4.160 2.630 2.355 3.254 . 0 0 "[ . 1]" 1
363 1 26 SER QB 1 27 SER H 2.945 . 4.090 3.160 2.621 3.945 . 0 0 "[ . 1]" 1
364 1 26 SER H 1 26 SER QB 2.315 . 2.830 2.474 2.254 2.850 0.020 10 0 "[ . 1]" 1
365 1 27 SER HA 1 27 SER QB 2.100 . 2.400 2.346 2.202 2.411 0.011 1 0 "[ . 1]" 1
366 1 27 SER H 1 27 SER QB 2.975 . 4.150 2.581 2.315 3.093 . 0 0 "[ . 1]" 1
367 1 29 GLN HA 1 29 GLN QG 2.780 . 3.760 2.614 2.374 3.005 . 0 0 "[ . 1]" 1
368 1 29 GLN QG 1 30 GLY H 3.650 . 5.500 3.954 3.014 4.440 . 0 0 "[ . 1]" 1
369 1 29 GLN HE21 1 29 GLN QG 2.100 . 2.400 2.172 2.115 2.218 . 0 0 "[ . 1]" 1
370 1 29 GLN QB 1 29 GLN QG 2.055 . 2.310 2.053 1.984 2.091 . 0 0 "[ . 1]" 1
371 1 31 MET H 1 31 MET QG 3.095 . 4.390 2.596 2.033 4.137 . 0 0 "[ . 1]" 1
372 1 33 ASN QB 1 34 ILE H 2.845 . 3.890 2.943 1.780 3.940 0.050 7 0 "[ . 1]" 1
373 1 34 ILE MG 1 61 GLN QG 2.695 . 3.590 2.972 2.232 3.677 0.087 7 0 "[ . 1]" 1
374 1 34 ILE HA 1 34 ILE MG 2.670 . 3.540 2.844 2.385 3.239 . 0 0 "[ . 1]" 1
375 1 34 ILE HB 1 34 ILE MD 2.750 . 3.700 2.495 2.433 2.657 . 0 0 "[ . 1]" 1
376 1 34 ILE MD 1 65 PHE QE 2.880 . 3.960 3.478 2.147 4.061 0.101 9 0 "[ . 1]" 1
377 1 34 ILE MD 1 65 PHE HZ 3.030 . 4.260 3.986 3.464 4.386 0.126 8 0 "[ . 1]" 1
378 1 34 ILE HB 1 61 GLN QG 2.925 . 4.050 2.314 1.804 4.092 0.042 8 0 "[ . 1]" 1
379 1 34 ILE MG 1 35 LYS H 2.910 . 4.020 3.224 2.281 4.127 0.107 10 0 "[ . 1]" 1
380 1 34 ILE MD 1 65 PHE QD 3.495 . 5.190 4.360 2.854 5.379 0.189 2 0 "[ . 1]" 1
381 1 34 ILE H 1 61 GLN QG 3.505 . 5.210 3.824 3.032 4.917 . 0 0 "[ . 1]" 1
382 1 34 ILE H 1 34 ILE QG 3.140 . 4.480 3.292 1.831 4.213 . 0 0 "[ . 1]" 1
383 1 34 ILE HA 1 34 ILE QG 2.450 . 3.100 2.476 2.394 2.521 . 0 0 "[ . 1]" 1
384 1 34 ILE QG 1 61 GLN QB 3.255 . 4.710 3.640 1.921 4.828 0.118 2 0 "[ . 1]" 1
385 1 35 LYS H 1 35 LYS QE 3.650 . 5.500 4.771 3.545 5.568 0.068 7 0 "[ . 1]" 1
386 1 35 LYS H 1 35 LYS QB 2.655 . 3.510 2.805 2.386 3.399 . 0 0 "[ . 1]" 1
387 1 35 LYS H 1 35 LYS QG 3.650 . 5.500 3.013 1.933 4.234 . 0 0 "[ . 1]" 1
388 1 36 HIS QB 1 36 HIS HD2 2.450 . 3.100 2.772 2.655 2.933 . 0 0 "[ . 1]" 1
389 1 36 HIS HA 1 37 VAL HA 3.310 . 4.820 4.369 4.274 4.512 . 0 0 "[ . 1]" 1
390 1 36 HIS QB 1 37 VAL H 3.000 . 4.200 3.112 1.975 4.018 . 0 0 "[ . 1]" 1
391 1 36 HIS HA 1 37 VAL H 2.615 . 3.430 2.511 2.134 3.496 0.066 9 0 "[ . 1]" 1
392 1 37 VAL HA 1 37 VAL QG 2.360 . 2.920 2.263 2.158 2.353 . 0 0 "[ . 1]" 1
393 1 37 VAL H 1 37 VAL QG 2.710 . 3.620 2.156 1.859 2.953 . 0 0 "[ . 1]" 1
394 1 37 VAL HB 1 38 GLY H 3.155 . 4.510 3.518 1.789 4.368 0.011 9 0 "[ . 1]" 1
395 1 37 VAL HA 1 38 GLY H 2.565 . 3.330 2.642 2.084 3.439 0.109 9 0 "[ . 1]" 1
396 1 37 VAL H 1 38 GLY H 3.650 . 5.500 3.509 1.796 4.579 0.004 10 0 "[ . 1]" 1
397 1 37 VAL QG 1 38 GLY H 2.995 . 4.190 2.988 2.415 3.706 . 0 0 "[ . 1]" 1
398 1 37 VAL H 1 37 VAL HB 2.850 . 3.900 3.264 2.580 3.858 . 0 0 "[ . 1]" 1
399 1 38 GLY H 1 39 PRO QD 3.130 . 4.460 3.832 2.258 4.374 . 0 0 "[ . 1]" 1
400 1 41 GLY QA 1 42 ARG H 2.635 . 3.470 2.365 2.070 2.811 . 0 0 "[ . 1]" 1
401 1 42 ARG HA 1 42 ARG QD 2.840 . 3.880 3.481 2.111 3.941 0.061 1 0 "[ . 1]" 1
402 1 42 ARG H 1 43 PHE QE 3.650 . 5.500 4.886 3.917 5.618 0.118 5 0 "[ . 1]" 1
403 1 42 ARG H 1 42 ARG QD 3.245 . 4.690 4.177 2.846 4.795 0.105 5 0 "[ . 1]" 1
404 1 42 ARG H 1 43 PHE H 3.010 . 4.220 3.976 2.883 4.264 0.044 1 0 "[ . 1]" 1
405 1 42 ARG H 1 42 ARG QG 2.615 . 3.430 2.998 2.535 3.245 . 0 0 "[ . 1]" 1
406 1 42 ARG HA 1 42 ARG QG 2.690 . 3.580 2.693 2.357 3.519 . 0 0 "[ . 1]" 1
407 1 42 ARG QB 1 42 ARG QD 2.690 . 3.580 2.249 2.022 2.651 . 0 0 "[ . 1]" 1
408 1 43 PHE HA 1 47 MET QB 2.925 . 4.050 3.375 3.100 3.788 . 0 0 "[ . 1]" 1
409 1 43 PHE HA 1 44 THR MG 3.515 . 5.230 3.787 3.446 3.985 . 0 0 "[ . 1]" 1
410 1 43 PHE HA 1 43 PHE QD 3.040 . 4.280 2.886 2.218 3.734 . 0 0 "[ . 1]" 1
411 1 43 PHE QD 1 48 LEU MD2 2.610 . 3.420 2.547 2.147 3.396 . 0 0 "[ . 1]" 1
412 1 43 PHE HA 1 48 LEU MD1 3.570 . 5.340 4.785 3.606 5.317 . 0 0 "[ . 1]" 1
413 1 43 PHE HA 1 48 LEU HG 3.235 . 4.670 4.354 3.537 4.755 0.085 8 0 "[ . 1]" 1
414 1 43 PHE HA 1 48 LEU MD2 3.585 . 5.370 3.638 2.336 4.286 . 0 0 "[ . 1]" 1
415 1 43 PHE HB3 1 48 LEU MD2 3.225 . 4.650 2.590 2.055 3.124 . 0 0 "[ . 1]" 1
416 1 43 PHE HB2 1 48 LEU MD2 3.225 . 4.650 3.649 2.100 4.676 0.026 1 0 "[ . 1]" 1
417 1 43 PHE HA 1 44 THR H 2.600 . 3.400 2.121 2.014 2.299 . 0 0 "[ . 1]" 1
418 1 43 PHE H 1 43 PHE QD 3.095 . 4.390 2.931 2.334 3.422 . 0 0 "[ . 1]" 1
419 1 43 PHE QD 1 44 THR H 3.650 . 5.500 4.462 4.041 4.780 . 0 0 "[ . 1]" 1
420 1 43 PHE HB2 1 44 THR H 3.310 . 4.820 4.129 3.328 4.445 . 0 0 "[ . 1]" 1
421 1 43 PHE HB3 1 44 THR H 3.310 . 4.820 3.597 2.622 3.947 . 0 0 "[ . 1]" 1
422 1 43 PHE HA 1 47 MET H 3.650 . 5.500 5.385 5.235 5.552 0.052 9 0 "[ . 1]" 1
423 1 43 PHE H 1 43 PHE QB 2.710 . 3.620 2.634 2.496 3.031 . 0 0 "[ . 1]" 1
424 1 43 PHE HA 1 105 VAL MG2 3.650 . 5.500 5.541 5.338 5.620 0.120 8 0 "[ . 1]" 1
425 1 43 PHE QB 1 47 MET QB 3.570 . 5.340 4.177 2.958 5.266 . 0 0 "[ . 1]" 1
426 1 43 PHE QB 1 48 LEU MD2 2.940 . 4.080 2.450 2.040 3.080 . 0 0 "[ . 1]" 1
427 1 44 THR MG 1 104 TYR HA 3.185 . 4.570 2.223 2.050 2.834 . 0 0 "[ . 1]" 1
428 1 44 THR MG 1 102 ILE MG 2.665 . 3.530 3.144 2.061 3.590 0.060 10 0 "[ . 1]" 1
429 1 44 THR HB 1 102 ILE MG 3.555 . 5.310 4.868 3.492 5.384 0.074 8 0 "[ . 1]" 1
430 1 44 THR HA 1 44 THR MG 2.880 . 3.960 2.413 2.335 2.527 . 0 0 "[ . 1]" 1
431 1 44 THR HA 1 44 THR HB 2.210 . 2.620 2.499 2.478 2.529 . 0 0 "[ . 1]" 1
432 1 44 THR MG 1 47 MET QB 3.060 . 4.320 4.035 3.291 4.328 0.008 7 0 "[ . 1]" 1
433 1 44 THR MG 1 102 ILE MD 3.200 . 4.600 2.573 1.927 4.556 . 0 0 "[ . 1]" 1
434 1 44 THR HA 1 105 VAL HB 2.905 . 4.010 3.464 3.164 3.982 . 0 0 "[ . 1]" 1
435 1 44 THR HA 1 105 VAL H 3.275 . 4.750 2.632 2.351 2.924 . 0 0 "[ . 1]" 1
436 1 44 THR MG 1 104 TYR QB 2.600 . 3.400 3.261 1.832 3.492 0.092 9 0 "[ . 1]" 1
437 1 44 THR MG 1 104 TYR H 3.650 . 5.500 4.106 3.864 4.336 . 0 0 "[ . 1]" 1
438 1 44 THR MG 1 105 VAL H 3.650 . 5.500 3.848 3.622 4.146 . 0 0 "[ . 1]" 1
439 1 44 THR HB 1 45 MET H 2.605 . 3.410 2.739 2.533 2.958 . 0 0 "[ . 1]" 1
440 1 44 THR MG 1 47 MET H 3.460 . 5.120 4.418 4.041 4.689 . 0 0 "[ . 1]" 1
441 1 44 THR H 1 47 MET QB 2.650 . 3.500 2.403 2.007 2.804 . 0 0 "[ . 1]" 1
442 1 44 THR H 1 47 MET H 2.990 . 4.180 3.590 3.346 3.877 . 0 0 "[ . 1]" 1
443 1 44 THR MG 1 45 MET H 2.940 . 4.080 3.883 3.794 4.059 . 0 0 "[ . 1]" 1
444 1 44 THR MG 1 46 ASN H 3.290 . 4.780 4.511 4.329 4.716 . 0 0 "[ . 1]" 1
445 1 44 THR H 1 104 TYR QB 3.585 . 5.370 5.186 3.645 5.446 0.076 2 0 "[ . 1]" 1
446 1 44 THR H 1 44 THR MG 2.750 . 3.700 2.675 2.200 2.904 . 0 0 "[ . 1]" 1
447 1 44 THR H 1 48 LEU HG 3.650 . 5.500 3.789 3.231 4.499 . 0 0 "[ . 1]" 1
448 1 44 THR H 1 104 TYR QD 3.650 . 5.500 4.850 4.370 5.586 0.086 6 0 "[ . 1]" 1
449 1 44 THR MG 1 104 TYR QD 2.890 . 3.980 2.729 2.406 2.934 . 0 0 "[ . 1]" 1
450 1 44 THR MG 1 104 TYR QE 3.265 . 4.730 3.332 2.924 4.796 0.066 6 0 "[ . 1]" 1
451 1 44 THR HA 1 105 VAL MG2 3.075 . 4.350 2.796 2.612 3.080 . 0 0 "[ . 1]" 1
452 1 44 THR HA 1 47 MET H 3.650 . 5.500 4.691 4.518 4.904 . 0 0 "[ . 1]" 1
453 1 45 MET HA 1 105 VAL HB 2.880 . 3.960 3.995 3.943 4.050 0.090 10 0 "[ . 1]" 1
454 1 45 MET HA 1 48 LEU MD1 2.955 . 4.110 2.468 2.264 2.713 . 0 0 "[ . 1]" 1
455 1 45 MET HA 1 48 LEU HB2 3.300 . 4.800 2.886 2.760 3.062 . 0 0 "[ . 1]" 1
456 1 45 MET HA 1 48 LEU MD2 3.600 . 5.400 4.512 4.133 4.804 . 0 0 "[ . 1]" 1
457 1 45 MET QG 1 46 ASN HD22 3.650 . 5.500 4.684 3.078 5.588 0.088 2 0 "[ . 1]" 1
458 1 45 MET QG 1 46 ASN HA 3.025 . 4.250 3.236 3.015 3.504 . 0 0 "[ . 1]" 1
459 1 45 MET QB 1 80 PHE HB3 3.135 . 4.470 2.714 2.289 3.322 . 0 0 "[ . 1]" 1
460 1 45 MET HA 1 48 LEU H 3.395 . 4.990 3.516 3.177 3.710 . 0 0 "[ . 1]" 1
461 1 45 MET HA 1 49 VAL H 3.650 . 5.500 4.415 4.187 4.597 . 0 0 "[ . 1]" 1
462 1 45 MET HA 1 48 LEU HG 3.500 . 5.200 3.041 2.537 3.429 . 0 0 "[ . 1]" 1
463 1 45 MET QB 1 48 LEU MD1 2.925 . 4.050 3.746 3.244 4.085 0.035 10 0 "[ . 1]" 1
464 1 45 MET QG 1 48 LEU H 3.650 . 5.500 5.235 5.108 5.505 0.005 1 0 "[ . 1]" 1
465 1 45 MET HA 1 47 MET H 3.390 . 4.980 4.307 4.022 4.523 . 0 0 "[ . 1]" 1
466 1 45 MET H 1 46 ASN H 3.010 . 4.220 2.820 2.596 3.041 . 0 0 "[ . 1]" 1
467 1 45 MET QG 1 46 ASN H 2.570 . 3.340 2.187 1.945 2.476 . 0 0 "[ . 1]" 1
468 1 45 MET H 1 105 VAL HB 2.930 . 4.060 4.070 3.939 4.120 0.060 9 0 "[ . 1]" 1
469 1 45 MET H 1 46 ASN HA 3.650 . 5.500 5.387 5.226 5.513 0.013 9 0 "[ . 1]" 1
470 1 45 MET H 1 48 LEU HB2 3.650 . 5.500 5.398 5.122 5.518 0.018 1 0 "[ . 1]" 1
471 1 45 MET H 1 48 LEU MD1 3.650 . 5.500 4.340 4.027 4.567 . 0 0 "[ . 1]" 1
472 1 45 MET QG 1 46 ASN HD21 3.650 . 5.500 4.104 2.541 5.120 . 0 0 "[ . 1]" 1
473 1 45 MET HA 1 80 PHE QE 3.650 . 5.500 4.901 4.152 5.502 0.002 5 0 "[ . 1]" 1
474 1 45 MET QB 1 80 PHE QD 2.975 . 4.150 3.598 2.936 4.154 0.004 5 0 "[ . 1]" 1
475 1 45 MET H 1 105 VAL MG2 2.915 . 4.030 2.250 2.114 2.418 . 0 0 "[ . 1]" 1
476 1 45 MET HA 1 49 VAL MG2 3.620 . 5.440 3.907 3.617 4.059 . 0 0 "[ . 1]" 1
477 1 45 MET HA 1 105 VAL MG2 2.415 . 3.030 2.319 2.150 2.542 . 0 0 "[ . 1]" 1
478 1 45 MET QB 1 49 VAL MG2 3.300 . 4.800 3.437 3.193 3.607 . 0 0 "[ . 1]" 1
479 1 46 ASN HA 1 49 VAL HB 3.130 . 4.460 2.777 2.310 3.026 . 0 0 "[ . 1]" 1
480 1 46 ASN H 1 47 MET H 2.965 . 4.130 2.611 2.488 2.742 . 0 0 "[ . 1]" 1
481 1 46 ASN H 1 48 LEU HG 3.650 . 5.500 5.032 4.816 5.297 . 0 0 "[ . 1]" 1
482 1 46 ASN H 1 46 ASN HB2 2.725 . 3.650 2.437 2.304 2.573 . 0 0 "[ . 1]" 1
483 1 46 ASN H 1 46 ASN HB3 2.725 . 3.650 3.121 2.515 3.666 0.016 1 0 "[ . 1]" 1
484 1 46 ASN HA 1 49 VAL H 2.710 . 3.620 3.408 2.983 3.595 . 0 0 "[ . 1]" 1
485 1 46 ASN H 1 49 VAL MG2 3.620 . 5.440 4.396 4.087 4.606 . 0 0 "[ . 1]" 1
486 1 46 ASN H 1 105 VAL MG2 3.620 . 5.440 4.493 4.320 4.722 . 0 0 "[ . 1]" 1
487 1 46 ASN HA 1 49 VAL MG2 3.080 . 4.360 2.843 2.166 3.311 . 0 0 "[ . 1]" 1
488 1 46 ASN QB 1 47 MET H 2.750 . 3.700 2.768 2.441 3.155 . 0 0 "[ . 1]" 1
489 1 46 ASN QB 1 49 VAL MG2 3.540 . 5.280 4.482 3.844 4.953 . 0 0 "[ . 1]" 1
490 1 47 MET QB 1 47 MET ME 2.905 . 4.010 3.022 2.042 3.706 . 0 0 "[ . 1]" 1
491 1 47 MET H 1 48 LEU MD2 3.315 . 4.830 4.822 4.535 4.872 0.042 5 0 "[ . 1]" 1
492 1 47 MET H 1 47 MET ME 3.300 . 4.800 4.381 4.054 4.679 . 0 0 "[ . 1]" 1
493 1 47 MET H 1 47 MET QB 2.605 . 3.410 2.319 2.199 2.434 . 0 0 "[ . 1]" 1
494 1 47 MET QB 1 48 LEU H 3.095 . 4.390 2.599 2.482 2.736 . 0 0 "[ . 1]" 1
495 1 47 MET H 1 48 LEU HG 3.250 . 4.700 4.053 3.965 4.178 . 0 0 "[ . 1]" 1
496 1 47 MET HA 1 50 ASP H 3.650 . 5.500 3.507 3.138 3.896 . 0 0 "[ . 1]" 1
497 1 48 LEU HG 1 105 VAL HB 2.985 . 4.170 3.837 3.670 3.969 . 0 0 "[ . 1]" 1
498 1 48 LEU HG 1 105 VAL MG1 3.410 . 5.020 4.180 4.001 4.755 . 0 0 "[ . 1]" 1
499 1 48 LEU HG 1 105 VAL MG2 3.410 . 3.770 3.709 3.550 3.831 0.061 9 0 "[ . 1]" 1
500 1 48 LEU HB2 1 48 LEU MD2 2.920 . 4.040 3.203 3.176 3.216 . 0 0 "[ . 1]" 1
501 1 48 LEU HA 1 51 ILE MD 2.955 . 4.110 3.268 2.494 4.254 0.144 9 0 "[ . 1]" 1
502 1 48 LEU HB2 1 48 LEU MD1 2.220 . 2.640 2.362 2.338 2.397 . 0 0 "[ . 1]" 1
503 1 48 LEU HA 1 48 LEU MD2 2.325 . 2.850 2.069 1.995 2.139 . 0 0 "[ . 1]" 1
504 1 48 LEU HB3 1 48 LEU MD2 2.915 . 4.030 2.430 2.357 2.494 . 0 0 "[ . 1]" 1
505 1 48 LEU HB3 1 48 LEU MD1 2.870 . 3.940 2.330 2.291 2.343 . 0 0 "[ . 1]" 1
506 1 48 LEU H 1 48 LEU MD2 2.465 . 3.130 3.091 2.948 3.154 0.024 6 0 "[ . 1]" 1
507 1 48 LEU HB3 1 49 VAL H 3.290 . 4.780 3.814 3.653 3.992 . 0 0 "[ . 1]" 1
508 1 48 LEU HA 1 51 ILE HB 2.880 . 3.960 2.952 2.366 3.921 . 0 0 "[ . 1]" 1
509 1 48 LEU HA 1 48 LEU MD1 2.915 . 4.030 3.836 3.819 3.857 . 0 0 "[ . 1]" 1
510 1 48 LEU H 1 48 LEU HG 2.705 . 3.610 2.244 2.186 2.299 . 0 0 "[ . 1]" 1
511 1 48 LEU H 1 48 LEU HB3 2.780 . 3.760 3.590 3.565 3.614 . 0 0 "[ . 1]" 1
512 1 48 LEU H 1 49 VAL HB 3.650 . 5.500 4.568 4.343 4.692 . 0 0 "[ . 1]" 1
513 1 48 LEU HB2 1 49 VAL H 3.015 . 4.230 2.767 2.580 2.949 . 0 0 "[ . 1]" 1
514 1 48 LEU HB2 1 50 ASP H 3.535 . 5.270 5.071 4.945 5.273 0.003 3 0 "[ . 1]" 1
515 1 48 LEU H 1 48 LEU HB2 2.690 . 3.580 2.529 2.477 2.599 . 0 0 "[ . 1]" 1
516 1 48 LEU H 1 48 LEU MD1 2.850 . 3.900 3.679 3.627 3.758 . 0 0 "[ . 1]" 1
517 1 48 LEU HG 1 49 VAL H 3.110 . 4.420 4.388 4.322 4.438 0.018 6 0 "[ . 1]" 1
518 1 48 LEU H 1 49 VAL H 2.720 . 3.640 2.719 2.594 2.826 . 0 0 "[ . 1]" 1
519 1 48 LEU MD1 1 80 PHE QE 2.785 . 3.770 2.830 2.573 3.108 . 0 0 "[ . 1]" 1
520 1 48 LEU HB3 1 80 PHE HZ 3.040 . 4.280 3.121 2.781 3.660 . 0 0 "[ . 1]" 1
521 1 48 LEU HB2 1 80 PHE HZ 3.230 . 4.660 3.846 3.013 4.297 . 0 0 "[ . 1]" 1
522 1 48 LEU HB2 1 49 VAL MG2 3.200 . 4.600 3.160 2.915 3.349 . 0 0 "[ . 1]" 1
523 1 48 LEU MD1 1 105 VAL MG2 2.590 . 3.380 2.359 2.039 2.611 . 0 0 "[ . 1]" 1
524 1 48 LEU HA 1 51 ILE H 3.650 . 5.500 3.553 3.357 3.813 . 0 0 "[ . 1]" 1
525 1 48 LEU HA 1 52 PHE H 3.650 . 5.500 3.928 3.712 4.220 . 0 0 "[ . 1]" 1
526 1 49 VAL HA 1 49 VAL MG2 2.855 . 3.910 2.252 2.168 2.291 . 0 0 "[ . 1]" 1
527 1 49 VAL MG2 1 76 ALA MB . . 2.580 2.421 1.994 2.628 0.048 10 0 "[ . 1]" 1
528 1 49 VAL HA 1 76 ALA MB 3.195 . 4.590 2.954 2.468 3.234 . 0 0 "[ . 1]" 1
529 1 49 VAL MG2 1 77 GLU QG 3.080 . 3.780 2.109 1.776 3.631 0.024 3 0 "[ . 1]" 1
530 1 49 VAL HA 1 52 PHE H 3.305 . 4.810 3.439 3.216 3.642 . 0 0 "[ . 1]" 1
531 1 49 VAL HA 1 53 LEU H 3.650 . 5.500 4.121 3.840 4.448 . 0 0 "[ . 1]" 1
532 1 49 VAL MG1 1 77 GLU QG 3.080 . 4.360 2.234 1.799 3.855 0.001 9 0 "[ . 1]" 1
533 1 49 VAL MG1 1 76 ALA MB 2.660 . 3.520 1.855 1.805 1.921 . 0 0 "[ . 1]" 1
534 1 49 VAL HA 1 49 VAL MG1 2.855 . 3.910 2.365 2.301 2.460 . 0 0 "[ . 1]" 1
535 1 49 VAL H 1 49 VAL MG2 2.495 . 2.580 1.978 1.845 2.187 . 0 0 "[ . 1]" 1
536 1 49 VAL MG1 1 50 ASP H 3.095 . 4.390 3.009 2.708 3.222 . 0 0 "[ . 1]" 1
537 1 49 VAL MG1 1 77 GLU H 3.440 . 5.080 3.070 2.854 3.321 . 0 0 "[ . 1]" 1
538 1 49 VAL H 1 49 VAL MG1 2.495 . 3.190 3.488 3.467 3.505 0.315 2 0 "[ . 1]" 1
539 1 49 VAL H 1 49 VAL HB 2.730 . 3.660 2.190 2.106 2.245 . 0 0 "[ . 1]" 1
540 1 49 VAL H 1 50 ASP H 2.785 . 3.770 2.517 2.375 2.630 . 0 0 "[ . 1]" 1
541 1 49 VAL HB 1 50 ASP H 2.900 . 4.000 2.351 2.257 2.512 . 0 0 "[ . 1]" 1
542 1 49 VAL MG2 1 50 ASP H 3.095 . 3.550 3.670 3.644 3.705 0.155 9 0 "[ . 1]" 1
543 1 49 VAL HB 1 52 PHE H 3.650 . 5.500 5.388 5.243 5.507 0.007 10 0 "[ . 1]" 1
544 1 49 VAL HA 1 51 ILE H 3.265 . 4.730 4.474 4.261 4.598 . 0 0 "[ . 1]" 1
545 1 49 VAL MG2 1 77 GLU H 3.440 . 4.220 3.172 2.810 3.789 . 0 0 "[ . 1]" 1
546 1 49 VAL HA 1 80 PHE HZ 3.615 . 5.430 4.176 3.861 4.563 . 0 0 "[ . 1]" 1
547 1 49 VAL HA 1 80 PHE QE 3.100 . 4.400 2.823 2.267 3.299 . 0 0 "[ . 1]" 1
548 1 49 VAL H 1 50 ASP QB 3.285 . 4.770 4.333 4.036 4.526 . 0 0 "[ . 1]" 1
549 1 49 VAL MG2 1 76 ALA H 3.620 . 5.440 4.748 4.319 5.283 . 0 0 "[ . 1]" 1
550 1 49 VAL MG2 1 76 ALA HA 3.275 . 4.750 4.218 3.923 4.443 . 0 0 "[ . 1]" 1
551 1 49 VAL MG2 1 77 GLU HA 2.870 . 3.940 2.397 2.046 2.736 . 0 0 "[ . 1]" 1
552 1 49 VAL MG2 1 78 ARG H 3.620 . 5.440 4.850 4.561 5.420 . 0 0 "[ . 1]" 1
553 1 49 VAL MG2 1 80 PHE HB2 3.295 . 4.790 3.561 2.888 4.307 . 0 0 "[ . 1]" 1
554 1 49 VAL MG2 1 80 PHE HZ 2.975 . 4.150 4.145 3.985 4.229 0.079 5 0 "[ . 1]" 1
555 1 49 VAL MG2 1 80 PHE QE 2.655 . 3.510 2.437 2.124 2.997 . 0 0 "[ . 1]" 1
556 1 49 VAL MG2 1 80 PHE QD 2.575 . 3.350 2.339 2.127 2.664 . 0 0 "[ . 1]" 1
557 1 50 ASP HB3 1 51 ILE H 3.365 . 4.930 2.801 2.282 3.448 . 0 0 "[ . 1]" 1
558 1 50 ASP HB2 1 51 ILE H 3.365 . 4.930 3.321 2.335 3.736 . 0 0 "[ . 1]" 1
559 1 50 ASP H 1 50 ASP HA 2.345 . 2.890 2.813 2.790 2.843 . 0 0 "[ . 1]" 1
560 1 50 ASP HA 1 52 PHE H 3.650 . 5.500 4.530 4.367 4.712 . 0 0 "[ . 1]" 1
561 1 50 ASP H 1 50 ASP HB3 2.710 . 3.620 3.100 2.780 3.669 0.049 6 0 "[ . 1]" 1
562 1 50 ASP H 1 50 ASP HB2 2.710 . 3.620 2.330 2.177 2.621 . 0 0 "[ . 1]" 1
563 1 50 ASP HB3 1 58 ALA H 3.640 . 5.480 3.369 2.982 4.094 . 0 0 "[ . 1]" 1
564 1 50 ASP H 1 51 ILE HB 3.615 . 5.430 4.785 4.464 5.118 . 0 0 "[ . 1]" 1
565 1 50 ASP H 1 58 ALA MB 3.650 . 5.500 4.891 4.241 5.443 . 0 0 "[ . 1]" 1
566 1 50 ASP HA 1 53 LEU H 3.115 . 4.430 3.823 3.460 4.198 . 0 0 "[ . 1]" 1
567 1 50 ASP HB2 1 58 ALA H 3.640 . 5.480 4.624 4.087 5.519 0.039 8 0 "[ . 1]" 1
568 1 50 ASP H 1 50 ASP QB 2.480 . 3.160 2.256 2.121 2.567 . 0 0 "[ . 1]" 1
569 1 50 ASP H 1 55 SER QB 3.385 . 4.970 4.880 4.581 5.012 0.042 6 0 "[ . 1]" 1
570 1 50 ASP HA 1 53 LEU MD1 3.620 . 5.440 4.474 4.200 5.178 . 0 0 "[ . 1]" 1
571 1 50 ASP HA 1 55 SER QB 2.280 . 2.760 2.569 2.156 2.780 0.020 9 0 "[ . 1]" 1
572 1 50 ASP QB 1 51 ILE MD 3.215 . 4.630 3.871 2.235 4.636 0.006 3 0 "[ . 1]" 1
573 1 50 ASP QB 1 55 SER QB 2.750 . 3.700 3.102 1.981 3.383 . 0 0 "[ . 1]" 1
574 1 50 ASP QB 1 58 ALA H 3.235 . 4.670 3.289 2.913 3.990 . 0 0 "[ . 1]" 1
575 1 50 ASP QB 1 58 ALA MB 3.095 . 4.390 2.615 2.293 2.888 . 0 0 "[ . 1]" 1
576 1 51 ILE HA 1 65 PHE QD 3.060 . 4.320 3.279 2.489 4.522 0.202 10 0 "[ . 1]" 1
577 1 51 ILE MD 1 65 PHE QE 2.850 . 3.900 3.729 2.341 4.117 0.217 7 0 "[ . 1]" 1
578 1 51 ILE MD 1 60 ILE MG 2.960 . 4.120 3.385 1.839 4.397 0.277 10 0 "[ . 1]" 1
579 1 51 ILE HB 1 52 PHE H 2.485 . 3.170 2.827 2.506 3.509 0.339 9 0 "[ . 1]" 1
580 1 51 ILE HB 1 51 ILE MD 2.325 . 2.850 2.442 2.243 2.590 . 0 0 "[ . 1]" 1
581 1 51 ILE MG 1 58 ALA MB 2.815 . 3.830 3.345 2.567 3.619 . 0 0 "[ . 1]" 1
582 1 51 ILE MG 1 65 PHE QE 2.570 . 3.340 3.208 2.497 3.487 0.147 5 0 "[ . 1]" 1
583 1 51 ILE H 1 51 ILE MG 3.020 . 4.240 3.471 2.086 3.807 . 0 0 "[ . 1]" 1
584 1 51 ILE MG 1 66 GLY H 3.315 . 4.830 3.836 3.602 4.345 . 0 0 "[ . 1]" 1
585 1 51 ILE MG 1 65 PHE HA 2.820 . 3.840 2.421 2.072 2.843 . 0 0 "[ . 1]" 1
586 1 51 ILE HA 1 51 ILE MG 2.265 . 2.730 2.600 2.237 3.028 0.298 9 0 "[ . 1]" 1
587 1 51 ILE MG 1 65 PHE HB2 3.285 . 4.770 3.102 2.512 4.654 . 0 0 "[ . 1]" 1
588 1 51 ILE MD 1 65 PHE QD 3.325 . 4.850 3.493 1.976 4.466 . 0 0 "[ . 1]" 1
589 1 51 ILE HG12 1 51 ILE MG 2.900 . 4.000 2.253 2.033 2.426 . 0 0 "[ . 1]" 1
590 1 51 ILE HG13 1 51 ILE MG 2.900 . 4.000 2.897 2.177 3.208 . 0 0 "[ . 1]" 1
591 1 51 ILE MG 1 65 PHE HZ 3.650 . 5.500 4.984 3.639 5.440 . 0 0 "[ . 1]" 1
592 1 51 ILE MD 1 60 ILE HB 3.650 . 5.500 2.936 1.885 5.395 . 0 0 "[ . 1]" 1
593 1 51 ILE HA 1 58 ALA MB 2.690 . 3.580 2.382 1.882 2.697 . 0 0 "[ . 1]" 1
594 1 51 ILE MG 1 52 PHE HA 3.650 . 5.500 3.265 3.042 3.947 . 0 0 "[ . 1]" 1
595 1 51 ILE MG 1 58 ALA HA 3.650 . 5.500 5.305 4.298 5.591 0.091 3 0 "[ . 1]" 1
596 1 51 ILE MG 1 52 PHE H 2.720 . 3.640 3.015 2.055 3.661 0.021 6 0 "[ . 1]" 1
597 1 51 ILE H 1 52 PHE H 2.880 . 3.960 2.590 2.369 2.709 . 0 0 "[ . 1]" 1
598 1 51 ILE H 1 54 GLY H 3.650 . 5.500 4.682 4.468 4.923 . 0 0 "[ . 1]" 1
599 1 51 ILE MG 1 54 GLY H 3.260 . 4.720 4.400 4.144 4.738 0.018 3 0 "[ . 1]" 1
600 1 51 ILE HA 1 60 ILE H 3.650 . 5.500 4.992 3.412 5.533 0.033 2 0 "[ . 1]" 1
601 1 51 ILE MD 1 60 ILE H 2.695 . 3.590 2.794 2.232 3.435 . 0 0 "[ . 1]" 1
602 1 51 ILE H 1 51 ILE MD 2.810 . 3.820 3.272 2.079 3.958 0.138 9 0 "[ . 1]" 1
603 1 51 ILE HG13 1 52 PHE H 3.650 . 5.500 4.631 4.059 5.196 . 0 0 "[ . 1]" 1
604 1 51 ILE HG12 1 52 PHE H 3.650 . 5.500 4.853 4.269 5.301 . 0 0 "[ . 1]" 1
605 1 51 ILE HG12 1 60 ILE H 2.965 . 4.130 3.486 3.040 3.944 . 0 0 "[ . 1]" 1
606 1 51 ILE HG13 1 60 ILE H 2.965 . 4.130 3.492 2.488 4.156 0.026 3 0 "[ . 1]" 1
607 1 51 ILE MG 1 65 PHE H 3.140 . 4.480 3.548 3.089 4.351 . 0 0 "[ . 1]" 1
608 1 51 ILE H 1 52 PHE QB 3.445 . 5.090 4.250 4.123 4.380 . 0 0 "[ . 1]" 1
609 1 51 ILE H 1 51 ILE HB 2.665 . 3.530 2.375 2.005 2.627 . 0 0 "[ . 1]" 1
610 1 51 ILE H 1 55 SER H 3.625 . 5.450 4.870 4.586 5.111 . 0 0 "[ . 1]" 1
611 1 51 ILE MG 1 65 PHE QD 2.800 . 3.800 1.902 1.766 2.772 0.034 6 0 "[ . 1]" 1
612 1 51 ILE H 1 51 ILE QG 2.800 . 3.800 2.928 2.092 3.766 . 0 0 "[ . 1]" 1
613 1 51 ILE H 1 55 SER QB 3.570 . 5.340 4.591 4.303 4.764 . 0 0 "[ . 1]" 1
614 1 51 ILE HA 1 51 ILE QG 2.625 . 3.450 2.307 1.898 2.624 . 0 0 "[ . 1]" 1
615 1 51 ILE QG 1 51 ILE MG 2.475 . 3.150 2.153 1.975 2.349 . 0 0 "[ . 1]" 1
616 1 51 ILE QG 1 52 PHE H 3.260 . 4.720 4.191 3.840 4.675 . 0 0 "[ . 1]" 1
617 1 51 ILE QG 1 58 ALA H 3.490 . 5.180 4.698 4.366 5.186 0.006 8 0 "[ . 1]" 1
618 1 51 ILE QG 1 58 ALA MB 2.925 . 4.050 1.903 1.775 2.191 0.025 7 0 "[ . 1]" 1
619 1 51 ILE QG 1 60 ILE H 2.670 . 3.540 2.933 2.460 3.266 . 0 0 "[ . 1]" 1
620 1 51 ILE QG 1 60 ILE MD 3.455 . 5.110 4.390 3.112 5.149 0.039 7 0 "[ . 1]" 1
621 1 52 PHE HA 1 52 PHE QD 2.900 . 4.000 2.461 2.255 2.828 . 0 0 "[ . 1]" 1
622 1 52 PHE QD 1 64 ILE MD 2.945 . 4.090 2.285 2.028 2.635 . 0 0 "[ . 1]" 1
623 1 52 PHE QE 1 64 ILE MD 2.990 . 4.180 3.405 2.100 4.186 0.006 3 0 "[ . 1]" 1
624 1 52 PHE H 1 64 ILE MD 3.590 . 5.380 4.375 3.514 5.464 0.084 7 0 "[ . 1]" 1
625 1 52 PHE QB 1 64 ILE MD 3.050 . 4.300 3.061 2.119 4.234 . 0 0 "[ . 1]" 1
626 1 52 PHE QD 1 64 ILE MG 3.075 . 4.350 2.835 2.125 3.896 . 0 0 "[ . 1]" 1
627 1 52 PHE QD 1 76 ALA MB 3.045 . 4.290 2.463 1.989 2.789 . 0 0 "[ . 1]" 1
628 1 52 PHE QB 1 76 ALA MB 3.320 . 4.840 3.336 2.993 3.534 . 0 0 "[ . 1]" 1
629 1 52 PHE QD 1 53 LEU MD2 3.615 . 5.430 4.668 4.334 4.908 . 0 0 "[ . 1]" 1
630 1 52 PHE QE 1 76 ALA MB 3.380 . 4.960 3.268 2.835 3.714 . 0 0 "[ . 1]" 1
631 1 52 PHE QD 1 64 ILE HB 3.650 . 5.500 2.966 1.931 5.120 . 0 0 "[ . 1]" 1
632 1 52 PHE HA 1 64 ILE MD 2.975 . 4.150 3.409 3.027 3.990 . 0 0 "[ . 1]" 1
633 1 52 PHE HA 1 68 GLY H 3.475 . 5.150 3.686 3.357 4.005 . 0 0 "[ . 1]" 1
634 1 52 PHE H 1 53 LEU H 3.015 . 4.230 2.808 2.696 2.924 . 0 0 "[ . 1]" 1
635 1 52 PHE HA 1 66 GLY H 3.450 . 5.100 3.357 2.793 3.715 . 0 0 "[ . 1]" 1
636 1 52 PHE QD 1 53 LEU H 3.135 . 4.470 3.902 3.652 4.136 . 0 0 "[ . 1]" 1
637 1 52 PHE H 1 52 PHE QD 3.085 . 4.370 4.148 4.073 4.237 . 0 0 "[ . 1]" 1
638 1 52 PHE QB 1 53 LEU H 2.765 . 3.730 2.504 2.351 2.602 . 0 0 "[ . 1]" 1
639 1 52 PHE HA 1 54 GLY H 3.085 . 4.370 4.276 3.968 4.414 0.044 3 0 "[ . 1]" 1
640 1 52 PHE QE 1 68 GLY H 3.615 . 5.430 4.303 3.975 5.311 . 0 0 "[ . 1]" 1
641 1 52 PHE H 1 52 PHE QB 2.625 . 3.450 2.203 2.139 2.303 . 0 0 "[ . 1]" 1
642 1 52 PHE QB 1 80 PHE HZ 3.650 . 5.500 3.282 2.724 4.072 . 0 0 "[ . 1]" 1
643 1 52 PHE QD 1 67 LYS QB 3.490 . 5.180 3.604 2.655 5.245 0.065 9 0 "[ . 1]" 1
644 1 52 PHE QD 1 53 LEU MD1 3.615 . 4.640 2.307 2.008 2.569 . 0 0 "[ . 1]" 1
645 1 52 PHE QB 1 80 PHE QE 3.320 . 4.840 3.346 2.973 3.969 . 0 0 "[ . 1]" 1
646 1 52 PHE HA 1 53 LEU MD1 3.620 . 5.440 4.618 4.413 4.702 . 0 0 "[ . 1]" 1
647 1 52 PHE QB 1 53 LEU MD1 2.330 . 2.860 2.796 2.629 2.879 0.019 7 0 "[ . 1]" 1
648 1 52 PHE QD 1 67 LYS QG 3.570 . 5.340 4.578 3.429 5.368 0.028 10 0 "[ . 1]" 1
649 1 52 PHE QD 1 79 LEU MD1 3.620 . 5.440 5.309 4.933 5.559 0.119 8 0 "[ . 1]" 1
650 1 52 PHE QE 1 53 LEU MD1 3.555 . 5.310 3.595 3.225 3.847 . 0 0 "[ . 1]" 1
651 1 52 PHE QE 1 79 LEU MD1 3.610 . 5.420 4.153 3.863 4.444 . 0 0 "[ . 1]" 1
652 1 53 LEU HA 1 69 SER HA 3.055 . 4.310 2.195 1.961 2.463 . 0 0 "[ . 1]" 1
653 1 53 LEU HA 1 53 LEU MD2 2.790 . 3.780 3.788 3.769 3.813 0.033 9 0 "[ . 1]" 1
654 1 53 LEU MD2 1 76 ALA MB 2.755 . 3.710 3.566 3.136 3.748 0.038 4 0 "[ . 1]" 1
655 1 53 LEU HA 1 53 LEU MD1 2.790 . 3.230 2.394 2.270 2.596 . 0 0 "[ . 1]" 1
656 1 53 LEU MD2 1 71 TYR HB2 3.310 . 4.820 3.602 3.496 3.739 . 0 0 "[ . 1]" 1
657 1 53 LEU MD1 1 71 TYR HB3 3.310 . 4.820 2.630 2.396 2.882 . 0 0 "[ . 1]" 1
658 1 53 LEU MD1 1 71 TYR HB2 3.310 . 4.820 1.966 1.898 2.054 . 0 0 "[ . 1]" 1
659 1 53 LEU MD2 1 71 TYR HB3 3.310 . 4.820 3.811 3.681 3.949 . 0 0 "[ . 1]" 1
660 1 53 LEU MD1 1 76 ALA MB . . 2.680 2.374 2.017 2.570 . 0 0 "[ . 1]" 1
661 1 53 LEU MD2 1 76 ALA H 3.650 . 5.500 4.584 4.061 4.807 . 0 0 "[ . 1]" 1
662 1 53 LEU H 1 53 LEU HB3 2.760 . 3.720 3.490 3.433 3.542 . 0 0 "[ . 1]" 1
663 1 53 LEU MD2 1 54 GLY H 3.650 . 5.500 5.040 4.761 5.306 . 0 0 "[ . 1]" 1
664 1 53 LEU HA 1 71 TYR H 3.580 . 5.360 4.566 4.289 4.823 . 0 0 "[ . 1]" 1
665 1 53 LEU H 1 54 GLY H 2.875 . 3.950 2.477 2.325 2.548 . 0 0 "[ . 1]" 1
666 1 53 LEU MD1 1 54 GLY H 3.650 . 4.700 4.456 4.295 4.540 . 0 0 "[ . 1]" 1
667 1 53 LEU HB2 1 54 GLY H 3.205 . 4.610 3.255 2.919 3.579 . 0 0 "[ . 1]" 1
668 1 53 LEU MD1 1 74 HIS H 3.650 . 5.500 5.547 5.313 5.653 0.153 2 0 "[ . 1]" 1
669 1 53 LEU MD2 1 74 HIS H 3.650 . 5.500 4.644 4.472 4.943 . 0 0 "[ . 1]" 1
670 1 53 LEU H 1 53 LEU HB2 2.760 . 3.720 2.216 2.145 2.275 . 0 0 "[ . 1]" 1
671 1 53 LEU HB3 1 54 GLY H 3.205 . 4.610 3.621 3.400 3.840 . 0 0 "[ . 1]" 1
672 1 53 LEU H 1 55 SER H 3.165 . 4.530 3.923 3.731 4.118 . 0 0 "[ . 1]" 1
673 1 53 LEU MD1 1 55 SER H 3.650 . 5.500 5.417 5.138 5.525 0.025 2 0 "[ . 1]" 1
674 1 53 LEU MD2 1 55 SER H 3.650 . 5.500 5.091 4.574 5.341 . 0 0 "[ . 1]" 1
675 1 53 LEU MD1 1 76 ALA H 3.650 . 4.040 3.922 3.509 4.074 0.034 7 0 "[ . 1]" 1
676 1 53 LEU HA 1 55 SER H 3.650 . 5.500 5.007 4.678 5.363 . 0 0 "[ . 1]" 1
677 1 53 LEU H 1 53 LEU QB 2.425 . 3.050 2.193 2.125 2.249 . 0 0 "[ . 1]" 1
678 1 53 LEU H 1 53 LEU MD1 2.335 . 2.870 2.696 2.528 2.800 . 0 0 "[ . 1]" 1
679 1 53 LEU H 1 55 SER QB 3.250 . 4.700 4.412 3.910 4.735 0.035 3 0 "[ . 1]" 1
680 1 53 LEU QB 1 54 GLY H 2.785 . 3.770 3.032 2.766 3.291 . 0 0 "[ . 1]" 1
681 1 53 LEU QB 1 55 SER H 2.680 . 3.560 3.341 2.857 3.551 . 0 0 "[ . 1]" 1
682 1 53 LEU QB 1 69 SER HA 3.305 . 4.810 3.275 2.723 3.492 . 0 0 "[ . 1]" 1
683 1 53 LEU MD1 1 68 GLY H 3.620 . 5.440 4.203 3.858 4.613 . 0 0 "[ . 1]" 1
684 1 53 LEU MD1 1 69 SER HA 2.625 . 3.450 3.260 3.058 3.459 0.009 3 0 "[ . 1]" 1
685 1 53 LEU MD1 1 70 ALA HA 3.620 . 5.440 5.594 5.582 5.611 0.171 3 0 "[ . 1]" 1
686 1 53 LEU MD1 1 71 TYR H 2.860 . 3.920 3.180 3.111 3.291 . 0 0 "[ . 1]" 1
687 1 53 LEU MD1 1 71 TYR HA 3.295 . 4.790 4.182 4.038 4.346 . 0 0 "[ . 1]" 1
688 1 53 LEU MD2 1 71 TYR QB 2.485 . 3.170 3.288 3.235 3.362 0.192 6 0 "[ . 1]" 1
689 1 53 LEU MD1 1 71 TYR QD 3.620 . 5.440 3.646 3.478 3.788 . 0 0 "[ . 1]" 1
690 1 53 LEU MD1 1 72 SER H 3.350 . 4.900 4.313 3.899 4.638 . 0 0 "[ . 1]" 1
691 1 53 LEU MD1 1 72 SER HA 3.105 . 4.410 4.031 3.487 4.430 0.020 7 0 "[ . 1]" 1
692 1 53 LEU MD1 1 76 ALA HA 3.485 . 5.170 4.537 4.058 4.857 . 0 0 "[ . 1]" 1
693 1 53 LEU MD1 1 80 PHE QE 3.620 . 5.440 4.902 4.530 5.336 . 0 0 "[ . 1]" 1
694 1 54 GLY H 1 55 SER H 2.650 . 3.500 2.237 2.048 2.397 . 0 0 "[ . 1]" 1
695 1 54 GLY HA2 1 66 GLY H 3.065 . 4.330 3.199 2.646 4.276 . 0 0 "[ . 1]" 1
696 1 54 GLY HA3 1 66 GLY H 3.065 . 4.330 3.624 3.131 4.334 0.004 9 0 "[ . 1]" 1
697 1 54 GLY H 1 66 GLY H 3.110 . 4.420 3.191 2.653 3.758 . 0 0 "[ . 1]" 1
698 1 54 GLY H 1 55 SER QB 3.030 . 4.260 3.818 3.563 4.265 0.005 4 0 "[ . 1]" 1
699 1 54 GLY H 1 66 GLY QA 3.570 . 5.340 3.655 3.315 4.419 . 0 0 "[ . 1]" 1
700 1 54 GLY QA 1 66 GLY H 2.795 . 3.790 2.986 2.513 3.799 0.009 5 0 "[ . 1]" 1
701 1 55 SER HB2 1 58 ALA MB 3.190 . 4.580 4.362 3.593 4.728 0.148 2 0 "[ . 1]" 1
702 1 55 SER H 1 58 ALA MB 3.605 . 5.410 3.537 2.232 4.556 . 0 0 "[ . 1]" 1
703 1 55 SER HB3 1 58 ALA MB 3.190 . 4.580 3.600 3.139 4.637 0.057 3 0 "[ . 1]" 1
704 1 55 SER H 1 58 ALA H 3.650 . 5.500 4.723 3.761 5.310 . 0 0 "[ . 1]" 1
705 1 55 SER H 1 55 SER QB 2.445 . 3.090 2.199 2.072 2.320 . 0 0 "[ . 1]" 1
706 1 55 SER QB 1 58 ALA H 2.675 . 3.550 3.417 2.968 3.652 0.102 5 0 "[ . 1]" 1
707 1 55 SER QB 1 58 ALA MB 2.805 . 3.810 3.306 3.093 3.648 . 0 0 "[ . 1]" 1
708 1 58 ALA MB 1 65 PHE QD 2.855 . 3.910 3.587 3.039 4.241 0.331 9 0 "[ . 1]" 1
709 1 58 ALA MB 1 59 LYS H 3.360 . 4.920 3.089 2.269 3.537 . 0 0 "[ . 1]" 1
710 1 58 ALA MB 1 59 LYS HA 3.120 . 4.440 4.222 4.031 4.480 0.040 9 0 "[ . 1]" 1
711 1 58 ALA MB 1 65 PHE HB2 3.650 . 5.500 5.414 4.991 5.629 0.129 10 0 "[ . 1]" 1
712 1 58 ALA H 1 59 LYS H 3.290 . 4.780 4.263 3.750 4.557 . 0 0 "[ . 1]" 1
713 1 58 ALA H 1 60 ILE H 3.650 . 5.500 5.276 4.856 5.582 0.082 1 0 "[ . 1]" 1
714 1 58 ALA MB 1 61 GLN HE22 3.155 . 4.510 2.870 1.835 3.805 . 0 0 "[ . 1]" 1
715 1 58 ALA H 1 61 GLN HE21 3.650 . 5.500 5.390 5.026 5.570 0.070 4 0 "[ . 1]" 1
716 1 58 ALA H 1 58 ALA MB 2.515 . 3.230 2.132 2.045 2.266 . 0 0 "[ . 1]" 1
717 1 58 ALA MB 1 61 GLN HE21 3.155 . 4.510 2.939 2.530 3.217 . 0 0 "[ . 1]" 1
718 1 58 ALA H 1 61 GLN HE22 3.650 . 5.500 4.866 3.884 5.576 0.076 9 0 "[ . 1]" 1
719 1 58 ALA MB 1 60 ILE H 2.495 . 3.190 2.842 2.368 3.280 0.090 5 0 "[ . 1]" 1
720 1 58 ALA H 1 61 GLN QE 3.285 . 4.770 4.483 3.761 4.901 0.131 5 0 "[ . 1]" 1
721 1 58 ALA MB 1 61 GLN QE 2.790 . 3.780 2.490 1.812 3.037 . 0 0 "[ . 1]" 1
722 1 59 LYS H 1 60 ILE H 2.965 . 4.130 2.464 2.088 3.118 . 0 0 "[ . 1]" 1
723 1 59 LYS H 1 59 LYS QB 2.605 . 3.410 2.432 2.235 2.587 . 0 0 "[ . 1]" 1
724 1 60 ILE HB 1 60 ILE MD 2.900 . 4.000 2.515 2.399 3.222 . 0 0 "[ . 1]" 1
725 1 60 ILE HA 1 60 ILE MG 2.810 . 3.820 2.541 2.355 3.221 . 0 0 "[ . 1]" 1
726 1 60 ILE HG12 1 60 ILE MG 2.810 . 3.820 2.460 2.227 3.217 . 0 0 "[ . 1]" 1
727 1 60 ILE HG13 1 60 ILE MG 2.810 . 3.820 3.062 2.402 3.219 . 0 0 "[ . 1]" 1
728 1 60 ILE MD 1 60 ILE MG 2.585 . 3.370 2.079 1.879 3.256 . 0 0 "[ . 1]" 1
729 1 60 ILE HA 1 60 ILE MD 2.810 . 3.820 3.558 2.193 3.876 0.056 2 0 "[ . 1]" 1
730 1 60 ILE MG 1 61 GLN H 3.290 . 4.780 2.847 2.407 3.303 . 0 0 "[ . 1]" 1
731 1 60 ILE MG 1 62 SER QB 3.480 . 5.160 3.288 2.167 4.525 . 0 0 "[ . 1]" 1
732 1 60 ILE MG 1 65 PHE HB2 3.650 . 5.500 4.350 1.880 5.563 0.063 8 0 "[ . 1]" 1
733 1 60 ILE MG 1 61 GLN HA 3.285 . 4.770 3.687 3.010 4.380 . 0 0 "[ . 1]" 1
734 1 60 ILE H 1 60 ILE HG13 3.205 . 4.610 3.324 2.804 4.634 0.024 7 0 "[ . 1]" 1
735 1 60 ILE H 1 60 ILE MG 2.945 . 4.090 3.745 2.505 4.016 . 0 0 "[ . 1]" 1
736 1 60 ILE H 1 60 ILE HB 2.515 . 3.230 2.868 2.335 3.427 0.197 10 0 "[ . 1]" 1
737 1 60 ILE H 1 60 ILE HG12 3.205 . 4.610 3.907 2.564 4.554 . 0 0 "[ . 1]" 1
738 1 60 ILE H 1 61 GLN H 3.650 . 5.500 3.787 2.465 4.386 . 0 0 "[ . 1]" 1
739 1 60 ILE MG 1 62 SER H 2.670 . 3.540 2.301 1.794 2.894 0.006 5 0 "[ . 1]" 1
740 1 60 ILE MD 1 62 SER H 3.650 . 5.500 4.971 3.116 5.553 0.053 4 0 "[ . 1]" 1
741 1 60 ILE H 1 60 ILE QG 2.890 . 3.980 3.051 2.524 4.072 0.092 7 0 "[ . 1]" 1
742 1 60 ILE HA 1 60 ILE QG 2.645 . 3.490 2.455 2.270 2.913 . 0 0 "[ . 1]" 1
743 1 60 ILE HA 1 61 GLN QE 2.980 . 4.160 3.970 3.538 4.331 0.171 5 0 "[ . 1]" 1
744 1 60 ILE QG 1 60 ILE MG 2.435 . 3.070 2.308 2.094 2.356 . 0 0 "[ . 1]" 1
745 1 61 GLN HA 1 61 GLN QG 2.600 . 3.400 2.795 2.263 3.303 . 0 0 "[ . 1]" 1
746 1 61 GLN HA 1 65 PHE HB2 2.960 . 4.120 3.500 2.257 4.263 0.143 9 0 "[ . 1]" 1
747 1 61 GLN H 1 61 GLN QG 3.650 . 5.500 2.971 2.393 3.927 . 0 0 "[ . 1]" 1
748 1 61 GLN HA 1 65 PHE QD 2.685 . 3.570 2.977 2.194 3.789 0.219 9 0 "[ . 1]" 1
749 1 61 GLN QG 1 62 SER H 3.325 . 4.850 4.680 4.274 4.909 0.059 8 0 "[ . 1]" 1
750 1 61 GLN H 1 62 SER H 3.035 . 4.270 3.097 2.372 3.870 . 0 0 "[ . 1]" 1
751 1 61 GLN HA 1 61 GLN QB 2.220 . 2.640 2.370 2.266 2.462 . 0 0 "[ . 1]" 1
752 1 61 GLN HA 1 61 GLN QE 2.950 . 4.100 3.114 1.774 4.140 0.040 9 0 "[ . 1]" 1
753 1 61 GLN QB 1 61 GLN QE 2.985 . 4.170 3.364 2.871 3.758 . 0 0 "[ . 1]" 1
754 1 61 GLN QB 1 62 SER H 3.010 . 4.220 3.748 3.402 3.918 . 0 0 "[ . 1]" 1
755 1 61 GLN QB 1 65 PHE HB2 3.570 . 5.340 4.411 3.661 5.358 0.018 7 0 "[ . 1]" 1
756 1 62 SER H 1 65 PHE HB3 3.650 . 5.500 4.752 3.609 5.563 0.063 5 0 "[ . 1]" 1
757 1 62 SER H 1 65 PHE HB2 3.200 . 4.600 3.332 2.208 4.339 . 0 0 "[ . 1]" 1
758 1 63 GLY QA 1 64 ILE MG 3.570 . 5.340 4.165 3.918 4.789 . 0 0 "[ . 1]" 1
759 1 63 GLY QA 1 65 PHE H 3.005 . 4.210 3.320 2.940 3.521 . 0 0 "[ . 1]" 1
760 1 64 ILE H 1 64 ILE MD 3.250 . 4.700 4.056 3.514 4.582 . 0 0 "[ . 1]" 1
761 1 64 ILE HA 1 64 ILE MD 2.975 . 4.150 3.896 2.017 4.187 0.037 6 0 "[ . 1]" 1
762 1 64 ILE HB 1 64 ILE MD 2.905 . 4.010 2.541 2.399 3.186 . 0 0 "[ . 1]" 1
763 1 64 ILE HA 1 64 ILE MG 2.630 . 3.460 2.436 2.151 3.194 . 0 0 "[ . 1]" 1
764 1 64 ILE MD 1 64 ILE MG 2.450 . 3.100 1.912 1.854 2.038 . 0 0 "[ . 1]" 1
765 1 64 ILE HA 1 67 LYS HG2 2.795 . 3.790 2.701 1.976 3.304 . 0 0 "[ . 1]" 1
766 1 64 ILE HA 1 67 LYS HG3 2.795 . 3.790 2.535 1.997 3.813 0.023 4 0 "[ . 1]" 1
767 1 64 ILE MG 1 68 GLY H 3.650 . 5.500 5.038 4.735 5.608 0.108 8 0 "[ . 1]" 1
768 1 64 ILE HB 1 67 LYS H 3.650 . 5.500 4.322 3.647 5.699 0.199 9 0 "[ . 1]" 1
769 1 64 ILE H 1 64 ILE MG 2.945 . 4.090 2.878 1.852 4.149 0.059 7 0 "[ . 1]" 1
770 1 64 ILE H 1 64 ILE HG12 3.300 . 4.800 2.964 1.835 4.616 . 0 0 "[ . 1]" 1
771 1 64 ILE MG 1 65 PHE H 3.345 . 4.890 4.014 2.903 4.509 . 0 0 "[ . 1]" 1
772 1 64 ILE H 1 64 ILE HG13 3.300 . 4.800 3.596 2.389 4.558 . 0 0 "[ . 1]" 1
773 1 64 ILE H 1 65 PHE H 3.075 . 4.350 2.783 2.130 3.188 . 0 0 "[ . 1]" 1
774 1 64 ILE MG 1 67 LYS H 3.065 . 4.330 4.289 3.760 4.455 0.125 10 0 "[ . 1]" 1
775 1 64 ILE H 1 64 ILE QG 2.945 . 4.090 2.788 1.787 4.009 0.013 1 0 "[ . 1]" 1
776 1 64 ILE HA 1 67 LYS QG 2.545 . 3.290 2.225 1.824 2.828 . 0 0 "[ . 1]" 1
777 1 64 ILE MG 1 67 LYS QG 2.660 . 3.520 3.013 1.981 3.662 0.142 8 0 "[ . 1]" 1
778 1 64 ILE QG 1 65 PHE H 3.545 . 5.290 3.866 3.158 4.479 . 0 0 "[ . 1]" 1
779 1 65 PHE H 1 65 PHE HB2 2.360 . 2.920 2.420 2.073 2.839 . 0 0 "[ . 1]" 1
780 1 65 PHE HA 1 65 PHE QD 2.940 . 4.080 2.701 2.169 3.014 . 0 0 "[ . 1]" 1
781 1 65 PHE H 1 66 GLY H 3.255 . 4.710 4.255 4.115 4.322 . 0 0 "[ . 1]" 1
782 1 65 PHE QD 1 66 GLY H 3.610 . 5.420 3.980 3.617 4.575 . 0 0 "[ . 1]" 1
783 1 65 PHE HB3 1 66 GLY H 3.240 . 4.680 4.110 3.473 4.359 . 0 0 "[ . 1]" 1
784 1 65 PHE HA 1 66 GLY H 2.400 . 3.000 2.092 2.037 2.162 . 0 0 "[ . 1]" 1
785 1 65 PHE H 1 65 PHE HB3 2.815 . 3.830 2.914 2.533 3.569 . 0 0 "[ . 1]" 1
786 1 65 PHE H 1 67 LYS H 3.650 . 5.500 4.500 4.252 4.961 . 0 0 "[ . 1]" 1
787 1 65 PHE QD 1 67 LYS H 3.650 . 5.500 5.501 5.273 5.566 0.066 8 0 "[ . 1]" 1
788 1 66 GLY H 1 67 LYS QB 3.300 . 4.800 4.531 3.994 4.814 0.014 9 0 "[ . 1]" 1
789 1 66 GLY H 1 68 GLY H 3.410 . 5.020 3.851 3.522 4.065 . 0 0 "[ . 1]" 1
790 1 66 GLY H 1 67 LYS H 2.930 . 4.060 2.459 2.227 2.673 . 0 0 "[ . 1]" 1
791 1 66 GLY H 1 66 GLY QA 2.190 . 2.580 2.229 2.195 2.292 . 0 0 "[ . 1]" 1
792 1 67 LYS H 1 67 LYS HG2 3.025 . 4.250 3.228 2.709 4.091 . 0 0 "[ . 1]" 1
793 1 67 LYS QB 1 68 GLY H 2.845 . 3.890 3.028 2.185 3.717 . 0 0 "[ . 1]" 1
794 1 67 LYS H 1 68 GLY H 2.475 . 3.150 2.327 1.834 2.886 . 0 0 "[ . 1]" 1
795 1 67 LYS H 1 67 LYS HG3 3.025 . 4.250 3.803 2.214 4.333 0.083 5 0 "[ . 1]" 1
796 1 67 LYS H 1 67 LYS QB 2.490 . 3.180 2.448 2.002 2.695 . 0 0 "[ . 1]" 1
797 1 67 LYS H 1 67 LYS QG 2.715 . 3.630 2.906 2.198 3.724 0.094 4 0 "[ . 1]" 1
798 1 67 LYS HA 1 67 LYS QD 3.230 . 4.660 2.676 1.899 3.841 . 0 0 "[ . 1]" 1
799 1 67 LYS QG 1 68 GLY H 3.570 . 5.340 4.259 3.328 4.841 . 0 0 "[ . 1]" 1
800 1 68 GLY HA2 1 71 TYR QD 3.255 . 4.710 3.176 2.571 4.466 . 0 0 "[ . 1]" 1
801 1 68 GLY H 1 69 SER H 3.155 . 4.510 2.891 2.326 3.868 . 0 0 "[ . 1]" 1
802 1 68 GLY HA3 1 71 TYR QD 3.255 . 4.710 3.101 2.459 3.638 . 0 0 "[ . 1]" 1
803 1 68 GLY QA 1 69 SER HA 3.395 . 4.990 4.127 4.013 4.164 . 0 0 "[ . 1]" 1
804 1 68 GLY QA 1 71 TYR H 3.560 . 5.320 3.852 3.587 4.311 . 0 0 "[ . 1]" 1
805 1 68 GLY QA 1 71 TYR QD 2.955 . 4.110 2.753 2.326 3.143 . 0 0 "[ . 1]" 1
806 1 69 SER HA 1 70 ALA MB 3.650 . 5.500 4.867 4.824 4.908 . 0 0 "[ . 1]" 1
807 1 69 SER HA 1 71 TYR H 2.990 . 4.180 3.360 3.209 3.571 . 0 0 "[ . 1]" 1
808 1 69 SER H 1 70 ALA H 2.670 . 3.540 2.684 2.452 2.798 . 0 0 "[ . 1]" 1
809 1 69 SER H 1 71 TYR H 3.015 . 4.230 4.290 4.250 4.339 0.109 9 0 "[ . 1]" 1
810 1 69 SER H 1 69 SER QB 2.725 . 3.650 2.439 2.240 2.768 . 0 0 "[ . 1]" 1
811 1 69 SER QB 1 70 ALA H 2.950 . 4.100 3.476 3.345 3.863 . 0 0 "[ . 1]" 1
812 1 69 SER QB 1 71 TYR H 3.570 . 5.340 4.585 4.454 4.729 . 0 0 "[ . 1]" 1
813 1 70 ALA MB 1 71 TYR H 2.750 . 3.700 3.314 3.225 3.359 . 0 0 "[ . 1]" 1
814 1 70 ALA H 1 71 TYR H 2.585 . 3.370 2.211 2.094 2.342 . 0 0 "[ . 1]" 1
815 1 70 ALA H 1 70 ALA MB 2.420 . 3.040 2.375 2.346 2.402 . 0 0 "[ . 1]" 1
816 1 70 ALA MB 1 71 TYR QD 3.385 . 4.970 3.362 2.942 3.925 . 0 0 "[ . 1]" 1
817 1 70 ALA HA 1 71 TYR QB 3.570 . 5.340 5.106 5.057 5.155 . 0 0 "[ . 1]" 1
818 1 71 TYR HA 1 72 SER HB3 3.550 . 5.300 4.660 4.469 4.762 . 0 0 "[ . 1]" 1
819 1 71 TYR QE 1 79 LEU MD1 3.510 . 4.340 2.487 2.117 2.733 . 0 0 "[ . 1]" 1
820 1 71 TYR QD 1 76 ALA MB 3.160 . 4.520 3.175 2.779 3.586 . 0 0 "[ . 1]" 1
821 1 71 TYR HB2 1 76 ALA MB 2.910 . 4.020 2.972 2.793 3.296 . 0 0 "[ . 1]" 1
822 1 71 TYR HA 1 72 SER HB2 3.550 . 5.300 4.626 4.534 4.759 . 0 0 "[ . 1]" 1
823 1 71 TYR QD 1 76 ALA HA 3.110 . 4.420 2.957 2.531 3.350 . 0 0 "[ . 1]" 1
824 1 71 TYR HB3 1 76 ALA MB 2.910 . 4.020 2.519 2.058 3.178 . 0 0 "[ . 1]" 1
825 1 71 TYR HA 1 71 TYR QD 3.340 . 4.880 3.135 3.035 3.222 . 0 0 "[ . 1]" 1
826 1 71 TYR H 1 71 TYR QE 3.565 . 5.330 4.877 4.698 5.038 . 0 0 "[ . 1]" 1
827 1 71 TYR HB2 1 72 SER H 3.340 . 4.880 3.988 3.687 4.129 . 0 0 "[ . 1]" 1
828 1 71 TYR H 1 72 SER H 3.240 . 4.680 4.466 4.378 4.524 . 0 0 "[ . 1]" 1
829 1 71 TYR QD 1 72 SER H 3.590 . 5.380 3.906 3.447 4.224 . 0 0 "[ . 1]" 1
830 1 71 TYR H 1 71 TYR HB2 2.750 . 3.700 2.333 2.237 2.386 . 0 0 "[ . 1]" 1
831 1 71 TYR H 1 71 TYR HB3 2.750 . 3.700 3.573 3.511 3.598 . 0 0 "[ . 1]" 1
832 1 71 TYR H 1 71 TYR QD 2.650 . 3.500 2.592 2.380 2.791 . 0 0 "[ . 1]" 1
833 1 71 TYR HB3 1 72 SER H 3.340 . 4.880 2.835 2.354 3.077 . 0 0 "[ . 1]" 1
834 1 71 TYR HA 1 72 SER H 2.445 . 3.090 2.237 2.101 2.364 . 0 0 "[ . 1]" 1
835 1 71 TYR QD 1 76 ALA H 3.080 . 4.360 3.290 3.100 3.672 . 0 0 "[ . 1]" 1
836 1 71 TYR HA 1 76 ALA H 3.620 . 5.440 5.061 4.674 5.390 . 0 0 "[ . 1]" 1
837 1 71 TYR QD 1 77 GLU H 3.650 . 5.500 5.503 5.448 5.547 0.047 3 0 "[ . 1]" 1
838 1 71 TYR QE 1 79 LEU MD2 3.510 . 5.220 4.771 3.249 5.266 0.046 5 0 "[ . 1]" 1
839 1 71 TYR H 1 71 TYR QB 2.515 . 3.230 2.304 2.213 2.354 . 0 0 "[ . 1]" 1
840 1 71 TYR HA 1 75 ASN QB 2.985 . 4.170 3.578 2.807 4.236 0.066 9 0 "[ . 1]" 1
841 1 71 TYR QB 1 72 SER H 2.980 . 4.160 2.776 2.328 2.997 . 0 0 "[ . 1]" 1
842 1 71 TYR QB 1 76 ALA H 3.045 . 4.290 2.927 2.523 3.191 . 0 0 "[ . 1]" 1
843 1 71 TYR QB 1 76 ALA MB 2.645 . 3.490 2.380 2.010 2.881 . 0 0 "[ . 1]" 1
844 1 71 TYR QD 1 79 LEU MD1 3.620 . 5.440 3.905 3.493 4.169 . 0 0 "[ . 1]" 1
845 1 72 SER H 1 75 ASN H 3.650 . 5.500 3.758 3.291 4.274 . 0 0 "[ . 1]" 1
846 1 72 SER H 1 76 ALA H 3.550 . 5.300 4.067 3.655 4.484 . 0 0 "[ . 1]" 1
847 1 72 SER HA 1 76 ALA H 3.650 . 5.500 5.173 4.899 5.536 0.036 5 0 "[ . 1]" 1
848 1 72 SER H 1 76 ALA MB 3.400 . 5.000 4.658 4.281 5.021 0.021 4 0 "[ . 1]" 1
849 1 72 SER H 1 72 SER QB 2.155 . 2.510 2.298 2.229 2.380 . 0 0 "[ . 1]" 1
850 1 72 SER H 1 75 ASN QB 3.445 . 5.090 2.578 1.997 3.512 . 0 0 "[ . 1]" 1
851 1 72 SER QB 1 75 ASN H 3.180 . 4.560 2.851 2.577 3.039 . 0 0 "[ . 1]" 1
852 1 73 ARG QB 1 74 HIS H 2.645 . 3.490 2.786 2.354 3.572 0.082 5 0 "[ . 1]" 1
853 1 74 HIS H 1 74 HIS HB2 2.725 . 3.650 2.560 2.326 2.758 . 0 0 "[ . 1]" 1
854 1 74 HIS H 1 75 ASN H 2.825 . 3.850 2.529 2.270 3.078 . 0 0 "[ . 1]" 1
855 1 74 HIS H 1 76 ALA MB 3.650 . 5.500 4.811 4.457 5.058 . 0 0 "[ . 1]" 1
856 1 74 HIS HA 1 76 ALA H 3.650 . 5.500 4.478 4.125 4.991 . 0 0 "[ . 1]" 1
857 1 74 HIS H 1 74 HIS HB3 2.725 . 3.650 2.957 2.298 3.700 0.050 9 0 "[ . 1]" 1
858 1 74 HIS HA 1 77 GLU H 3.205 . 4.610 3.415 2.982 4.254 . 0 0 "[ . 1]" 1
859 1 74 HIS H 1 76 ALA H 3.105 . 4.410 4.138 3.958 4.310 . 0 0 "[ . 1]" 1
860 1 74 HIS H 1 74 HIS HD2 3.475 . 5.150 4.623 3.552 5.209 0.059 6 0 "[ . 1]" 1
861 1 74 HIS QB 1 75 ASN H 2.820 . 3.840 2.908 2.304 3.315 . 0 0 "[ . 1]" 1
862 1 74 HIS QB 1 76 ALA H 3.570 . 5.340 4.900 4.443 5.097 . 0 0 "[ . 1]" 1
863 1 75 ASN HA 1 78 ARG QB 2.860 . 3.920 2.593 2.053 3.209 . 0 0 "[ . 1]" 1
864 1 75 ASN H 1 78 ARG QB 3.620 . 5.440 4.856 4.366 5.422 . 0 0 "[ . 1]" 1
865 1 75 ASN HB3 1 76 ALA H 3.235 . 4.670 3.616 3.436 3.903 . 0 0 "[ . 1]" 1
866 1 75 ASN H 1 75 ASN HB3 3.000 . 4.200 3.633 3.559 3.731 . 0 0 "[ . 1]" 1
867 1 75 ASN H 1 76 ALA H 2.775 . 3.750 2.437 2.241 2.773 . 0 0 "[ . 1]" 1
868 1 75 ASN HB2 1 76 ALA H 3.235 . 4.670 2.596 2.119 3.495 . 0 0 "[ . 1]" 1
869 1 75 ASN H 1 75 ASN HB2 3.000 . 4.200 2.524 2.372 2.757 . 0 0 "[ . 1]" 1
870 1 75 ASN H 1 75 ASN QB 2.580 . 3.360 2.479 2.342 2.688 . 0 0 "[ . 1]" 1
871 1 75 ASN QB 1 76 ALA H 2.845 . 3.890 2.526 2.101 3.215 . 0 0 "[ . 1]" 1
872 1 75 ASN HA 1 78 ARG H 3.650 . 5.500 3.206 2.661 3.745 . 0 0 "[ . 1]" 1
873 1 76 ALA MB 1 77 GLU QG 2.940 . 4.080 3.441 3.155 4.112 0.032 2 0 "[ . 1]" 1
874 1 76 ALA HA 1 79 LEU HB2 3.395 . 4.990 3.045 2.651 3.511 . 0 0 "[ . 1]" 1
875 1 76 ALA HA 1 79 LEU H 2.815 . 3.830 3.441 3.203 3.743 . 0 0 "[ . 1]" 1
876 1 76 ALA H 1 76 ALA MB 2.595 . 3.390 2.206 2.180 2.228 . 0 0 "[ . 1]" 1
877 1 76 ALA H 1 77 GLU H 2.850 . 3.900 2.701 2.547 2.836 . 0 0 "[ . 1]" 1
878 1 76 ALA MB 1 77 GLU H 2.705 . 3.610 2.465 2.323 2.559 . 0 0 "[ . 1]" 1
879 1 76 ALA MB 1 78 ARG H 3.145 . 4.490 4.353 4.167 4.446 . 0 0 "[ . 1]" 1
880 1 76 ALA H 1 78 ARG H 3.520 . 5.240 3.947 3.715 4.123 . 0 0 "[ . 1]" 1
881 1 76 ALA MB 1 80 PHE QE 3.315 . 4.830 2.662 2.205 2.938 . 0 0 "[ . 1]" 1
882 1 76 ALA MB 1 80 PHE QD 3.650 . 5.500 3.344 2.792 3.655 . 0 0 "[ . 1]" 1
883 1 76 ALA MB 1 80 PHE HZ 3.650 . 5.500 4.665 4.049 5.034 . 0 0 "[ . 1]" 1
884 1 76 ALA HA 1 79 LEU MD1 2.910 . 4.020 3.380 2.896 4.025 0.005 8 0 "[ . 1]" 1
885 1 77 GLU HA 1 77 GLU QG 2.715 . 3.630 2.499 2.168 3.426 . 0 0 "[ . 1]" 1
886 1 77 GLU HB2 1 77 GLU QG 2.285 . 2.770 2.351 2.230 2.478 . 0 0 "[ . 1]" 1
887 1 77 GLU HB3 1 77 GLU QG 2.285 . 2.770 2.311 2.128 2.421 . 0 0 "[ . 1]" 1
888 1 77 GLU HA 1 80 PHE QD 2.895 . 3.990 2.690 2.155 3.221 . 0 0 "[ . 1]" 1
889 1 77 GLU HA 1 80 PHE HB2 2.815 . 3.830 2.906 2.393 3.405 . 0 0 "[ . 1]" 1
890 1 77 GLU HA 1 80 PHE H 2.920 . 4.040 3.420 2.891 3.781 . 0 0 "[ . 1]" 1
891 1 77 GLU H 1 77 GLU HB2 2.895 . 3.990 2.605 2.402 3.623 . 0 0 "[ . 1]" 1
892 1 77 GLU H 1 77 GLU QG 2.780 . 3.760 2.305 2.092 2.676 . 0 0 "[ . 1]" 1
893 1 77 GLU H 1 78 ARG H 2.780 . 3.760 2.688 2.449 2.788 . 0 0 "[ . 1]" 1
894 1 77 GLU QG 1 78 ARG H 3.375 . 4.950 4.043 2.509 4.488 . 0 0 "[ . 1]" 1
895 1 77 GLU H 1 77 GLU HB3 2.895 . 3.990 3.510 2.547 3.683 . 0 0 "[ . 1]" 1
896 1 77 GLU H 1 79 LEU H 3.275 . 4.750 4.073 3.909 4.173 . 0 0 "[ . 1]" 1
897 1 77 GLU H 1 77 GLU QB 2.585 . 3.370 2.455 2.368 2.543 . 0 0 "[ . 1]" 1
898 1 77 GLU QB 1 77 GLU QG 2.050 . 2.300 2.069 2.012 2.084 . 0 0 "[ . 1]" 1
899 1 77 GLU QB 1 78 ARG H 2.650 . 3.500 2.880 2.495 3.631 0.131 2 0 "[ . 1]" 1
900 1 78 ARG QB 1 79 LEU HA 3.060 . 4.320 3.987 3.538 4.253 . 0 0 "[ . 1]" 1
901 1 78 ARG QB 1 80 PHE H 3.650 . 5.500 4.959 4.760 5.082 . 0 0 "[ . 1]" 1
902 1 78 ARG QG 1 79 LEU H 3.185 . 4.570 4.047 3.552 4.439 . 0 0 "[ . 1]" 1
903 1 78 ARG H 1 78 ARG QB 2.550 . 3.300 2.339 2.198 2.695 . 0 0 "[ . 1]" 1
904 1 78 ARG H 1 78 ARG QG 2.890 . 3.980 3.257 2.055 4.007 0.027 9 0 "[ . 1]" 1
905 1 78 ARG H 1 80 PHE HB2 3.630 . 5.460 5.375 5.090 5.511 0.051 5 0 "[ . 1]" 1
906 1 78 ARG H 1 79 LEU HB2 3.650 . 5.500 4.306 4.131 4.453 . 0 0 "[ . 1]" 1
907 1 78 ARG H 1 79 LEU H 2.850 . 3.900 2.389 2.203 2.518 . 0 0 "[ . 1]" 1
908 1 78 ARG QB 1 79 LEU H 2.820 . 3.840 2.803 2.548 3.069 . 0 0 "[ . 1]" 1
909 1 78 ARG H 1 79 LEU MD1 3.620 . 5.440 5.572 5.513 5.650 0.210 8 0 "[ . 1]" 1
910 1 78 ARG QB 1 79 LEU MD1 3.620 . 5.440 5.056 4.570 5.438 . 0 0 "[ . 1]" 1
911 1 78 ARG HA 1 81 LYS H 2.920 . 4.040 3.524 3.045 3.897 . 0 0 "[ . 1]" 1
912 1 79 LEU HA 1 82 LYS QB 3.150 . 4.500 2.528 2.162 3.378 . 0 0 "[ . 1]" 1
913 1 79 LEU HA 1 123 PHE QD 3.050 . 4.300 3.049 2.795 3.338 . 0 0 "[ . 1]" 1
914 1 79 LEU HA 1 79 LEU MD1 3.275 . 3.570 3.373 2.093 3.593 0.023 3 0 "[ . 1]" 1
915 1 79 LEU MD1 1 80 PHE H 3.635 . 4.500 4.086 4.011 4.219 . 0 0 "[ . 1]" 1
916 1 79 LEU HB3 1 79 LEU MD1 2.795 . 3.790 2.182 2.058 3.027 . 0 0 "[ . 1]" 1
917 1 79 LEU H 1 79 LEU MD2 3.330 . 4.860 4.223 4.121 4.278 . 0 0 "[ . 1]" 1
918 1 79 LEU HA 1 79 LEU MD2 3.275 . 4.750 2.764 1.995 3.812 . 0 0 "[ . 1]" 1
919 1 79 LEU HB3 1 79 LEU MD2 2.795 . 3.790 2.347 2.132 2.486 . 0 0 "[ . 1]" 1
920 1 79 LEU MD1 1 83 LEU H 3.650 . 5.500 5.479 4.862 5.579 0.079 1 0 "[ . 1]" 1
921 1 79 LEU MD2 1 83 LEU H 3.650 . 5.500 3.418 3.115 5.484 . 0 0 "[ . 1]" 1
922 1 79 LEU HB2 1 80 PHE H 2.975 . 4.150 3.387 3.025 3.609 . 0 0 "[ . 1]" 1
923 1 79 LEU H 1 80 PHE HB2 3.275 . 4.750 4.593 4.383 4.770 0.020 8 0 "[ . 1]" 1
924 1 79 LEU H 1 79 LEU HB3 2.670 . 3.540 2.677 2.459 3.015 . 0 0 "[ . 1]" 1
925 1 79 LEU H 1 79 LEU MD1 3.330 . 3.850 3.855 3.787 3.893 0.043 8 0 "[ . 1]" 1
926 1 79 LEU MD2 1 80 PHE H 3.635 . 5.470 3.568 3.246 4.015 . 0 0 "[ . 1]" 1
927 1 79 LEU H 1 80 PHE QD 3.035 . 4.270 4.203 3.944 4.320 0.050 5 0 "[ . 1]" 1
928 1 79 LEU H 1 80 PHE H 2.835 . 3.870 2.532 2.390 2.770 . 0 0 "[ . 1]" 1
929 1 79 LEU MD1 1 82 LYS H 3.650 . 5.500 5.547 4.813 5.678 0.178 5 0 "[ . 1]" 1
930 1 79 LEU MD2 1 82 LYS H 3.650 . 5.500 4.067 3.650 5.698 0.198 8 0 "[ . 1]" 1
931 1 79 LEU HB2 1 81 LYS H 3.650 . 5.500 4.925 4.695 5.304 . 0 0 "[ . 1]" 1
932 1 79 LEU HG 1 81 LYS H 3.650 . 5.500 5.598 5.082 5.736 0.236 9 0 "[ . 1]" 1
933 1 79 LEU H 1 79 LEU HB2 2.710 . 3.620 2.217 2.013 2.423 . 0 0 "[ . 1]" 1
934 1 79 LEU HA 1 82 LYS H 3.055 . 4.310 2.966 2.818 3.477 . 0 0 "[ . 1]" 1
935 1 79 LEU HB3 1 80 PHE H 2.450 . 3.100 2.275 1.941 2.383 . 0 0 "[ . 1]" 1
936 1 79 LEU HB3 1 80 PHE QD 3.650 . 5.500 3.621 3.207 3.963 . 0 0 "[ . 1]" 1
937 1 79 LEU HB3 1 83 LEU MD1 3.510 . 5.220 3.921 3.667 4.169 . 0 0 "[ . 1]" 1
938 1 79 LEU MD1 1 80 PHE HA 3.515 . 5.230 4.929 4.732 5.110 . 0 0 "[ . 1]" 1
939 1 79 LEU MD1 1 80 PHE QE 3.620 . 5.440 4.741 4.361 5.384 . 0 0 "[ . 1]" 1
940 1 79 LEU MD1 1 80 PHE QD 3.540 . 5.280 4.693 4.341 5.200 . 0 0 "[ . 1]" 1
941 1 79 LEU MD1 1 81 LYS H 3.620 . 5.440 5.622 5.513 5.708 0.268 4 0 "[ . 1]" 1
942 1 79 LEU MD1 1 82 LYS QB 3.250 . 4.700 4.592 4.013 4.794 0.094 9 0 "[ . 1]" 1
943 1 79 LEU MD1 1 83 LEU HG 3.575 . 5.350 4.675 4.418 5.492 0.142 9 0 "[ . 1]" 1
944 1 79 LEU MD1 1 83 LEU MD1 2.720 . 3.640 3.600 2.847 3.795 0.155 1 0 "[ . 1]" 1
945 1 79 LEU MD2 1 121 VAL MG2 3.285 . 4.770 3.460 2.541 4.819 0.049 8 0 "[ . 1]" 1
946 1 79 LEU MD2 1 123 PHE QB 2.810 . 3.820 3.616 2.731 3.999 0.179 8 0 "[ . 1]" 1
947 1 79 LEU MD1 1 123 PHE QD 2.870 . 3.940 3.104 2.607 3.676 . 0 0 "[ . 1]" 1
948 1 79 LEU MD1 1 124 MET H 3.620 . 5.440 5.422 5.038 5.548 0.108 10 0 "[ . 1]" 1
949 1 80 PHE QD 1 89 LEU HG 3.465 . 5.130 3.423 2.048 4.730 . 0 0 "[ . 1]" 1
950 1 80 PHE HA 1 83 LEU MD1 3.135 . 3.780 2.201 1.849 3.821 0.041 9 0 "[ . 1]" 1
951 1 80 PHE HA 1 83 LEU HB2 2.915 . 4.030 2.427 2.155 2.608 . 0 0 "[ . 1]" 1
952 1 80 PHE HA 1 83 LEU HG 3.200 . 4.600 3.383 2.660 4.690 0.090 8 0 "[ . 1]" 1
953 1 80 PHE HA 1 83 LEU H 2.775 . 3.750 3.291 3.142 3.481 . 0 0 "[ . 1]" 1
954 1 80 PHE HA 1 89 LEU HG 3.245 . 4.690 4.125 3.204 4.697 0.007 7 0 "[ . 1]" 1
955 1 80 PHE HA 1 80 PHE QD 3.360 . 4.920 2.796 2.513 3.038 . 0 0 "[ . 1]" 1
956 1 80 PHE HA 1 83 LEU MD2 3.135 . 4.470 4.021 2.337 4.496 0.026 5 0 "[ . 1]" 1
957 1 80 PHE H 1 80 PHE HB2 2.505 . 3.210 2.428 2.381 2.485 . 0 0 "[ . 1]" 1
958 1 80 PHE H 1 82 LYS QB 3.650 . 5.500 4.920 4.676 5.405 . 0 0 "[ . 1]" 1
959 1 80 PHE H 1 83 LEU HB2 3.650 . 5.500 5.001 4.361 5.167 . 0 0 "[ . 1]" 1
960 1 80 PHE H 1 81 LYS H 2.725 . 3.650 2.495 2.440 2.616 . 0 0 "[ . 1]" 1
961 1 80 PHE QD 1 81 LYS H 3.480 . 5.160 4.411 4.267 4.526 . 0 0 "[ . 1]" 1
962 1 80 PHE H 1 80 PHE QD 2.800 . 3.800 2.538 2.236 2.760 . 0 0 "[ . 1]" 1
963 1 80 PHE HB2 1 81 LYS H 2.805 . 3.810 3.100 2.884 3.234 . 0 0 "[ . 1]" 1
964 1 80 PHE HB2 1 82 LYS H 3.515 . 5.230 5.167 5.067 5.272 0.042 9 0 "[ . 1]" 1
965 1 80 PHE H 1 80 PHE QE 3.650 . 5.500 4.447 4.272 4.576 . 0 0 "[ . 1]" 1
966 1 80 PHE QD 1 83 LEU MD2 3.550 . 5.300 4.883 2.911 5.340 0.040 1 0 "[ . 1]" 1
967 1 81 LYS H 1 81 LYS QB 2.250 . 2.700 2.495 2.317 2.664 . 0 0 "[ . 1]" 1
968 1 81 LYS QB 1 82 LYS H 2.440 . 3.080 3.039 2.937 3.107 0.027 10 0 "[ . 1]" 1
969 1 81 LYS HA 1 84 ILE MD 3.310 . 4.820 3.167 2.890 3.418 . 0 0 "[ . 1]" 1
970 1 81 LYS HA 1 84 ILE MG 2.805 . 3.810 3.356 3.125 3.760 . 0 0 "[ . 1]" 1
971 1 81 LYS HA 1 83 LEU H 3.595 . 5.390 4.243 4.100 4.394 . 0 0 "[ . 1]" 1
972 1 81 LYS HA 1 81 LYS HG2 2.705 . 3.610 2.691 2.353 3.209 . 0 0 "[ . 1]" 1
973 1 81 LYS HA 1 81 LYS QD 2.915 . 4.030 2.952 1.882 4.043 0.013 1 0 "[ . 1]" 1
974 1 81 LYS HA 1 84 ILE HB 3.650 . 5.500 4.767 4.547 4.942 . 0 0 "[ . 1]" 1
975 1 81 LYS HA 1 81 LYS HG3 2.705 . 3.610 3.342 2.728 3.699 0.089 7 0 "[ . 1]" 1
976 1 81 LYS HA 1 81 LYS QB 2.190 . 2.580 2.417 2.346 2.497 . 0 0 "[ . 1]" 1
977 1 81 LYS H 1 81 LYS HG2 2.955 . 4.110 3.322 2.568 4.127 0.017 2 0 "[ . 1]" 1
978 1 81 LYS H 1 84 ILE H 3.650 . 5.500 4.579 4.448 4.777 . 0 0 "[ . 1]" 1
979 1 81 LYS H 1 82 LYS H 2.740 . 3.680 2.298 2.161 2.620 . 0 0 "[ . 1]" 1
980 1 81 LYS HA 1 84 ILE H 3.070 . 4.340 3.073 2.883 3.330 . 0 0 "[ . 1]" 1
981 1 81 LYS H 1 81 LYS HG3 2.955 . 4.110 3.543 2.715 4.143 0.033 9 0 "[ . 1]" 1
982 1 81 LYS H 1 81 LYS QG 2.560 . 3.320 2.797 2.540 3.178 . 0 0 "[ . 1]" 1
983 1 81 LYS H 1 83 LEU MD1 3.620 . 5.440 4.781 4.453 5.121 . 0 0 "[ . 1]" 1
984 1 81 LYS HA 1 81 LYS QG 2.380 . 2.960 2.570 2.237 3.025 0.065 7 0 "[ . 1]" 1
985 1 82 LYS HA 1 82 LYS QD 3.365 . 4.930 3.157 2.139 4.094 . 0 0 "[ . 1]" 1
986 1 82 LYS QB 1 82 LYS QD 2.495 . 3.190 2.262 2.100 2.416 . 0 0 "[ . 1]" 1
987 1 82 LYS H 1 82 LYS QB 2.345 . 2.890 2.233 2.108 2.415 . 0 0 "[ . 1]" 1
988 1 82 LYS QD 1 123 PHE QD 3.255 . 4.710 3.753 3.196 4.622 . 0 0 "[ . 1]" 1
989 1 82 LYS H 1 82 LYS HG2 3.345 . 4.890 4.486 4.271 4.596 . 0 0 "[ . 1]" 1
990 1 82 LYS HA 1 85 LEU H 2.835 . 3.870 3.393 3.009 3.555 . 0 0 "[ . 1]" 1
991 1 82 LYS H 1 83 LEU MD2 3.650 . 5.500 5.094 4.822 5.535 0.035 8 0 "[ . 1]" 1
992 1 82 LYS H 1 84 ILE H 3.525 . 5.250 3.950 3.828 4.137 . 0 0 "[ . 1]" 1
993 1 82 LYS H 1 123 PHE QD 3.650 . 5.500 5.307 4.999 5.595 0.095 9 0 "[ . 1]" 1
994 1 82 LYS H 1 82 LYS HG3 3.345 . 4.890 4.411 4.202 4.550 . 0 0 "[ . 1]" 1
995 1 82 LYS H 1 82 LYS QD 3.495 . 5.190 4.394 4.160 4.782 . 0 0 "[ . 1]" 1
996 1 82 LYS H 1 83 LEU MD1 3.650 . 4.720 4.601 3.475 4.825 0.105 6 0 "[ . 1]" 1
997 1 82 LYS QB 1 123 PHE QD 3.160 . 4.520 3.426 2.827 4.102 . 0 0 "[ . 1]" 1
998 1 82 LYS HA 1 82 LYS QG 2.570 . 3.340 2.751 2.278 3.232 . 0 0 "[ . 1]" 1
999 1 82 LYS HA 1 82 LYS QE 3.570 . 5.340 4.577 4.188 5.115 . 0 0 "[ . 1]" 1
1000 1 82 LYS QB 1 82 LYS QE 2.940 . 4.080 3.337 2.103 3.657 . 0 0 "[ . 1]" 1
1001 1 82 LYS QB 1 121 VAL MG2 3.175 . 4.550 4.250 3.768 4.561 0.011 9 0 "[ . 1]" 1
1002 1 82 LYS QG 1 83 LEU H 2.945 . 4.090 3.592 3.212 4.098 0.008 8 0 "[ . 1]" 1
1003 1 82 LYS QG 1 83 LEU HA 3.035 . 4.270 3.796 3.449 4.300 0.030 9 0 "[ . 1]" 1
1004 1 82 LYS QE 1 121 VAL HA 3.570 . 5.340 4.532 3.399 5.368 0.028 1 0 "[ . 1]" 1
1005 1 82 LYS QE 1 121 VAL MG2 2.825 . 3.850 3.425 2.378 3.925 0.075 5 0 "[ . 1]" 1
1006 1 82 LYS QE 1 123 PHE QD 3.570 . 5.340 4.392 3.571 5.380 0.040 6 0 "[ . 1]" 1
1007 1 83 LEU HB2 1 89 LEU HG 2.895 . 3.990 3.158 2.518 3.873 . 0 0 "[ . 1]" 1
1008 1 83 LEU HA 1 83 LEU MD2 3.215 . 4.630 2.310 1.911 3.803 . 0 0 "[ . 1]" 1
1009 1 83 LEU HA 1 88 ILE MD 3.005 . 4.210 3.280 2.053 3.672 . 0 0 "[ . 1]" 1
1010 1 83 LEU HA 1 86 ASP QB 2.910 . 4.020 2.713 2.381 3.241 . 0 0 "[ . 1]" 1
1011 1 83 LEU HB2 1 89 LEU QD 3.435 . 5.070 2.794 2.024 3.273 . 0 0 "[ . 1]" 1
1012 1 83 LEU HA 1 83 LEU MD1 3.215 . 3.440 3.412 1.929 3.689 0.249 1 0 "[ . 1]" 1
1013 1 83 LEU HB3 1 88 ILE HB 3.340 . 4.880 2.899 2.461 3.793 . 0 0 "[ . 1]" 1
1014 1 83 LEU HB3 1 89 LEU HG 3.190 . 4.580 2.825 1.841 3.760 . 0 0 "[ . 1]" 1
1015 1 83 LEU H 1 83 LEU HG 3.205 . 4.610 2.482 2.023 4.339 . 0 0 "[ . 1]" 1
1016 1 83 LEU HB2 1 88 ILE MG 3.650 . 5.500 4.497 4.163 4.907 . 0 0 "[ . 1]" 1
1017 1 83 LEU HG 1 88 ILE MG 3.650 . 5.500 4.313 2.599 4.911 . 0 0 "[ . 1]" 1
1018 1 83 LEU HG 1 89 LEU QD 2.970 . 4.140 3.926 3.196 4.092 . 0 0 "[ . 1]" 1
1019 1 83 LEU HB2 1 84 ILE H 3.650 . 5.500 2.768 2.382 3.072 . 0 0 "[ . 1]" 1
1020 1 83 LEU H 1 84 ILE MG 3.650 . 5.500 4.563 4.293 4.697 . 0 0 "[ . 1]" 1
1021 1 83 LEU H 1 83 LEU HB2 2.570 . 3.340 2.406 1.992 2.525 . 0 0 "[ . 1]" 1
1022 1 83 LEU H 1 83 LEU MD1 3.030 . 3.540 3.197 2.123 3.492 . 0 0 "[ . 1]" 1
1023 1 83 LEU HA 1 85 LEU H 3.085 . 4.370 4.248 4.162 4.386 0.016 10 0 "[ . 1]" 1
1024 1 83 LEU H 1 83 LEU MD2 3.030 . 4.260 3.362 3.100 4.037 . 0 0 "[ . 1]" 1
1025 1 83 LEU HA 1 89 LEU H 3.420 . 5.040 3.674 3.392 3.951 . 0 0 "[ . 1]" 1
1026 1 83 LEU HB2 1 89 LEU H 3.650 . 5.500 4.164 3.913 4.964 . 0 0 "[ . 1]" 1
1027 1 83 LEU HG 1 89 LEU H 3.650 . 5.500 5.335 4.086 5.603 0.103 2 0 "[ . 1]" 1
1028 1 83 LEU H 1 84 ILE H 2.830 . 3.860 2.886 2.811 2.947 . 0 0 "[ . 1]" 1
1029 1 83 LEU H 1 85 LEU H 3.155 . 4.510 4.123 4.018 4.235 . 0 0 "[ . 1]" 1
1030 1 83 LEU HA 1 86 ASP H 3.055 . 4.310 3.489 3.279 3.773 . 0 0 "[ . 1]" 1
1031 1 83 LEU HB3 1 89 LEU QB 3.570 . 5.340 2.316 1.964 2.935 . 0 0 "[ . 1]" 1
1032 1 83 LEU MD1 1 84 ILE H 3.340 . 4.880 4.463 4.220 4.572 . 0 0 "[ . 1]" 1
1033 1 83 LEU MD1 1 88 ILE HB 3.620 . 5.440 3.993 3.383 4.292 . 0 0 "[ . 1]" 1
1034 1 83 LEU MD1 1 89 LEU H 3.620 . 5.440 4.617 4.410 5.274 . 0 0 "[ . 1]" 1
1035 1 83 LEU MD2 1 89 LEU QB 3.540 . 5.280 4.052 3.766 4.653 . 0 0 "[ . 1]" 1
1036 1 83 LEU MD1 1 89 LEU HG 2.775 . 3.750 3.105 2.638 3.923 0.173 9 0 "[ . 1]" 1
1037 1 83 LEU MD2 1 89 LEU QD 2.835 . 3.870 2.677 1.965 3.725 . 0 0 "[ . 1]" 1
1038 1 84 ILE MG 1 85 LEU H 3.205 . 4.610 4.136 4.021 4.191 . 0 0 "[ . 1]" 1
1039 1 84 ILE HA 1 84 ILE HB 2.195 . 2.590 2.450 2.412 2.480 . 0 0 "[ . 1]" 1
1040 1 84 ILE HA 1 84 ILE MD 2.790 . 3.780 3.704 3.679 3.733 . 0 0 "[ . 1]" 1
1041 1 84 ILE H 1 84 ILE MD 3.040 . 4.280 3.525 3.379 3.603 . 0 0 "[ . 1]" 1
1042 1 84 ILE HA 1 84 ILE MG 2.685 . 3.570 2.352 2.296 2.391 . 0 0 "[ . 1]" 1
1043 1 84 ILE HG13 1 84 ILE MG 2.665 . 3.530 2.636 2.586 2.708 . 0 0 "[ . 1]" 1
1044 1 84 ILE HB 1 84 ILE MD 2.340 . 2.880 2.342 2.308 2.362 . 0 0 "[ . 1]" 1
1045 1 84 ILE HB 1 85 LEU H 3.095 . 4.390 4.056 3.928 4.143 . 0 0 "[ . 1]" 1
1046 1 84 ILE MD 1 85 LEU HG 2.855 . 3.910 2.594 1.946 3.877 . 0 0 "[ . 1]" 1
1047 1 84 ILE MD 1 84 ILE MG 2.515 . 3.230 3.171 3.137 3.198 . 0 0 "[ . 1]" 1
1048 1 84 ILE HG12 1 84 ILE MG 2.665 . 3.530 2.134 2.075 2.176 . 0 0 "[ . 1]" 1
1049 1 84 ILE MD 1 85 LEU H 3.535 . 5.270 2.629 2.522 2.777 . 0 0 "[ . 1]" 1
1050 1 84 ILE H 1 84 ILE HB 2.730 . 3.660 3.694 3.673 3.705 0.045 8 0 "[ . 1]" 1
1051 1 84 ILE MG 1 91 GLU H 3.165 . 4.530 2.827 2.354 3.369 . 0 0 "[ . 1]" 1
1052 1 84 ILE H 1 84 ILE MG 2.595 . 3.390 2.416 2.316 2.497 . 0 0 "[ . 1]" 1
1053 1 84 ILE H 1 86 ASP H 3.215 . 4.630 4.160 4.020 4.304 . 0 0 "[ . 1]" 1
1054 1 84 ILE H 1 85 LEU H 2.790 . 3.780 2.516 2.390 2.597 . 0 0 "[ . 1]" 1
1055 1 84 ILE HA 1 89 LEU H 2.960 . 4.120 3.011 2.910 3.156 . 0 0 "[ . 1]" 1
1056 1 84 ILE H 1 84 ILE QG 2.475 . 3.150 2.103 2.003 2.183 . 0 0 "[ . 1]" 1
1057 1 84 ILE HA 1 89 LEU QB 3.395 . 4.990 2.681 2.430 2.961 . 0 0 "[ . 1]" 1
1058 1 84 ILE MG 1 91 GLU QG 2.775 . 3.750 2.243 1.854 3.740 . 0 0 "[ . 1]" 1
1059 1 84 ILE QG 1 85 LEU H 2.660 . 3.520 2.764 2.553 2.939 . 0 0 "[ . 1]" 1
1060 1 84 ILE QG 1 89 LEU QB 3.490 . 5.180 4.161 4.051 4.317 . 0 0 "[ . 1]" 1
1061 1 84 ILE HA 1 87 LYS H 3.650 . 5.500 3.229 3.119 3.344 . 0 0 "[ . 1]" 1
1062 1 85 LEU HA 1 85 LEU HG 2.100 . 2.400 2.517 2.425 2.559 0.159 1 0 "[ . 1]" 1
1063 1 85 LEU H 1 85 LEU HG 2.955 . 4.110 3.066 2.491 4.205 0.095 2 0 "[ . 1]" 1
1064 1 85 LEU HB3 1 86 ASP H 3.050 . 4.300 3.072 2.312 3.497 . 0 0 "[ . 1]" 1
1065 1 85 LEU HG 1 86 ASP H 3.565 . 5.330 4.527 4.346 4.822 . 0 0 "[ . 1]" 1
1066 1 85 LEU H 1 86 ASP H 2.715 . 3.630 2.514 2.450 2.609 . 0 0 "[ . 1]" 1
1067 1 85 LEU HB2 1 86 ASP H 3.050 . 4.300 2.848 2.463 3.561 . 0 0 "[ . 1]" 1
1068 1 85 LEU H 1 85 LEU QB 2.260 . 2.720 2.225 2.090 2.292 . 0 0 "[ . 1]" 1
1069 1 85 LEU HA 1 85 LEU QD 2.395 . 2.990 2.245 2.002 2.767 . 0 0 "[ . 1]" 1
1070 1 85 LEU QB 1 86 ASP H 2.620 . 3.440 2.441 2.280 2.676 . 0 0 "[ . 1]" 1
1071 1 86 ASP QB 1 88 ILE MD 2.915 . 4.030 1.913 1.823 2.132 . 0 0 "[ . 1]" 1
1072 1 86 ASP H 1 88 ILE MD 3.650 . 5.500 4.222 3.817 4.430 . 0 0 "[ . 1]" 1
1073 1 86 ASP H 1 86 ASP QB 2.290 . 2.780 2.464 2.304 2.594 . 0 0 "[ . 1]" 1
1074 1 86 ASP H 1 87 LYS H 2.725 . 3.650 2.529 2.435 2.586 . 0 0 "[ . 1]" 1
1075 1 86 ASP QB 1 87 LYS H 2.815 . 3.830 2.793 2.527 3.195 . 0 0 "[ . 1]" 1
1076 1 86 ASP QB 1 88 ILE H 3.000 . 4.200 2.773 2.475 3.229 . 0 0 "[ . 1]" 1
1077 1 86 ASP H 1 89 LEU H 3.475 . 5.150 5.090 4.930 5.192 0.042 8 0 "[ . 1]" 1
1078 1 86 ASP H 1 88 ILE H 3.220 . 4.640 4.125 3.972 4.217 . 0 0 "[ . 1]" 1
1079 1 86 ASP H 1 87 LYS HA 3.235 . 4.670 4.636 4.430 4.718 0.048 4 0 "[ . 1]" 1
1080 1 87 LYS H 1 88 ILE HA 3.345 . 4.890 4.905 4.890 4.921 0.031 10 0 "[ . 1]" 1
1081 1 87 LYS QB 1 110 LYS HG2 2.845 . 3.890 2.535 1.920 3.816 . 0 0 "[ . 1]" 1
1082 1 87 LYS QB 1 110 LYS HG3 3.005 . 4.210 3.164 2.385 3.726 . 0 0 "[ . 1]" 1
1083 1 87 LYS QB 1 88 ILE HB 3.615 . 5.430 5.466 5.436 5.515 0.085 8 0 "[ . 1]" 1
1084 1 87 LYS QB 1 110 LYS HB3 3.210 . 4.620 4.669 4.438 4.763 0.143 5 0 "[ . 1]" 1
1085 1 87 LYS H 1 87 LYS HG2 3.510 . 5.220 4.637 3.576 5.258 0.038 4 0 "[ . 1]" 1
1086 1 87 LYS H 1 87 LYS HG3 3.170 . 4.540 3.932 3.116 4.444 . 0 0 "[ . 1]" 1
1087 1 87 LYS H 1 88 ILE MD 3.650 . 5.500 3.543 3.336 3.802 . 0 0 "[ . 1]" 1
1088 1 87 LYS QB 1 110 LYS QE 3.500 . 5.200 3.654 2.222 4.956 . 0 0 "[ . 1]" 1
1089 1 87 LYS HA 1 87 LYS HG3 2.325 . 2.850 2.370 2.129 2.852 0.002 6 0 "[ . 1]" 1
1090 1 87 LYS HA 1 87 LYS HG2 2.520 . 3.240 3.052 2.138 3.488 0.248 4 0 "[ . 1]" 1
1091 1 87 LYS H 1 110 LYS HB2 3.650 . 5.500 5.104 4.712 5.508 0.008 9 0 "[ . 1]" 1
1092 1 87 LYS H 1 89 LEU H 2.995 . 4.190 3.254 3.126 3.377 . 0 0 "[ . 1]" 1
1093 1 87 LYS HA 1 89 LEU H 3.000 . 4.200 3.201 2.640 3.493 . 0 0 "[ . 1]" 1
1094 1 87 LYS H 1 88 ILE H 2.780 . 3.760 2.220 2.167 2.258 . 0 0 "[ . 1]" 1
1095 1 87 LYS H 1 88 ILE HB 2.855 . 3.910 3.999 3.955 4.021 0.111 10 0 "[ . 1]" 1
1096 1 87 LYS HG2 1 109 ASN H 3.145 . 4.490 4.310 3.447 4.570 0.080 5 0 "[ . 1]" 1
1097 1 87 LYS QB 1 109 ASN H 3.265 . 4.730 3.476 2.567 4.807 0.077 4 0 "[ . 1]" 1
1098 1 87 LYS QB 1 88 ILE H 3.275 . 4.750 3.615 3.511 3.708 . 0 0 "[ . 1]" 1
1099 1 87 LYS QB 1 110 LYS H 2.885 . 3.970 2.998 2.654 3.652 . 0 0 "[ . 1]" 1
1100 1 87 LYS H 1 87 LYS QB 2.780 . 3.760 3.270 3.154 3.358 . 0 0 "[ . 1]" 1
1101 1 87 LYS H 1 89 LEU QD 3.480 . 5.160 5.311 5.228 5.376 0.216 7 0 "[ . 1]" 1
1102 1 87 LYS QB 1 109 ASN QD 3.125 . 4.450 3.510 2.042 4.449 . 0 0 "[ . 1]" 1
1103 1 87 LYS HG3 1 109 ASN QD 3.570 . 5.340 4.470 2.651 5.370 0.030 10 0 "[ . 1]" 1
1104 1 88 ILE HA 1 88 ILE MD 2.960 . 4.120 2.906 2.768 3.799 . 0 0 "[ . 1]" 1
1105 1 88 ILE HA 1 88 ILE MG 2.830 . 3.860 2.593 2.422 2.660 . 0 0 "[ . 1]" 1
1106 1 88 ILE HA 1 88 ILE HG13 3.005 . 4.210 2.420 2.369 2.638 . 0 0 "[ . 1]" 1
1107 1 88 ILE HA 1 110 LYS HB2 2.950 . 4.100 2.062 1.872 2.491 . 0 0 "[ . 1]" 1
1108 1 88 ILE HB 1 88 ILE MD 2.585 . 3.370 2.358 2.129 2.402 . 0 0 "[ . 1]" 1
1109 1 88 ILE MG 1 111 ALA HA 2.590 . 3.380 3.203 2.828 3.455 0.075 9 0 "[ . 1]" 1
1110 1 88 ILE MG 1 111 ALA MB 2.925 . 4.050 3.863 3.438 4.126 0.076 1 0 "[ . 1]" 1
1111 1 88 ILE HA 1 111 ALA MB 3.285 . 4.770 3.924 3.606 4.154 . 0 0 "[ . 1]" 1
1112 1 88 ILE HA 1 111 ALA HA 3.110 . 4.420 3.504 3.299 3.731 . 0 0 "[ . 1]" 1
1113 1 88 ILE H 1 88 ILE MG 3.435 . 5.070 3.660 3.623 3.689 . 0 0 "[ . 1]" 1
1114 1 88 ILE MD 1 88 ILE MG 2.990 . 4.180 3.150 2.300 3.254 . 0 0 "[ . 1]" 1
1115 1 88 ILE HG12 1 88 ILE MG 2.410 . 3.020 2.226 2.181 2.253 . 0 0 "[ . 1]" 1
1116 1 88 ILE MG 1 89 LEU H 3.020 . 4.240 3.132 3.011 3.314 . 0 0 "[ . 1]" 1
1117 1 88 ILE MD 1 89 LEU H 3.575 . 5.350 3.912 3.680 4.067 . 0 0 "[ . 1]" 1
1118 1 88 ILE HG13 1 110 LYS HB3 3.115 . 4.430 3.071 2.416 4.040 . 0 0 "[ . 1]" 1
1119 1 88 ILE HG13 1 110 LYS HB2 3.220 . 4.640 2.779 2.299 3.364 . 0 0 "[ . 1]" 1
1120 1 88 ILE MG 1 89 LEU QD 2.195 . 2.590 2.032 1.787 2.592 0.013 2 0 "[ . 1]" 1
1121 1 88 ILE HA 1 110 LYS HB3 2.755 . 3.710 3.382 2.858 3.707 . 0 0 "[ . 1]" 1
1122 1 88 ILE MG 1 89 LEU HG 3.650 . 5.500 3.752 2.223 4.396 . 0 0 "[ . 1]" 1
1123 1 88 ILE H 1 89 LEU H 2.670 . 3.540 2.373 2.277 2.507 . 0 0 "[ . 1]" 1
1124 1 88 ILE H 1 88 ILE HG13 2.730 . 3.660 3.530 2.043 3.707 0.047 1 0 "[ . 1]" 1
1125 1 88 ILE HA 1 110 LYS H 2.965 . 4.130 3.068 2.827 3.260 . 0 0 "[ . 1]" 1
1126 1 88 ILE H 1 110 LYS HG3 3.220 . 4.640 4.170 3.787 4.653 0.013 6 0 "[ . 1]" 1
1127 1 88 ILE HB 1 89 LEU H 2.685 . 3.570 2.532 2.154 2.700 . 0 0 "[ . 1]" 1
1128 1 88 ILE H 1 88 ILE HB 2.625 . 3.450 2.183 2.135 2.223 . 0 0 "[ . 1]" 1
1129 1 88 ILE H 1 88 ILE MD 2.140 . 2.480 2.183 2.054 2.638 0.158 10 0 "[ . 1]" 1
1130 1 88 ILE MG 1 111 ALA H 3.325 . 4.850 4.810 4.414 4.927 0.077 5 0 "[ . 1]" 1
1131 1 88 ILE HA 1 111 ALA H 2.940 . 4.080 3.595 3.137 3.874 . 0 0 "[ . 1]" 1
1132 1 88 ILE H 1 110 LYS H 3.650 . 5.500 4.589 4.516 4.670 . 0 0 "[ . 1]" 1
1133 1 88 ILE MG 1 110 LYS H 3.650 . 5.500 5.077 4.868 5.245 . 0 0 "[ . 1]" 1
1134 1 88 ILE HG13 1 110 LYS H 3.650 . 5.500 4.921 4.605 5.120 . 0 0 "[ . 1]" 1
1135 1 89 LEU HA 1 107 LEU HA 3.090 . 4.380 2.495 2.119 2.852 . 0 0 "[ . 1]" 1
1136 1 89 LEU QD 1 107 LEU HA 2.790 . 3.780 2.720 2.205 2.997 . 0 0 "[ . 1]" 1
1137 1 89 LEU H 1 89 LEU HG 3.650 . 5.500 3.966 2.797 4.509 . 0 0 "[ . 1]" 1
1138 1 89 LEU QD 1 90 ASP QB 3.320 . 4.840 4.582 4.286 4.867 0.027 8 0 "[ . 1]" 1
1139 1 89 LEU HA 1 89 LEU QD 3.650 . 5.500 1.952 1.868 2.046 . 0 0 "[ . 1]" 1
1140 1 89 LEU H 1 89 LEU QD 2.545 . 3.290 2.972 2.766 3.341 0.051 8 0 "[ . 1]" 1
1141 1 89 LEU H 1 90 ASP H 3.185 . 4.570 4.418 4.363 4.481 . 0 0 "[ . 1]" 1
1142 1 89 LEU HB3 1 90 ASP H 3.050 . 4.300 2.748 2.371 3.039 . 0 0 "[ . 1]" 1
1143 1 89 LEU HB2 1 90 ASP H 3.050 . 4.300 3.952 3.501 4.179 . 0 0 "[ . 1]" 1
1144 1 89 LEU QD 1 90 ASP H 2.510 . 3.220 2.867 2.484 3.251 0.031 7 0 "[ . 1]" 1
1145 1 89 LEU QD 1 108 GLY H 3.145 . 4.490 3.879 3.108 4.468 . 0 0 "[ . 1]" 1
1146 1 89 LEU HA 1 90 ASP H 2.515 . 3.230 2.237 2.130 2.335 . 0 0 "[ . 1]" 1
1147 1 89 LEU QD 1 91 GLU H 3.380 . 4.960 5.083 4.975 5.138 0.178 1 0 "[ . 1]" 1
1148 1 89 LEU HA 1 108 GLY H 2.795 . 3.790 3.056 2.311 3.684 . 0 0 "[ . 1]" 1
1149 1 89 LEU HA 1 108 GLY QA 3.570 . 5.340 4.529 3.134 5.428 0.088 1 0 "[ . 1]" 1
1150 1 89 LEU QB 1 90 ASP H 2.650 . 3.500 2.699 2.335 2.970 . 0 0 "[ . 1]" 1
1151 1 89 LEU QB 1 105 VAL MG2 3.465 . 5.130 3.841 3.423 4.119 . 0 0 "[ . 1]" 1
1152 1 89 LEU QD 1 106 MET QB 3.570 . 5.340 4.584 4.394 4.786 . 0 0 "[ . 1]" 1
1153 1 90 ASP QB 1 107 LEU HA 3.475 . 5.150 3.720 2.959 4.459 . 0 0 "[ . 1]" 1
1154 1 90 ASP QB 1 107 LEU QD 3.595 . 5.390 5.165 4.967 5.456 0.066 8 0 "[ . 1]" 1
1155 1 90 ASP QB 1 108 GLY HA2 2.870 . 3.940 3.215 1.919 4.036 0.096 3 0 "[ . 1]" 1
1156 1 90 ASP QB 1 107 LEU H 3.145 . 4.490 4.433 4.104 4.560 0.070 8 0 "[ . 1]" 1
1157 1 90 ASP QB 1 108 GLY HA3 2.870 . 3.940 2.738 2.421 3.025 . 0 0 "[ . 1]" 1
1158 1 90 ASP H 1 90 ASP QB 2.625 . 3.450 2.653 2.581 2.722 . 0 0 "[ . 1]" 1
1159 1 90 ASP H 1 106 MET H 3.125 . 4.450 3.356 2.966 3.615 . 0 0 "[ . 1]" 1
1160 1 90 ASP HA 1 91 GLU H 2.525 . 3.250 2.091 2.011 2.163 . 0 0 "[ . 1]" 1
1161 1 90 ASP QB 1 91 GLU H 2.750 . 3.700 3.452 2.979 3.724 0.024 6 0 "[ . 1]" 1
1162 1 90 ASP QB 1 108 GLY H 3.215 . 4.630 3.214 2.616 3.990 . 0 0 "[ . 1]" 1
1163 1 90 ASP H 1 108 GLY H 3.080 . 4.360 3.526 3.428 3.702 . 0 0 "[ . 1]" 1
1164 1 90 ASP H 1 107 LEU HA 3.185 . 4.570 2.756 1.997 3.265 . 0 0 "[ . 1]" 1
1165 1 90 ASP H 1 91 GLU H 3.420 . 5.040 3.952 3.766 4.163 . 0 0 "[ . 1]" 1
1166 1 90 ASP H 1 105 VAL MG2 3.650 . 5.500 4.938 4.427 5.317 . 0 0 "[ . 1]" 1
1167 1 90 ASP H 1 106 MET QB 3.225 . 4.650 3.801 3.483 4.134 . 0 0 "[ . 1]" 1
1168 1 90 ASP QB 1 108 GLY QA 2.600 . 3.400 2.418 1.869 2.792 . 0 0 "[ . 1]" 1
1169 1 91 GLU HA 1 105 VAL HA 2.920 . 4.040 2.681 2.164 3.379 . 0 0 "[ . 1]" 1
1170 1 91 GLU HA 1 106 MET H 3.110 . 4.420 2.805 2.218 3.661 . 0 0 "[ . 1]" 1
1171 1 91 GLU HA 1 91 GLU HG2 3.025 . 4.250 3.260 2.365 3.826 . 0 0 "[ . 1]" 1
1172 1 91 GLU HA 1 91 GLU HG3 3.025 . 4.250 3.516 2.833 4.279 0.029 1 0 "[ . 1]" 1
1173 1 91 GLU HA 1 105 VAL MG1 3.590 . 5.380 4.397 3.582 5.108 . 0 0 "[ . 1]" 1
1174 1 91 GLU HA 1 105 VAL MG2 3.590 . 4.430 3.713 3.220 3.978 . 0 0 "[ . 1]" 1
1175 1 91 GLU HA 1 92 ASP H 2.625 . 3.450 2.183 2.082 2.337 . 0 0 "[ . 1]" 1
1176 1 91 GLU HA 1 104 TYR H 3.650 . 5.500 4.539 3.849 5.080 . 0 0 "[ . 1]" 1
1177 1 91 GLU H 1 106 MET H 3.650 . 5.500 4.661 4.234 5.257 . 0 0 "[ . 1]" 1
1178 1 91 GLU H 1 91 GLU QB 2.450 . 3.100 2.639 2.368 2.828 . 0 0 "[ . 1]" 1
1179 1 91 GLU H 1 91 GLU QG 2.615 . 3.430 2.387 1.910 2.905 . 0 0 "[ . 1]" 1
1180 1 91 GLU HA 1 91 GLU QG 2.695 . 3.590 2.989 2.296 3.572 . 0 0 "[ . 1]" 1
1181 1 91 GLU QB 1 92 ASP H 2.595 . 3.390 2.677 2.215 3.159 . 0 0 "[ . 1]" 1
1182 1 91 GLU QB 1 103 ALA MB 2.745 . 3.690 2.313 2.011 2.796 . 0 0 "[ . 1]" 1
1183 1 91 GLU QB 1 104 TYR H 3.515 . 5.230 3.594 2.648 4.440 . 0 0 "[ . 1]" 1
1184 1 91 GLU QG 1 92 ASP H 3.215 . 4.630 3.829 3.545 4.285 . 0 0 "[ . 1]" 1
1185 1 92 ASP HA 1 92 ASP QB 2.245 . 2.690 2.313 2.192 2.469 . 0 0 "[ . 1]" 1
1186 1 92 ASP HA 1 93 LEU H 2.595 . 3.390 2.249 2.004 2.755 . 0 0 "[ . 1]" 1
1187 1 92 ASP H 1 104 TYR H 2.920 . 4.040 2.833 2.470 3.361 . 0 0 "[ . 1]" 1
1188 1 92 ASP H 1 92 ASP QB 2.745 . 3.690 2.528 2.182 2.915 . 0 0 "[ . 1]" 1
1189 1 92 ASP QB 1 93 LEU H 2.765 . 3.730 3.299 2.424 3.823 0.093 10 0 "[ . 1]" 1
1190 1 92 ASP QB 1 104 TYR H 3.100 . 4.400 3.238 2.180 4.459 0.059 8 0 "[ . 1]" 1
1191 1 92 ASP H 1 93 LEU H 3.140 . 4.480 4.340 4.024 4.494 0.014 6 0 "[ . 1]" 1
1192 1 92 ASP H 1 103 ALA MB 3.410 . 5.020 3.784 3.361 4.078 . 0 0 "[ . 1]" 1
1193 1 92 ASP H 1 106 MET H 3.650 . 5.500 4.226 3.680 4.716 . 0 0 "[ . 1]" 1
1194 1 92 ASP H 1 105 VAL MG2 3.620 . 5.440 4.655 4.214 5.178 . 0 0 "[ . 1]" 1
1195 1 92 ASP H 1 106 MET QG 3.270 . 4.740 3.882 3.137 4.769 0.029 1 0 "[ . 1]" 1
1196 1 92 ASP QB 1 106 MET QG 3.180 . 4.560 3.469 2.017 4.448 . 0 0 "[ . 1]" 1
1197 1 93 LEU HA 1 104 TYR H 3.040 . 4.280 3.854 3.576 4.282 0.002 6 0 "[ . 1]" 1
1198 1 93 LEU HA 1 93 LEU QD 2.795 . 3.790 2.065 2.008 2.174 . 0 0 "[ . 1]" 1
1199 1 93 LEU HA 1 94 TYR QB 3.170 . 4.540 4.003 3.852 4.396 . 0 0 "[ . 1]" 1
1200 1 93 LEU HA 1 103 ALA HA 2.810 . 3.820 2.561 2.335 2.758 . 0 0 "[ . 1]" 1
1201 1 93 LEU QD 1 103 ALA HA 3.110 . 4.420 2.869 2.478 3.418 . 0 0 "[ . 1]" 1
1202 1 93 LEU HB3 1 93 LEU QD 2.685 . 3.570 2.145 2.115 2.349 . 0 0 "[ . 1]" 1
1203 1 93 LEU HB2 1 93 LEU QD 2.600 . 3.400 2.285 2.260 2.336 . 0 0 "[ . 1]" 1
1204 1 93 LEU HA 1 103 ALA MB 2.830 . 3.860 3.220 2.394 3.590 . 0 0 "[ . 1]" 1
1205 1 93 LEU QD 1 103 ALA MB 2.645 . 3.490 2.070 1.897 2.262 . 0 0 "[ . 1]" 1
1206 1 93 LEU HB2 1 94 TYR H 3.185 . 4.570 4.216 3.832 4.322 . 0 0 "[ . 1]" 1
1207 1 93 LEU HA 1 103 ALA H 3.650 . 5.500 4.929 4.537 5.106 . 0 0 "[ . 1]" 1
1208 1 93 LEU H 1 93 LEU HB2 2.585 . 3.370 2.555 2.446 2.655 . 0 0 "[ . 1]" 1
1209 1 93 LEU H 1 93 LEU HG 2.780 . 3.760 2.906 2.315 3.914 0.154 10 0 "[ . 1]" 1
1210 1 93 LEU H 1 93 LEU HB3 2.805 . 3.810 3.676 3.557 3.754 . 0 0 "[ . 1]" 1
1211 1 93 LEU QD 1 104 TYR H 3.530 . 5.260 4.190 3.874 4.405 . 0 0 "[ . 1]" 1
1212 1 93 LEU HA 1 94 TYR H 2.485 . 3.170 2.082 1.997 2.191 . 0 0 "[ . 1]" 1
1213 1 93 LEU QD 1 94 TYR H 3.175 . 4.550 3.539 3.210 3.837 . 0 0 "[ . 1]" 1
1214 1 93 LEU HB3 1 94 TYR H 2.645 . 3.490 3.370 2.662 3.585 0.095 4 0 "[ . 1]" 1
1215 1 93 LEU H 1 93 LEU QD 2.850 . 3.900 3.219 1.990 3.468 . 0 0 "[ . 1]" 1
1216 1 93 LEU H 1 94 TYR H 3.280 . 4.760 4.261 3.986 4.484 . 0 0 "[ . 1]" 1
1217 1 93 LEU QD 1 103 ALA H 3.050 . 4.300 4.252 3.966 4.333 0.033 9 0 "[ . 1]" 1
1218 1 94 TYR QD 1 102 ILE MG 3.520 . 5.240 2.413 1.848 3.778 . 0 0 "[ . 1]" 1
1219 1 94 TYR QB 1 102 ILE MG 3.490 . 5.180 2.769 2.051 4.056 . 0 0 "[ . 1]" 1
1220 1 94 TYR H 1 102 ILE H 3.255 . 4.710 3.345 2.832 4.405 . 0 0 "[ . 1]" 1
1221 1 94 TYR H 1 94 TYR QB 2.705 . 3.610 2.407 2.290 2.673 . 0 0 "[ . 1]" 1
1222 1 94 TYR QB 1 95 ILE H 2.850 . 3.900 3.716 2.468 3.931 0.031 5 0 "[ . 1]" 1
1223 1 94 TYR H 1 102 ILE MG 3.650 . 5.500 3.776 3.099 4.926 . 0 0 "[ . 1]" 1
1224 1 94 TYR H 1 94 TYR QD 3.130 . 4.460 4.011 3.143 4.230 . 0 0 "[ . 1]" 1
1225 1 94 TYR H 1 95 ILE MG 3.500 . 5.200 5.295 5.261 5.354 0.154 8 0 "[ . 1]" 1
1226 1 94 TYR H 1 103 ALA HA 3.000 . 4.200 3.039 2.145 3.461 . 0 0 "[ . 1]" 1
1227 1 94 TYR QB 1 102 ILE H 2.995 . 4.190 3.618 3.344 3.839 . 0 0 "[ . 1]" 1
1228 1 94 TYR H 1 103 ALA MB 3.125 . 4.450 4.212 3.367 4.505 0.055 8 0 "[ . 1]" 1
1229 1 94 TYR H 1 95 ILE H 3.030 . 4.260 4.143 3.884 4.256 . 0 0 "[ . 1]" 1
1230 1 94 TYR H 1 104 TYR H 3.580 . 5.360 4.256 3.600 4.798 . 0 0 "[ . 1]" 1
1231 1 94 TYR H 1 104 TYR QD 3.565 . 5.330 4.011 3.557 4.578 . 0 0 "[ . 1]" 1
1232 1 94 TYR H 1 104 TYR QE 3.365 . 4.930 4.462 3.922 4.959 0.029 8 0 "[ . 1]" 1
1233 1 94 TYR QB 1 104 TYR QD 3.045 . 4.290 2.818 2.280 3.821 . 0 0 "[ . 1]" 1
1234 1 94 TYR QD 1 95 ILE H 2.875 . 3.950 3.811 3.536 3.986 0.036 4 0 "[ . 1]" 1
1235 1 94 TYR QD 1 102 ILE HA 3.650 . 5.500 5.551 5.347 5.696 0.196 8 0 "[ . 1]" 1
1236 1 94 TYR QB 1 104 TYR QE 2.500 . 3.200 2.302 1.923 3.222 0.022 8 0 "[ . 1]" 1
1237 1 94 TYR QD 1 104 TYR QE 3.075 . 4.350 2.654 2.145 3.161 . 0 0 "[ . 1]" 1
1238 1 95 ILE HA 1 95 ILE MG 2.560 . 3.320 3.172 3.129 3.189 . 0 0 "[ . 1]" 1
1239 1 95 ILE HG12 1 95 ILE MG 2.800 . 3.800 2.291 2.028 3.122 . 0 0 "[ . 1]" 1
1240 1 95 ILE MD 1 101 ALA HA 2.955 . 4.110 3.612 3.327 4.184 0.074 4 0 "[ . 1]" 1
1241 1 95 ILE HA 1 95 ILE MD 2.835 . 3.870 3.552 2.611 3.730 . 0 0 "[ . 1]" 1
1242 1 95 ILE HB 1 95 ILE MD 2.705 . 3.610 2.357 2.102 3.216 . 0 0 "[ . 1]" 1
1243 1 95 ILE MG 1 100 GLN H 3.240 . 4.680 4.721 4.636 4.783 0.103 4 0 "[ . 1]" 1
1244 1 95 ILE HA 1 101 ALA MB 3.065 . 4.330 3.159 1.729 3.765 0.071 5 0 "[ . 1]" 1
1245 1 95 ILE MD 1 101 ALA MB 2.500 . 3.400 2.203 1.950 2.840 . 0 0 "[ . 1]" 1
1246 1 95 ILE HA 1 101 ALA HA 3.050 . 4.300 2.526 2.005 4.344 0.044 5 0 "[ . 1]" 1
1247 1 95 ILE MG 1 99 ASP HA 2.595 . 3.390 3.544 3.462 3.614 0.224 7 0 "[ . 1]" 1
1248 1 95 ILE MD 1 102 ILE H 3.455 . 5.110 5.011 4.328 5.168 0.058 10 0 "[ . 1]" 1
1249 1 95 ILE H 1 95 ILE MD 3.125 . 4.450 4.546 4.481 4.584 0.134 4 0 "[ . 1]" 1
1250 1 95 ILE HG13 1 95 ILE MG 2.800 . 3.800 3.040 2.569 3.120 . 0 0 "[ . 1]" 1
1251 1 95 ILE MD 1 96 ASN H 3.650 . 5.500 3.828 1.754 4.182 0.046 5 0 "[ . 1]" 1
1252 1 95 ILE MD 1 101 ALA H 3.650 . 5.500 3.287 2.377 3.558 . 0 0 "[ . 1]" 1
1253 1 95 ILE H 1 95 ILE HG13 3.330 . 4.860 4.590 4.496 4.907 0.047 5 0 "[ . 1]" 1
1254 1 95 ILE H 1 95 ILE HG12 3.330 . 4.860 4.483 4.254 4.737 . 0 0 "[ . 1]" 1
1255 1 95 ILE HA 1 96 ASN H 2.445 . 3.090 2.226 2.168 2.290 . 0 0 "[ . 1]" 1
1256 1 95 ILE HA 1 102 ILE H 3.065 . 4.330 3.212 2.766 3.909 . 0 0 "[ . 1]" 1
1257 1 95 ILE H 1 95 ILE HB 2.610 . 3.420 2.935 2.774 3.054 . 0 0 "[ . 1]" 1
1258 1 95 ILE H 1 95 ILE MG 2.800 . 3.800 2.306 2.120 2.859 . 0 0 "[ . 1]" 1
1259 1 95 ILE HA 1 101 ALA H 3.650 . 5.500 4.472 4.163 4.723 . 0 0 "[ . 1]" 1
1260 1 95 ILE MG 1 99 ASP H 3.215 . 4.630 4.315 4.090 4.435 . 0 0 "[ . 1]" 1
1261 1 95 ILE H 1 96 ASN H 3.280 . 4.760 4.303 4.210 4.430 . 0 0 "[ . 1]" 1
1262 1 95 ILE MG 1 96 ASN H 2.655 . 3.510 3.447 2.991 3.560 0.050 1 0 "[ . 1]" 1
1263 1 95 ILE MG 1 101 ALA H 3.650 . 5.500 5.456 5.013 5.538 0.038 3 0 "[ . 1]" 1
1264 1 95 ILE H 1 95 ILE QG 2.935 . 4.070 4.033 4.000 4.103 0.033 4 0 "[ . 1]" 1
1265 1 95 ILE HA 1 95 ILE QG 2.670 . 3.540 2.251 1.976 2.316 . 0 0 "[ . 1]" 1
1266 1 95 ILE QG 1 95 ILE MG 2.455 . 3.110 2.184 1.997 2.456 . 0 0 "[ . 1]" 1
1267 1 95 ILE QG 1 96 ASN H 2.330 . 2.860 2.459 2.201 3.045 0.185 5 0 "[ . 1]" 1
1268 1 95 ILE QG 1 99 ASP HA 3.035 . 4.270 2.396 2.048 3.833 . 0 0 "[ . 1]" 1
1269 1 95 ILE QG 1 101 ALA H 2.580 . 3.360 3.018 2.924 3.322 . 0 0 "[ . 1]" 1
1270 1 95 ILE QG 1 101 ALA MB 2.795 . 3.790 2.477 1.884 2.996 . 0 0 "[ . 1]" 1
1271 1 95 ILE QG 1 102 ILE H 3.380 . 4.960 4.215 3.755 4.708 . 0 0 "[ . 1]" 1
1272 1 95 ILE MD 1 98 ASN QB 3.570 . 5.340 5.357 4.494 5.502 0.162 9 0 "[ . 1]" 1
1273 1 95 ILE MD 1 99 ASP QB 3.570 . 5.340 3.048 2.667 3.405 . 0 0 "[ . 1]" 1
1274 1 96 ASN HA 1 97 ALA MB 3.310 . 4.820 4.136 4.038 4.223 . 0 0 "[ . 1]" 1
1275 1 96 ASN HB3 1 97 ALA MB 3.650 . 5.500 4.962 3.353 5.274 . 0 0 "[ . 1]" 1
1276 1 96 ASN HB2 1 97 ALA MB 2.905 . 4.005 3.826 3.640 3.964 . 0 0 "[ . 1]" 1
1277 1 96 ASN HB2 1 97 ALA H 2.325 . 2.850 2.190 2.008 2.744 . 0 0 "[ . 1]" 1
1278 1 96 ASN HB3 1 97 ALA H 3.650 . 5.500 3.391 1.899 3.671 . 0 0 "[ . 1]" 1
1279 1 96 ASN H 1 96 ASN HB3 2.945 . 4.090 3.073 2.796 3.785 . 0 0 "[ . 1]" 1
1280 1 96 ASN H 1 96 ASN HB2 2.810 . 3.820 3.639 2.774 3.778 . 0 0 "[ . 1]" 1
1281 1 96 ASN HB2 1 96 ASN HD22 2.900 . 4.000 3.497 3.376 3.604 . 0 0 "[ . 1]" 1
1282 1 96 ASN H 1 100 GLN H 3.125 . 4.450 3.194 2.970 3.616 . 0 0 "[ . 1]" 1
1283 1 96 ASN HB3 1 98 ASN H 3.465 . 5.130 4.449 3.591 4.866 . 0 0 "[ . 1]" 1
1284 1 96 ASN H 1 102 ILE H 3.650 . 5.500 4.975 4.551 5.436 . 0 0 "[ . 1]" 1
1285 1 96 ASN H 1 100 GLN QB 3.255 . 4.710 3.752 3.141 4.859 0.149 5 0 "[ . 1]" 1
1286 1 96 ASN H 1 101 ALA H 3.650 . 5.500 4.891 3.910 5.091 . 0 0 "[ . 1]" 1
1287 1 96 ASN HD22 1 100 GLN QB 2.780 . 3.760 2.725 2.096 3.794 0.034 6 0 "[ . 1]" 1
1288 1 96 ASN HB2 1 96 ASN HD21 2.100 . 2.400 2.315 2.017 2.506 0.106 8 0 "[ . 1]" 1
1289 1 96 ASN HD21 1 100 GLN QB 3.085 . 4.370 3.770 2.635 4.380 0.010 9 0 "[ . 1]" 1
1290 1 96 ASN HD21 1 97 ALA MB 3.650 . 5.500 4.819 3.940 5.684 0.184 6 0 "[ . 1]" 1
1291 1 97 ALA MB 1 98 ASN H 2.920 . 4.040 3.473 3.348 3.567 . 0 0 "[ . 1]" 1
1292 1 97 ALA H 1 97 ALA MB 2.865 . 3.930 2.191 2.029 2.237 . 0 0 "[ . 1]" 1
1293 1 97 ALA H 1 98 ASN H 2.835 . 3.870 2.942 2.701 3.144 . 0 0 "[ . 1]" 1
1294 1 97 ALA MB 1 98 ASN QB 3.310 . 4.820 4.613 4.018 4.801 . 0 0 "[ . 1]" 1
1295 1 98 ASN H 1 98 ASN HB3 2.805 . 3.810 3.604 2.606 3.773 . 0 0 "[ . 1]" 1
1296 1 98 ASN HB3 1 99 ASP H 3.325 . 4.850 4.186 3.402 4.330 . 0 0 "[ . 1]" 1
1297 1 98 ASN HB2 1 99 ASP H 3.325 . 4.850 3.621 3.486 4.129 . 0 0 "[ . 1]" 1
1298 1 98 ASN H 1 98 ASN HB2 2.805 . 3.810 2.544 2.423 2.698 . 0 0 "[ . 1]" 1
1299 1 98 ASN H 1 99 ASP H 3.045 . 4.290 1.982 1.864 2.126 . 0 0 "[ . 1]" 1
1300 1 98 ASN HB3 1 98 ASN HD21 2.810 . 3.820 2.428 2.156 2.940 . 0 0 "[ . 1]" 1
1301 1 98 ASN HB2 1 98 ASN HD21 2.810 . 3.820 3.209 2.292 3.508 . 0 0 "[ . 1]" 1
1302 1 98 ASN HB3 1 98 ASN HD22 2.810 . 3.820 3.543 3.430 3.754 . 0 0 "[ . 1]" 1
1303 1 98 ASN HB2 1 98 ASN HD22 2.810 . 3.820 3.857 3.505 3.948 0.128 2 0 "[ . 1]" 1
1304 1 98 ASN H 1 98 ASN QB 2.375 . 2.950 2.475 2.360 2.595 . 0 0 "[ . 1]" 1
1305 1 98 ASN QB 1 98 ASN QD 2.345 . 2.890 2.255 2.068 2.679 . 0 0 "[ . 1]" 1
1306 1 98 ASN QB 1 99 ASP H 2.885 . 3.970 3.381 3.251 3.480 . 0 0 "[ . 1]" 1
1307 1 98 ASN QB 1 100 GLN QB 3.215 . 4.630 2.745 2.167 3.097 . 0 0 "[ . 1]" 1
1308 1 98 ASN QB 1 100 GLN QG 2.915 . 4.030 2.251 1.966 3.074 . 0 0 "[ . 1]" 1
1309 1 98 ASN QB 1 100 GLN QE 2.905 . 4.010 3.104 1.811 3.884 . 0 0 "[ . 1]" 1
1310 1 98 ASN QD 1 100 GLN QG 3.145 . 4.490 4.039 2.788 4.553 0.063 5 0 "[ . 1]" 1
1311 1 99 ASP H 1 99 ASP HB2 2.980 . 4.160 3.372 3.151 3.490 . 0 0 "[ . 1]" 1
1312 1 99 ASP HA 1 100 GLN H 2.625 . 3.450 2.796 2.662 2.882 . 0 0 "[ . 1]" 1
1313 1 99 ASP H 1 99 ASP HB3 2.980 . 4.160 3.964 3.696 4.098 . 0 0 "[ . 1]" 1
1314 1 99 ASP H 1 100 GLN H 2.470 . 3.140 2.573 2.476 2.641 . 0 0 "[ . 1]" 1
1315 1 99 ASP H 1 100 GLN QB 3.245 . 4.690 4.638 4.416 4.712 0.022 10 0 "[ . 1]" 1
1316 1 99 ASP H 1 100 GLN QG 3.185 . 4.570 4.315 4.023 4.592 0.022 5 0 "[ . 1]" 1
1317 1 99 ASP H 1 99 ASP QB 2.690 . 3.580 3.196 2.985 3.302 . 0 0 "[ . 1]" 1
1318 1 100 GLN HA 1 100 GLN QG 2.775 . 3.750 2.511 2.343 3.001 . 0 0 "[ . 1]" 1
1319 1 100 GLN QB 1 101 ALA H 2.635 . 3.470 3.507 3.427 3.649 0.179 5 0 "[ . 1]" 1
1320 1 100 GLN H 1 101 ALA H 2.980 . 4.160 4.011 3.205 4.179 0.019 6 0 "[ . 1]" 1
1321 1 100 GLN H 1 100 GLN QG 2.620 . 3.440 2.722 2.495 3.138 . 0 0 "[ . 1]" 1
1322 1 100 GLN H 1 100 GLN QB 2.445 . 3.090 2.469 2.366 2.549 . 0 0 "[ . 1]" 1
1323 1 101 ALA MB 1 102 ILE HA 3.170 . 4.540 3.936 3.742 4.196 . 0 0 "[ . 1]" 1
1324 1 101 ALA HA 1 102 ILE MG 3.650 . 5.500 3.834 3.587 5.083 . 0 0 "[ . 1]" 1
1325 1 101 ALA H 1 101 ALA MB 2.485 . 3.170 2.396 2.242 2.776 . 0 0 "[ . 1]" 1
1326 1 101 ALA MB 1 102 ILE H 2.715 . 3.630 2.723 1.926 3.302 . 0 0 "[ . 1]" 1
1327 1 101 ALA HA 1 102 ILE H 2.530 . 3.260 2.260 2.077 2.807 . 0 0 "[ . 1]" 1
1328 1 101 ALA H 1 102 ILE H 3.170 . 4.540 4.457 4.384 4.553 0.013 8 0 "[ . 1]" 1
1329 1 102 ILE HA 1 102 ILE MD 2.810 . 3.820 2.935 1.962 3.835 0.015 2 0 "[ . 1]" 1
1330 1 102 ILE HG12 1 102 ILE MG 2.800 . 3.800 2.409 2.208 3.209 . 0 0 "[ . 1]" 1
1331 1 102 ILE MD 1 102 ILE MG 2.455 . 3.110 2.474 1.934 3.207 0.097 4 0 "[ . 1]" 1
1332 1 102 ILE HG13 1 102 ILE MG 2.800 . 3.800 2.795 2.315 3.226 . 0 0 "[ . 1]" 1
1333 1 102 ILE HA 1 102 ILE MG 2.790 . 3.780 3.167 2.718 3.235 . 0 0 "[ . 1]" 1
1334 1 102 ILE H 1 102 ILE MG 2.430 . 3.060 2.449 2.182 3.280 0.220 9 0 "[ . 1]" 1
1335 1 102 ILE MG 1 104 TYR QD 3.555 . 5.310 3.180 2.535 3.677 . 0 0 "[ . 1]" 1
1336 1 102 ILE HB 1 102 ILE MD 2.550 . 3.300 2.489 2.368 3.252 . 0 0 "[ . 1]" 1
1337 1 102 ILE HA 1 102 ILE HG12 2.965 . 4.130 3.340 2.831 3.805 . 0 0 "[ . 1]" 1
1338 1 102 ILE HA 1 102 ILE HG13 2.965 . 4.130 2.815 2.449 3.640 . 0 0 "[ . 1]" 1
1339 1 102 ILE HG13 1 103 ALA H 3.440 . 5.080 2.752 1.843 5.115 0.035 9 0 "[ . 1]" 1
1340 1 102 ILE HA 1 103 ALA MB 3.125 . 4.450 3.897 3.748 4.075 . 0 0 "[ . 1]" 1
1341 1 102 ILE MG 1 104 TYR QB 3.650 . 5.500 4.805 4.129 5.169 . 0 0 "[ . 1]" 1
1342 1 102 ILE H 1 102 ILE MD 3.340 . 4.880 4.556 3.932 4.865 . 0 0 "[ . 1]" 1
1343 1 102 ILE H 1 102 ILE HB 2.825 . 3.850 3.118 2.045 3.299 . 0 0 "[ . 1]" 1
1344 1 102 ILE HB 1 103 ALA H 3.115 . 4.430 4.062 3.857 4.281 . 0 0 "[ . 1]" 1
1345 1 102 ILE MG 1 103 ALA H 2.700 . 3.600 3.495 2.728 3.630 0.030 3 0 "[ . 1]" 1
1346 1 102 ILE H 1 103 ALA H 3.140 . 4.480 4.321 4.268 4.386 . 0 0 "[ . 1]" 1
1347 1 102 ILE HA 1 103 ALA H 2.505 . 3.210 2.284 2.124 2.494 . 0 0 "[ . 1]" 1
1348 1 102 ILE HG12 1 103 ALA H 3.440 . 5.080 3.219 2.193 4.802 . 0 0 "[ . 1]" 1
1349 1 102 ILE MD 1 103 ALA H 3.160 . 4.520 3.168 2.175 4.103 . 0 0 "[ . 1]" 1
1350 1 102 ILE MG 1 104 TYR QE 2.355 . 2.910 2.491 1.818 2.941 0.031 6 0 "[ . 1]" 1
1351 1 102 ILE H 1 102 ILE QG 3.185 . 4.570 4.067 3.025 4.295 . 0 0 "[ . 1]" 1
1352 1 102 ILE HA 1 102 ILE QG 2.670 . 3.540 2.630 2.361 2.957 . 0 0 "[ . 1]" 1
1353 1 102 ILE QG 1 102 ILE MG 2.545 . 3.290 2.213 2.033 2.374 . 0 0 "[ . 1]" 1
1354 1 102 ILE QG 1 103 ALA H 3.090 . 4.380 2.457 1.836 4.402 0.022 9 0 "[ . 1]" 1
1355 1 103 ALA HA 1 104 TYR H 2.430 . 3.060 2.141 2.077 2.207 . 0 0 "[ . 1]" 1
1356 1 103 ALA MB 1 104 TYR H 2.705 . 3.610 2.990 2.804 3.191 . 0 0 "[ . 1]" 1
1357 1 103 ALA H 1 103 ALA MB 2.460 . 3.120 2.362 2.242 2.413 . 0 0 "[ . 1]" 1
1358 1 103 ALA H 1 104 TYR H 3.280 . 4.760 4.371 4.282 4.512 . 0 0 "[ . 1]" 1
1359 1 104 TYR HA 1 105 VAL HB 3.345 . 4.890 4.353 4.193 4.448 . 0 0 "[ . 1]" 1
1360 1 104 TYR HA 1 104 TYR QB 2.235 . 2.670 2.342 2.171 2.422 . 0 0 "[ . 1]" 1
1361 1 104 TYR H 1 104 TYR QB 2.740 . 3.680 2.597 2.421 3.305 . 0 0 "[ . 1]" 1
1362 1 104 TYR QD 1 105 VAL H 3.160 . 4.520 3.807 3.424 4.024 . 0 0 "[ . 1]" 1
1363 1 104 TYR H 1 104 TYR QE 3.580 . 5.360 4.710 4.350 5.040 . 0 0 "[ . 1]" 1
1364 1 104 TYR QB 1 105 VAL H 2.690 . 3.580 2.378 2.039 2.716 . 0 0 "[ . 1]" 1
1365 1 104 TYR HA 1 104 TYR QD 2.810 . 3.820 3.115 2.853 3.632 . 0 0 "[ . 1]" 1
1366 1 104 TYR H 1 104 TYR QD 2.845 . 3.890 2.646 2.379 3.194 . 0 0 "[ . 1]" 1
1367 1 104 TYR HA 1 105 VAL MG2 3.445 . 5.090 3.475 3.205 3.611 . 0 0 "[ . 1]" 1
1368 1 105 VAL H 1 105 VAL HB 2.645 . 3.490 2.436 2.219 2.574 . 0 0 "[ . 1]" 1
1369 1 105 VAL HA 1 106 MET H 2.370 . 2.940 1.962 1.918 2.006 . 0 0 "[ . 1]" 1
1370 1 105 VAL H 1 105 VAL MG2 2.320 . 2.840 2.830 2.665 2.953 0.113 1 0 "[ . 1]" 1
1371 1 105 VAL MG2 1 106 MET H 2.505 . 3.210 3.354 3.307 3.400 0.190 7 0 "[ . 1]" 1
1372 1 106 MET HA 1 107 LEU QD 3.075 . 4.350 3.002 2.864 3.342 . 0 0 "[ . 1]" 1
1373 1 106 MET H 1 106 MET HG3 3.150 . 4.500 3.947 3.048 4.523 0.023 5 0 "[ . 1]" 1
1374 1 106 MET H 1 106 MET HG2 3.150 . 4.500 3.603 2.978 4.163 . 0 0 "[ . 1]" 1
1375 1 106 MET HA 1 107 LEU HG 3.635 . 5.470 5.315 5.129 5.494 0.024 10 0 "[ . 1]" 1
1376 1 106 MET HA 1 107 LEU H 2.680 . 3.560 2.580 2.404 2.751 . 0 0 "[ . 1]" 1
1377 1 106 MET H 1 107 LEU H 3.530 . 5.260 4.318 4.278 4.369 . 0 0 "[ . 1]" 1
1378 1 106 MET H 1 106 MET QB 2.665 . 3.530 2.684 2.610 2.792 . 0 0 "[ . 1]" 1
1379 1 106 MET H 1 106 MET QG 2.770 . 3.740 3.156 2.926 3.372 . 0 0 "[ . 1]" 1
1380 1 106 MET QB 1 106 MET QG 2.015 . 2.230 2.028 1.982 2.090 . 0 0 "[ . 1]" 1
1381 1 106 MET QB 1 107 LEU H 2.510 . 3.220 2.135 1.869 2.436 . 0 0 "[ . 1]" 1
1382 1 106 MET QB 1 107 LEU HA 3.290 . 4.780 4.048 3.860 4.253 . 0 0 "[ . 1]" 1
1383 1 106 MET QB 1 107 LEU QD 3.130 . 4.460 3.449 2.819 4.040 . 0 0 "[ . 1]" 1
1384 1 106 MET QG 1 107 LEU H 3.075 . 4.350 4.026 3.839 4.310 . 0 0 "[ . 1]" 1
1385 1 107 LEU HA 1 107 LEU QD 2.900 . 4.000 3.198 2.813 3.436 . 0 0 "[ . 1]" 1
1386 1 107 LEU HA 1 107 LEU QB 2.245 . 2.690 2.283 2.178 2.443 . 0 0 "[ . 1]" 1
1387 1 107 LEU QD 1 111 ALA MB 2.340 . 2.880 2.254 2.043 2.666 . 0 0 "[ . 1]" 1
1388 1 107 LEU HG 1 111 ALA MB 2.805 . 3.810 3.171 2.225 3.812 0.002 1 0 "[ . 1]" 1
1389 1 107 LEU HA 1 111 ALA MB 3.215 . 4.630 3.452 3.022 3.747 . 0 0 "[ . 1]" 1
1390 1 107 LEU H 1 107 LEU QB 2.435 . 3.070 2.797 2.406 3.110 0.040 9 0 "[ . 1]" 1
1391 1 107 LEU H 1 108 GLY H 3.380 . 4.960 4.375 4.187 4.525 . 0 0 "[ . 1]" 1
1392 1 107 LEU QD 1 108 GLY H 3.315 . 4.830 4.223 3.950 4.400 . 0 0 "[ . 1]" 1
1393 1 107 LEU QD 1 112 GLN H 3.650 . 5.500 5.160 4.386 5.570 0.070 1 0 "[ . 1]" 1
1394 1 107 LEU H 1 107 LEU QD 2.790 . 3.780 2.082 1.746 2.674 0.054 7 0 "[ . 1]" 1
1395 1 107 LEU H 1 107 LEU HG 3.005 . 4.210 3.483 2.859 4.142 . 0 0 "[ . 1]" 1
1396 1 107 LEU HG 1 108 GLY H 3.320 . 4.840 4.297 4.066 4.586 . 0 0 "[ . 1]" 1
1397 1 107 LEU QB 1 108 GLY H 2.900 . 4.000 3.014 2.643 3.268 . 0 0 "[ . 1]" 1
1398 1 108 GLY H 1 109 ASN H 3.300 . 4.800 3.440 2.605 4.405 . 0 0 "[ . 1]" 1
1399 1 108 GLY H 1 111 ALA MB 3.050 . 4.300 2.649 2.294 3.175 . 0 0 "[ . 1]" 1
1400 1 109 ASN H 1 110 LYS H 3.065 . 4.330 2.853 2.623 3.068 . 0 0 "[ . 1]" 1
1401 1 109 ASN H 1 111 ALA MB 3.405 . 5.010 4.483 3.933 5.002 . 0 0 "[ . 1]" 1
1402 1 109 ASN QB 1 109 ASN QD 2.465 . 3.130 2.176 2.080 2.266 . 0 0 "[ . 1]" 1
1403 1 109 ASN QB 1 110 LYS H 3.100 . 4.400 2.958 2.428 3.937 . 0 0 "[ . 1]" 1
1404 1 109 ASN QB 1 111 ALA H 3.570 . 5.340 4.509 4.245 4.881 . 0 0 "[ . 1]" 1
1405 1 109 ASN QD 1 110 LYS H 3.515 . 5.230 4.419 3.361 5.060 . 0 0 "[ . 1]" 1
1406 1 109 ASN QD 1 110 LYS HG2 3.570 . 5.340 4.300 2.235 5.381 0.041 9 0 "[ . 1]" 1
1407 1 110 LYS H 1 110 LYS HG3 3.040 . 4.280 3.919 2.702 4.288 0.008 6 0 "[ . 1]" 1
1408 1 110 LYS HB3 1 113 THR HB 3.410 . 5.020 2.920 2.477 3.624 . 0 0 "[ . 1]" 1
1409 1 110 LYS QE 1 110 LYS HG2 2.880 . 3.960 2.783 2.273 3.303 . 0 0 "[ . 1]" 1
1410 1 110 LYS HA 1 110 LYS HG2 3.025 . 4.250 3.046 2.479 3.322 . 0 0 "[ . 1]" 1
1411 1 110 LYS HA 1 110 LYS HB3 2.295 . 2.790 2.480 2.402 2.687 . 0 0 "[ . 1]" 1
1412 1 110 LYS QE 1 110 LYS HG3 2.100 . 2.400 2.430 2.400 2.500 0.100 4 0 "[ . 1]" 1
1413 1 110 LYS HA 1 110 LYS HG3 2.915 . 4.030 3.734 3.383 3.848 . 0 0 "[ . 1]" 1
1414 1 110 LYS HB2 1 110 LYS QE 3.585 . 5.370 4.153 2.220 4.473 . 0 0 "[ . 1]" 1
1415 1 110 LYS H 1 110 LYS HB2 2.535 . 3.270 2.560 2.322 2.671 . 0 0 "[ . 1]" 1
1416 1 110 LYS HB2 1 111 ALA H 2.915 . 4.030 3.757 3.485 3.999 . 0 0 "[ . 1]" 1
1417 1 110 LYS H 1 111 ALA H 2.635 . 3.470 2.388 2.217 2.720 . 0 0 "[ . 1]" 1
1418 1 110 LYS H 1 110 LYS HB3 2.745 . 3.690 3.692 3.543 3.720 0.030 9 0 "[ . 1]" 1
1419 1 110 LYS HB3 1 113 THR H 3.205 . 4.610 4.179 3.833 4.503 . 0 0 "[ . 1]" 1
1420 1 110 LYS H 1 110 LYS HG2 2.595 . 3.390 2.830 2.448 3.413 0.023 10 0 "[ . 1]" 1
1421 1 110 LYS H 1 111 ALA HA 3.310 . 4.820 4.554 4.409 4.818 . 0 0 "[ . 1]" 1
1422 1 111 ALA MB 1 114 VAL H 3.650 . 5.500 4.366 4.276 4.571 . 0 0 "[ . 1]" 1
1423 1 111 ALA HA 1 114 VAL HB 3.515 . 5.230 2.965 2.300 3.470 . 0 0 "[ . 1]" 1
1424 1 111 ALA HA 1 114 VAL H 3.500 . 5.200 3.222 3.038 3.584 . 0 0 "[ . 1]" 1
1425 1 111 ALA MB 1 112 GLN H 2.800 . 3.800 2.615 2.452 2.802 . 0 0 "[ . 1]" 1
1426 1 111 ALA HA 1 113 THR H 3.120 . 4.440 4.073 3.937 4.274 . 0 0 "[ . 1]" 1
1427 1 111 ALA H 1 111 ALA MB 2.445 . 3.090 2.242 2.189 2.303 . 0 0 "[ . 1]" 1
1428 1 111 ALA H 1 112 GLN H 2.810 . 3.820 2.563 2.079 2.895 . 0 0 "[ . 1]" 1
1429 1 111 ALA MB 1 113 THR H 3.455 . 5.110 4.411 4.226 4.593 . 0 0 "[ . 1]" 1
1430 1 111 ALA H 1 112 GLN QG 3.465 . 5.130 4.703 3.675 5.359 0.229 8 0 "[ . 1]" 1
1431 1 111 ALA H 1 112 GLN QB 3.405 . 5.010 4.525 3.577 5.033 0.023 7 0 "[ . 1]" 1
1432 1 111 ALA MB 1 112 GLN QB 3.145 . 4.490 3.858 3.677 4.020 . 0 0 "[ . 1]" 1
1433 1 112 GLN HA 1 115 LEU QD 2.635 . 3.470 2.211 2.103 2.429 . 0 0 "[ . 1]" 1
1434 1 112 GLN HA 1 112 GLN QG 2.880 . 3.960 3.388 3.091 3.531 . 0 0 "[ . 1]" 1
1435 1 112 GLN HE21 1 112 GLN QG 2.945 . 4.090 2.353 2.186 2.888 . 0 0 "[ . 1]" 1
1436 1 112 GLN HA 1 115 LEU H 3.080 . 4.360 3.212 3.064 3.327 . 0 0 "[ . 1]" 1
1437 1 112 GLN HA 1 114 VAL HB 3.260 . 4.720 4.718 4.588 4.780 0.060 2 0 "[ . 1]" 1
1438 1 112 GLN HA 1 116 ASN H 3.650 . 5.500 4.163 3.964 4.248 . 0 0 "[ . 1]" 1
1439 1 112 GLN HE21 1 116 ASN QB 2.775 . 3.750 3.444 2.698 3.769 0.019 3 0 "[ . 1]" 1
1440 1 112 GLN QG 1 115 LEU QD 3.650 . 5.500 4.588 4.181 5.054 . 0 0 "[ . 1]" 1
1441 1 112 GLN QG 1 113 THR MG 3.650 . 5.500 4.602 4.420 4.757 . 0 0 "[ . 1]" 1
1442 1 112 GLN H 1 113 THR H 2.905 . 4.010 2.558 2.423 2.672 . 0 0 "[ . 1]" 1
1443 1 112 GLN QG 1 113 THR H 3.045 . 4.290 2.657 2.136 3.237 . 0 0 "[ . 1]" 1
1444 1 112 GLN H 1 115 LEU QD 3.650 . 5.500 4.293 4.149 4.459 . 0 0 "[ . 1]" 1
1445 1 112 GLN H 1 114 VAL H 3.380 . 4.960 3.874 3.797 4.003 . 0 0 "[ . 1]" 1
1446 1 112 GLN HE22 1 116 ASN H 3.315 . 4.830 4.777 4.364 4.882 0.052 1 0 "[ . 1]" 1
1447 1 112 GLN HE21 1 116 ASN H 3.315 . 4.830 4.336 3.249 4.627 . 0 0 "[ . 1]" 1
1448 1 112 GLN H 1 112 GLN QG 2.985 . 4.170 2.822 2.179 3.749 . 0 0 "[ . 1]" 1
1449 1 112 GLN HE22 1 116 ASN QB 2.775 . 3.750 3.488 3.160 3.774 0.024 8 0 "[ . 1]" 1
1450 1 112 GLN QG 1 116 ASN H 3.650 . 5.500 5.256 4.567 5.636 0.136 6 0 "[ . 1]" 1
1451 1 112 GLN H 1 112 GLN QB 2.545 . 3.290 2.368 2.058 2.549 . 0 0 "[ . 1]" 1
1452 1 112 GLN QB 1 112 GLN QE 3.145 . 4.490 3.087 1.792 3.701 0.008 6 0 "[ . 1]" 1
1453 1 112 GLN QB 1 113 THR H 2.905 . 4.010 3.342 2.596 3.698 . 0 0 "[ . 1]" 1
1454 1 112 GLN QB 1 115 LEU QD 2.745 . 3.690 3.262 2.649 3.595 . 0 0 "[ . 1]" 1
1455 1 112 GLN QE 1 113 THR HA 2.915 . 4.030 2.839 2.012 4.067 0.037 2 0 "[ . 1]" 1
1456 1 112 GLN QE 1 116 ASN H 2.985 . 4.170 4.007 3.165 4.212 0.042 6 0 "[ . 1]" 1
1457 1 112 GLN QE 1 116 ASN QB 2.475 . 3.150 3.031 2.642 3.264 0.114 9 0 "[ . 1]" 1
1458 1 113 THR MG 1 119 LEU H 3.025 . 4.250 3.767 3.274 4.291 0.041 9 0 "[ . 1]" 1
1459 1 113 THR HA 1 113 THR MG 2.625 . 3.450 2.290 2.241 2.345 . 0 0 "[ . 1]" 1
1460 1 113 THR MG 1 118 ASN HB3 2.750 . 3.700 2.465 1.875 3.291 . 0 0 "[ . 1]" 1
1461 1 113 THR MG 1 118 ASN HB2 2.750 . 3.700 3.226 2.236 3.736 0.036 9 0 "[ . 1]" 1
1462 1 113 THR HA 1 116 ASN QB 2.995 . 4.190 2.313 2.079 2.593 . 0 0 "[ . 1]" 1
1463 1 113 THR MG 1 118 ASN HA 3.325 . 4.850 4.153 3.952 4.290 . 0 0 "[ . 1]" 1
1464 1 113 THR H 1 113 THR HB 2.650 . 3.500 2.600 2.473 2.699 . 0 0 "[ . 1]" 1
1465 1 113 THR HB 1 119 LEU HB3 2.695 . 3.590 3.359 3.026 3.595 0.005 3 0 "[ . 1]" 1
1466 1 113 THR HB 1 114 VAL H 2.745 . 3.690 2.877 2.697 2.980 . 0 0 "[ . 1]" 1
1467 1 113 THR MG 1 118 ASN H 3.065 . 4.330 3.113 2.948 3.466 . 0 0 "[ . 1]" 1
1468 1 113 THR H 1 116 ASN QB 3.585 . 5.370 4.675 4.478 4.828 . 0 0 "[ . 1]" 1
1469 1 113 THR H 1 113 THR MG 2.835 . 3.870 3.691 3.637 3.747 . 0 0 "[ . 1]" 1
1470 1 113 THR MG 1 114 VAL H 2.875 . 3.950 3.930 3.853 3.975 0.025 5 0 "[ . 1]" 1
1471 1 113 THR HA 1 116 ASN H 2.920 . 4.040 3.161 2.796 3.478 . 0 0 "[ . 1]" 1
1472 1 113 THR H 1 115 LEU H 3.225 . 4.650 4.001 3.789 4.198 . 0 0 "[ . 1]" 1
1473 1 113 THR H 1 116 ASN H 3.500 . 5.200 4.562 4.390 4.736 . 0 0 "[ . 1]" 1
1474 1 113 THR MG 1 117 GLY H 3.300 . 4.800 4.411 4.192 4.623 . 0 0 "[ . 1]" 1
1475 1 113 THR H 1 114 VAL MG2 3.015 . 4.230 3.619 3.437 3.924 . 0 0 "[ . 1]" 1
1476 1 113 THR HA 1 114 VAL MG2 3.620 . 5.440 4.924 4.831 5.048 . 0 0 "[ . 1]" 1
1477 1 113 THR HA 1 118 ASN QB 3.180 . 4.560 3.764 3.313 4.235 . 0 0 "[ . 1]" 1
1478 1 113 THR HB 1 114 VAL MG2 2.925 . 4.050 3.432 3.271 3.564 . 0 0 "[ . 1]" 1
1479 1 113 THR HB 1 119 LEU MD1 3.510 . 5.220 4.902 4.315 5.244 0.024 10 0 "[ . 1]" 1
1480 1 113 THR MG 1 119 LEU MD1 3.140 . 4.480 4.230 3.989 4.490 0.010 9 0 "[ . 1]" 1
1481 1 114 VAL HA 1 114 VAL MG2 2.815 . 3.130 2.506 2.422 2.553 . 0 0 "[ . 1]" 1
1482 1 114 VAL HA 1 114 VAL MG1 2.815 . 3.830 2.381 2.319 2.498 . 0 0 "[ . 1]" 1
1483 1 114 VAL H 1 114 VAL MG1 2.855 . 3.910 3.777 3.742 3.795 . 0 0 "[ . 1]" 1
1484 1 114 VAL HA 1 119 LEU HB3 2.745 . 3.690 2.339 2.158 2.456 . 0 0 "[ . 1]" 1
1485 1 114 VAL HB 1 115 LEU H 2.490 . 3.180 2.463 2.389 2.558 . 0 0 "[ . 1]" 1
1486 1 114 VAL MG2 1 119 LEU HB3 2.855 . 3.330 2.953 2.638 3.336 0.006 7 0 "[ . 1]" 1
1487 1 114 VAL HA 1 119 LEU HB2 3.350 . 4.900 3.713 3.557 3.869 . 0 0 "[ . 1]" 1
1488 1 114 VAL HB 1 115 LEU HA 3.410 . 5.020 4.134 4.030 4.312 . 0 0 "[ . 1]" 1
1489 1 114 VAL MG1 1 119 LEU HB3 2.855 . 3.910 3.887 3.803 3.954 0.044 7 0 "[ . 1]" 1
1490 1 114 VAL HA 1 119 LEU H 2.885 . 3.970 3.881 3.487 4.076 0.106 6 0 "[ . 1]" 1
1491 1 114 VAL H 1 115 LEU HG 3.140 . 4.480 4.048 3.924 4.158 . 0 0 "[ . 1]" 1
1492 1 114 VAL H 1 114 VAL HB 2.625 . 3.450 2.598 2.496 2.701 . 0 0 "[ . 1]" 1
1493 1 114 VAL H 1 115 LEU H 2.730 . 3.660 2.528 2.386 2.643 . 0 0 "[ . 1]" 1
1494 1 114 VAL H 1 116 ASN H 3.120 . 4.440 3.883 3.723 3.975 . 0 0 "[ . 1]" 1
1495 1 114 VAL H 1 114 VAL MG2 2.855 . 3.910 1.997 1.945 2.151 . 0 0 "[ . 1]" 1
1496 1 114 VAL HA 1 119 LEU MD1 3.035 . 4.270 2.081 1.957 2.259 . 0 0 "[ . 1]" 1
1497 1 114 VAL MG2 1 115 LEU H 2.855 . 3.910 3.625 3.523 3.801 . 0 0 "[ . 1]" 1
1498 1 114 VAL MG2 1 119 LEU HG 2.755 . 3.710 2.005 1.858 2.415 . 0 0 "[ . 1]" 1
1499 1 114 VAL MG1 1 119 LEU MD1 2.360 . 2.920 2.478 2.139 2.738 . 0 0 "[ . 1]" 1
1500 1 115 LEU HA 1 115 LEU QD 2.565 . 3.330 2.236 2.075 3.411 0.081 6 0 "[ . 1]" 1
1501 1 115 LEU HB3 1 115 LEU QD 2.580 . 3.360 2.126 2.112 2.148 . 0 0 "[ . 1]" 1
1502 1 115 LEU H 1 115 LEU HB2 2.945 . 4.090 2.659 2.520 3.643 . 0 0 "[ . 1]" 1
1503 1 115 LEU HA 1 116 ASN HA 3.480 . 5.160 4.746 4.712 4.785 . 0 0 "[ . 1]" 1
1504 1 115 LEU HB2 1 115 LEU QD 2.650 . 3.500 2.253 2.064 2.293 . 0 0 "[ . 1]" 1
1505 1 115 LEU HB2 1 116 ASN H 2.670 . 3.540 2.708 2.477 3.659 0.119 6 0 "[ . 1]" 1
1506 1 115 LEU QD 1 116 ASN H 3.030 . 4.260 3.857 2.267 4.112 . 0 0 "[ . 1]" 1
1507 1 115 LEU HG 1 117 GLY H 3.630 . 5.460 5.450 4.793 5.547 0.087 10 0 "[ . 1]" 1
1508 1 115 LEU H 1 115 LEU HG 2.325 . 2.850 2.086 1.969 2.210 . 0 0 "[ . 1]" 1
1509 1 115 LEU H 1 115 LEU HB3 2.845 . 3.890 3.510 2.848 3.601 . 0 0 "[ . 1]" 1
1510 1 115 LEU H 1 116 ASN H 2.745 . 3.690 2.574 2.472 2.666 . 0 0 "[ . 1]" 1
1511 1 115 LEU HA 1 116 ASN H 2.685 . 3.570 3.508 3.440 3.562 . 0 0 "[ . 1]" 1
1512 1 115 LEU HB3 1 116 ASN H 2.940 . 4.080 3.773 3.624 4.086 0.006 6 0 "[ . 1]" 1
1513 1 115 LEU QD 1 117 GLY H 3.510 . 5.220 4.876 4.234 5.035 . 0 0 "[ . 1]" 1
1514 1 115 LEU H 1 115 LEU QD 2.450 . 3.100 2.963 2.868 3.071 . 0 0 "[ . 1]" 1
1515 1 116 ASN HA 1 116 ASN QB 2.180 . 2.560 2.410 2.351 2.449 . 0 0 "[ . 1]" 1
1516 1 116 ASN HA 1 118 ASN H 3.190 . 4.580 4.467 4.293 4.588 0.008 4 0 "[ . 1]" 1
1517 1 116 ASN HA 1 117 GLY HA3 3.635 . 5.470 4.542 4.413 4.707 . 0 0 "[ . 1]" 1
1518 1 116 ASN HA 1 117 GLY HA2 3.635 . 5.470 5.143 5.037 5.276 . 0 0 "[ . 1]" 1
1519 1 116 ASN QB 1 118 ASN H 2.735 . 3.670 2.719 2.466 2.996 . 0 0 "[ . 1]" 1
1520 1 116 ASN QB 1 117 GLY H 2.805 . 3.810 2.968 2.735 3.235 . 0 0 "[ . 1]" 1
1521 1 116 ASN H 1 117 GLY H 2.565 . 3.330 2.462 2.382 2.561 . 0 0 "[ . 1]" 1
1522 1 116 ASN H 1 116 ASN QB 2.495 . 3.190 2.273 2.205 2.417 . 0 0 "[ . 1]" 1
1523 1 116 ASN H 1 118 ASN H 3.365 . 4.930 4.044 3.887 4.195 . 0 0 "[ . 1]" 1
1524 1 116 ASN H 1 118 ASN QB 3.505 . 5.210 5.116 4.846 5.273 0.063 5 0 "[ . 1]" 1
1525 1 116 ASN HA 1 117 GLY QA 3.255 . 4.710 4.257 4.158 4.392 . 0 0 "[ . 1]" 1
1526 1 116 ASN QB 1 117 GLY QA 3.150 . 4.500 4.193 4.107 4.337 . 0 0 "[ . 1]" 1
1527 1 117 GLY H 1 118 ASN H 2.685 . 3.570 2.500 2.368 2.633 . 0 0 "[ . 1]" 1
1528 1 117 GLY QA 1 119 LEU H 2.900 . 4.000 3.240 2.614 3.828 . 0 0 "[ . 1]" 1
1529 1 117 GLY QA 1 119 LEU MD1 2.635 . 3.470 2.915 2.316 3.729 0.259 7 0 "[ . 1]" 1
1530 1 118 ASN H 1 119 LEU HA 3.450 . 5.100 4.913 4.701 5.135 0.035 5 0 "[ . 1]" 1
1531 1 118 ASN HB3 1 119 LEU H 3.185 . 4.570 4.203 3.931 4.363 . 0 0 "[ . 1]" 1
1532 1 118 ASN H 1 119 LEU H 2.675 . 3.550 2.977 2.460 3.555 0.005 5 0 "[ . 1]" 1
1533 1 118 ASN HB2 1 119 LEU H 3.185 . 4.570 4.382 3.902 4.584 0.014 5 0 "[ . 1]" 1
1534 1 118 ASN H 1 118 ASN HB3 2.830 . 3.860 2.896 2.504 3.638 . 0 0 "[ . 1]" 1
1535 1 118 ASN HA 1 119 LEU H 2.645 . 3.490 2.758 2.430 3.013 . 0 0 "[ . 1]" 1
1536 1 118 ASN H 1 118 ASN HB2 2.830 . 3.860 2.567 2.285 2.751 . 0 0 "[ . 1]" 1
1537 1 118 ASN H 1 118 ASN QB 2.570 . 3.340 2.326 2.260 2.377 . 0 0 "[ . 1]" 1
1538 1 118 ASN QB 1 119 LEU H 2.880 . 3.960 3.802 3.622 3.971 0.011 5 0 "[ . 1]" 1
1539 1 119 LEU HA 1 119 LEU MD2 2.945 . 4.090 3.280 2.275 3.800 . 0 0 "[ . 1]" 1
1540 1 119 LEU HA 1 120 LYS H 2.610 . 3.420 2.010 1.844 2.162 . 0 0 "[ . 1]" 1
1541 1 119 LEU HB2 1 119 LEU MD1 2.935 . 4.070 3.130 3.107 3.148 . 0 0 "[ . 1]" 1
1542 1 119 LEU HB2 1 119 LEU MD2 2.935 . 4.070 2.334 2.252 2.518 . 0 0 "[ . 1]" 1
1543 1 119 LEU HB2 1 120 LYS H 3.310 . 4.820 3.782 3.026 4.304 . 0 0 "[ . 1]" 1
1544 1 119 LEU HA 1 119 LEU MD1 2.945 . 3.390 3.389 3.342 3.447 0.057 3 0 "[ . 1]" 1
1545 1 119 LEU MD2 1 120 LYS H 3.140 . 4.480 3.427 2.099 4.468 . 0 0 "[ . 1]" 1
1546 1 119 LEU H 1 120 LYS H 3.010 . 4.220 3.841 3.372 4.085 . 0 0 "[ . 1]" 1
1547 1 119 LEU H 1 119 LEU MD1 2.985 . 4.170 2.387 1.815 3.626 . 0 0 "[ . 1]" 1
1548 1 119 LEU H 1 119 LEU MD2 2.985 . 4.170 3.979 3.842 4.215 0.045 6 0 "[ . 1]" 1
1549 1 119 LEU H 1 120 LYS QG 3.210 . 4.620 4.694 4.633 4.757 0.137 6 0 "[ . 1]" 1
1550 1 119 LEU MD1 1 120 LYS H 3.140 . 3.750 3.804 3.319 4.041 0.291 8 0 "[ . 1]" 1
1551 1 119 LEU H 1 119 LEU HB3 2.415 . 3.030 2.853 2.545 3.086 0.056 5 0 "[ . 1]" 1
1552 1 119 LEU HB3 1 119 LEU MD1 2.350 . 2.900 2.458 2.158 2.623 . 0 0 "[ . 1]" 1
1553 1 119 LEU MD1 1 120 LYS HA 3.275 . 4.750 3.509 2.563 3.974 . 0 0 "[ . 1]" 1
1554 1 119 LEU MD2 1 120 LYS QB 3.540 . 5.280 4.454 4.139 5.021 . 0 0 "[ . 1]" 1
1555 1 120 LYS H 1 120 LYS QG 2.490 . 3.180 2.364 2.098 2.589 . 0 0 "[ . 1]" 1
1556 1 120 LYS H 1 121 VAL H 3.275 . 4.750 4.090 3.645 4.317 . 0 0 "[ . 1]" 1
1557 1 120 LYS HA 1 121 VAL H 2.535 . 3.270 2.151 1.970 2.305 . 0 0 "[ . 1]" 1
1558 1 120 LYS HA 1 121 VAL MG2 3.450 . 5.100 4.093 3.941 4.248 . 0 0 "[ . 1]" 1
1559 1 120 LYS QB 1 121 VAL H 2.645 . 3.490 3.348 3.125 3.564 0.074 8 0 "[ . 1]" 1
1560 1 121 VAL HA 1 122 ASP HA 3.650 . 5.500 4.332 4.272 4.403 . 0 0 "[ . 1]" 1
1561 1 121 VAL HA 1 122 ASP H 2.665 . 3.530 2.478 2.385 2.749 . 0 0 "[ . 1]" 1
1562 1 121 VAL HA 1 121 VAL MG2 2.710 . 3.080 3.152 3.146 3.164 0.084 2 0 "[ . 1]" 1
1563 1 121 VAL HA 1 121 VAL MG1 2.710 . 3.620 2.493 2.452 2.515 . 0 0 "[ . 1]" 1
1564 1 121 VAL H 1 121 VAL HB 2.795 . 3.790 3.797 3.721 3.854 0.064 9 0 "[ . 1]" 1
1565 1 121 VAL HB 1 122 ASP H 3.020 . 4.240 2.130 1.966 2.216 . 0 0 "[ . 1]" 1
1566 1 121 VAL H 1 122 ASP H 3.165 . 4.530 4.343 4.259 4.472 . 0 0 "[ . 1]" 1
1567 1 121 VAL MG1 1 122 ASP H 2.720 . 3.640 3.671 3.605 3.697 0.057 8 0 "[ . 1]" 1
1568 1 121 VAL MG2 1 122 ASP H 2.720 . 3.060 2.636 2.207 2.826 . 0 0 "[ . 1]" 1
1569 1 121 VAL H 1 121 VAL MG2 2.625 . 3.450 2.333 2.240 2.434 . 0 0 "[ . 1]" 1
1570 1 121 VAL MG2 1 122 ASP QB 2.990 . 4.180 4.325 4.269 4.364 0.184 10 0 "[ . 1]" 1
1571 1 122 ASP HA 1 123 PHE H 2.605 . 3.410 2.298 2.160 2.446 . 0 0 "[ . 1]" 1
1572 1 122 ASP H 1 122 ASP QB 2.595 . 3.390 2.700 2.526 2.939 . 0 0 "[ . 1]" 1
1573 1 122 ASP H 1 123 PHE H 3.305 . 4.810 4.380 4.178 4.495 . 0 0 "[ . 1]" 1
1574 1 122 ASP QB 1 123 PHE H 2.980 . 4.160 2.642 2.200 3.162 . 0 0 "[ . 1]" 1
1575 1 123 PHE H 1 124 MET HA 3.650 . 5.500 4.588 4.224 4.992 . 0 0 "[ . 1]" 1
1576 1 123 PHE H 1 123 PHE HB3 2.890 . 3.980 2.986 2.589 3.211 . 0 0 "[ . 1]" 1
1577 1 123 PHE H 1 123 PHE QD 3.195 . 4.590 4.448 4.247 4.541 . 0 0 "[ . 1]" 1
1578 1 123 PHE QD 1 124 MET H 2.970 . 4.140 2.923 2.627 3.294 . 0 0 "[ . 1]" 1
1579 1 123 PHE QD 1 125 GLU H 3.540 . 5.280 4.801 3.671 5.368 0.088 5 0 "[ . 1]" 1
1580 1 123 PHE H 1 123 PHE HB2 2.890 . 3.980 3.353 3.102 3.518 . 0 0 "[ . 1]" 1
1581 1 123 PHE HA 1 123 PHE QD 2.665 . 3.530 2.475 2.313 2.790 . 0 0 "[ . 1]" 1
1582 1 123 PHE QD 1 124 MET HA 3.650 . 5.500 4.581 4.407 4.727 . 0 0 "[ . 1]" 1
1583 1 123 PHE QB 1 124 MET H 3.035 . 4.270 3.366 2.812 3.717 . 0 0 "[ . 1]" 1
1584 1 124 MET HA 1 124 MET QG 2.765 . 3.730 2.958 2.409 3.580 . 0 0 "[ . 1]" 1
1585 1 124 MET HA 1 125 GLU HA 3.505 . 5.210 4.299 4.111 4.486 . 0 0 "[ . 1]" 1
1586 1 124 MET H 1 124 MET QB 2.730 . 3.660 2.652 2.409 3.188 . 0 0 "[ . 1]" 1
1587 1 124 MET H 1 124 MET QG 3.190 . 4.580 3.129 1.841 4.263 . 0 0 "[ . 1]" 1
1588 1 124 MET H 1 125 GLU H 3.270 . 4.740 4.279 4.013 4.500 . 0 0 "[ . 1]" 1
1589 1 124 MET QG 1 125 GLU H 3.235 . 4.670 3.772 2.579 4.504 . 0 0 "[ . 1]" 1
1590 1 125 GLU H 1 125 GLU HG2 3.570 . 5.340 3.592 1.986 4.501 . 0 0 "[ . 1]" 1
1591 1 125 GLU H 1 125 GLU HG3 3.570 . 5.340 3.637 1.979 4.638 . 0 0 "[ . 1]" 1
1592 1 125 GLU QB 1 126 THR HB 3.170 . 4.540 3.850 3.163 4.236 . 0 0 "[ . 1]" 1
1593 1 125 GLU HA 1 126 THR H 2.650 . 3.500 3.447 3.124 3.566 0.066 10 0 "[ . 1]" 1
1594 1 125 GLU H 1 125 GLU QB 2.715 . 3.630 2.550 2.125 3.380 . 0 0 "[ . 1]" 1
1595 1 125 GLU QB 1 126 THR H 2.775 . 3.750 2.195 1.748 2.779 0.052 1 0 "[ . 1]" 1
1596 1 125 GLU H 1 125 GLU QG 3.185 . 4.570 3.029 1.961 4.024 . 0 0 "[ . 1]" 1
1597 1 125 GLU QG 1 126 THR H 3.120 . 4.440 3.684 2.531 4.329 . 0 0 "[ . 1]" 1
1598 1 126 THR HA 1 126 THR MG 2.760 . 3.720 2.794 2.297 3.241 . 0 0 "[ . 1]" 1
1599 1 126 THR H 1 126 THR MG 2.945 . 4.090 3.103 2.048 3.997 . 0 0 "[ . 1]" 1
1600 1 126 THR MG 1 127 GLU H 3.650 . 5.500 3.229 1.774 3.963 0.026 9 0 "[ . 1]" 1
1601 1 126 THR HB 1 127 GLU H 3.650 . 5.500 3.930 3.290 4.448 . 0 0 "[ . 1]" 1
1602 1 127 GLU HA 1 127 GLU QB 2.375 . 2.950 2.399 2.228 2.512 . 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 64
_Distance_constraint_stats_list.Viol_count 96
_Distance_constraint_stats_list.Viol_total 35.198
_Distance_constraint_stats_list.Viol_max 0.138
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0367
_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 9 ARG 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.034 0.034 2 0 "[ . 1]"
1 13 ASP 0.081 0.038 7 0 "[ . 1]"
1 14 ASP 0.091 0.050 4 0 "[ . 1]"
1 15 VAL 0.000 0.000 . 0 "[ . 1]"
1 16 LYS 0.109 0.062 8 0 "[ . 1]"
1 17 SER 0.156 0.038 7 0 "[ . 1]"
1 18 ILE 0.091 0.050 4 0 "[ . 1]"
1 19 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 ARG 0.087 0.062 8 0 "[ . 1]"
1 21 PHE 0.368 0.066 1 0 "[ . 1]"
1 22 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 GLN 0.000 0.000 . 0 "[ . 1]"
1 24 GLU 0.012 0.007 6 0 "[ . 1]"
1 25 HIS 0.293 0.066 1 0 "[ . 1]"
1 45 MET 0.006 0.006 7 0 "[ . 1]"
1 46 ASN 0.115 0.064 8 0 "[ . 1]"
1 47 MET 0.050 0.040 6 0 "[ . 1]"
1 48 LEU 0.000 0.000 . 0 "[ . 1]"
1 49 VAL 0.031 0.018 5 0 "[ . 1]"
1 50 ASP 0.115 0.064 8 0 "[ . 1]"
1 51 ILE 0.050 0.040 6 0 "[ . 1]"
1 52 PHE 0.000 0.000 . 0 "[ . 1]"
1 53 LEU 0.025 0.018 5 0 "[ . 1]"
1 73 ARG 0.125 0.067 4 0 "[ . 1]"
1 74 HIS 0.377 0.081 8 0 "[ . 1]"
1 75 ASN 0.233 0.066 2 0 "[ . 1]"
1 76 ALA 0.031 0.030 8 0 "[ . 1]"
1 77 GLU 0.639 0.114 3 0 "[ . 1]"
1 78 ARG 0.452 0.081 8 0 "[ . 1]"
1 79 LEU 0.233 0.066 2 0 "[ . 1]"
1 80 PHE 0.243 0.057 5 0 "[ . 1]"
1 81 LYS 1.187 0.114 3 0 "[ . 1]"
1 82 LYS 0.075 0.024 2 0 "[ . 1]"
1 83 LEU 0.000 0.000 . 0 "[ . 1]"
1 84 ILE 0.212 0.057 5 0 "[ . 1]"
1 85 LEU 0.673 0.102 8 0 "[ . 1]"
1 90 ASP 0.060 0.028 10 0 "[ . 1]"
1 92 ASP 0.000 0.000 . 0 "[ . 1]"
1 94 TYR 0.178 0.138 4 0 "[ . 1]"
1 102 ILE 0.178 0.138 4 0 "[ . 1]"
1 104 TYR 0.000 0.000 . 0 "[ . 1]"
1 106 MET 0.060 0.028 10 0 "[ . 1]"
1 110 LYS 0.132 0.037 6 0 "[ . 1]"
1 111 ALA 0.053 0.024 3 0 "[ . 1]"
1 114 VAL 0.132 0.037 6 0 "[ . 1]"
1 115 LEU 0.053 0.024 3 0 "[ . 1]"
1 123 PHE 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 THR O 1 16 LYS N 2.800 2.400 3.300 2.776 2.614 3.142 . 0 0 "[ . 1]" 2
2 1 12 THR O 1 16 LYS H 1.800 . 2.300 1.956 1.754 2.334 0.034 2 0 "[ . 1]" 2
3 1 13 ASP O 1 17 SER N 2.800 2.400 3.300 2.996 2.660 3.245 . 0 0 "[ . 1]" 2
4 1 13 ASP O 1 17 SER H 1.800 . 2.300 2.088 1.721 2.338 0.038 7 0 "[ . 1]" 2
5 1 14 ASP O 1 18 ILE N 2.800 2.400 3.300 3.040 2.677 3.322 0.022 4 0 "[ . 1]" 2
6 1 14 ASP O 1 18 ILE H 1.800 . 2.300 2.104 1.756 2.350 0.050 4 0 "[ . 1]" 2
7 1 15 VAL O 1 19 VAL N 2.800 2.400 3.300 2.872 2.703 3.034 . 0 0 "[ . 1]" 2
8 1 15 VAL O 1 19 VAL H 1.800 . 2.300 1.923 1.772 2.141 . 0 0 "[ . 1]" 2
9 1 16 LYS O 1 20 ARG N 2.800 2.400 3.300 2.851 2.671 3.313 0.013 8 0 "[ . 1]" 2
10 1 16 LYS O 1 20 ARG H 1.800 . 2.300 1.911 1.720 2.362 0.062 8 0 "[ . 1]" 2
11 1 17 SER O 1 21 PHE N 2.800 2.400 3.300 3.086 2.898 3.282 . 0 0 "[ . 1]" 2
12 1 17 SER O 1 21 PHE H 1.800 . 2.300 2.164 1.949 2.333 0.033 9 0 "[ . 1]" 2
13 1 18 ILE O 1 22 VAL N 2.800 2.400 3.300 2.896 2.647 3.146 . 0 0 "[ . 1]" 2
14 1 18 ILE O 1 22 VAL H 1.800 . 2.300 1.948 1.722 2.201 . 0 0 "[ . 1]" 2
15 1 19 VAL O 1 23 GLN N 2.800 2.400 3.300 2.797 2.723 3.002 . 0 0 "[ . 1]" 2
16 1 19 VAL O 1 23 GLN H 1.800 . 2.300 1.839 1.766 2.026 . 0 0 "[ . 1]" 2
17 1 20 ARG O 1 24 GLU N 2.800 2.400 3.300 2.915 2.681 3.240 . 0 0 "[ . 1]" 2
18 1 20 ARG O 1 24 GLU H 1.800 . 2.300 1.968 1.697 2.307 0.007 6 0 "[ . 1]" 2
19 1 21 PHE O 1 25 HIS N 2.800 2.400 3.300 2.948 2.750 3.195 . 0 0 "[ . 1]" 2
20 1 21 PHE O 1 25 HIS H 1.800 . 2.300 2.273 2.041 2.366 0.066 1 0 "[ . 1]" 2
21 1 45 MET O 1 49 VAL N 2.800 2.400 3.300 3.055 2.935 3.215 . 0 0 "[ . 1]" 2
22 1 45 MET O 1 49 VAL H 1.800 . 2.300 2.186 1.983 2.306 0.006 7 0 "[ . 1]" 2
23 1 46 ASN O 1 50 ASP N 2.800 2.400 3.300 3.146 2.873 3.284 . 0 0 "[ . 1]" 2
24 1 46 ASN O 1 50 ASP H 1.800 . 2.300 2.216 1.945 2.364 0.064 8 0 "[ . 1]" 2
25 1 47 MET O 1 51 ILE N 2.800 2.400 3.300 3.023 2.797 3.261 . 0 0 "[ . 1]" 2
26 1 47 MET O 1 51 ILE H 1.800 . 2.300 2.081 1.846 2.340 0.040 6 0 "[ . 1]" 2
27 1 48 LEU O 1 52 PHE N 2.800 2.400 3.300 2.784 2.680 2.887 . 0 0 "[ . 1]" 2
28 1 48 LEU O 1 52 PHE H 1.800 . 2.300 1.893 1.757 2.139 . 0 0 "[ . 1]" 2
29 1 49 VAL O 1 53 LEU N 2.800 2.400 3.300 3.021 2.785 3.244 . 0 0 "[ . 1]" 2
30 1 49 VAL O 1 53 LEU H 1.800 . 2.300 2.081 1.846 2.318 0.018 5 0 "[ . 1]" 2
31 1 73 ARG O 1 77 GLU N 2.800 2.400 3.300 2.995 2.735 3.317 0.017 4 0 "[ . 1]" 2
32 1 73 ARG O 1 77 GLU H 1.800 . 2.300 2.047 1.768 2.367 0.067 4 0 "[ . 1]" 2
33 1 74 HIS O 1 78 ARG N 2.800 2.400 3.300 3.000 2.757 3.158 . 0 0 "[ . 1]" 2
34 1 74 HIS O 1 78 ARG H 1.800 . 2.300 2.266 1.895 2.381 0.081 8 0 "[ . 1]" 2
35 1 75 ASN O 1 79 LEU N 2.800 2.400 3.300 3.076 2.923 3.210 . 0 0 "[ . 1]" 2
36 1 75 ASN O 1 79 LEU H 1.800 . 2.300 2.296 2.130 2.366 0.066 2 0 "[ . 1]" 2
37 1 76 ALA O 1 80 PHE N 2.800 2.400 3.300 3.070 2.881 3.301 0.001 8 0 "[ . 1]" 2
38 1 76 ALA O 1 80 PHE H 1.800 . 2.300 2.104 1.898 2.330 0.030 8 0 "[ . 1]" 2
39 1 77 GLU O 1 81 LYS N 2.800 2.400 3.300 3.019 2.877 3.139 . 0 0 "[ . 1]" 2
40 1 77 GLU O 1 81 LYS H 1.800 . 2.300 2.350 2.288 2.414 0.114 3 0 "[ . 1]" 2
41 1 78 ARG O 1 82 LYS N 2.800 2.400 3.300 2.913 2.778 3.002 . 0 0 "[ . 1]" 2
42 1 78 ARG O 1 82 LYS H 1.800 . 2.300 2.246 2.007 2.324 0.024 2 0 "[ . 1]" 2
43 1 79 LEU O 1 83 LEU N 2.800 2.400 3.300 2.795 2.687 3.004 . 0 0 "[ . 1]" 2
44 1 79 LEU O 1 83 LEU H 1.800 . 2.300 1.822 1.717 2.051 . 0 0 "[ . 1]" 2
45 1 80 PHE O 1 84 ILE N 2.800 2.400 3.300 3.149 2.981 3.244 . 0 0 "[ . 1]" 2
46 1 80 PHE O 1 84 ILE H 1.800 . 2.300 2.307 2.166 2.357 0.057 5 0 "[ . 1]" 2
47 1 81 LYS O 1 85 LEU N 2.800 2.400 3.300 3.215 3.109 3.263 . 0 0 "[ . 1]" 2
48 1 81 LYS O 1 85 LEU H 1.800 . 2.300 2.367 2.332 2.402 0.102 8 0 "[ . 1]" 2
49 1 110 LYS O 1 114 VAL N 2.800 2.400 3.300 3.088 2.867 3.200 . 0 0 "[ . 1]" 2
50 1 110 LYS O 1 114 VAL H 1.800 . 2.300 2.277 2.055 2.337 0.037 6 0 "[ . 1]" 2
51 1 111 ALA O 1 115 LEU N 2.800 2.400 3.300 3.100 2.827 3.253 . 0 0 "[ . 1]" 2
52 1 111 ALA O 1 115 LEU H 1.800 . 2.300 2.193 1.922 2.324 0.024 3 0 "[ . 1]" 2
53 1 90 ASP O 1 106 MET H 2.000 . 2.500 2.315 2.061 2.528 0.028 10 0 "[ . 1]" 2
54 1 90 ASP O 1 106 MET N 3.000 2.300 3.500 3.051 2.849 3.203 . 0 0 "[ . 1]" 2
55 1 90 ASP N 1 106 MET O 3.000 2.300 3.500 2.977 2.796 3.368 . 0 0 "[ . 1]" 2
56 1 92 ASP O 1 104 TYR H 2.000 . 2.500 1.957 1.813 2.250 . 0 0 "[ . 1]" 2
57 1 92 ASP O 1 104 TYR N 3.000 2.300 3.500 2.884 2.765 3.134 . 0 0 "[ . 1]" 2
58 1 92 ASP N 1 104 TYR O 3.000 2.300 3.500 2.881 2.621 3.126 . 0 0 "[ . 1]" 2
59 1 94 TYR O 1 102 ILE H 2.000 . 2.500 1.922 1.717 2.638 0.138 4 0 "[ . 1]" 2
60 1 94 TYR O 1 102 ILE N 3.000 2.300 3.500 2.819 2.701 3.340 . 0 0 "[ . 1]" 2
61 1 94 TYR N 1 102 ILE O 3.000 2.300 3.500 2.959 2.763 3.417 . 0 0 "[ . 1]" 2
62 1 9 ARG O 1 123 PHE H 2.000 . 2.500 2.007 1.783 2.347 . 0 0 "[ . 1]" 2
63 1 9 ARG O 1 123 PHE N 3.000 2.300 3.500 2.867 2.743 3.106 . 0 0 "[ . 1]" 2
64 1 9 ARG N 1 123 PHE O 3.000 2.300 3.500 3.239 2.937 3.469 . 0 0 "[ . 1]" 2
stop_
save_
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