NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
635439 |
6drf   |
27305 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6drf
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 943
_Distance_constraint_stats_list.Viol_count 2077
_Distance_constraint_stats_list.Viol_total 2207.079
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0554
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0234
_Distance_constraint_stats_list.Viol_average_violations_only 0.1063
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 ARG 1.196 0.350 5 0 "[ . 1]"
1 3 SER 0.967 0.198 1 0 "[ . 1]"
1 4 PRO 0.270 0.105 7 0 "[ . 1]"
1 5 ALA 1.237 0.198 1 0 "[ . 1]"
1 6 GLU 4.028 0.350 5 0 "[ . 1]"
1 7 MET 2.085 0.218 4 0 "[ . 1]"
1 8 VAL 0.061 0.061 5 0 "[ . 1]"
1 9 LEU 2.326 0.184 4 0 "[ . 1]"
1 10 GLU 4.083 0.388 4 0 "[ . 1]"
1 11 THR 2.766 0.302 10 0 "[ . 1]"
1 12 LEU 3.680 0.302 10 0 "[ . 1]"
1 13 MET 6.250 0.229 10 0 "[ . 1]"
1 14 MET 7.076 0.388 4 0 "[ . 1]"
1 15 GLU 5.741 0.491 5 0 "[ . 1]"
1 16 LEU 5.377 0.229 10 0 "[ . 1]"
1 17 THR 9.054 0.223 4 0 "[ . 1]"
1 18 GLY 4.883 0.243 6 0 "[ . 1]"
1 19 GLN 5.820 0.226 9 0 "[ . 1]"
1 20 MET 7.571 0.209 4 0 "[ . 1]"
1 21 ARG 2.639 0.204 9 0 "[ . 1]"
1 22 GLU 2.829 0.243 6 0 "[ . 1]"
1 23 ALA 4.075 0.181 7 0 "[ . 1]"
1 24 GLU 0.888 0.208 10 0 "[ . 1]"
1 26 GLN 0.659 0.146 8 0 "[ . 1]"
1 27 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 ARG 0.659 0.146 8 0 "[ . 1]"
1 29 GLU 0.000 0.000 . 0 "[ . 1]"
1 30 ARG 0.779 0.219 7 0 "[ . 1]"
1 31 SER 1.232 0.260 5 0 "[ . 1]"
1 32 ASN 3.012 0.260 5 0 "[ . 1]"
1 33 ALA 3.807 0.279 3 0 "[ . 1]"
1 34 VAL 4.628 0.279 3 0 "[ . 1]"
1 35 ARG 2.429 0.248 3 0 "[ . 1]"
1 37 VAL 0.572 0.157 4 0 "[ . 1]"
1 39 THR 0.639 0.366 7 0 "[ . 1]"
1 41 VAL 2.025 0.366 7 0 "[ . 1]"
1 42 ASP 1.602 0.272 9 0 "[ . 1]"
1 43 TYR 2.063 0.341 5 0 "[ . 1]"
1 44 SER 1.335 0.289 10 0 "[ . 1]"
1 45 TRP 4.229 0.341 5 0 "[ . 1]"
1 46 LEU 2.693 0.223 3 0 "[ . 1]"
1 47 ALA 1.818 0.259 4 0 "[ . 1]"
1 48 SER 0.762 0.259 4 0 "[ . 1]"
1 49 THR 0.040 0.040 4 0 "[ . 1]"
1 50 PRO 1.426 0.289 4 0 "[ . 1]"
1 51 ASP 2.464 0.289 4 0 "[ . 1]"
1 52 SER 2.290 0.248 5 0 "[ . 1]"
1 53 THR 3.394 0.268 3 0 "[ . 1]"
1 54 TYR 5.081 0.293 9 0 "[ . 1]"
1 55 ASP 3.924 0.293 9 0 "[ . 1]"
1 56 LEU 3.831 0.272 8 0 "[ . 1]"
1 57 SER 3.836 0.272 8 0 "[ . 1]"
1 58 PRO 1.494 0.190 3 0 "[ . 1]"
1 59 ILE 6.873 0.238 8 0 "[ . 1]"
1 60 GLU 4.248 0.228 10 0 "[ . 1]"
1 61 ARG 5.657 0.225 3 0 "[ . 1]"
1 62 LEU 6.004 0.258 1 0 "[ . 1]"
1 63 GLN 1.288 0.129 7 0 "[ . 1]"
1 64 LEU 4.852 0.227 8 0 "[ . 1]"
1 65 GLU 9.646 0.258 1 0 "[ . 1]"
1 66 ASP 6.014 0.201 10 0 "[ . 1]"
1 67 VAL 4.448 0.225 8 0 "[ . 1]"
1 68 CYS 3.282 0.236 6 0 "[ . 1]"
1 69 VAL 2.964 0.248 7 0 "[ . 1]"
1 70 LYS 0.230 0.138 10 0 "[ . 1]"
1 71 ILE 4.639 0.246 6 0 "[ . 1]"
1 72 HIS 3.027 0.246 6 0 "[ . 1]"
1 74 SER 0.000 0.000 . 0 "[ . 1]"
1 75 TYR 2.774 0.285 6 0 "[ . 1]"
1 76 CYS 5.482 0.285 6 0 "[ . 1]"
1 77 GLY 4.838 0.190 10 0 "[ . 1]"
1 79 ALA 7.106 0.283 9 0 "[ . 1]"
1 80 ILE 7.264 0.283 9 0 "[ . 1]"
1 81 LEU 3.599 0.234 10 0 "[ . 1]"
1 82 ARG 0.950 0.130 3 0 "[ . 1]"
1 83 PHE 6.771 0.491 5 0 "[ . 1]"
1 84 ARG 2.580 0.236 3 0 "[ . 1]"
1 85 GLN 0.028 0.028 9 0 "[ . 1]"
1 86 LEU 7.740 0.281 3 0 "[ . 1]"
1 87 LEU 8.324 0.316 10 0 "[ . 1]"
1 88 ALA 11.918 0.316 10 0 "[ . 1]"
1 89 GLU 6.029 0.248 9 0 "[ . 1]"
1 90 GLN 6.610 0.256 10 0 "[ . 1]"
1 91 GLU 1.684 0.259 3 0 "[ . 1]"
1 92 PRO 0.000 0.000 . 0 "[ . 1]"
1 93 GLU 4.888 0.471 2 0 "[ . 1]"
1 94 VAL 8.077 0.352 6 0 "[ . 1]"
1 95 GLN 6.771 0.471 2 0 "[ . 1]"
1 96 GLU 5.131 0.247 5 0 "[ . 1]"
1 97 VAL 7.048 0.250 5 0 "[ . 1]"
1 98 SER 10.763 0.250 5 0 "[ . 1]"
1 99 GLN 6.671 0.207 1 0 "[ . 1]"
1 100 LEU 7.505 0.258 3 0 "[ . 1]"
1 101 PHE 11.961 0.228 9 0 "[ . 1]"
1 102 ARG 3.549 0.300 6 0 "[ . 1]"
1 103 SER 8.137 0.300 6 0 "[ . 1]"
1 104 VAL 6.970 0.228 7 0 "[ . 1]"
1 105 LEU 4.855 0.228 7 0 "[ . 1]"
1 106 GLN 4.248 0.266 10 0 "[ . 1]"
1 107 GLU 8.111 0.243 3 0 "[ . 1]"
1 108 VAL 3.657 0.269 2 0 "[ . 1]"
1 109 LEU 2.854 0.269 2 0 "[ . 1]"
1 111 ARG 1.713 0.180 7 0 "[ . 1]"
1 112 MET 3.940 0.255 3 0 "[ . 1]"
1 113 LYS 2.345 0.255 3 0 "[ . 1]"
1 114 GLN 0.311 0.204 7 0 "[ . 1]"
1 116 GLU 0.062 0.030 1 0 "[ . 1]"
1 117 GLU 0.000 0.000 . 0 "[ . 1]"
1 118 ALA 0.195 0.031 9 0 "[ . 1]"
1 119 HIS 0.132 0.031 9 0 "[ . 1]"
1 121 LEU 1.253 0.297 3 0 "[ . 1]"
1 122 THR 0.373 0.221 6 0 "[ . 1]"
1 123 ARG 1.290 0.352 6 0 "[ . 1]"
1 124 GLN 4.038 0.352 6 0 "[ . 1]"
1 125 TRP 2.149 0.340 1 0 "[ . 1]"
1 126 SER 0.257 0.142 7 0 "[ . 1]"
1 127 LEU 0.944 0.192 4 0 "[ . 1]"
1 128 ARG 0.424 0.159 10 0 "[ . 1]"
1 129 PRO 0.595 0.159 10 0 "[ . 1]"
1 130 ARG 0.170 0.091 4 0 "[ . 1]"
1 133 LEU 0.147 0.079 5 0 "[ . 1]"
1 134 ALA 0.000 0.000 . 0 "[ . 1]"
1 135 THR 0.000 0.000 . 0 "[ . 1]"
1 136 PHE 2.126 0.353 5 0 "[ . 1]"
1 137 GLU 1.495 0.202 6 0 "[ . 1]"
1 138 THR 3.051 0.349 7 0 "[ . 1]"
1 139 GLU 3.233 0.353 5 0 "[ . 1]"
1 140 ALA 1.505 0.334 1 0 "[ . 1]"
1 141 GLU 0.661 0.130 9 0 "[ . 1]"
1 142 ILE 1.742 0.284 9 0 "[ . 1]"
1 143 ASP 1.577 0.284 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 2 ARG QB 1 3 SER H 3.500 . 3.500 2.935 2.426 3.509 0.009 4 0 "[ . 1]" 1
2 1 2 ARG HA 1 3 SER H 2.860 . 2.860 2.271 2.171 2.404 . 0 0 "[ . 1]" 1
3 1 3 SER H 1 6 GLU H 4.150 . 4.150 4.053 3.727 4.275 0.125 4 0 "[ . 1]" 1
4 1 3 SER HA 1 6 GLU H 5.170 . 5.170 4.825 4.609 5.086 . 0 0 "[ . 1]" 1
5 1 3 SER HA 1 8 VAL MG2 9.620 . 9.620 7.440 7.124 9.436 . 0 0 "[ . 1]" 1
6 1 3 SER H 1 5 ALA H 4.930 . 4.930 4.837 4.513 5.128 0.198 1 0 "[ . 1]" 1
7 1 4 PRO QB 1 5 ALA H 4.070 . 4.070 2.954 2.667 3.317 . 0 0 "[ . 1]" 1
8 1 4 PRO HA 1 6 GLU H 4.180 . 4.180 4.146 3.968 4.285 0.105 7 0 "[ . 1]" 1
9 1 5 ALA H 1 6 GLU HA 5.280 . 5.280 5.307 5.270 5.369 0.089 9 0 "[ . 1]" 1
10 1 5 ALA H 1 6 GLU H 2.900 . 2.900 2.756 2.710 2.802 . 0 0 "[ . 1]" 1
11 1 5 ALA H 1 8 VAL H 4.980 . 4.980 4.849 4.744 4.935 . 0 0 "[ . 1]" 1
12 1 5 ALA MB 1 6 GLU H 3.580 . 3.580 2.660 2.542 2.734 . 0 0 "[ . 1]" 1
13 1 5 ALA MB 1 69 VAL H 4.980 . 4.980 4.248 3.903 4.634 . 0 0 "[ . 1]" 1
14 1 5 ALA H 1 69 VAL MG1 6.750 . 6.750 5.232 4.980 5.434 . 0 0 "[ . 1]" 1
15 1 5 ALA H 1 69 VAL MG2 6.900 . 6.900 5.653 5.117 6.973 0.073 1 0 "[ . 1]" 1
16 1 5 ALA MB 1 69 VAL MG2 4.330 . 4.330 2.556 2.119 3.905 . 0 0 "[ . 1]" 1
17 1 5 ALA MB 1 69 VAL HA 3.420 . 3.420 2.221 1.858 2.562 . 0 0 "[ . 1]" 1
18 1 5 ALA HA 1 7 MET ME 5.550 . 5.550 5.365 4.551 5.650 0.100 5 0 "[ . 1]" 1
19 1 5 ALA MB 1 71 ILE H 7.300 . 7.300 5.048 4.446 5.895 . 0 0 "[ . 1]" 1
20 1 6 GLU H 1 9 LEU MD1 7.210 . 7.210 4.461 4.059 5.347 . 0 0 "[ . 1]" 1
21 1 6 GLU HA 1 8 VAL H 4.960 . 4.960 4.420 4.173 4.611 . 0 0 "[ . 1]" 1
22 1 6 GLU H 1 8 VAL QG 5.800 . 5.800 4.339 3.912 5.047 . 0 0 "[ . 1]" 1
23 1 6 GLU H 1 8 VAL H 4.470 . 4.470 4.093 3.908 4.212 . 0 0 "[ . 1]" 1
24 1 6 GLU H 1 7 MET H 3.120 . 3.120 2.602 2.437 2.725 . 0 0 "[ . 1]" 1
25 1 7 MET ME 1 9 LEU QD 8.670 . 8.670 6.642 5.977 7.210 . 0 0 "[ . 1]" 1
26 1 8 VAL HA 1 11 THR H 3.700 . 3.700 3.417 3.142 3.632 . 0 0 "[ . 1]" 1
27 1 8 VAL QG 1 71 ILE H 7.040 . 7.040 4.148 3.626 4.951 . 0 0 "[ . 1]" 1
28 1 8 VAL QG 1 76 CYS QB 4.450 . 4.450 2.199 1.842 2.506 . 0 0 "[ . 1]" 1
29 1 8 VAL MG2 1 76 CYS QB 5.680 . 5.680 2.850 1.915 3.560 . 0 0 "[ . 1]" 1
30 1 8 VAL HB 1 68 CYS QB 5.500 . 5.500 4.084 3.029 5.386 . 0 0 "[ . 1]" 1
31 1 8 VAL MG1 1 76 CYS QB 4.450 . 4.450 2.575 1.860 4.083 . 0 0 "[ . 1]" 1
32 1 8 VAL HA 1 12 LEU H 4.370 . 4.370 4.213 3.980 4.431 0.061 5 0 "[ . 1]" 1
33 1 9 LEU MD1 1 65 GLU H 7.270 . 7.270 5.129 4.249 5.693 . 0 0 "[ . 1]" 1
34 1 9 LEU MD1 1 69 VAL H 4.350 . 4.350 3.834 3.036 4.378 0.028 9 0 "[ . 1]" 1
35 1 9 LEU MD1 1 13 MET QB 6.750 . 6.750 5.596 5.288 5.902 . 0 0 "[ . 1]" 1
36 1 9 LEU MD1 1 76 CYS QB 7.820 . 7.820 7.437 6.590 7.937 0.117 8 0 "[ . 1]" 1
37 1 9 LEU MD1 1 68 CYS QB 3.950 . 3.950 2.751 1.903 3.538 . 0 0 "[ . 1]" 1
38 1 9 LEU MD2 1 12 LEU H 7.450 . 7.450 5.422 4.688 6.672 . 0 0 "[ . 1]" 1
39 1 9 LEU MD2 1 13 MET ME 6.350 . 6.350 3.690 2.531 5.305 . 0 0 "[ . 1]" 1
40 1 9 LEU QD 1 10 GLU H 5.200 . 5.200 3.863 3.340 4.177 . 0 0 "[ . 1]" 1
41 1 9 LEU QD 1 11 THR H 6.720 . 6.720 5.267 4.732 5.656 . 0 0 "[ . 1]" 1
42 1 9 LEU HG 1 11 THR H 6.410 . 6.410 6.437 6.102 6.594 0.184 4 0 "[ . 1]" 1
43 1 9 LEU QB 1 10 GLU H 3.100 . 3.100 2.533 2.383 2.708 . 0 0 "[ . 1]" 1
44 1 10 GLU QB 1 12 LEU H 5.440 . 5.440 4.720 4.557 4.883 . 0 0 "[ . 1]" 1
45 1 10 GLU H 1 11 THR HB 5.940 . 5.940 5.352 4.829 6.186 0.246 5 0 "[ . 1]" 1
46 1 10 GLU QB 1 11 THR H 3.000 . 3.000 2.504 2.303 2.875 . 0 0 "[ . 1]" 1
47 1 10 GLU H 1 11 THR H 2.930 . 2.930 2.642 2.503 2.788 . 0 0 "[ . 1]" 1
48 1 10 GLU H 1 12 LEU H 4.250 . 4.250 4.213 3.927 4.406 0.156 4 0 "[ . 1]" 1
49 1 10 GLU QG 1 11 THR H 4.330 . 4.330 3.814 3.460 4.106 . 0 0 "[ . 1]" 1
50 1 11 THR H 1 12 LEU HG 6.590 . 6.590 6.331 4.350 6.892 0.302 10 0 "[ . 1]" 1
51 1 11 THR HA 1 14 MET ME 5.690 . 5.690 2.454 1.899 3.706 . 0 0 "[ . 1]" 1
52 1 11 THR H 1 14 MET ME 4.480 . 4.480 4.027 3.588 4.631 0.151 2 0 "[ . 1]" 1
53 1 11 THR HB 1 14 MET ME 6.450 . 6.450 4.810 4.127 5.937 . 0 0 "[ . 1]" 1
54 1 11 THR MG 1 14 MET ME 7.860 . 7.860 3.374 2.659 4.405 . 0 0 "[ . 1]" 1
55 1 11 THR H 1 12 LEU H 3.270 . 3.270 2.712 2.454 2.856 . 0 0 "[ . 1]" 1
56 1 11 THR HA 1 12 LEU H 3.450 . 3.450 3.525 3.499 3.544 0.094 9 0 "[ . 1]" 1
57 1 11 THR MG 1 13 MET H 6.450 . 6.450 5.370 5.156 5.750 . 0 0 "[ . 1]" 1
58 1 11 THR HB 1 12 LEU H 3.770 . 3.770 2.882 2.531 3.765 . 0 0 "[ . 1]" 1
59 1 12 LEU QD 1 101 PHE QE 4.580 . 4.580 2.860 2.110 3.359 . 0 0 "[ . 1]" 1
60 1 12 LEU QD 1 16 LEU H 6.050 . 6.050 5.150 4.346 5.449 . 0 0 "[ . 1]" 1
61 1 12 LEU H 1 13 MET HA 5.050 . 5.050 5.129 5.076 5.274 0.224 10 0 "[ . 1]" 1
62 1 12 LEU H 1 105 LEU MD2 8.540 . 8.540 6.588 6.450 6.814 . 0 0 "[ . 1]" 1
63 1 12 LEU QD 1 17 THR H 7.950 . 7.950 6.793 6.095 7.090 . 0 0 "[ . 1]" 1
64 1 12 LEU H 1 101 PHE QE 5.870 . 5.870 5.720 5.392 6.055 0.185 10 0 "[ . 1]" 1
65 1 12 LEU H 1 68 CYS QB 6.540 . 6.540 5.599 4.915 6.201 . 0 0 "[ . 1]" 1
66 1 12 LEU QD 1 16 LEU MD2 8.960 . 8.960 4.808 4.295 5.236 . 0 0 "[ . 1]" 1
67 1 12 LEU QD 1 76 CYS H 6.570 . 6.570 5.476 4.896 6.234 . 0 0 "[ . 1]" 1
68 1 12 LEU HG 1 80 ILE MD 5.020 . 5.020 3.068 2.128 4.909 . 0 0 "[ . 1]" 1
69 1 12 LEU HG 1 80 ILE MG 8.470 . 8.470 5.781 4.879 6.946 . 0 0 "[ . 1]" 1
70 1 12 LEU QD 1 76 CYS QB 4.070 . 4.070 3.553 3.112 4.209 0.139 10 0 "[ . 1]" 1
71 1 13 MET ME 1 64 LEU H 6.250 . 6.250 4.813 4.480 5.062 . 0 0 "[ . 1]" 1
72 1 13 MET ME 1 101 PHE HZ 6.390 . 6.390 2.835 2.150 3.411 . 0 0 "[ . 1]" 1
73 1 13 MET ME 1 101 PHE QE 6.130 . 6.130 2.579 1.996 3.092 . 0 0 "[ . 1]" 1
74 1 13 MET ME 1 101 PHE QD 6.130 . 6.130 4.345 3.823 4.726 . 0 0 "[ . 1]" 1
75 1 13 MET ME 1 16 LEU MD2 4.750 . 4.750 2.924 2.036 4.922 0.172 5 0 "[ . 1]" 1
76 1 13 MET H 1 14 MET ME 6.140 . 6.140 5.266 5.058 5.546 . 0 0 "[ . 1]" 1
77 1 13 MET ME 1 16 LEU QD 4.870 . 4.870 2.720 2.032 4.181 . 0 0 "[ . 1]" 1
78 1 13 MET ME 1 16 LEU MD1 5.790 . 5.790 4.375 3.763 4.574 . 0 0 "[ . 1]" 1
79 1 13 MET ME 1 101 PHE QB 5.890 . 5.890 5.699 5.270 6.003 0.113 6 0 "[ . 1]" 1
80 1 13 MET ME 1 68 CYS QB 5.520 . 5.520 4.788 4.214 5.428 . 0 0 "[ . 1]" 1
81 1 13 MET ME 1 16 LEU QB 3.780 . 3.780 3.691 3.079 3.920 0.140 3 0 "[ . 1]" 1
82 1 13 MET ME 1 20 MET ME 7.720 . 7.720 5.562 5.143 6.338 . 0 0 "[ . 1]" 1
83 1 13 MET ME 1 14 MET H 5.820 . 5.820 5.542 4.472 5.981 0.161 5 0 "[ . 1]" 1
84 1 13 MET H 1 14 MET H 3.570 . 3.570 2.457 2.321 2.597 . 0 0 "[ . 1]" 1
85 1 13 MET H 1 64 LEU QD 7.410 . 7.410 6.588 5.524 7.340 . 0 0 "[ . 1]" 1
86 1 13 MET ME 1 17 THR H 5.900 . 5.900 5.850 5.118 6.109 0.209 9 0 "[ . 1]" 1
87 1 13 MET H 1 15 GLU HA 6.990 . 6.990 7.022 6.935 7.108 0.118 2 0 "[ . 1]" 1
88 1 13 MET H 1 101 PHE HZ 5.490 . 5.490 4.668 4.495 4.976 . 0 0 "[ . 1]" 1
89 1 13 MET H 1 15 GLU H 4.310 . 4.310 4.256 4.149 4.427 0.117 2 0 "[ . 1]" 1
90 1 13 MET H 1 101 PHE QE 5.790 . 5.790 5.285 5.108 5.427 . 0 0 "[ . 1]" 1
91 1 13 MET H 1 17 THR HB 7.010 . 7.010 6.945 6.787 7.054 0.044 5 0 "[ . 1]" 1
92 1 13 MET ME 1 68 CYS H 5.890 . 5.890 5.820 5.605 6.059 0.169 5 0 "[ . 1]" 1
93 1 13 MET ME 1 65 GLU H 4.500 . 4.500 4.351 3.988 4.646 0.146 9 0 "[ . 1]" 1
94 1 14 MET QG 1 18 GLY H 5.230 . 5.230 4.537 3.849 5.325 0.095 6 0 "[ . 1]" 1
95 1 14 MET H 1 80 ILE MD 6.590 . 6.590 5.568 4.792 6.522 . 0 0 "[ . 1]" 1
96 1 14 MET QB 1 16 LEU H 5.320 . 5.320 4.653 4.389 4.826 . 0 0 "[ . 1]" 1
97 1 14 MET H 1 80 ILE MG 8.520 . 8.520 6.513 5.596 7.264 . 0 0 "[ . 1]" 1
98 1 14 MET QG 1 17 THR H 5.970 . 5.970 5.230 4.786 5.557 . 0 0 "[ . 1]" 1
99 1 14 MET QB 1 17 THR H 4.990 . 4.990 5.007 4.842 5.117 0.127 3 0 "[ . 1]" 1
100 1 14 MET H 1 15 GLU H 3.100 . 3.100 2.254 2.136 2.421 . 0 0 "[ . 1]" 1
101 1 14 MET H 1 16 LEU QD 6.840 . 6.840 5.434 5.266 5.773 . 0 0 "[ . 1]" 1
102 1 15 GLU HA 1 17 THR H 4.220 . 4.220 4.279 4.005 4.443 0.223 4 0 "[ . 1]" 1
103 1 15 GLU H 1 16 LEU QD 6.340 . 6.340 5.368 5.268 5.439 . 0 0 "[ . 1]" 1
104 1 15 GLU H 1 16 LEU MD1 6.650 . 6.650 6.175 6.085 6.278 . 0 0 "[ . 1]" 1
105 1 15 GLU H 1 16 LEU MD2 6.370 . 6.370 5.902 5.709 6.012 . 0 0 "[ . 1]" 1
106 1 15 GLU HA 1 16 LEU H 3.720 . 3.720 3.514 3.493 3.533 . 0 0 "[ . 1]" 1
107 1 15 GLU H 1 83 PHE QB 6.840 . 6.840 7.065 6.874 7.331 0.491 5 0 "[ . 1]" 1
108 1 15 GLU H 1 83 PHE QD 6.740 . 6.740 6.264 5.889 6.784 0.044 5 0 "[ . 1]" 1
109 1 15 GLU H 1 101 PHE HZ 6.690 . 6.690 6.293 4.896 6.771 0.081 3 0 "[ . 1]" 1
110 1 16 LEU MD1 1 101 PHE QE 5.740 . 5.740 3.622 3.393 4.519 . 0 0 "[ . 1]" 1
111 1 16 LEU QD 1 20 MET ME 3.460 . 3.460 2.138 1.959 2.394 . 0 0 "[ . 1]" 1
112 1 16 LEU MD2 1 17 THR H 4.750 . 4.750 4.158 3.875 4.523 . 0 0 "[ . 1]" 1
113 1 16 LEU MD1 1 20 MET HA 5.290 . 5.290 4.553 4.191 4.721 . 0 0 "[ . 1]" 1
114 1 16 LEU MD2 1 101 PHE QE 6.440 . 6.440 2.715 2.410 3.488 . 0 0 "[ . 1]" 1
115 1 16 LEU MD2 1 101 PHE HZ 7.080 . 7.080 3.457 2.916 4.496 . 0 0 "[ . 1]" 1
116 1 16 LEU MD2 1 99 GLN H 7.900 . 7.900 7.110 5.214 7.743 . 0 0 "[ . 1]" 1
117 1 16 LEU MD2 1 20 MET HA 6.980 . 6.980 6.272 4.647 6.829 . 0 0 "[ . 1]" 1
118 1 16 LEU MD2 1 20 MET ME 4.570 . 4.570 3.093 2.722 3.716 . 0 0 "[ . 1]" 1
119 1 16 LEU MD2 1 101 PHE QB 5.860 . 5.860 3.536 1.967 4.045 . 0 0 "[ . 1]" 1
120 1 16 LEU MD2 1 101 PHE QD 5.770 . 5.770 2.990 2.477 3.283 . 0 0 "[ . 1]" 1
121 1 16 LEU QD 1 56 LEU MD1 5.690 . 5.690 2.730 1.961 3.786 . 0 0 "[ . 1]" 1
122 1 16 LEU MD1 1 101 PHE QD 4.630 . 4.630 3.004 2.743 4.078 . 0 0 "[ . 1]" 1
123 1 16 LEU MD1 1 20 MET ME 3.450 . 3.450 2.205 1.969 2.540 . 0 0 "[ . 1]" 1
124 1 16 LEU MD1 1 64 LEU MD2 6.540 . 6.540 5.403 3.536 6.274 . 0 0 "[ . 1]" 1
125 1 16 LEU HA 1 20 MET ME 5.290 . 5.290 4.447 3.897 5.133 . 0 0 "[ . 1]" 1
126 1 16 LEU MD1 1 87 LEU MD1 6.770 . 6.770 4.886 4.400 5.647 . 0 0 "[ . 1]" 1
127 1 16 LEU QD 1 97 VAL MG2 7.100 . 7.100 4.350 3.951 4.717 . 0 0 "[ . 1]" 1
128 1 16 LEU QD 1 94 VAL MG1 9.570 . 9.570 6.521 5.932 6.858 . 0 0 "[ . 1]" 1
129 1 16 LEU MD1 1 101 PHE QB 3.910 . 3.910 2.701 2.367 3.815 . 0 0 "[ . 1]" 1
130 1 16 LEU QB 1 64 LEU QD 5.820 . 5.820 5.051 3.884 5.744 . 0 0 "[ . 1]" 1
131 1 16 LEU QD 1 64 LEU QD 6.450 . 6.450 3.600 2.187 4.757 . 0 0 "[ . 1]" 1
132 1 16 LEU H 1 87 LEU MD2 8.670 . 8.670 8.206 7.719 8.620 . 0 0 "[ . 1]" 1
133 1 16 LEU QB 1 97 VAL QG 7.120 . 7.120 4.367 4.179 4.618 . 0 0 "[ . 1]" 1
134 1 16 LEU MD1 1 99 GLN H 5.880 . 5.880 5.814 5.685 6.069 0.189 9 0 "[ . 1]" 1
135 1 16 LEU HA 1 20 MET H 4.040 . 4.040 3.912 3.726 4.023 . 0 0 "[ . 1]" 1
136 1 16 LEU H 1 87 LEU MD1 8.440 . 8.440 6.710 6.341 7.448 . 0 0 "[ . 1]" 1
137 1 16 LEU HA 1 17 THR H 3.400 . 3.400 3.494 3.472 3.516 0.116 9 0 "[ . 1]" 1
138 1 16 LEU QB 1 17 THR H 3.370 . 3.370 2.438 2.346 2.527 . 0 0 "[ . 1]" 1
139 1 16 LEU MD1 1 20 MET H 5.340 . 5.340 4.017 3.443 4.234 . 0 0 "[ . 1]" 1
140 1 16 LEU H 1 83 PHE QE 6.260 . 6.260 4.841 4.372 5.423 . 0 0 "[ . 1]" 1
141 1 16 LEU QD 1 17 THR H 4.750 . 4.750 3.692 3.425 3.838 . 0 0 "[ . 1]" 1
142 1 16 LEU QD 1 97 VAL H 7.200 . 7.200 5.809 5.272 6.077 . 0 0 "[ . 1]" 1
143 1 16 LEU QD 1 101 PHE H 6.370 . 6.370 4.357 3.885 4.568 . 0 0 "[ . 1]" 1
144 1 16 LEU MD2 1 100 LEU H 8.570 . 8.570 7.431 5.352 8.072 . 0 0 "[ . 1]" 1
145 1 16 LEU QD 1 19 GLN H 6.820 . 6.820 4.714 4.033 5.024 . 0 0 "[ . 1]" 1
146 1 16 LEU H 1 101 PHE QB 6.740 . 6.740 6.275 6.027 6.671 . 0 0 "[ . 1]" 1
147 1 16 LEU QD 1 99 GLN H 7.010 . 7.010 5.476 4.928 5.718 . 0 0 "[ . 1]" 1
148 1 16 LEU MD1 1 19 GLN H 6.190 . 6.190 4.953 4.607 5.202 . 0 0 "[ . 1]" 1
149 1 16 LEU MD1 1 101 PHE HZ 6.620 . 6.620 4.410 4.115 5.396 . 0 0 "[ . 1]" 1
150 1 17 THR MG 1 22 GLU H 6.060 . 6.060 5.544 5.444 5.727 . 0 0 "[ . 1]" 1
151 1 17 THR HB 1 18 GLY H 3.660 . 3.660 2.458 2.400 2.491 . 0 0 "[ . 1]" 1
152 1 17 THR HB 1 20 MET H 5.250 . 5.250 5.390 5.335 5.459 0.209 4 0 "[ . 1]" 1
153 1 17 THR MG 1 20 MET H 5.780 . 5.780 4.647 4.552 4.743 . 0 0 "[ . 1]" 1
154 1 17 THR HA 1 19 GLN H 4.180 . 4.180 4.257 4.201 4.291 0.111 2 0 "[ . 1]" 1
155 1 17 THR MG 1 18 GLY H 4.510 . 4.510 3.245 3.101 3.333 . 0 0 "[ . 1]" 1
156 1 17 THR MG 1 21 ARG H 4.220 . 4.220 3.986 3.833 4.090 . 0 0 "[ . 1]" 1
157 1 18 GLY QA 1 19 GLN H 3.430 . 3.430 2.762 2.735 2.785 . 0 0 "[ . 1]" 1
158 1 18 GLY H 1 20 MET H 3.960 . 3.960 4.074 4.042 4.130 0.170 4 0 "[ . 1]" 1
159 1 18 GLY H 1 19 GLN HA 5.040 . 5.040 5.237 5.179 5.266 0.226 9 0 "[ . 1]" 1
160 1 18 GLY H 1 19 GLN QG 5.750 . 5.750 4.721 4.314 5.889 0.139 8 0 "[ . 1]" 1
161 1 19 GLN QE 1 84 ARG HE 4.650 . 4.650 3.114 2.469 4.413 . 0 0 "[ . 1]" 1
162 1 19 GLN QE 1 86 LEU QD 9.150 . 9.150 7.167 6.523 7.864 . 0 0 "[ . 1]" 1
163 1 19 GLN QE 1 83 PHE QB 4.700 . 4.700 4.486 3.382 4.837 0.137 9 0 "[ . 1]" 1
164 1 19 GLN QE 1 20 MET ME 9.570 . 9.570 8.006 7.497 8.597 . 0 0 "[ . 1]" 1
165 1 19 GLN QE 1 84 ARG QG 5.240 . 5.240 2.499 1.806 3.622 . 0 0 "[ . 1]" 1
166 1 19 GLN QE 1 97 VAL QG 5.670 . 5.670 4.724 4.481 4.960 . 0 0 "[ . 1]" 1
167 1 19 GLN QG 1 87 LEU MD2 4.510 . 4.510 3.025 2.280 3.912 . 0 0 "[ . 1]" 1
168 1 19 GLN HA 1 87 LEU MD1 5.790 . 5.790 4.134 3.744 4.999 . 0 0 "[ . 1]" 1
169 1 19 GLN QB 1 87 LEU MD1 3.310 . 3.310 2.185 1.986 2.890 . 0 0 "[ . 1]" 1
170 1 19 GLN H 1 20 MET H 3.180 . 3.180 2.336 2.259 2.401 . 0 0 "[ . 1]" 1
171 1 19 GLN H 1 83 PHE HZ 6.930 . 6.930 6.893 6.522 7.122 0.192 5 0 "[ . 1]" 1
172 1 19 GLN H 1 87 LEU MD1 5.840 . 5.840 5.082 4.845 5.893 0.053 1 0 "[ . 1]" 1
173 1 19 GLN QB 1 20 MET H 3.750 . 3.750 2.840 2.789 2.931 . 0 0 "[ . 1]" 1
174 1 19 GLN HA 1 20 MET H 3.570 . 3.570 3.491 3.472 3.511 . 0 0 "[ . 1]" 1
175 1 19 GLN HA 1 23 ALA H 3.360 . 3.360 3.418 3.330 3.500 0.140 6 0 "[ . 1]" 1
176 1 19 GLN QE 1 87 LEU MD1 4.580 . 4.580 3.380 2.782 4.187 . 0 0 "[ . 1]" 1
177 1 19 GLN H 1 97 VAL MG2 6.130 . 6.130 5.540 5.075 5.924 . 0 0 "[ . 1]" 1
178 1 19 GLN QE 1 84 ARG HA 4.110 . 4.110 2.586 1.724 3.933 . 0 0 "[ . 1]" 1
179 1 20 MET ME 1 98 SER H 4.470 . 4.470 4.137 3.120 4.477 0.007 8 0 "[ . 1]" 1
180 1 20 MET HA 1 23 ALA MB 4.160 . 4.160 2.679 2.426 3.024 . 0 0 "[ . 1]" 1
181 1 20 MET ME 1 54 TYR QD 5.980 . 5.980 3.093 2.189 4.082 . 0 0 "[ . 1]" 1
182 1 20 MET ME 1 101 PHE QE 8.500 . 8.500 5.803 5.600 6.374 . 0 0 "[ . 1]" 1
183 1 20 MET ME 1 56 LEU QD 5.230 . 5.230 3.036 1.842 4.091 . 0 0 "[ . 1]" 1
184 1 20 MET ME 1 94 VAL MG2 6.050 . 6.050 3.298 2.537 3.526 . 0 0 "[ . 1]" 1
185 1 20 MET ME 1 56 LEU H 6.820 . 6.820 4.210 3.410 4.871 . 0 0 "[ . 1]" 1
186 1 20 MET ME 1 22 GLU H 7.960 . 7.960 7.137 6.822 7.244 . 0 0 "[ . 1]" 1
187 1 20 MET ME 1 55 ASP HA 7.520 . 7.520 4.628 3.670 5.451 . 0 0 "[ . 1]" 1
188 1 20 MET ME 1 56 LEU HA 6.290 . 6.290 4.526 3.370 5.424 . 0 0 "[ . 1]" 1
189 1 20 MET ME 1 101 PHE QB 5.970 . 5.970 4.706 3.893 5.189 . 0 0 "[ . 1]" 1
190 1 20 MET QG 1 94 VAL MG1 5.370 . 5.370 4.481 4.069 5.341 . 0 0 "[ . 1]" 1
191 1 20 MET HA 1 94 VAL MG2 3.470 . 3.470 2.684 2.216 3.061 . 0 0 "[ . 1]" 1
192 1 20 MET HA 1 54 TYR QB 5.810 . 5.810 5.579 5.137 5.916 0.106 10 0 "[ . 1]" 1
193 1 20 MET ME 1 56 LEU MD1 4.930 . 4.930 3.567 2.574 4.518 . 0 0 "[ . 1]" 1
194 1 20 MET QG 1 97 VAL QG 6.170 . 6.170 3.725 3.397 4.533 . 0 0 "[ . 1]" 1
195 1 20 MET ME 1 101 PHE QD 7.080 . 7.080 5.171 4.731 5.677 . 0 0 "[ . 1]" 1
196 1 20 MET ME 1 23 ALA MB 7.970 . 7.970 5.178 4.620 5.638 . 0 0 "[ . 1]" 1
197 1 20 MET H 1 21 ARG H 3.130 . 3.130 2.530 2.481 2.569 . 0 0 "[ . 1]" 1
198 1 20 MET H 1 24 GLU H 5.860 . 5.860 5.938 5.775 6.068 0.208 10 0 "[ . 1]" 1
199 1 20 MET H 1 87 LEU MD1 6.190 . 6.190 5.057 4.735 5.729 . 0 0 "[ . 1]" 1
200 1 20 MET H 1 83 PHE HZ 6.820 . 6.820 6.523 6.142 6.888 0.068 7 0 "[ . 1]" 1
201 1 20 MET QG 1 23 ALA H 5.990 . 5.990 5.166 5.002 5.542 . 0 0 "[ . 1]" 1
202 1 20 MET HA 1 23 ALA H 3.660 . 3.660 3.593 3.449 3.737 0.077 7 0 "[ . 1]" 1
203 1 20 MET QG 1 54 TYR H 7.340 . 7.340 5.792 3.880 7.045 . 0 0 "[ . 1]" 1
204 1 20 MET HA 1 21 ARG H 3.270 . 3.270 3.439 3.400 3.474 0.204 9 0 "[ . 1]" 1
205 1 20 MET QB 1 21 ARG H 3.130 . 3.130 2.442 2.312 2.575 . 0 0 "[ . 1]" 1
206 1 21 ARG H 1 22 GLU QB 5.530 . 5.530 4.345 4.116 4.748 . 0 0 "[ . 1]" 1
207 1 21 ARG QD 1 22 GLU H 4.810 . 4.810 4.544 3.875 4.978 0.168 7 0 "[ . 1]" 1
208 1 22 GLU H 1 23 ALA H 2.820 . 2.820 2.872 2.828 2.938 0.118 9 0 "[ . 1]" 1
209 1 22 GLU H 1 87 LEU MD1 8.560 . 8.560 6.426 6.041 7.316 . 0 0 "[ . 1]" 1
210 1 22 GLU QB 1 23 ALA H 3.420 . 3.420 2.469 2.309 2.749 . 0 0 "[ . 1]" 1
211 1 22 GLU HA 1 23 ALA H 3.490 . 3.490 3.539 3.530 3.561 0.071 5 0 "[ . 1]" 1
212 1 22 GLU H 1 26 GLN HA 9.110 . 9.110 8.556 8.356 8.766 . 0 0 "[ . 1]" 1
213 1 22 GLU HA 1 24 GLU H 5.270 . 5.270 4.356 4.211 4.452 . 0 0 "[ . 1]" 1
214 1 23 ALA MB 1 24 GLU H 3.540 . 3.540 2.584 2.499 2.697 . 0 0 "[ . 1]" 1
215 1 23 ALA MB 1 94 VAL HA 3.950 . 3.950 2.432 2.293 2.560 . 0 0 "[ . 1]" 1
216 1 23 ALA MB 1 94 VAL MG2 4.890 . 4.890 2.803 2.668 3.092 . 0 0 "[ . 1]" 1
217 1 23 ALA MB 1 87 LEU MD1 7.090 . 7.090 3.462 3.227 3.630 . 0 0 "[ . 1]" 1
218 1 23 ALA MB 1 97 VAL H 5.610 . 5.610 4.296 4.018 4.541 . 0 0 "[ . 1]" 1
219 1 23 ALA MB 1 97 VAL QG 5.410 . 5.410 2.001 1.855 2.179 . 0 0 "[ . 1]" 1
220 1 23 ALA MB 1 94 VAL MG1 4.890 . 4.890 3.724 3.427 3.985 . 0 0 "[ . 1]" 1
221 1 23 ALA MB 1 87 LEU MD2 9.690 . 9.690 4.057 3.579 4.478 . 0 0 "[ . 1]" 1
222 1 23 ALA MB 1 95 GLN H 5.520 . 5.520 4.497 4.266 4.683 . 0 0 "[ . 1]" 1
223 1 23 ALA MB 1 94 VAL H 3.210 . 3.210 2.341 1.999 2.697 . 0 0 "[ . 1]" 1
224 1 23 ALA H 1 97 VAL QG 5.370 . 5.370 3.760 3.542 3.992 . 0 0 "[ . 1]" 1
225 1 26 GLN H 1 27 GLN H 3.020 . 3.020 2.695 2.561 2.764 . 0 0 "[ . 1]" 1
226 1 27 GLN H 1 28 ARG H 2.710 . 2.710 2.607 2.477 2.688 . 0 0 "[ . 1]" 1
227 1 28 ARG H 1 29 GLU H 3.100 . 3.100 2.608 2.494 2.874 . 0 0 "[ . 1]" 1
228 1 29 GLU HA 1 32 ASN QD 3.600 . 3.600 2.662 2.189 3.418 . 0 0 "[ . 1]" 1
229 1 29 GLU H 1 30 ARG H 2.930 . 2.930 2.607 2.459 2.711 . 0 0 "[ . 1]" 1
230 1 30 ARG QD 1 31 SER H 5.360 . 5.360 4.651 4.157 5.409 0.049 9 0 "[ . 1]" 1
231 1 30 ARG QB 1 31 SER H 3.530 . 3.530 2.476 2.267 2.772 . 0 0 "[ . 1]" 1
232 1 30 ARG QG 1 31 SER H 4.300 . 4.300 3.765 3.441 4.148 . 0 0 "[ . 1]" 1
233 1 30 ARG H 1 32 ASN QB 6.910 . 6.910 4.994 4.710 6.217 . 0 0 "[ . 1]" 1
234 1 31 SER HA 1 32 ASN H 4.110 . 4.110 3.490 3.381 3.560 . 0 0 "[ . 1]" 1
235 1 31 SER H 1 32 ASN QB 5.700 . 5.700 4.429 4.082 4.994 . 0 0 "[ . 1]" 1
236 1 31 SER H 1 32 ASN QD 4.780 . 4.780 4.636 3.501 5.040 0.260 5 0 "[ . 1]" 1
237 1 31 SER HA 1 34 VAL MG2 4.840 . 4.840 3.580 2.289 4.883 0.043 9 0 "[ . 1]" 1
238 1 32 ASN QB 1 33 ALA MB 5.970 . 5.970 4.279 3.786 4.720 . 0 0 "[ . 1]" 1
239 1 32 ASN HA 1 33 ALA H 3.350 . 3.350 3.433 3.334 3.498 0.148 7 0 "[ . 1]" 1
240 1 32 ASN QB 1 33 ALA H 3.610 . 3.610 3.063 2.500 3.693 0.083 9 0 "[ . 1]" 1
241 1 32 ASN H 1 33 ALA H 4.260 . 4.260 2.500 2.356 2.716 . 0 0 "[ . 1]" 1
242 1 32 ASN QB 1 34 VAL H 5.460 . 5.460 5.066 4.619 5.492 0.032 9 0 "[ . 1]" 1
243 1 32 ASN QB 1 35 ARG H 4.960 . 4.960 4.831 4.586 5.146 0.186 6 0 "[ . 1]" 1
244 1 32 ASN QD 1 34 VAL QG 6.700 . 6.700 5.605 5.191 6.359 . 0 0 "[ . 1]" 1
245 1 33 ALA H 1 34 VAL QG 5.000 . 5.000 3.763 3.477 4.101 . 0 0 "[ . 1]" 1
246 1 33 ALA MB 1 34 VAL MG2 5.210 . 5.210 3.828 2.790 4.844 . 0 0 "[ . 1]" 1
247 1 33 ALA HA 1 34 VAL H 3.230 . 3.230 3.485 3.452 3.509 0.279 3 0 "[ . 1]" 1
248 1 33 ALA MB 1 34 VAL H 3.730 . 3.730 2.469 2.355 2.597 . 0 0 "[ . 1]" 1
249 1 33 ALA H 1 34 VAL H 3.210 . 3.210 2.586 2.278 2.854 . 0 0 "[ . 1]" 1
250 1 33 ALA HA 1 35 ARG H 4.350 . 4.350 3.899 3.638 4.047 . 0 0 "[ . 1]" 1
251 1 34 VAL QG 1 35 ARG H 3.960 . 3.960 2.968 2.434 3.639 . 0 0 "[ . 1]" 1
252 1 34 VAL MG2 1 35 ARG H 5.010 . 5.010 3.688 2.626 4.241 . 0 0 "[ . 1]" 1
253 1 34 VAL HA 1 35 ARG H 3.230 . 3.230 3.284 2.863 3.399 0.169 6 0 "[ . 1]" 1
254 1 34 VAL HB 1 35 ARG H 4.100 . 4.100 3.872 3.027 4.348 0.248 3 0 "[ . 1]" 1
255 1 41 VAL MG2 1 43 TYR QE 6.900 . 6.900 5.621 4.127 6.978 0.078 7 0 "[ . 1]" 1
256 1 41 VAL HA 1 42 ASP H 3.240 . 3.240 2.442 2.123 3.512 0.272 9 0 "[ . 1]" 1
257 1 41 VAL H 1 42 ASP H 4.320 . 4.320 3.853 1.954 4.506 0.186 2 0 "[ . 1]" 1
258 1 41 VAL MG1 1 45 TRP HE1 8.450 . 8.450 6.669 3.792 8.515 0.065 3 0 "[ . 1]" 1
259 1 41 VAL MG1 1 42 ASP H 4.650 . 4.650 3.355 2.478 4.152 . 0 0 "[ . 1]" 1
260 1 41 VAL MG1 1 43 TYR QD 6.440 . 6.440 4.602 2.718 5.701 . 0 0 "[ . 1]" 1
261 1 41 VAL MG1 1 43 TYR QE 6.730 . 6.730 5.087 3.218 6.776 0.046 2 0 "[ . 1]" 1
262 1 41 VAL MG2 1 42 ASP H 4.390 . 4.390 3.431 2.132 4.233 . 0 0 "[ . 1]" 1
263 1 41 VAL MG2 1 43 TYR QD 7.080 . 7.080 5.359 3.902 6.021 . 0 0 "[ . 1]" 1
264 1 42 ASP HA 1 43 TYR H 3.300 . 3.300 2.580 2.070 3.487 0.187 6 0 "[ . 1]" 1
265 1 42 ASP HA 1 47 ALA H 7.270 . 7.270 6.328 5.094 7.374 0.104 5 0 "[ . 1]" 1
266 1 43 TYR QD 1 46 LEU MD1 6.860 . 6.860 4.469 2.921 6.957 0.097 10 0 "[ . 1]" 1
267 1 43 TYR HA 1 44 SER H 3.990 . 3.990 2.763 2.232 3.559 . 0 0 "[ . 1]" 1
268 1 43 TYR H 1 46 LEU QB 5.230 . 5.230 3.758 2.146 5.307 0.077 3 0 "[ . 1]" 1
269 1 43 TYR HA 1 45 TRP HE1 5.970 . 5.970 5.251 3.479 6.090 0.120 6 0 "[ . 1]" 1
270 1 43 TYR QE 1 45 TRP HE1 6.070 . 6.070 5.181 3.567 6.411 0.341 5 0 "[ . 1]" 1
271 1 43 TYR QD 1 45 TRP HE1 4.570 . 4.570 3.608 1.850 4.663 0.093 5 0 "[ . 1]" 1
272 1 43 TYR QB 1 45 TRP HE1 4.570 . 4.570 3.365 2.391 4.723 0.153 10 0 "[ . 1]" 1
273 1 44 SER QB 1 45 TRP H 3.940 . 3.940 3.141 2.216 4.013 0.073 1 0 "[ . 1]" 1
274 1 44 SER HA 1 45 TRP H 3.240 . 3.240 3.349 3.151 3.529 0.289 10 0 "[ . 1]" 1
275 1 45 TRP H 1 46 LEU QB 4.660 . 4.660 4.209 3.707 4.773 0.113 10 0 "[ . 1]" 1
276 1 45 TRP HE1 1 46 LEU QB 6.520 . 6.520 4.361 3.589 5.557 . 0 0 "[ . 1]" 1
277 1 45 TRP HE1 1 46 LEU MD2 6.880 . 6.880 5.011 3.252 5.996 . 0 0 "[ . 1]" 1
278 1 45 TRP QB 1 46 LEU H 4.160 . 4.160 3.724 3.382 3.912 . 0 0 "[ . 1]" 1
279 1 45 TRP HA 1 46 LEU H 3.230 . 3.230 3.329 3.175 3.420 0.190 1 0 "[ . 1]" 1
280 1 45 TRP H 1 46 LEU H 3.240 . 3.240 2.229 1.866 2.543 . 0 0 "[ . 1]" 1
281 1 46 LEU HA 1 47 ALA H 3.310 . 3.310 2.963 2.105 3.533 0.223 3 0 "[ . 1]" 1
282 1 46 LEU H 1 48 SER QB 5.670 . 5.670 4.898 3.840 5.806 0.136 6 0 "[ . 1]" 1
283 1 47 ALA H 1 48 SER QB 4.650 . 4.650 4.394 3.561 4.909 0.259 4 0 "[ . 1]" 1
284 1 47 ALA MB 1 48 SER H 4.110 . 4.110 3.377 2.611 3.670 . 0 0 "[ . 1]" 1
285 1 48 SER QB 1 49 THR H 3.800 . 3.800 3.018 2.070 3.742 . 0 0 "[ . 1]" 1
286 1 48 SER HA 1 49 THR H 3.270 . 3.270 2.613 2.126 3.310 0.040 4 0 "[ . 1]" 1
287 1 49 THR MG 1 52 SER H 7.120 . 7.120 5.338 2.937 7.058 . 0 0 "[ . 1]" 1
288 1 50 PRO HA 1 51 ASP H 3.220 . 3.220 3.004 2.127 3.509 0.289 4 0 "[ . 1]" 1
289 1 51 ASP HA 1 52 SER H 3.260 . 3.260 3.063 2.145 3.508 0.248 5 0 "[ . 1]" 1
290 1 51 ASP H 1 52 SER H 4.170 . 4.170 3.001 2.245 4.247 0.077 9 0 "[ . 1]" 1
291 1 52 SER QB 1 54 TYR H 6.170 . 6.170 5.493 4.883 6.145 . 0 0 "[ . 1]" 1
292 1 52 SER QB 1 53 THR H 3.430 . 3.430 3.334 2.839 3.574 0.144 1 0 "[ . 1]" 1
293 1 52 SER H 1 53 THR H 4.290 . 4.290 4.359 4.136 4.514 0.224 6 0 "[ . 1]" 1
294 1 52 SER HA 1 53 THR H 2.410 . 2.410 2.169 2.110 2.262 . 0 0 "[ . 1]" 1
295 1 53 THR HA 1 54 TYR H 2.560 . 2.560 2.266 2.083 2.522 . 0 0 "[ . 1]" 1
296 1 53 THR HB 1 54 TYR H 4.000 . 4.000 3.653 2.924 4.182 0.182 8 0 "[ . 1]" 1
297 1 53 THR MG 1 54 TYR H 3.650 . 3.650 3.102 1.685 3.750 0.100 2 0 "[ . 1]" 1
298 1 53 THR H 1 54 TYR H 4.190 . 4.190 4.343 4.226 4.458 0.268 3 0 "[ . 1]" 1
299 1 54 TYR HA 1 55 ASP H 2.340 . 2.340 2.154 2.013 2.293 . 0 0 "[ . 1]" 1
300 1 54 TYR QB 1 55 ASP H 3.660 . 3.660 3.293 2.881 3.565 . 0 0 "[ . 1]" 1
301 1 54 TYR H 1 55 ASP H 4.300 . 4.300 4.414 4.187 4.552 0.252 6 0 "[ . 1]" 1
302 1 54 TYR QD 1 55 ASP H 4.290 . 4.290 3.937 3.017 4.583 0.293 9 0 "[ . 1]" 1
303 1 54 TYR QE 1 55 ASP H 6.260 . 6.260 5.583 3.898 6.433 0.173 9 0 "[ . 1]" 1
304 1 54 TYR QD 1 94 VAL H 7.400 . 7.400 6.521 6.002 7.418 0.018 8 0 "[ . 1]" 1
305 1 54 TYR H 1 56 LEU MD1 8.710 . 8.710 8.661 8.006 8.788 0.078 6 0 "[ . 1]" 1
306 1 54 TYR QD 1 56 LEU H 6.030 . 6.030 4.709 4.080 5.658 . 0 0 "[ . 1]" 1
307 1 54 TYR QB 1 94 VAL MG1 5.750 . 5.750 2.886 2.413 3.901 . 0 0 "[ . 1]" 1
308 1 54 TYR QD 1 94 VAL MG1 5.080 . 5.080 3.060 2.315 4.077 . 0 0 "[ . 1]" 1
309 1 54 TYR QE 1 94 VAL MG1 5.480 . 5.480 3.903 2.826 5.574 0.094 8 0 "[ . 1]" 1
310 1 54 TYR QE 1 95 GLN HA 8.080 . 8.080 6.291 4.335 8.249 0.169 10 0 "[ . 1]" 1
311 1 54 TYR QB 1 94 VAL MG2 4.990 . 4.990 2.281 1.905 2.730 . 0 0 "[ . 1]" 1
312 1 55 ASP H 1 56 LEU MD1 5.750 . 5.750 5.514 5.225 5.850 0.100 4 0 "[ . 1]" 1
313 1 55 ASP H 1 56 LEU QB 6.350 . 6.350 5.162 4.718 5.583 . 0 0 "[ . 1]" 1
314 1 55 ASP HA 1 56 LEU MD1 5.470 . 5.470 5.473 5.279 5.571 0.101 5 0 "[ . 1]" 1
315 1 55 ASP QB 1 56 LEU MD1 6.850 . 6.850 5.834 5.566 6.052 . 0 0 "[ . 1]" 1
316 1 55 ASP HA 1 56 LEU H 2.500 . 2.500 2.152 2.086 2.414 . 0 0 "[ . 1]" 1
317 1 55 ASP QB 1 56 LEU H 4.000 . 4.000 3.478 2.431 3.871 . 0 0 "[ . 1]" 1
318 1 56 LEU MD2 1 57 SER H 5.500 . 5.500 4.917 4.036 5.382 . 0 0 "[ . 1]" 1
319 1 56 LEU MD2 1 101 PHE QE 4.750 . 4.750 4.613 3.599 4.829 0.079 2 0 "[ . 1]" 1
320 1 56 LEU MD2 1 101 PHE QD 8.620 . 8.620 5.267 4.118 5.760 . 0 0 "[ . 1]" 1
321 1 56 LEU MD1 1 101 PHE QD 4.750 . 4.750 4.324 3.987 4.550 . 0 0 "[ . 1]" 1
322 1 56 LEU HG 1 57 SER H 5.510 . 5.510 3.945 3.208 5.691 0.181 1 0 "[ . 1]" 1
323 1 56 LEU QB 1 57 SER H 3.830 . 3.830 3.898 3.765 3.980 0.150 2 0 "[ . 1]" 1
324 1 56 LEU QD 1 57 SER H 5.190 . 5.190 3.154 2.790 3.530 . 0 0 "[ . 1]" 1
325 1 56 LEU HA 1 57 SER H 3.070 . 3.070 2.176 2.101 2.305 . 0 0 "[ . 1]" 1
326 1 56 LEU HA 1 60 GLU H 6.690 . 6.690 5.474 4.922 6.009 . 0 0 "[ . 1]" 1
327 1 56 LEU QB 1 61 ARG H 5.380 . 5.380 5.100 4.571 5.455 0.075 7 0 "[ . 1]" 1
328 1 56 LEU QD 1 61 ARG H 5.510 . 5.510 3.324 3.142 3.550 . 0 0 "[ . 1]" 1
329 1 56 LEU MD1 1 57 SER H 5.340 . 5.340 3.206 2.813 3.580 . 0 0 "[ . 1]" 1
330 1 57 SER H 1 60 GLU H 3.980 . 3.980 3.988 3.750 4.169 0.189 8 0 "[ . 1]" 1
331 1 57 SER H 1 58 PRO QB 6.800 . 6.800 6.453 6.323 6.597 . 0 0 "[ . 1]" 1
332 1 58 PRO HA 1 59 ILE H 3.390 . 3.390 3.539 3.488 3.580 0.190 3 0 "[ . 1]" 1
333 1 58 PRO HA 1 61 ARG H 4.250 . 4.250 3.667 3.580 3.797 . 0 0 "[ . 1]" 1
334 1 59 ILE HB 1 60 GLU H 3.690 . 3.690 3.778 3.638 3.918 0.228 10 0 "[ . 1]" 1
335 1 59 ILE MD 1 63 GLN QE 3.620 . 3.620 2.839 2.179 3.673 0.053 2 0 "[ . 1]" 1
336 1 59 ILE QG 1 63 GLN QE 4.000 . 4.000 2.606 1.718 4.015 0.015 2 0 "[ . 1]" 1
337 1 59 ILE MG 1 63 GLN QE 5.290 . 5.290 3.711 2.683 4.351 . 0 0 "[ . 1]" 1
338 1 59 ILE MG 1 60 GLU QB 5.460 . 5.460 4.276 2.750 5.589 0.129 1 0 "[ . 1]" 1
339 1 59 ILE H 1 61 ARG H 4.290 . 4.290 3.914 3.778 4.033 . 0 0 "[ . 1]" 1
340 1 59 ILE H 1 60 GLU QB 5.360 . 5.360 4.352 3.997 4.617 . 0 0 "[ . 1]" 1
341 1 60 GLU HA 1 61 ARG H 3.420 . 3.420 3.504 3.477 3.522 0.102 3 0 "[ . 1]" 1
342 1 60 GLU H 1 63 GLN H 4.600 . 4.600 4.675 4.628 4.726 0.126 3 0 "[ . 1]" 1
343 1 60 GLU H 1 61 ARG H 3.110 . 3.110 2.643 2.555 2.712 . 0 0 "[ . 1]" 1
344 1 61 ARG HA 1 62 LEU H 3.380 . 3.380 3.502 3.490 3.537 0.157 6 0 "[ . 1]" 1
345 1 61 ARG H 1 63 GLN H 4.340 . 4.340 4.171 4.028 4.314 . 0 0 "[ . 1]" 1
346 1 61 ARG QG 1 63 GLN H 5.970 . 5.970 5.170 4.919 5.721 . 0 0 "[ . 1]" 1
347 1 61 ARG QD 1 65 GLU H 3.930 . 3.930 3.855 3.508 4.020 0.090 7 0 "[ . 1]" 1
348 1 61 ARG QG 1 65 GLU H 5.450 . 5.450 4.514 4.346 4.750 . 0 0 "[ . 1]" 1
349 1 61 ARG QG 1 66 ASP H 6.980 . 6.980 6.245 5.782 7.018 0.038 6 0 "[ . 1]" 1
350 1 61 ARG QG 1 64 LEU H 6.120 . 6.120 5.409 5.215 5.543 . 0 0 "[ . 1]" 1
351 1 61 ARG H 1 62 LEU H 2.980 . 2.980 2.813 2.663 2.906 . 0 0 "[ . 1]" 1
352 1 61 ARG QG 1 62 LEU H 4.050 . 4.050 3.058 2.636 4.070 0.020 6 0 "[ . 1]" 1
353 1 62 LEU H 1 64 LEU QB 5.800 . 5.800 5.044 4.862 5.257 . 0 0 "[ . 1]" 1
354 1 62 LEU MD2 1 63 GLN H 4.520 . 4.520 4.058 3.836 4.214 . 0 0 "[ . 1]" 1
355 1 62 LEU HG 1 63 GLN H 4.140 . 4.140 3.674 3.511 3.878 . 0 0 "[ . 1]" 1
356 1 63 GLN QB 1 64 LEU H 3.170 . 3.170 2.410 2.234 2.527 . 0 0 "[ . 1]" 1
357 1 63 GLN H 1 65 GLU H 4.070 . 4.070 3.955 3.851 4.077 0.007 1 0 "[ . 1]" 1
358 1 63 GLN QB 1 66 ASP H 5.350 . 5.350 4.937 4.861 5.060 . 0 0 "[ . 1]" 1
359 1 63 GLN H 1 64 LEU H 3.000 . 3.000 2.683 2.577 2.777 . 0 0 "[ . 1]" 1
360 1 64 LEU H 1 65 GLU HA 5.000 . 5.000 5.184 5.154 5.203 0.203 8 0 "[ . 1]" 1
361 1 64 LEU QD 1 101 PHE QD 4.180 . 4.180 2.872 2.282 3.311 . 0 0 "[ . 1]" 1
362 1 64 LEU QD 1 101 PHE QE 5.380 . 5.380 2.378 1.874 2.845 . 0 0 "[ . 1]" 1
363 1 64 LEU HA 1 105 LEU MD2 8.010 . 8.010 5.726 5.378 6.100 . 0 0 "[ . 1]" 1
364 1 64 LEU QD 1 68 CYS H 5.280 . 5.280 4.652 3.528 5.166 . 0 0 "[ . 1]" 1
365 1 64 LEU QD 1 67 VAL H 5.270 . 5.270 4.398 4.002 4.801 . 0 0 "[ . 1]" 1
366 1 64 LEU QD 1 68 CYS QB 5.780 . 5.780 4.955 3.905 5.408 . 0 0 "[ . 1]" 1
367 1 64 LEU QD 1 101 PHE HA 5.760 . 5.760 5.148 4.663 5.765 0.005 7 0 "[ . 1]" 1
368 1 64 LEU QD 1 105 LEU MD1 5.130 . 5.130 2.907 2.070 3.946 . 0 0 "[ . 1]" 1
369 1 64 LEU HA 1 105 LEU MD1 5.620 . 5.620 4.076 3.631 4.565 . 0 0 "[ . 1]" 1
370 1 64 LEU H 1 65 GLU H 3.190 . 3.190 2.621 2.569 2.655 . 0 0 "[ . 1]" 1
371 1 64 LEU QD 1 65 GLU H 5.350 . 5.350 3.992 3.878 4.185 . 0 0 "[ . 1]" 1
372 1 65 GLU H 1 66 ASP H 2.980 . 2.980 2.596 2.520 2.661 . 0 0 "[ . 1]" 1
373 1 65 GLU QB 1 69 VAL H 5.370 . 5.370 5.110 4.560 5.320 . 0 0 "[ . 1]" 1
374 1 65 GLU HA 1 69 VAL MG2 6.820 . 6.820 3.955 3.454 4.916 . 0 0 "[ . 1]" 1
375 1 66 ASP HA 1 69 VAL MG1 4.330 . 4.330 3.920 3.338 4.329 . 0 0 "[ . 1]" 1
376 1 66 ASP H 1 67 VAL H 2.940 . 2.940 2.650 2.611 2.687 . 0 0 "[ . 1]" 1
377 1 66 ASP HA 1 69 VAL H 3.890 . 3.890 3.581 3.350 3.768 . 0 0 "[ . 1]" 1
378 1 66 ASP QB 1 67 VAL H 2.940 . 2.940 2.556 2.415 2.635 . 0 0 "[ . 1]" 1
379 1 66 ASP HA 1 67 VAL H 3.330 . 3.330 3.486 3.476 3.492 0.162 8 0 "[ . 1]" 1
380 1 66 ASP H 1 68 CYS H 4.350 . 4.350 4.130 3.970 4.224 . 0 0 "[ . 1]" 1
381 1 66 ASP H 1 67 VAL HB 6.040 . 6.040 5.033 4.706 6.236 0.196 8 0 "[ . 1]" 1
382 1 66 ASP H 1 67 VAL MG2 6.920 . 6.920 4.047 3.747 4.122 . 0 0 "[ . 1]" 1
383 1 66 ASP HA 1 69 VAL MG2 4.950 . 4.950 2.840 2.039 3.614 . 0 0 "[ . 1]" 1
384 1 66 ASP QB 1 67 VAL HA 4.500 . 4.500 4.165 4.078 4.230 . 0 0 "[ . 1]" 1
385 1 67 VAL H 1 68 CYS H 2.900 . 2.900 2.678 2.586 2.737 . 0 0 "[ . 1]" 1
386 1 67 VAL MG2 1 106 GLN H 6.760 . 6.760 5.389 4.878 5.899 . 0 0 "[ . 1]" 1
387 1 67 VAL H 1 71 ILE MD 7.250 . 7.250 5.991 5.683 6.905 . 0 0 "[ . 1]" 1
388 1 67 VAL H 1 105 LEU MD1 5.720 . 5.720 5.050 4.649 5.607 . 0 0 "[ . 1]" 1
389 1 67 VAL H 1 102 ARG QG 8.660 . 8.660 8.400 7.855 8.760 0.100 4 0 "[ . 1]" 1
390 1 67 VAL H 1 68 CYS QB 5.670 . 5.670 4.646 4.428 4.824 . 0 0 "[ . 1]" 1
391 1 67 VAL MG1 1 106 GLN H 6.490 . 6.490 4.811 4.389 5.623 . 0 0 "[ . 1]" 1
392 1 67 VAL MG2 1 105 LEU MD1 5.240 . 5.240 3.421 1.977 3.854 . 0 0 "[ . 1]" 1
393 1 67 VAL MG2 1 68 CYS H 4.680 . 4.680 3.699 2.223 3.953 . 0 0 "[ . 1]" 1
394 1 67 VAL HB 1 105 LEU MD1 4.860 . 4.860 2.832 2.358 3.512 . 0 0 "[ . 1]" 1
395 1 67 VAL MG1 1 106 GLN QB 8.560 . 8.560 5.272 4.801 5.792 . 0 0 "[ . 1]" 1
396 1 67 VAL MG1 1 105 LEU QB 4.160 . 4.160 2.626 2.167 3.680 . 0 0 "[ . 1]" 1
397 1 67 VAL MG2 1 109 LEU HA 7.550 . 7.550 5.142 4.569 6.231 . 0 0 "[ . 1]" 1
398 1 67 VAL MG2 1 71 ILE MD 7.200 . 7.200 4.790 3.471 5.717 . 0 0 "[ . 1]" 1
399 1 67 VAL MG2 1 71 ILE MG 9.010 . 9.010 6.675 5.831 6.987 . 0 0 "[ . 1]" 1
400 1 67 VAL MG1 1 68 CYS QB 6.780 . 6.780 4.603 3.961 5.624 . 0 0 "[ . 1]" 1
401 1 67 VAL MG2 1 105 LEU QB 5.700 . 5.700 3.329 2.741 3.809 . 0 0 "[ . 1]" 1
402 1 67 VAL MG2 1 112 MET ME 9.330 . 9.330 6.381 4.804 7.399 . 0 0 "[ . 1]" 1
403 1 68 CYS H 1 105 LEU QD 5.080 . 5.080 4.069 3.557 4.602 . 0 0 "[ . 1]" 1
404 1 68 CYS H 1 71 ILE MD 5.060 . 5.060 4.338 4.005 5.188 0.128 4 0 "[ . 1]" 1
405 1 68 CYS QB 1 71 ILE H 5.000 . 5.000 4.628 4.398 4.889 . 0 0 "[ . 1]" 1
406 1 68 CYS QB 1 105 LEU MD2 6.560 . 6.560 5.675 4.623 6.337 . 0 0 "[ . 1]" 1
407 1 68 CYS QB 1 105 LEU MD1 5.040 . 5.040 4.127 2.915 4.768 . 0 0 "[ . 1]" 1
408 1 68 CYS H 1 69 VAL H 3.270 . 3.270 2.549 2.452 2.760 . 0 0 "[ . 1]" 1
409 1 68 CYS QB 1 69 VAL H 3.670 . 3.670 2.614 2.500 2.706 . 0 0 "[ . 1]" 1
410 1 69 VAL H 1 70 LYS H 3.120 . 3.120 2.678 2.592 2.768 . 0 0 "[ . 1]" 1
411 1 69 VAL H 1 70 LYS QB 5.140 . 5.140 4.650 4.418 4.863 . 0 0 "[ . 1]" 1
412 1 69 VAL H 1 105 LEU MD1 6.760 . 6.760 6.010 5.403 6.783 0.023 7 0 "[ . 1]" 1
413 1 69 VAL H 1 71 ILE MD 6.440 . 6.440 5.301 4.924 6.140 . 0 0 "[ . 1]" 1
414 1 70 LYS H 1 71 ILE H 3.000 . 3.000 2.588 2.474 2.691 . 0 0 "[ . 1]" 1
415 1 70 LYS HA 1 71 ILE H 3.390 . 3.390 3.215 3.107 3.461 0.071 7 0 "[ . 1]" 1
416 1 70 LYS H 1 71 ILE MG 6.510 . 6.510 5.461 4.353 5.774 . 0 0 "[ . 1]" 1
417 1 70 LYS HA 1 72 HIS H 6.370 . 6.370 6.058 5.830 6.508 0.138 10 0 "[ . 1]" 1
418 1 71 ILE MG 1 75 TYR QB 5.070 . 5.070 2.781 2.323 3.715 . 0 0 "[ . 1]" 1
419 1 71 ILE MG 1 76 CYS QB 5.090 . 5.090 2.680 2.332 3.024 . 0 0 "[ . 1]" 1
420 1 71 ILE MG 1 76 CYS H 5.410 . 5.410 3.263 2.865 4.019 . 0 0 "[ . 1]" 1
421 1 71 ILE MG 1 75 TYR H 6.460 . 6.460 3.941 3.478 4.400 . 0 0 "[ . 1]" 1
422 1 71 ILE QG 1 112 MET ME 5.210 . 5.210 2.289 1.746 2.898 . 0 0 "[ . 1]" 1
423 1 71 ILE MD 1 75 TYR H 6.880 . 6.880 6.130 4.718 6.782 . 0 0 "[ . 1]" 1
424 1 71 ILE MD 1 109 LEU HG 6.810 . 6.810 6.393 5.635 6.918 0.108 9 0 "[ . 1]" 1
425 1 71 ILE MD 1 105 LEU QD 3.200 . 3.200 2.211 1.990 2.756 . 0 0 "[ . 1]" 1
426 1 71 ILE MD 1 76 CYS H 5.500 . 5.500 4.971 3.804 5.601 0.101 9 0 "[ . 1]" 1
427 1 71 ILE HA 1 108 VAL MG1 7.210 . 7.210 5.562 4.835 6.578 . 0 0 "[ . 1]" 1
428 1 71 ILE MD 1 108 VAL MG1 5.300 . 5.300 3.112 2.011 3.790 . 0 0 "[ . 1]" 1
429 1 71 ILE MG 1 75 TYR QE 6.880 . 6.880 5.664 4.063 6.731 . 0 0 "[ . 1]" 1
430 1 71 ILE MD 1 75 TYR QB 6.680 . 6.680 4.289 2.933 4.959 . 0 0 "[ . 1]" 1
431 1 71 ILE MG 1 105 LEU QD 5.860 . 5.860 4.214 4.017 4.450 . 0 0 "[ . 1]" 1
432 1 71 ILE MD 1 79 ALA MB 6.180 . 6.180 3.412 2.723 3.880 . 0 0 "[ . 1]" 1
433 1 71 ILE MD 1 108 VAL MG2 7.790 . 7.790 3.008 2.031 4.466 . 0 0 "[ . 1]" 1
434 1 71 ILE MD 1 112 MET ME 4.980 . 4.980 3.173 2.648 3.864 . 0 0 "[ . 1]" 1
435 1 71 ILE HA 1 75 TYR QD 6.560 . 6.560 5.635 4.794 6.397 . 0 0 "[ . 1]" 1
436 1 71 ILE HA 1 72 HIS H 2.880 . 2.880 2.261 2.080 2.690 . 0 0 "[ . 1]" 1
437 1 71 ILE MD 1 109 LEU H 6.580 . 6.580 5.186 4.713 6.178 . 0 0 "[ . 1]" 1
438 1 71 ILE MD 1 72 HIS H 4.820 . 4.820 4.548 3.418 4.923 0.103 2 0 "[ . 1]" 1
439 1 71 ILE MG 1 72 HIS H 4.120 . 4.120 2.445 2.065 2.805 . 0 0 "[ . 1]" 1
440 1 71 ILE H 1 76 CYS QB 6.780 . 6.780 6.390 5.857 6.796 0.016 7 0 "[ . 1]" 1
441 1 71 ILE H 1 112 MET QB 8.710 . 8.710 5.985 4.787 6.675 . 0 0 "[ . 1]" 1
442 1 71 ILE H 1 105 LEU QD 6.920 . 6.920 5.855 5.630 6.091 . 0 0 "[ . 1]" 1
443 1 71 ILE H 1 72 HIS HA 5.440 . 5.440 5.222 5.120 5.468 0.028 7 0 "[ . 1]" 1
444 1 71 ILE QG 1 72 HIS H 4.170 . 4.170 3.489 1.661 4.027 . 0 0 "[ . 1]" 1
445 1 71 ILE MD 1 105 LEU MD2 4.520 . 4.520 3.648 2.105 4.206 . 0 0 "[ . 1]" 1
446 1 71 ILE H 1 105 LEU MD2 8.460 . 8.460 8.086 6.349 8.545 0.085 10 0 "[ . 1]" 1
447 1 71 ILE H 1 105 LEU MD1 6.700 . 6.700 6.067 5.744 6.739 0.039 7 0 "[ . 1]" 1
448 1 71 ILE MD 1 105 LEU MD1 3.750 . 3.750 2.336 2.000 3.173 . 0 0 "[ . 1]" 1
449 1 71 ILE MG 1 112 MET ME 5.140 . 5.140 2.626 1.940 4.012 . 0 0 "[ . 1]" 1
450 1 71 ILE HA 1 112 MET ME 3.420 . 3.420 2.731 1.997 3.458 0.038 5 0 "[ . 1]" 1
451 1 71 ILE MD 1 75 TYR QD 6.180 . 6.180 5.281 3.906 6.328 0.148 7 0 "[ . 1]" 1
452 1 71 ILE MG 1 75 TYR QD 5.520 . 5.520 4.058 2.401 5.229 . 0 0 "[ . 1]" 1
453 1 71 ILE MG 1 76 CYS HA 5.500 . 5.500 3.070 2.527 3.952 . 0 0 "[ . 1]" 1
454 1 72 HIS H 1 76 CYS QB 5.560 . 5.560 5.396 4.761 5.663 0.103 9 0 "[ . 1]" 1
455 1 72 HIS H 1 112 MET QB 6.180 . 6.180 4.527 3.629 5.257 . 0 0 "[ . 1]" 1
456 1 72 HIS HA 1 112 MET ME 6.060 . 6.060 5.268 4.684 5.805 . 0 0 "[ . 1]" 1
457 1 72 HIS H 1 75 TYR QE 6.750 . 6.750 5.729 5.223 6.173 . 0 0 "[ . 1]" 1
458 1 74 SER H 1 75 TYR H 4.370 . 4.370 2.628 2.481 2.761 . 0 0 "[ . 1]" 1
459 1 75 TYR QE 1 76 CYS H 6.540 . 6.540 6.431 6.210 6.618 0.078 6 0 "[ . 1]" 1
460 1 75 TYR QE 1 79 ALA H 8.160 . 8.160 6.561 4.128 7.701 . 0 0 "[ . 1]" 1
461 1 75 TYR HA 1 77 GLY H 4.880 . 4.880 4.264 4.092 4.588 . 0 0 "[ . 1]" 1
462 1 75 TYR QE 1 112 MET ME 5.990 . 5.990 4.188 3.047 5.249 . 0 0 "[ . 1]" 1
463 1 75 TYR QD 1 112 MET ME 5.140 . 5.140 3.130 2.649 4.307 . 0 0 "[ . 1]" 1
464 1 75 TYR QB 1 112 MET ME 4.950 . 4.950 2.779 1.971 4.240 . 0 0 "[ . 1]" 1
465 1 75 TYR H 1 79 ALA MB 6.680 . 6.680 5.842 5.720 5.962 . 0 0 "[ . 1]" 1
466 1 75 TYR H 1 76 CYS H 2.930 . 2.930 2.307 2.137 2.479 . 0 0 "[ . 1]" 1
467 1 75 TYR HA 1 76 CYS H 3.410 . 3.410 3.393 3.355 3.430 0.020 10 0 "[ . 1]" 1
468 1 75 TYR QE 1 112 MET H 8.960 . 8.960 6.245 4.046 7.849 . 0 0 "[ . 1]" 1
469 1 75 TYR QD 1 112 MET H 8.560 . 8.560 6.337 4.675 7.501 . 0 0 "[ . 1]" 1
470 1 75 TYR QD 1 79 ALA H 5.920 . 5.920 5.052 3.331 5.893 . 0 0 "[ . 1]" 1
471 1 75 TYR H 1 76 CYS QB 5.150 . 5.150 4.080 3.885 4.404 . 0 0 "[ . 1]" 1
472 1 76 CYS H 1 77 GLY H 3.310 . 3.310 2.709 2.665 2.742 . 0 0 "[ . 1]" 1
473 1 76 CYS HA 1 77 GLY H 3.340 . 3.340 3.517 3.504 3.530 0.190 10 0 "[ . 1]" 1
474 1 76 CYS QB 1 77 GLY H 3.730 . 3.730 2.525 2.338 3.359 . 0 0 "[ . 1]" 1
475 1 76 CYS QB 1 79 ALA H 6.360 . 6.360 5.377 5.317 5.435 . 0 0 "[ . 1]" 1
476 1 76 CYS H 1 79 ALA MB 5.090 . 5.090 4.437 4.364 4.515 . 0 0 "[ . 1]" 1
477 1 77 GLY H 1 79 ALA MB 5.570 . 5.570 4.575 4.514 4.650 . 0 0 "[ . 1]" 1
478 1 77 GLY H 1 80 ILE H 4.630 . 4.630 4.723 4.670 4.806 0.176 6 0 "[ . 1]" 1
479 1 77 GLY H 1 80 ILE HB 5.410 . 5.410 5.060 4.847 5.250 . 0 0 "[ . 1]" 1
480 1 79 ALA MB 1 83 PHE QD 6.200 . 6.200 5.817 5.515 6.208 0.008 5 0 "[ . 1]" 1
481 1 79 ALA MB 1 83 PHE QE 8.030 . 8.030 7.330 6.943 7.829 . 0 0 "[ . 1]" 1
482 1 79 ALA H 1 80 ILE HB 5.060 . 5.060 5.089 4.925 5.200 0.140 1 0 "[ . 1]" 1
483 1 79 ALA H 1 80 ILE HA 5.270 . 5.270 5.532 5.507 5.553 0.283 9 0 "[ . 1]" 1
484 1 79 ALA MB 1 80 ILE H 3.470 . 3.470 2.488 2.416 2.575 . 0 0 "[ . 1]" 1
485 1 79 ALA HA 1 81 LEU H 4.760 . 4.760 4.769 4.721 4.822 0.062 4 0 "[ . 1]" 1
486 1 79 ALA MB 1 105 LEU MD2 4.090 . 4.090 3.625 3.221 4.010 . 0 0 "[ . 1]" 1
487 1 79 ALA MB 1 80 ILE HA 4.420 . 4.420 3.808 3.774 3.834 . 0 0 "[ . 1]" 1
488 1 79 ALA MB 1 80 ILE MD 4.200 . 4.200 3.003 2.407 4.255 0.055 2 0 "[ . 1]" 1
489 1 79 ALA MB 1 108 VAL MG2 3.500 . 3.500 3.196 2.785 3.621 0.121 9 0 "[ . 1]" 1
490 1 80 ILE HB 1 81 LEU H 3.050 . 3.050 2.678 2.337 2.901 . 0 0 "[ . 1]" 1
491 1 80 ILE HA 1 81 LEU H 3.260 . 3.260 3.484 3.468 3.494 0.234 10 0 "[ . 1]" 1
492 1 80 ILE MD 1 101 PHE QE 5.680 . 5.680 4.552 3.991 5.822 0.142 2 0 "[ . 1]" 1
493 1 80 ILE MG 1 84 ARG HE 4.880 . 4.880 3.344 2.025 4.596 . 0 0 "[ . 1]" 1
494 1 80 ILE HB 1 81 LEU QD 5.250 . 5.250 4.434 3.218 5.336 0.086 9 0 "[ . 1]" 1
495 1 81 LEU QD 1 85 GLN QE 5.810 . 5.810 4.856 3.661 5.838 0.028 9 0 "[ . 1]" 1
496 1 81 LEU QD 1 82 ARG H 5.200 . 5.200 3.929 3.674 4.169 . 0 0 "[ . 1]" 1
497 1 82 ARG H 1 88 ALA MB 9.670 . 9.670 8.734 8.611 8.868 . 0 0 "[ . 1]" 1
498 1 83 PHE QE 1 87 LEU MD1 5.440 . 5.440 2.877 2.401 3.432 . 0 0 "[ . 1]" 1
499 1 83 PHE HZ 1 87 LEU MD1 5.300 . 5.300 3.035 2.833 3.296 . 0 0 "[ . 1]" 1
500 1 83 PHE QB 1 87 LEU MD1 7.800 . 7.800 5.231 5.047 5.521 . 0 0 "[ . 1]" 1
501 1 83 PHE QE 1 87 LEU MD2 6.500 . 6.500 4.755 4.352 5.348 . 0 0 "[ . 1]" 1
502 1 83 PHE QD 1 87 LEU MD2 6.500 . 6.500 5.234 4.983 5.686 . 0 0 "[ . 1]" 1
503 1 83 PHE QB 1 87 LEU MD2 7.980 . 7.980 6.205 5.924 6.327 . 0 0 "[ . 1]" 1
504 1 83 PHE HZ 1 87 LEU MD2 6.820 . 6.820 5.546 4.904 5.854 . 0 0 "[ . 1]" 1
505 1 83 PHE HZ 1 101 PHE H 3.680 . 3.680 3.653 3.489 3.790 0.110 8 0 "[ . 1]" 1
506 1 83 PHE HZ 1 100 LEU H 5.610 . 5.610 4.903 4.651 5.101 . 0 0 "[ . 1]" 1
507 1 83 PHE QB 1 87 LEU H 5.510 . 5.510 5.149 5.060 5.215 . 0 0 "[ . 1]" 1
508 1 83 PHE QE 1 86 LEU H 6.770 . 6.770 6.564 6.263 6.725 . 0 0 "[ . 1]" 1
509 1 83 PHE HA 1 87 LEU MD1 7.020 . 7.020 5.640 5.540 5.821 . 0 0 "[ . 1]" 1
510 1 84 ARG HA 1 86 LEU QD 8.310 . 8.310 5.950 5.808 6.137 . 0 0 "[ . 1]" 1
511 1 86 LEU H 1 88 ALA MB 4.670 . 4.670 4.710 4.594 4.815 0.145 7 0 "[ . 1]" 1
512 1 86 LEU QD 1 88 ALA H 5.950 . 5.950 5.143 4.841 5.312 . 0 0 "[ . 1]" 1
513 1 86 LEU H 1 89 GLU QB 5.670 . 5.670 4.900 4.476 5.178 . 0 0 "[ . 1]" 1
514 1 86 LEU H 1 87 LEU MD2 5.920 . 5.920 5.809 5.702 5.968 0.048 1 0 "[ . 1]" 1
515 1 86 LEU QD 1 89 GLU H 6.180 . 6.180 4.448 4.057 4.858 . 0 0 "[ . 1]" 1
516 1 86 LEU QD 1 90 GLN H 6.140 . 6.140 4.670 4.146 5.709 . 0 0 "[ . 1]" 1
517 1 86 LEU QD 1 90 GLN QE 5.520 . 5.520 2.757 1.655 3.382 . 0 0 "[ . 1]" 1
518 1 86 LEU HA 1 87 LEU MD1 7.380 . 7.380 6.929 6.604 7.012 . 0 0 "[ . 1]" 1
519 1 86 LEU H 1 87 LEU MD1 6.550 . 6.550 6.093 5.944 6.234 . 0 0 "[ . 1]" 1
520 1 86 LEU H 1 87 LEU H 3.870 . 3.870 2.492 2.390 2.648 . 0 0 "[ . 1]" 1
521 1 87 LEU MD1 1 88 ALA H 4.640 . 4.640 4.712 4.667 4.821 0.181 1 0 "[ . 1]" 1
522 1 87 LEU MD2 1 88 ALA H 3.600 . 3.600 3.080 2.944 3.621 0.021 1 0 "[ . 1]" 1
523 1 87 LEU MD1 1 89 GLU H 6.710 . 6.710 6.281 6.002 6.383 . 0 0 "[ . 1]" 1
524 1 87 LEU MD1 1 91 GLU H 7.440 . 7.440 6.091 5.609 6.379 . 0 0 "[ . 1]" 1
525 1 87 LEU QB 1 101 PHE H 7.380 . 7.380 6.501 6.154 6.819 . 0 0 "[ . 1]" 1
526 1 87 LEU HG 1 88 ALA H 4.080 . 4.080 4.266 4.143 4.396 0.316 10 0 "[ . 1]" 1
527 1 87 LEU MD1 1 101 PHE H 7.250 . 7.250 5.570 4.996 5.829 . 0 0 "[ . 1]" 1
528 1 87 LEU HG 1 101 PHE H 7.960 . 7.960 7.974 7.581 8.104 0.144 10 0 "[ . 1]" 1
529 1 87 LEU H 1 89 GLU QG 6.850 . 6.850 5.791 5.086 6.816 . 0 0 "[ . 1]" 1
530 1 87 LEU MD2 1 89 GLU H 5.440 . 5.440 4.746 4.626 5.277 . 0 0 "[ . 1]" 1
531 1 87 LEU HG 1 89 GLU H 6.230 . 6.230 5.660 5.327 5.842 . 0 0 "[ . 1]" 1
532 1 87 LEU MD2 1 90 GLN H 6.270 . 6.270 5.154 4.983 5.405 . 0 0 "[ . 1]" 1
533 1 87 LEU MD1 1 90 GLN H 7.520 . 7.520 6.147 5.499 6.443 . 0 0 "[ . 1]" 1
534 1 87 LEU H 1 89 GLU H 3.860 . 3.860 3.928 3.852 4.021 0.161 3 0 "[ . 1]" 1
535 1 87 LEU MD2 1 90 GLN QE 6.810 . 6.810 6.338 5.359 6.939 0.129 2 0 "[ . 1]" 1
536 1 87 LEU MD1 1 90 GLN QE 7.330 . 7.330 6.377 4.442 7.441 0.111 10 0 "[ . 1]" 1
537 1 87 LEU MD1 1 94 VAL MG2 9.700 . 9.700 5.723 5.492 6.040 . 0 0 "[ . 1]" 1
538 1 87 LEU MD1 1 88 ALA MB 6.510 . 6.510 5.190 5.044 5.480 . 0 0 "[ . 1]" 1
539 1 87 LEU MD2 1 94 VAL MG2 9.440 . 9.440 7.037 6.677 7.499 . 0 0 "[ . 1]" 1
540 1 87 LEU MD1 1 97 VAL MG2 5.300 . 5.300 1.837 1.785 1.928 . 0 0 "[ . 1]" 1
541 1 87 LEU MD2 1 97 VAL MG2 5.710 . 5.710 3.470 2.961 3.634 . 0 0 "[ . 1]" 1
542 1 87 LEU HG 1 88 ALA MB 5.640 . 5.640 5.110 4.906 5.277 . 0 0 "[ . 1]" 1
543 1 87 LEU MD1 1 100 LEU MD2 7.620 . 7.620 3.484 2.402 5.857 . 0 0 "[ . 1]" 1
544 1 87 LEU MD1 1 97 VAL QG 4.610 . 4.610 1.769 1.705 1.813 . 0 0 "[ . 1]" 1
545 1 87 LEU QB 1 97 VAL QG 4.560 . 4.560 3.669 3.512 4.006 . 0 0 "[ . 1]" 1
546 1 87 LEU MD2 1 88 ALA MB 4.670 . 4.670 3.178 2.888 3.663 . 0 0 "[ . 1]" 1
547 1 87 LEU MD2 1 88 ALA HA 4.200 . 4.200 2.727 2.524 3.424 . 0 0 "[ . 1]" 1
548 1 87 LEU H 1 88 ALA H 3.080 . 3.080 2.622 2.568 2.705 . 0 0 "[ . 1]" 1
549 1 87 LEU H 1 88 ALA HA 5.130 . 5.130 5.251 5.205 5.313 0.183 7 0 "[ . 1]" 1
550 1 87 LEU H 1 88 ALA MB 4.890 . 4.890 4.308 4.253 4.404 . 0 0 "[ . 1]" 1
551 1 87 LEU MD2 1 91 GLU H 6.500 . 6.500 4.557 4.271 4.931 . 0 0 "[ . 1]" 1
552 1 88 ALA MB 1 90 GLN H 5.050 . 5.050 4.557 4.461 4.599 . 0 0 "[ . 1]" 1
553 1 88 ALA MB 1 90 GLN QE 5.890 . 5.890 5.882 5.762 6.022 0.132 3 0 "[ . 1]" 1
554 1 88 ALA MB 1 89 GLU QB 5.330 . 5.330 4.153 3.782 4.399 . 0 0 "[ . 1]" 1
555 1 88 ALA MB 1 89 GLU QG 6.110 . 6.110 4.083 3.217 5.446 . 0 0 "[ . 1]" 1
556 1 88 ALA H 1 90 GLN H 3.820 . 3.820 3.982 3.896 4.065 0.245 3 0 "[ . 1]" 1
557 1 88 ALA H 1 89 GLU H 2.840 . 2.840 2.453 2.290 2.527 . 0 0 "[ . 1]" 1
558 1 88 ALA HA 1 89 GLU H 3.220 . 3.220 3.429 3.381 3.468 0.248 9 0 "[ . 1]" 1
559 1 88 ALA MB 1 89 GLU H 2.830 . 2.830 2.750 2.670 2.827 . 0 0 "[ . 1]" 1
560 1 88 ALA MB 1 91 GLU H 5.740 . 5.740 4.466 4.392 4.542 . 0 0 "[ . 1]" 1
561 1 88 ALA H 1 89 GLU QB 4.790 . 4.790 4.412 4.030 4.652 . 0 0 "[ . 1]" 1
562 1 89 GLU HA 1 90 GLN QE 5.770 . 5.770 4.946 4.049 5.936 0.166 4 0 "[ . 1]" 1
563 1 89 GLU QB 1 90 GLN QE 5.190 . 5.190 2.767 1.887 4.031 . 0 0 "[ . 1]" 1
564 1 89 GLU H 1 90 GLN H 2.770 . 2.770 2.387 2.341 2.465 . 0 0 "[ . 1]" 1
565 1 89 GLU HA 1 90 GLN H 3.280 . 3.280 3.470 3.426 3.506 0.226 7 0 "[ . 1]" 1
566 1 89 GLU QB 1 90 GLN H 3.380 . 3.380 2.608 2.475 2.766 . 0 0 "[ . 1]" 1
567 1 89 GLU H 1 91 GLU H 3.990 . 3.990 3.593 3.556 3.643 . 0 0 "[ . 1]" 1
568 1 89 GLU H 1 90 GLN QB 5.750 . 5.750 4.427 4.263 4.715 . 0 0 "[ . 1]" 1
569 1 89 GLU H 1 90 GLN QE 4.200 . 4.200 4.139 3.866 4.304 0.104 3 0 "[ . 1]" 1
570 1 90 GLN QE 1 91 GLU H 4.950 . 4.950 4.762 4.503 5.140 0.190 9 0 "[ . 1]" 1
571 1 90 GLN HA 1 91 GLU H 3.360 . 3.360 3.303 3.241 3.350 . 0 0 "[ . 1]" 1
572 1 91 GLU H 1 100 LEU MD2 7.120 . 7.120 5.971 5.569 6.916 . 0 0 "[ . 1]" 1
573 1 91 GLU H 1 92 PRO QG 5.940 . 5.940 5.549 5.233 5.920 . 0 0 "[ . 1]" 1
574 1 91 GLU H 1 92 PRO QD 4.430 . 4.430 3.845 3.470 4.074 . 0 0 "[ . 1]" 1
575 1 92 PRO QD 1 93 GLU H 5.290 . 5.290 4.921 4.856 4.986 . 0 0 "[ . 1]" 1
576 1 92 PRO HA 1 93 GLU H 2.640 . 2.640 2.125 2.080 2.207 . 0 0 "[ . 1]" 1
577 1 93 GLU H 1 94 VAL MG2 6.130 . 6.130 5.536 5.402 5.661 . 0 0 "[ . 1]" 1
578 1 93 GLU HA 1 94 VAL MG2 6.020 . 6.020 5.373 5.209 5.473 . 0 0 "[ . 1]" 1
579 1 93 GLU H 1 96 GLU H 4.420 . 4.420 4.581 4.475 4.667 0.247 5 0 "[ . 1]" 1
580 1 93 GLU H 1 97 VAL MG2 3.170 . 3.170 2.491 2.284 2.698 . 0 0 "[ . 1]" 1
581 1 93 GLU H 1 97 VAL MG1 6.090 . 6.090 5.080 4.803 5.307 . 0 0 "[ . 1]" 1
582 1 93 GLU HA 1 94 VAL H 2.780 . 2.780 2.090 2.026 2.155 . 0 0 "[ . 1]" 1
583 1 93 GLU QG 1 94 VAL H 4.660 . 4.660 3.857 2.783 4.617 . 0 0 "[ . 1]" 1
584 1 93 GLU H 1 97 VAL H 4.190 . 4.190 4.064 3.927 4.271 0.081 9 0 "[ . 1]" 1
585 1 93 GLU HA 1 95 GLN H 4.010 . 4.010 3.790 3.462 4.014 0.004 7 0 "[ . 1]" 1
586 1 93 GLU H 1 95 GLN H 5.340 . 5.340 5.168 4.971 5.290 . 0 0 "[ . 1]" 1
587 1 93 GLU HA 1 94 VAL MG1 4.150 . 4.150 3.947 3.690 4.247 0.097 8 0 "[ . 1]" 1
588 1 93 GLU H 1 97 VAL QG 4.210 . 4.210 2.486 2.280 2.691 . 0 0 "[ . 1]" 1
589 1 93 GLU H 1 94 VAL MG1 5.730 . 5.730 5.398 5.184 5.650 . 0 0 "[ . 1]" 1
590 1 94 VAL MG1 1 96 GLU HA 8.060 . 8.060 6.371 6.310 6.427 . 0 0 "[ . 1]" 1
591 1 94 VAL MG2 1 97 VAL H 4.970 . 4.970 4.644 4.404 4.787 . 0 0 "[ . 1]" 1
592 1 94 VAL HA 1 97 VAL QG 3.150 . 3.150 2.277 1.995 2.475 . 0 0 "[ . 1]" 1
593 1 94 VAL H 1 97 VAL QG 5.330 . 5.330 3.563 3.372 3.948 . 0 0 "[ . 1]" 1
594 1 94 VAL MG2 1 98 SER H 5.540 . 5.540 4.124 3.889 4.239 . 0 0 "[ . 1]" 1
595 1 94 VAL MG2 1 97 VAL HB 3.870 . 3.870 3.387 3.013 3.642 . 0 0 "[ . 1]" 1
596 1 94 VAL MG1 1 97 VAL HB 5.570 . 5.570 4.835 4.619 5.053 . 0 0 "[ . 1]" 1
597 1 94 VAL MG1 1 98 SER H 6.290 . 6.290 5.096 4.895 5.282 . 0 0 "[ . 1]" 1
598 1 94 VAL HA 1 95 GLN H 3.450 . 3.450 3.461 3.409 3.506 0.056 7 0 "[ . 1]" 1
599 1 94 VAL HB 1 95 GLN H 3.520 . 3.520 3.810 3.754 3.872 0.352 6 0 "[ . 1]" 1
600 1 94 VAL MG1 1 95 GLN QE 5.410 . 5.410 3.231 2.145 4.140 . 0 0 "[ . 1]" 1
601 1 94 VAL MG2 1 95 GLN H 4.700 . 4.700 3.856 3.699 4.050 . 0 0 "[ . 1]" 1
602 1 94 VAL MG1 1 95 GLN H 3.850 . 3.850 2.204 2.109 2.332 . 0 0 "[ . 1]" 1
603 1 94 VAL MG1 1 97 VAL H 5.300 . 5.300 4.845 4.721 4.942 . 0 0 "[ . 1]" 1
604 1 95 GLN H 1 96 GLU H 3.050 . 3.050 2.532 2.441 2.634 . 0 0 "[ . 1]" 1
605 1 95 GLN H 1 97 VAL H 3.820 . 3.820 3.832 3.706 3.910 0.090 8 0 "[ . 1]" 1
606 1 95 GLN H 1 96 GLU HA 5.110 . 5.110 5.149 5.052 5.229 0.119 9 0 "[ . 1]" 1
607 1 95 GLN HA 1 97 VAL H 4.350 . 4.350 4.365 4.160 4.428 0.078 1 0 "[ . 1]" 1
608 1 95 GLN H 1 99 GLN QE 7.810 . 7.810 6.762 6.221 7.721 . 0 0 "[ . 1]" 1
609 1 95 GLN QE 1 96 GLU HA 5.750 . 5.750 5.330 4.617 5.828 0.078 4 0 "[ . 1]" 1
610 1 95 GLN H 1 96 GLU QB 5.150 . 5.150 4.404 4.166 4.724 . 0 0 "[ . 1]" 1
611 1 96 GLU H 1 97 VAL MG2 4.460 . 4.460 3.615 3.527 3.829 . 0 0 "[ . 1]" 1
612 1 96 GLU HA 1 98 SER H 4.600 . 4.600 4.541 4.385 4.661 0.061 6 0 "[ . 1]" 1
613 1 96 GLU HA 1 97 VAL H 3.340 . 3.340 3.450 3.429 3.471 0.131 8 0 "[ . 1]" 1
614 1 96 GLU QB 1 97 VAL H 3.530 . 3.530 2.687 2.512 2.879 . 0 0 "[ . 1]" 1
615 1 96 GLU H 1 97 VAL H 3.010 . 3.010 2.218 2.150 2.278 . 0 0 "[ . 1]" 1
616 1 96 GLU HA 1 99 GLN H 3.810 . 3.810 3.373 3.087 3.613 . 0 0 "[ . 1]" 1
617 1 97 VAL MG2 1 99 GLN H 6.530 . 6.530 5.359 5.281 5.531 . 0 0 "[ . 1]" 1
618 1 97 VAL HA 1 99 GLN H 4.720 . 4.720 4.595 4.512 4.731 0.011 1 0 "[ . 1]" 1
619 1 97 VAL QG 1 98 SER H 4.020 . 4.020 2.964 2.899 3.033 . 0 0 "[ . 1]" 1
620 1 97 VAL QG 1 101 PHE QB 6.820 . 6.820 3.119 2.950 3.327 . 0 0 "[ . 1]" 1
621 1 97 VAL QG 1 101 PHE HZ 9.590 . 9.590 6.780 6.510 7.080 . 0 0 "[ . 1]" 1
622 1 97 VAL HA 1 98 SER H 3.750 . 3.750 3.533 3.513 3.550 . 0 0 "[ . 1]" 1
623 1 97 VAL H 1 98 SER H 3.540 . 3.540 2.863 2.835 2.922 . 0 0 "[ . 1]" 1
624 1 97 VAL MG2 1 98 SER H 4.260 . 4.260 3.715 3.669 3.758 . 0 0 "[ . 1]" 1
625 1 97 VAL HB 1 98 SER H 2.880 . 2.880 2.296 2.232 2.327 . 0 0 "[ . 1]" 1
626 1 97 VAL H 1 98 SER HA 5.160 . 5.160 5.368 5.345 5.410 0.250 5 0 "[ . 1]" 1
627 1 97 VAL HA 1 100 LEU H 3.930 . 3.930 3.826 3.738 3.945 0.015 1 0 "[ . 1]" 1
628 1 98 SER H 1 100 LEU H 4.120 . 4.120 4.167 4.125 4.222 0.102 9 0 "[ . 1]" 1
629 1 98 SER H 1 101 PHE QD 6.700 . 6.700 6.260 6.104 6.346 . 0 0 "[ . 1]" 1
630 1 98 SER H 1 101 PHE QB 5.130 . 5.130 4.426 4.384 4.473 . 0 0 "[ . 1]" 1
631 1 98 SER H 1 99 GLN H 3.090 . 3.090 2.657 2.583 2.744 . 0 0 "[ . 1]" 1
632 1 99 GLN QG 1 100 LEU H 4.720 . 4.720 3.683 2.373 4.319 . 0 0 "[ . 1]" 1
633 1 99 GLN QB 1 100 LEU H 3.990 . 3.990 2.642 2.432 3.565 . 0 0 "[ . 1]" 1
634 1 99 GLN H 1 101 PHE QD 6.970 . 6.970 6.452 6.178 6.645 . 0 0 "[ . 1]" 1
635 1 99 GLN QE 1 100 LEU QD 7.430 . 7.430 4.568 2.913 5.399 . 0 0 "[ . 1]" 1
636 1 99 GLN H 1 100 LEU QB 5.240 . 5.240 4.350 4.327 4.388 . 0 0 "[ . 1]" 1
637 1 99 GLN QE 1 101 PHE QB 7.510 . 7.510 6.943 6.209 7.275 . 0 0 "[ . 1]" 1
638 1 99 GLN QE 1 100 LEU QB 5.160 . 5.160 4.066 2.420 5.293 0.133 9 0 "[ . 1]" 1
639 1 99 GLN H 1 101 PHE QE 9.300 . 9.300 8.562 8.302 8.743 . 0 0 "[ . 1]" 1
640 1 99 GLN QG 1 101 PHE H 6.200 . 6.200 5.147 4.464 5.715 . 0 0 "[ . 1]" 1
641 1 99 GLN HA 1 103 SER H 3.900 . 3.900 3.981 3.888 4.063 0.163 5 0 "[ . 1]" 1
642 1 100 LEU MD1 1 104 VAL HB 4.880 . 4.880 4.121 2.751 4.869 . 0 0 "[ . 1]" 1
643 1 100 LEU MD1 1 104 VAL H 4.290 . 4.290 3.304 2.987 3.442 . 0 0 "[ . 1]" 1
644 1 100 LEU H 1 101 PHE H 3.100 . 3.100 2.306 2.246 2.355 . 0 0 "[ . 1]" 1
645 1 100 LEU H 1 101 PHE QB 4.050 . 4.050 4.110 4.085 4.158 0.108 8 0 "[ . 1]" 1
646 1 100 LEU QD 1 101 PHE H 4.680 . 4.680 3.962 3.709 4.037 . 0 0 "[ . 1]" 1
647 1 100 LEU H 1 101 PHE QE 8.180 . 8.180 8.161 8.124 8.189 0.009 2 0 "[ . 1]" 1
648 1 100 LEU MD1 1 105 LEU H 5.690 . 5.690 5.627 5.024 5.723 0.033 8 0 "[ . 1]" 1
649 1 100 LEU MD2 1 105 LEU H 8.380 . 8.380 7.041 6.437 7.252 . 0 0 "[ . 1]" 1
650 1 100 LEU QD 1 102 ARG H 6.530 . 6.530 5.158 4.724 5.294 . 0 0 "[ . 1]" 1
651 1 100 LEU H 1 102 ARG H 4.200 . 4.200 3.976 3.901 4.022 . 0 0 "[ . 1]" 1
652 1 100 LEU HA 1 101 PHE H 3.340 . 3.340 3.428 3.402 3.442 0.102 4 0 "[ . 1]" 1
653 1 101 PHE QD 1 102 ARG H 4.320 . 4.320 3.813 3.569 3.974 . 0 0 "[ . 1]" 1
654 1 101 PHE QD 1 103 SER H 5.560 . 5.560 5.588 5.444 5.669 0.109 2 0 "[ . 1]" 1
655 1 101 PHE QE 1 102 ARG H 6.590 . 6.590 5.849 5.600 6.086 . 0 0 "[ . 1]" 1
656 1 101 PHE QE 1 104 VAL H 7.530 . 7.530 7.356 7.250 7.480 . 0 0 "[ . 1]" 1
657 1 101 PHE QB 1 102 ARG H 3.340 . 3.340 2.558 2.485 2.598 . 0 0 "[ . 1]" 1
658 1 101 PHE QB 1 103 SER H 4.480 . 4.480 4.524 4.502 4.550 0.070 4 0 "[ . 1]" 1
659 1 101 PHE HZ 1 105 LEU MD2 5.480 . 5.480 3.610 3.282 3.997 . 0 0 "[ . 1]" 1
660 1 101 PHE QE 1 105 LEU MD2 5.150 . 5.150 3.113 2.937 3.424 . 0 0 "[ . 1]" 1
661 1 101 PHE QD 1 105 LEU MD2 5.560 . 5.560 3.360 3.161 4.132 . 0 0 "[ . 1]" 1
662 1 101 PHE QE 1 105 LEU MD1 5.960 . 5.960 4.179 2.835 4.462 . 0 0 "[ . 1]" 1
663 1 101 PHE QD 1 105 LEU MD1 6.050 . 6.050 4.988 3.516 5.249 . 0 0 "[ . 1]" 1
664 1 101 PHE QD 1 104 VAL MG2 7.100 . 7.100 4.904 3.660 5.864 . 0 0 "[ . 1]" 1
665 1 101 PHE QB 1 105 LEU MD2 7.240 . 7.240 4.285 4.080 5.378 . 0 0 "[ . 1]" 1
666 1 101 PHE QB 1 105 LEU MD1 7.130 . 7.130 6.063 4.565 6.311 . 0 0 "[ . 1]" 1
667 1 101 PHE QE 1 104 VAL MG2 7.660 . 7.660 5.833 4.493 6.671 . 0 0 "[ . 1]" 1
668 1 101 PHE QE 1 104 VAL MG1 8.150 . 8.150 5.766 4.510 6.882 . 0 0 "[ . 1]" 1
669 1 101 PHE QD 1 104 VAL MG1 7.340 . 7.340 4.939 3.575 5.795 . 0 0 "[ . 1]" 1
670 1 101 PHE HZ 1 105 LEU MD1 6.310 . 6.310 4.247 2.719 4.722 . 0 0 "[ . 1]" 1
671 1 102 ARG H 1 103 SER H 2.950 . 2.950 2.339 2.297 2.391 . 0 0 "[ . 1]" 1
672 1 102 ARG H 1 104 VAL H 4.480 . 4.480 4.502 4.459 4.555 0.075 2 0 "[ . 1]" 1
673 1 102 ARG H 1 105 LEU MD1 7.120 . 7.120 6.734 4.970 7.061 . 0 0 "[ . 1]" 1
674 1 102 ARG QD 1 106 GLN QE 5.830 . 5.830 4.575 3.086 5.366 . 0 0 "[ . 1]" 1
675 1 102 ARG QB 1 103 SER H 3.820 . 3.820 2.637 2.359 2.826 . 0 0 "[ . 1]" 1
676 1 102 ARG QG 1 103 SER H 4.590 . 4.590 3.763 3.420 3.994 . 0 0 "[ . 1]" 1
677 1 103 SER H 1 104 VAL MG2 6.680 . 6.680 4.815 4.024 6.176 . 0 0 "[ . 1]" 1
678 1 103 SER H 1 104 VAL MG1 6.830 . 6.830 5.024 4.033 6.093 . 0 0 "[ . 1]" 1
679 1 103 SER H 1 105 LEU QD 6.890 . 6.890 5.145 5.042 5.391 . 0 0 "[ . 1]" 1
680 1 103 SER HA 1 104 VAL H 3.410 . 3.410 3.597 3.574 3.611 0.201 1 0 "[ . 1]" 1
681 1 103 SER H 1 107 GLU H 5.900 . 5.900 5.995 5.907 6.068 0.168 7 0 "[ . 1]" 1
682 1 104 VAL H 1 106 GLN QG 7.300 . 7.300 6.333 5.438 7.232 . 0 0 "[ . 1]" 1
683 1 104 VAL HB 1 105 LEU MD2 7.360 . 7.360 3.703 2.744 4.517 . 0 0 "[ . 1]" 1
684 1 104 VAL MG2 1 105 LEU H 4.360 . 4.360 3.266 2.106 3.824 . 0 0 "[ . 1]" 1
685 1 104 VAL MG2 1 105 LEU QD 7.580 . 7.580 3.243 2.018 4.169 . 0 0 "[ . 1]" 1
686 1 104 VAL MG1 1 105 LEU QD 7.410 . 7.410 3.034 1.896 4.807 . 0 0 "[ . 1]" 1
687 1 104 VAL HA 1 106 GLN H 4.990 . 4.990 4.230 4.110 4.320 . 0 0 "[ . 1]" 1
688 1 104 VAL HA 1 107 GLU H 3.660 . 3.660 3.258 3.100 3.402 . 0 0 "[ . 1]" 1
689 1 104 VAL H 1 105 LEU QD 6.350 . 6.350 4.302 4.166 4.963 . 0 0 "[ . 1]" 1
690 1 104 VAL H 1 107 GLU H 4.450 . 4.450 4.637 4.598 4.676 0.226 7 0 "[ . 1]" 1
691 1 105 LEU MD2 1 108 VAL MG2 6.780 . 6.780 4.339 3.104 5.222 . 0 0 "[ . 1]" 1
692 1 105 LEU HA 1 108 VAL MG2 4.750 . 4.750 3.585 1.900 4.828 0.078 7 0 "[ . 1]" 1
693 1 105 LEU MD1 1 108 VAL MG1 5.660 . 5.660 3.320 2.506 4.717 . 0 0 "[ . 1]" 1
694 1 105 LEU MD2 1 109 LEU H 6.360 . 6.360 5.704 5.037 5.894 . 0 0 "[ . 1]" 1
695 1 105 LEU MD1 1 109 LEU H 6.570 . 6.570 4.839 4.411 6.347 . 0 0 "[ . 1]" 1
696 1 105 LEU QD 1 112 MET ME 7.630 . 7.630 4.628 3.358 5.444 . 0 0 "[ . 1]" 1
697 1 105 LEU H 1 106 GLN H 2.920 . 2.920 2.741 2.663 2.839 . 0 0 "[ . 1]" 1
698 1 105 LEU QD 1 106 GLN H 5.250 . 5.250 4.032 3.984 4.127 . 0 0 "[ . 1]" 1
699 1 105 LEU QB 1 106 GLN H 3.240 . 3.240 2.795 2.585 2.922 . 0 0 "[ . 1]" 1
700 1 105 LEU QD 1 109 LEU H 6.220 . 6.220 4.519 4.247 4.853 . 0 0 "[ . 1]" 1
701 1 105 LEU QD 1 106 GLN QE 6.030 . 6.030 4.005 3.200 4.619 . 0 0 "[ . 1]" 1
702 1 105 LEU QB 1 106 GLN QE 3.330 . 3.330 2.745 2.351 3.413 0.083 10 0 "[ . 1]" 1
703 1 105 LEU QD 1 107 GLU H 6.500 . 6.500 4.888 4.787 5.141 . 0 0 "[ . 1]" 1
704 1 105 LEU MD2 1 108 VAL MG1 4.870 . 4.870 3.497 2.879 3.950 . 0 0 "[ . 1]" 1
705 1 105 LEU MD2 1 107 GLU H 6.320 . 6.320 5.345 5.216 5.467 . 0 0 "[ . 1]" 1
706 1 106 GLN H 1 107 GLU H 2.690 . 2.690 2.322 2.251 2.404 . 0 0 "[ . 1]" 1
707 1 106 GLN HA 1 107 GLU H 3.190 . 3.190 3.399 3.380 3.416 0.226 6 0 "[ . 1]" 1
708 1 106 GLN QE 1 109 LEU MD2 5.680 . 5.680 3.260 2.205 4.707 . 0 0 "[ . 1]" 1
709 1 106 GLN QE 1 109 LEU HA 7.280 . 7.280 5.741 5.346 6.136 . 0 0 "[ . 1]" 1
710 1 106 GLN QE 1 108 VAL H 6.190 . 6.190 5.993 5.870 6.200 0.010 1 0 "[ . 1]" 1
711 1 107 GLU H 1 109 LEU H 3.770 . 3.770 3.707 3.611 3.794 0.024 9 0 "[ . 1]" 1
712 1 107 GLU H 1 108 VAL MG1 5.060 . 5.060 4.075 3.780 4.350 . 0 0 "[ . 1]" 1
713 1 107 GLU QB 1 109 LEU H 5.180 . 5.180 4.349 4.302 4.417 . 0 0 "[ . 1]" 1
714 1 107 GLU HA 1 109 LEU H 4.870 . 4.870 4.169 4.107 4.270 . 0 0 "[ . 1]" 1
715 1 107 GLU H 1 112 MET H 8.100 . 8.100 7.891 7.785 8.194 0.094 7 0 "[ . 1]" 1
716 1 107 GLU H 1 108 VAL MG2 5.700 . 5.700 5.128 3.875 5.943 0.243 3 0 "[ . 1]" 1
717 1 107 GLU H 1 112 MET ME 8.740 . 8.740 7.337 5.984 7.912 . 0 0 "[ . 1]" 1
718 1 108 VAL H 1 109 LEU MD1 6.270 . 6.270 6.119 5.958 6.281 0.011 9 0 "[ . 1]" 1
719 1 108 VAL HA 1 109 LEU H 3.580 . 3.580 3.466 3.443 3.483 . 0 0 "[ . 1]" 1
720 1 108 VAL MG2 1 112 MET H 7.120 . 7.120 4.153 3.566 4.758 . 0 0 "[ . 1]" 1
721 1 108 VAL MG2 1 109 LEU H 4.770 . 4.770 3.322 2.328 4.082 . 0 0 "[ . 1]" 1
722 1 109 LEU H 1 111 ARG H 4.030 . 4.030 4.098 4.018 4.196 0.166 6 0 "[ . 1]" 1
723 1 111 ARG HE 1 112 MET ME 7.460 . 7.460 6.390 5.234 7.200 . 0 0 "[ . 1]" 1
724 1 112 MET HA 1 113 LYS H 3.250 . 3.250 3.477 3.434 3.505 0.255 3 0 "[ . 1]" 1
725 1 112 MET H 1 116 GLU QB 7.780 . 7.780 6.465 6.070 6.997 . 0 0 "[ . 1]" 1
726 1 112 MET QB 1 113 LYS H 3.450 . 3.450 2.684 2.252 3.513 0.063 7 0 "[ . 1]" 1
727 1 112 MET H 1 114 GLN H 4.240 . 4.240 4.072 3.817 4.444 0.204 7 0 "[ . 1]" 1
728 1 116 GLU HA 1 118 ALA H 4.540 . 4.540 4.428 4.225 4.570 0.030 1 0 "[ . 1]" 1
729 1 117 GLU QB 1 118 ALA H 3.800 . 3.800 2.674 2.308 3.534 . 0 0 "[ . 1]" 1
730 1 118 ALA MB 1 119 HIS HD2 5.830 . 5.830 3.698 2.376 4.515 . 0 0 "[ . 1]" 1
731 1 118 ALA MB 1 119 HIS QB 5.510 . 5.510 3.981 3.577 4.401 . 0 0 "[ . 1]" 1
732 1 118 ALA H 1 121 LEU QD 8.300 . 8.300 5.194 3.754 5.995 . 0 0 "[ . 1]" 1
733 1 118 ALA MB 1 119 HIS H 3.090 . 3.090 2.550 2.326 2.727 . 0 0 "[ . 1]" 1
734 1 118 ALA H 1 119 HIS QB 5.530 . 5.530 4.882 4.630 5.124 . 0 0 "[ . 1]" 1
735 1 121 LEU MD2 1 124 GLN QE 6.190 . 6.190 5.131 2.392 6.335 0.145 3 0 "[ . 1]" 1
736 1 121 LEU MD1 1 125 TRP HE1 8.180 . 8.180 7.368 4.811 8.313 0.133 2 0 "[ . 1]" 1
737 1 121 LEU QD 1 124 GLN QE 4.890 . 4.890 4.007 2.342 5.187 0.297 3 0 "[ . 1]" 1
738 1 121 LEU QB 1 122 THR H 4.080 . 4.080 2.661 2.164 3.262 . 0 0 "[ . 1]" 1
739 1 121 LEU MD2 1 122 THR H 5.940 . 5.940 4.519 4.119 4.913 . 0 0 "[ . 1]" 1
740 1 121 LEU QD 1 123 ARG H 5.340 . 5.340 4.858 4.453 5.328 . 0 0 "[ . 1]" 1
741 1 121 LEU MD1 1 123 ARG HA 6.910 . 6.910 6.650 6.159 7.059 0.149 3 0 "[ . 1]" 1
742 1 121 LEU MD1 1 122 THR HB 6.620 . 6.620 5.877 3.854 6.685 0.065 5 0 "[ . 1]" 1
743 1 121 LEU MD1 1 122 THR H 4.980 . 4.980 4.125 3.293 4.789 . 0 0 "[ . 1]" 1
744 1 122 THR HB 1 123 ARG H 3.770 . 3.770 3.271 2.281 3.991 0.221 6 0 "[ . 1]" 1
745 1 122 THR MG 1 125 TRP HE1 7.670 . 7.670 5.381 3.076 7.273 . 0 0 "[ . 1]" 1
746 1 123 ARG QB 1 125 TRP HE1 7.750 . 7.750 4.604 2.789 7.064 . 0 0 "[ . 1]" 1
747 1 126 SER HA 1 127 LEU H 3.250 . 3.250 2.808 2.224 3.392 0.142 7 0 "[ . 1]" 1
748 1 126 SER QB 1 127 LEU H 4.210 . 4.210 3.370 1.777 4.005 . 0 0 "[ . 1]" 1
749 1 127 LEU QB 1 128 ARG H 4.050 . 4.050 3.335 1.946 3.961 . 0 0 "[ . 1]" 1
750 1 129 PRO HA 1 130 ARG H 3.460 . 3.460 2.522 2.125 3.551 0.091 4 0 "[ . 1]" 1
751 1 133 LEU HA 1 137 GLU H 6.900 . 6.900 6.121 4.818 6.979 0.079 5 0 "[ . 1]" 1
752 1 133 LEU MD1 1 134 ALA H 5.480 . 5.480 3.919 2.269 5.304 . 0 0 "[ . 1]" 1
753 1 133 LEU MD1 1 136 PHE QE 5.650 . 5.650 4.441 2.921 5.666 0.016 3 0 "[ . 1]" 1
754 1 133 LEU MD1 1 136 PHE QD 5.860 . 5.860 3.789 2.190 4.604 . 0 0 "[ . 1]" 1
755 1 133 LEU QB 1 134 ALA H 4.170 . 4.170 3.397 2.085 4.011 . 0 0 "[ . 1]" 1
756 1 134 ALA MB 1 135 THR H 3.890 . 3.890 2.824 1.906 3.594 . 0 0 "[ . 1]" 1
757 1 136 PHE HA 1 139 GLU H 5.480 . 5.480 4.186 3.213 5.833 0.353 5 0 "[ . 1]" 1
758 1 136 PHE HA 1 137 GLU H 3.320 . 3.320 3.162 2.108 3.499 0.179 8 0 "[ . 1]" 1
759 1 136 PHE QB 1 137 GLU H 4.270 . 4.270 3.028 2.475 3.844 . 0 0 "[ . 1]" 1
760 1 136 PHE QD 1 137 GLU H 4.650 . 4.650 4.010 3.356 4.748 0.098 9 0 "[ . 1]" 1
761 1 136 PHE QB 1 138 THR H 4.660 . 4.660 4.295 2.612 4.807 0.147 1 0 "[ . 1]" 1
762 1 137 GLU H 1 138 THR H 2.930 . 2.930 2.509 2.331 2.723 . 0 0 "[ . 1]" 1
763 1 137 GLU QG 1 138 THR H 4.750 . 4.750 4.227 3.433 4.632 . 0 0 "[ . 1]" 1
764 1 137 GLU HA 1 138 THR H 3.210 . 3.210 3.202 2.973 3.412 0.202 6 0 "[ . 1]" 1
765 1 138 THR MG 1 139 GLU H 3.920 . 3.920 3.780 2.834 4.069 0.149 6 0 "[ . 1]" 1
766 1 138 THR H 1 139 GLU H 3.430 . 3.430 2.283 1.827 3.177 . 0 0 "[ . 1]" 1
767 1 138 THR HA 1 139 GLU H 3.260 . 3.260 3.396 3.302 3.483 0.223 9 0 "[ . 1]" 1
768 1 139 GLU HA 1 140 ALA H 2.150 . 2.150 2.190 2.072 2.484 0.334 1 0 "[ . 1]" 1
769 1 140 ALA HA 1 141 GLU H 3.220 . 3.220 2.494 2.123 3.350 0.130 9 0 "[ . 1]" 1
770 1 140 ALA MB 1 141 GLU H 3.300 . 3.300 3.197 2.590 3.408 0.108 8 0 "[ . 1]" 1
771 1 142 ILE HA 1 143 ASP H 3.230 . 3.230 2.718 2.179 3.514 0.284 9 0 "[ . 1]" 1
772 1 6 GLU HA 1 7 MET H 3.310 . 3.310 3.499 3.475 3.528 0.218 4 0 "[ . 1]" 1
773 1 98 SER HA 1 99 GLN H 3.290 . 3.290 3.473 3.457 3.497 0.207 1 0 "[ . 1]" 1
774 1 105 LEU QB 1 107 GLU H 4.400 . 4.400 4.515 4.441 4.578 0.178 10 0 "[ . 1]" 1
775 1 13 MET H 1 16 LEU QB 4.430 . 4.430 4.485 4.335 4.659 0.229 10 0 "[ . 1]" 1
776 1 20 MET H 1 23 ALA H 4.340 . 4.340 4.462 4.396 4.521 0.181 7 0 "[ . 1]" 1
777 1 62 LEU HA 1 65 GLU H 3.310 . 3.310 3.319 3.217 3.431 0.121 5 0 "[ . 1]" 1
778 1 99 GLN H 1 101 PHE H 3.650 . 3.650 3.774 3.703 3.837 0.187 4 0 "[ . 1]" 1
779 1 87 LEU HA 1 89 GLU H 4.120 . 4.120 4.121 3.999 4.222 0.102 4 0 "[ . 1]" 1
780 1 98 SER H 1 102 ARG H 5.940 . 5.940 6.018 5.977 6.058 0.118 1 0 "[ . 1]" 1
781 1 59 ILE MG 1 61 ARG H 5.160 . 5.160 4.718 4.039 5.385 0.225 3 0 "[ . 1]" 1
782 1 62 LEU HG 1 65 GLU H 4.940 . 4.940 5.087 4.995 5.198 0.258 1 0 "[ . 1]" 1
783 1 67 VAL HB 1 68 CYS H 3.520 . 3.520 2.781 2.577 3.745 0.225 8 0 "[ . 1]" 1
784 1 101 PHE QD 1 105 LEU H 5.200 . 5.200 5.211 5.164 5.252 0.052 3 0 "[ . 1]" 1
785 1 83 PHE HZ 1 100 LEU MD1 5.510 . 5.510 5.507 4.403 5.686 0.176 4 0 "[ . 1]" 1
786 1 68 CYS H 1 69 VAL MG1 5.530 . 5.530 5.433 4.207 5.766 0.236 6 0 "[ . 1]" 1
787 1 10 GLU H 1 14 MET H 5.710 . 5.710 5.972 5.793 6.098 0.388 4 0 "[ . 1]" 1
788 1 14 MET H 1 16 LEU QB 4.260 . 4.260 4.263 4.175 4.376 0.116 4 0 "[ . 1]" 1
789 1 19 GLN HA 1 22 GLU H 3.610 . 3.610 3.206 2.915 3.405 . 0 0 "[ . 1]" 1
790 1 65 GLU HA 1 66 ASP H 3.290 . 3.290 3.466 3.438 3.491 0.201 10 0 "[ . 1]" 1
791 1 15 GLU H 1 16 LEU QB 4.040 . 4.040 4.119 4.081 4.165 0.125 8 0 "[ . 1]" 1
792 1 19 GLN H 1 23 ALA H 5.360 . 5.360 5.466 5.423 5.499 0.139 9 0 "[ . 1]" 1
793 1 62 LEU H 1 64 LEU H 4.180 . 4.180 4.304 4.207 4.400 0.220 1 0 "[ . 1]" 1
794 1 87 LEU HA 1 88 ALA H 3.250 . 3.250 3.420 3.404 3.436 0.186 2 0 "[ . 1]" 1
795 1 88 ALA H 1 91 GLU H 4.450 . 4.450 4.591 4.521 4.709 0.259 3 0 "[ . 1]" 1
796 1 93 GLU H 1 94 VAL HA 4.010 . 4.010 4.058 4.022 4.126 0.116 6 0 "[ . 1]" 1
797 1 96 GLU H 1 97 VAL HA 4.730 . 4.730 4.857 4.804 4.911 0.181 1 0 "[ . 1]" 1
798 1 26 GLN H 1 28 ARG H 3.950 . 3.950 4.016 3.957 4.096 0.146 8 0 "[ . 1]" 1
799 1 111 ARG H 1 112 MET QG 6.010 . 6.010 5.698 4.253 6.158 0.148 3 0 "[ . 1]" 1
800 1 6 GLU H 1 69 VAL MG1 6.900 . 6.900 5.887 4.831 6.629 . 0 0 "[ . 1]" 1
801 1 9 LEU MD1 1 68 CYS H 5.060 . 5.060 4.625 4.021 5.223 0.163 3 0 "[ . 1]" 1
802 1 45 TRP HE1 1 48 SER QB 8.070 . 8.070 7.697 6.571 8.176 0.106 9 0 "[ . 1]" 1
803 1 53 THR MG 1 55 ASP H 6.190 . 6.190 5.145 4.254 6.338 0.148 10 0 "[ . 1]" 1
804 1 75 TYR QD 1 76 CYS H 4.210 . 4.210 4.296 4.227 4.495 0.285 6 0 "[ . 1]" 1
805 1 83 PHE HZ 1 86 LEU H 7.870 . 7.870 8.063 8.011 8.151 0.281 3 0 "[ . 1]" 1
806 1 96 GLU HA 1 99 GLN QE 3.070 . 3.070 2.452 2.025 3.008 . 0 0 "[ . 1]" 1
807 1 101 PHE QD 1 104 VAL H 5.810 . 5.810 5.899 5.771 5.979 0.169 10 0 "[ . 1]" 1
808 1 111 ARG H 1 112 MET HA 5.230 . 5.230 5.173 5.073 5.410 0.180 7 0 "[ . 1]" 1
809 1 124 GLN QG 1 125 TRP HE1 6.740 . 6.740 6.212 4.378 6.980 0.240 5 0 "[ . 1]" 1
810 1 136 PHE H 1 138 THR HB 5.820 . 5.820 5.358 4.166 6.169 0.349 7 0 "[ . 1]" 1
811 1 99 GLN QE 1 100 LEU MD2 6.120 . 6.120 5.442 3.809 6.198 0.078 3 0 "[ . 1]" 1
812 1 77 GLY H 1 79 ALA H 4.430 . 4.430 4.559 4.543 4.588 0.158 5 0 "[ . 1]" 1
813 1 99 GLN H 1 101 PHE HA 6.470 . 6.470 6.561 6.479 6.626 0.156 4 0 "[ . 1]" 1
814 1 105 LEU H 1 107 GLU H 3.900 . 3.900 3.948 3.888 4.003 0.103 10 0 "[ . 1]" 1
815 1 81 LEU H 1 86 LEU H 7.730 . 7.730 7.834 7.757 7.930 0.200 5 0 "[ . 1]" 1
816 1 84 ARG H 1 86 LEU H 3.870 . 3.870 4.000 3.949 4.067 0.197 7 0 "[ . 1]" 1
817 1 55 ASP H 1 56 LEU H 4.110 . 4.110 4.069 3.848 4.321 0.211 4 0 "[ . 1]" 1
818 1 3 SER HA 1 5 ALA H 4.070 . 4.070 4.005 3.892 4.167 0.097 7 0 "[ . 1]" 1
819 1 99 GLN HA 1 102 ARG H 3.460 . 3.460 3.453 3.317 3.547 0.087 6 0 "[ . 1]" 1
820 1 71 ILE H 1 72 HIS H 4.330 . 4.330 4.498 4.449 4.576 0.246 6 0 "[ . 1]" 1
821 1 100 LEU H 1 101 PHE HA 4.860 . 4.860 4.959 4.906 4.993 0.133 7 0 "[ . 1]" 1
822 1 94 VAL H 1 97 VAL H 4.340 . 4.340 4.513 4.446 4.567 0.227 6 0 "[ . 1]" 1
823 1 65 GLU H 1 66 ASP HA 5.070 . 5.070 5.207 5.146 5.252 0.182 9 0 "[ . 1]" 1
824 1 64 LEU H 1 66 ASP H 4.090 2.050 4.090 4.153 4.068 4.229 0.139 9 0 "[ . 1]" 1
825 1 100 LEU H 1 101 PHE QD 5.960 . 5.960 6.040 5.990 6.063 0.103 2 0 "[ . 1]" 1
826 1 104 VAL HA 1 105 LEU H 3.320 . 3.320 3.525 3.498 3.548 0.228 7 0 "[ . 1]" 1
827 1 14 MET H 1 15 GLU HA 4.880 . 4.880 4.892 4.830 4.947 0.067 3 0 "[ . 1]" 1
828 1 75 TYR H 1 76 CYS HA 5.020 . 5.020 4.912 4.751 5.061 0.041 5 0 "[ . 1]" 1
829 1 106 GLN QE 1 109 LEU H 5.010 . 5.010 4.900 4.623 5.140 0.130 1 0 "[ . 1]" 1
830 1 76 CYS H 1 79 ALA H 4.940 . 4.940 5.051 4.999 5.110 0.170 7 0 "[ . 1]" 1
831 1 56 LEU H 1 57 SER H 4.160 2.350 4.160 4.063 3.579 4.432 0.272 8 0 "[ . 1]" 1
832 1 94 VAL H 1 98 SER HA 8.740 . 8.740 8.821 8.734 8.875 0.135 2 0 "[ . 1]" 1
833 1 59 ILE HB 1 63 GLN QE 4.240 . 4.240 3.506 2.154 4.369 0.129 7 0 "[ . 1]" 1
834 1 98 SER H 1 101 PHE H 4.350 . 4.350 4.547 4.506 4.578 0.228 9 0 "[ . 1]" 1
835 1 14 MET H 1 17 THR H 4.220 . 4.220 4.310 4.276 4.370 0.150 2 0 "[ . 1]" 1
836 1 100 LEU H 1 103 SER HA 6.740 . 6.740 6.885 6.814 6.998 0.258 3 0 "[ . 1]" 1
837 1 16 LEU H 1 20 MET HA 8.090 2.150 8.090 8.083 8.012 8.121 0.031 10 0 "[ . 1]" 1
838 1 65 GLU H 1 67 VAL H 3.930 . 3.930 4.011 3.948 4.133 0.203 8 0 "[ . 1]" 1
839 1 19 GLN H 1 22 GLU H 4.520 . 4.520 4.466 4.324 4.607 0.087 6 0 "[ . 1]" 1
840 1 59 ILE QG 1 60 GLU H 4.760 2.150 4.760 2.697 2.008 3.448 0.142 5 0 "[ . 1]" 1
841 1 108 VAL MG1 1 109 LEU HA 5.110 . 5.110 4.062 3.078 5.379 0.269 2 0 "[ . 1]" 1
842 1 15 GLU H 1 17 THR H 3.880 2.150 3.880 3.946 3.883 3.979 0.099 3 0 "[ . 1]" 1
843 1 10 GLU H 1 14 MET ME 5.450 2.050 5.450 5.439 4.995 5.603 0.153 9 0 "[ . 1]" 1
844 1 14 MET H 1 17 THR HA 6.880 2.150 6.880 7.006 6.949 7.063 0.183 2 0 "[ . 1]" 1
845 1 96 GLU H 1 99 GLN H 4.680 . 4.680 4.709 4.597 4.799 0.119 5 0 "[ . 1]" 1
846 1 75 TYR HA 1 79 ALA H 4.140 . 4.140 4.195 4.118 4.312 0.172 1 0 "[ . 1]" 1
847 1 65 GLU H 1 66 ASP QB 4.360 . 4.360 4.344 4.246 4.427 0.067 9 0 "[ . 1]" 1
848 1 128 ARG H 1 129 PRO QD 4.170 2.150 4.170 3.419 2.064 4.329 0.159 10 0 "[ . 1]" 1
849 1 16 LEU MD1 1 98 SER H 4.410 . 4.410 4.457 4.322 4.561 0.151 5 0 "[ . 1]" 1
850 1 57 SER H 1 59 ILE H 5.050 2.150 5.050 5.146 5.053 5.288 0.238 8 0 "[ . 1]" 1
851 1 102 ARG HA 1 106 GLN QE 4.040 . 4.040 4.059 3.914 4.306 0.266 10 0 "[ . 1]" 1
852 1 88 ALA H 1 89 GLU QG 5.910 2.050 5.910 4.958 4.145 6.080 0.170 10 0 "[ . 1]" 1
853 1 46 LEU H 1 47 ALA H 4.060 . 4.060 2.878 1.807 4.135 0.075 4 0 "[ . 1]" 1
854 1 50 PRO QB 1 51 ASP H 3.530 . 3.530 3.122 1.799 3.704 0.174 2 0 "[ . 1]" 1
855 1 86 LEU HG 1 90 GLN H 6.550 . 6.550 6.624 6.190 6.806 0.256 10 0 "[ . 1]" 1
856 1 124 GLN HA 1 125 TRP HE1 5.810 . 5.810 5.703 4.881 6.150 0.340 1 0 "[ . 1]" 1
857 1 9 LEU HG 1 68 CYS H 5.370 . 5.370 5.128 4.534 5.437 0.067 4 0 "[ . 1]" 1
858 1 68 CYS H 1 71 ILE H 5.080 2.150 5.080 5.028 4.705 5.248 0.168 1 0 "[ . 1]" 1
859 1 9 LEU HA 1 13 MET H 3.970 . 3.970 3.916 3.816 4.012 0.042 5 0 "[ . 1]" 1
860 1 103 SER H 1 106 GLN QE 6.190 2.350 6.190 6.180 6.081 6.294 0.104 7 0 "[ . 1]" 1
861 1 118 ALA H 1 119 HIS HD2 4.790 2.050 4.790 4.732 4.541 4.821 0.031 9 0 "[ . 1]" 1
862 1 105 LEU HG 1 108 VAL MG1 6.140 . 6.140 5.421 4.824 6.258 0.118 8 0 "[ . 1]" 1
863 1 18 GLY H 1 22 GLU H 5.610 . 5.610 5.754 5.711 5.853 0.243 6 0 "[ . 1]" 1
864 1 2 ARG QB 1 6 GLU H 4.430 . 4.430 4.421 3.981 4.780 0.350 5 0 "[ . 1]" 1
865 1 77 GLY H 1 80 ILE MD 5.550 . 5.550 4.560 4.050 5.657 0.107 1 0 "[ . 1]" 1
866 1 64 LEU H 1 67 VAL H 4.640 . 4.640 4.729 4.658 4.771 0.131 8 0 "[ . 1]" 1
867 1 80 ILE MD 1 84 ARG H 6.600 . 6.600 5.952 5.363 6.718 0.118 7 0 "[ . 1]" 1
868 1 100 LEU H 1 103 SER H 4.380 . 4.380 4.455 4.414 4.501 0.121 3 0 "[ . 1]" 1
869 1 9 LEU H 1 13 MET H 5.850 2.350 5.850 5.920 5.759 6.021 0.171 5 0 "[ . 1]" 1
870 1 79 ALA H 1 80 ILE MD 5.510 . 5.510 4.831 4.365 5.680 0.170 2 0 "[ . 1]" 1
871 1 23 ALA H 1 94 VAL HA 5.400 . 5.400 5.188 5.045 5.316 . 0 0 "[ . 1]" 1
872 1 71 ILE MG 1 108 VAL H 8.580 . 8.580 7.340 6.458 8.676 0.096 4 0 "[ . 1]" 1
873 1 80 ILE MD 1 83 PHE HZ 9.170 . 9.170 8.252 7.588 9.276 0.106 2 0 "[ . 1]" 1
874 1 82 ARG H 1 87 LEU H 7.750 . 7.750 7.763 7.697 7.839 0.089 2 0 "[ . 1]" 1
875 1 107 GLU H 1 109 LEU HA 6.460 . 6.460 6.453 6.344 6.518 0.058 8 0 "[ . 1]" 1
876 1 12 LEU H 1 16 LEU H 5.830 . 5.830 5.857 5.697 5.941 0.111 10 0 "[ . 1]" 1
877 1 101 PHE H 1 103 SER H 3.740 . 3.740 3.788 3.726 3.852 0.112 7 0 "[ . 1]" 1
878 1 65 GLU HA 1 69 VAL H 3.860 . 3.860 3.962 3.791 4.108 0.248 7 0 "[ . 1]" 1
879 1 67 VAL HA 1 71 ILE H 5.160 2.150 5.160 5.131 4.758 5.278 0.118 1 0 "[ . 1]" 1
880 1 20 MET QG 1 24 GLU H 5.150 . 5.150 4.554 4.365 4.812 . 0 0 "[ . 1]" 1
881 1 102 ARG H 1 106 GLN H 5.850 . 5.850 5.923 5.812 6.039 0.189 7 0 "[ . 1]" 1
882 1 59 ILE MD 1 60 GLU H 4.080 2.150 4.080 3.929 3.707 4.162 0.082 7 0 "[ . 1]" 1
883 1 33 ALA H 1 37 VAL HB 7.190 . 7.190 6.861 5.871 7.305 0.115 2 0 "[ . 1]" 1
884 1 84 ARG HA 1 86 LEU H 4.150 . 4.150 4.266 4.181 4.386 0.236 3 0 "[ . 1]" 1
885 1 75 TYR H 1 79 ALA H 6.320 2.450 6.320 6.304 6.202 6.360 0.040 5 0 "[ . 1]" 1
886 1 41 VAL MG1 1 45 TRP H 8.280 . 8.280 6.772 3.425 8.391 0.111 9 0 "[ . 1]" 1
887 1 139 GLU QG 1 140 ALA H 3.940 . 3.940 3.728 3.038 4.108 0.168 2 0 "[ . 1]" 1
888 1 17 THR H 1 21 ARG H 5.810 2.050 5.810 5.884 5.802 5.942 0.132 7 0 "[ . 1]" 1
889 1 95 GLN H 1 98 SER H 4.970 . 4.970 5.017 4.951 5.071 0.101 10 0 "[ . 1]" 1
890 1 20 MET ME 1 98 SER HA 4.000 . 4.000 3.757 2.633 4.115 0.115 9 0 "[ . 1]" 1
891 1 71 ILE HB 1 72 HIS H 4.020 . 4.020 4.044 3.763 4.154 0.134 2 0 "[ . 1]" 1
892 1 57 SER HA 1 61 ARG H 5.070 . 5.070 4.995 4.832 5.096 0.026 10 0 "[ . 1]" 1
893 1 142 ILE HB 1 143 ASP H 3.830 . 3.830 3.175 2.059 3.964 0.134 10 0 "[ . 1]" 1
894 1 57 SER H 1 61 ARG H 4.500 2.250 4.500 4.355 4.153 4.611 0.111 10 0 "[ . 1]" 1
895 1 55 ASP H 1 57 SER H 5.360 2.350 5.360 5.266 4.981 5.531 0.171 10 0 "[ . 1]" 1
896 1 16 LEU HA 1 20 MET HA 5.700 2.050 5.700 5.688 5.593 5.739 0.039 10 0 "[ . 1]" 1
897 1 20 MET HA 1 56 LEU QB 8.410 . 8.410 8.163 7.710 8.599 0.189 1 0 "[ . 1]" 1
898 1 93 GLU H 1 95 GLN QE 5.590 2.550 5.590 5.562 5.196 5.767 0.177 5 0 "[ . 1]" 1
899 1 30 ARG QD 1 32 ASN QD 7.360 . 7.360 6.966 5.713 7.579 0.219 7 0 "[ . 1]" 1
900 1 34 VAL H 1 35 ARG H 2.750 . 2.750 2.431 2.282 2.762 0.012 3 0 "[ . 1]" 1
901 1 102 ARG QD 1 103 SER H 4.950 . 4.950 4.874 4.557 5.250 0.300 6 0 "[ . 1]" 1
902 1 106 GLN QE 1 109 LEU HG 4.880 2.250 4.880 4.752 4.146 4.972 0.092 10 0 "[ . 1]" 1
903 1 2 ARG QG 1 6 GLU H 5.090 . 5.090 4.704 3.997 5.216 0.126 2 0 "[ . 1]" 1
904 1 5 ALA MB 1 69 VAL HB 4.450 2.150 4.450 4.002 2.655 4.497 0.047 10 0 "[ . 1]" 1
905 1 98 SER H 1 99 GLN QE 5.900 3.050 5.900 5.924 5.685 6.042 0.142 2 0 "[ . 1]" 1
906 1 23 ALA H 1 94 VAL MG2 5.140 . 5.140 4.794 4.598 5.106 . 0 0 "[ . 1]" 1
907 1 61 ARG HD3 1 62 LEU H 5.030 2.050 5.030 4.903 3.294 5.255 0.225 3 0 "[ . 1]" 1
908 1 64 LEU MD1 1 68 CYS QB 5.790 2.450 5.790 5.315 3.957 6.017 0.227 8 0 "[ . 1]" 1
909 1 87 LEU H 1 100 LEU MD2 4.930 . 4.930 3.121 2.597 4.996 0.066 9 0 "[ . 1]" 1
910 1 13 MET ME 1 65 GLU HA 4.500 . 4.500 4.357 4.000 4.644 0.144 9 0 "[ . 1]" 1
911 1 45 TRP HE1 1 46 LEU HG 4.810 . 4.810 3.957 2.871 4.851 0.041 5 0 "[ . 1]" 1
912 1 93 GLU QB 1 95 GLN QE 3.060 . 3.060 2.810 2.047 3.531 0.471 2 0 "[ . 1]" 1
913 1 82 ARG H 1 86 LEU H 5.810 . 5.810 5.879 5.819 5.940 0.130 3 0 "[ . 1]" 1
914 1 94 VAL HA 1 98 SER H 3.930 . 3.930 4.009 3.867 4.090 0.160 3 0 "[ . 1]" 1
915 1 61 ARG QD 1 62 LEU H 4.440 . 4.440 4.049 3.071 4.396 . 0 0 "[ . 1]" 1
916 1 59 ILE MD 1 60 GLU QB 5.280 2.350 5.280 4.808 4.152 5.299 0.019 6 0 "[ . 1]" 1
917 1 75 TYR H 1 77 GLY H 4.230 . 4.230 4.304 4.259 4.380 0.150 9 0 "[ . 1]" 1
918 1 39 THR HB 1 41 VAL H 5.840 . 5.840 5.368 4.123 6.206 0.366 7 0 "[ . 1]" 1
919 1 59 ILE H 1 62 LEU H 4.660 . 4.660 4.658 4.584 4.728 0.068 8 0 "[ . 1]" 1
920 1 62 LEU HA 1 66 ASP H 4.040 2.250 4.040 3.901 3.643 4.088 0.048 7 0 "[ . 1]" 1
921 1 41 VAL HB 1 42 ASP H 4.010 2.050 4.010 3.711 2.308 4.152 0.142 4 0 "[ . 1]" 1
922 1 20 MET QG 1 22 GLU H 6.080 . 6.080 5.572 5.317 5.821 . 0 0 "[ . 1]" 1
923 1 59 ILE MD 1 61 ARG H 5.960 2.050 5.960 6.001 5.830 6.166 0.206 10 0 "[ . 1]" 1
924 1 71 ILE HB 1 76 CYS H 6.430 2.750 6.430 5.815 5.179 6.476 0.046 4 0 "[ . 1]" 1
925 1 141 GLU HA 1 142 ILE H 2.400 . 2.400 2.250 2.114 2.512 0.112 1 0 "[ . 1]" 1
926 1 5 ALA H 1 7 MET ME 5.280 2.450 5.280 4.967 4.324 5.302 0.022 10 0 "[ . 1]" 1
927 1 34 VAL H 1 35 ARG QD 5.950 2.250 5.950 5.569 3.756 6.160 0.210 3 0 "[ . 1]" 1
928 1 76 CYS H 1 108 VAL MG1 6.710 . 6.710 6.695 6.360 6.942 0.232 3 0 "[ . 1]" 1
929 1 109 LEU H 1 112 MET ME 5.160 . 5.160 4.643 3.082 5.236 0.076 9 0 "[ . 1]" 1
930 1 93 GLU H 1 94 VAL H 3.450 . 3.450 3.467 3.217 3.733 0.283 8 0 "[ . 1]" 1
931 1 121 LEU MD1 1 124 GLN QE 5.360 . 5.360 4.458 3.336 5.506 0.146 3 0 "[ . 1]" 1
932 1 14 MET H 1 101 PHE QE 6.320 2.050 6.320 5.921 5.581 6.097 . 0 0 "[ . 1]" 1
933 1 20 MET H 1 94 VAL MG2 5.390 . 5.390 5.106 4.662 5.460 0.070 6 0 "[ . 1]" 1
934 1 124 GLN QE 1 127 LEU QB 4.850 . 4.850 4.742 4.135 5.042 0.192 4 0 "[ . 1]" 1
935 1 93 GLU HA 1 95 GLN QE 3.650 . 3.650 3.544 3.253 3.757 0.107 5 0 "[ . 1]" 1
936 1 123 ARG HA 1 124 GLN QE 6.550 . 6.550 6.125 4.765 6.902 0.352 6 0 "[ . 1]" 1
937 1 142 ILE QG 1 143 ASP H 3.900 . 3.900 3.725 2.274 4.053 0.153 2 0 "[ . 1]" 1
938 1 105 LEU MD1 1 109 LEU MD1 4.820 . 4.820 4.612 4.224 4.957 0.137 7 0 "[ . 1]" 1
939 1 62 LEU HG 1 66 ASP H 4.200 2.050 4.200 4.194 4.068 4.284 0.084 7 0 "[ . 1]" 1
940 1 35 ARG HA 1 37 VAL H 4.640 2.250 4.640 4.125 3.006 4.797 0.157 4 0 "[ . 1]" 1
941 1 12 LEU HG 1 16 LEU H 5.770 . 5.770 5.565 4.610 5.989 0.219 5 0 "[ . 1]" 1
942 1 30 ARG QG 1 32 ASN QD 6.500 . 6.500 6.167 5.549 6.606 0.106 1 0 "[ . 1]" 1
943 1 133 LEU HA 1 134 ALA H 3.260 . 3.260 2.361 2.125 3.240 . 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 144
_Distance_constraint_stats_list.Viol_count 211
_Distance_constraint_stats_list.Viol_total 106.770
_Distance_constraint_stats_list.Viol_max 0.226
_Distance_constraint_stats_list.Viol_rms 0.0256
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0074
_Distance_constraint_stats_list.Viol_average_violations_only 0.0506
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 5 ALA 0.025 0.024 4 0 "[ . 1]"
1 6 GLU 0.132 0.066 4 0 "[ . 1]"
1 7 MET 0.093 0.066 5 0 "[ . 1]"
1 8 VAL 0.041 0.040 5 0 "[ . 1]"
1 9 LEU 0.084 0.058 7 0 "[ . 1]"
1 10 GLU 0.528 0.226 7 0 "[ . 1]"
1 11 THR 0.927 0.160 5 0 "[ . 1]"
1 12 LEU 0.041 0.040 5 0 "[ . 1]"
1 13 MET 0.417 0.113 1 0 "[ . 1]"
1 14 MET 0.396 0.226 7 0 "[ . 1]"
1 15 GLU 0.867 0.160 5 0 "[ . 1]"
1 16 LEU 0.058 0.046 5 0 "[ . 1]"
1 17 THR 0.358 0.113 1 0 "[ . 1]"
1 18 GLY 0.000 0.000 . 0 "[ . 1]"
1 19 GLN 0.240 0.053 3 0 "[ . 1]"
1 20 MET 0.106 0.048 9 0 "[ . 1]"
1 21 ARG 0.004 0.004 6 0 "[ . 1]"
1 22 GLU 0.012 0.012 2 0 "[ . 1]"
1 23 ALA 0.277 0.067 2 0 "[ . 1]"
1 24 GLU 0.304 0.144 2 0 "[ . 1]"
1 25 ARG 0.029 0.025 2 0 "[ . 1]"
1 26 GLN 0.012 0.012 2 0 "[ . 1]"
1 27 GLN 0.110 0.067 2 0 "[ . 1]"
1 28 ARG 0.413 0.144 2 0 "[ . 1]"
1 29 GLU 0.043 0.025 2 0 "[ . 1]"
1 30 ARG 0.056 0.028 1 0 "[ . 1]"
1 31 SER 0.040 0.028 9 0 "[ . 1]"
1 32 ASN 0.156 0.086 7 0 "[ . 1]"
1 33 ALA 0.018 0.009 9 0 "[ . 1]"
1 34 VAL 0.056 0.028 1 0 "[ . 1]"
1 58 PRO 0.000 0.000 . 0 "[ . 1]"
1 59 ILE 0.000 0.000 . 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 61 ARG 0.061 0.040 1 0 "[ . 1]"
1 62 LEU 0.000 0.000 . 0 "[ . 1]"
1 63 GLN 0.039 0.023 5 0 "[ . 1]"
1 64 LEU 0.000 0.000 . 0 "[ . 1]"
1 65 GLU 0.061 0.040 1 0 "[ . 1]"
1 66 ASP 1.262 0.189 3 0 "[ . 1]"
1 67 VAL 0.039 0.023 5 0 "[ . 1]"
1 68 CYS 0.000 0.000 . 0 "[ . 1]"
1 69 VAL 0.000 0.000 . 0 "[ . 1]"
1 70 LYS 1.262 0.189 3 0 "[ . 1]"
1 75 TYR 0.017 0.015 6 0 "[ . 1]"
1 76 CYS 0.002 0.002 7 0 "[ . 1]"
1 77 GLY 0.000 0.000 . 0 "[ . 1]"
1 78 PRO 0.165 0.052 6 0 "[ . 1]"
1 79 ALA 0.053 0.028 5 0 "[ . 1]"
1 80 ILE 0.002 0.002 7 0 "[ . 1]"
1 81 LEU 0.000 0.000 . 0 "[ . 1]"
1 82 ARG 0.165 0.052 6 0 "[ . 1]"
1 83 PHE 0.036 0.028 5 0 "[ . 1]"
1 84 ARG 0.000 0.000 . 0 "[ . 1]"
1 85 GLN 0.547 0.133 1 0 "[ . 1]"
1 86 LEU 0.132 0.074 1 0 "[ . 1]"
1 87 LEU 0.000 0.000 . 0 "[ . 1]"
1 88 ALA 0.000 0.000 . 0 "[ . 1]"
1 89 GLU 0.547 0.133 1 0 "[ . 1]"
1 90 GLN 0.132 0.074 1 0 "[ . 1]"
1 94 VAL 0.098 0.035 1 0 "[ . 1]"
1 95 GLN 1.232 0.159 10 0 "[ . 1]"
1 96 GLU 0.342 0.089 9 0 "[ . 1]"
1 97 VAL 0.000 0.000 . 0 "[ . 1]"
1 98 SER 0.098 0.035 1 0 "[ . 1]"
1 99 GLN 1.232 0.159 10 0 "[ . 1]"
1 100 LEU 0.342 0.089 9 0 "[ . 1]"
1 101 PHE 0.210 0.059 2 0 "[ . 1]"
1 102 ARG 0.000 0.000 . 0 "[ . 1]"
1 103 SER 0.000 0.000 . 0 "[ . 1]"
1 104 VAL 0.000 0.000 . 0 "[ . 1]"
1 105 LEU 0.259 0.059 2 0 "[ . 1]"
1 106 GLN 0.081 0.027 6 0 "[ . 1]"
1 107 GLU 1.930 0.175 5 0 "[ . 1]"
1 108 VAL 0.049 0.032 2 0 "[ . 1]"
1 109 LEU 0.097 0.049 1 0 "[ . 1]"
1 110 GLU 0.477 0.118 1 0 "[ . 1]"
1 111 ARG 2.049 0.175 5 0 "[ . 1]"
1 112 MET 0.049 0.032 2 0 "[ . 1]"
1 113 LYS 0.091 0.049 1 0 "[ . 1]"
1 114 GLN 0.396 0.118 1 0 "[ . 1]"
1 115 GLU 0.324 0.177 4 0 "[ . 1]"
1 116 GLU 0.000 0.000 . 0 "[ . 1]"
1 117 GLU 0.260 0.148 3 0 "[ . 1]"
1 118 ALA 0.477 0.122 10 0 "[ . 1]"
1 119 HIS 0.205 0.177 4 0 "[ . 1]"
1 120 LYS 0.000 0.000 . 0 "[ . 1]"
1 121 LEU 0.218 0.148 3 0 "[ . 1]"
1 122 THR 0.477 0.122 10 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 5 ALA O 1 9 LEU H 2.000 . 2.300 2.154 1.967 2.324 0.024 4 0 "[ . 1]" 2
2 1 5 ALA O 1 9 LEU N 3.000 2.700 3.300 3.058 2.834 3.248 . 0 0 "[ . 1]" 2
3 1 6 GLU O 1 10 GLU H 2.000 . 2.300 2.099 1.865 2.366 0.066 4 0 "[ . 1]" 2
4 1 6 GLU O 1 10 GLU N 3.000 2.700 3.300 3.030 2.801 3.302 0.002 4 0 "[ . 1]" 2
5 1 7 MET O 1 11 THR H 2.000 . 2.300 2.206 2.083 2.366 0.066 5 0 "[ . 1]" 2
6 1 7 MET O 1 11 THR N 3.000 2.700 3.300 3.116 2.984 3.297 . 0 0 "[ . 1]" 2
7 1 8 VAL O 1 12 LEU H 2.000 . 2.300 2.076 1.861 2.340 0.040 5 0 "[ . 1]" 2
8 1 8 VAL O 1 12 LEU N 3.000 2.700 3.300 2.988 2.776 3.271 . 0 0 "[ . 1]" 2
9 1 9 LEU O 1 13 MET H 2.000 . 2.300 1.838 1.699 1.962 0.001 7 0 "[ . 1]" 2
10 1 9 LEU O 1 13 MET N 3.000 2.700 3.300 2.786 2.642 2.902 0.058 7 0 "[ . 1]" 2
11 1 10 GLU O 1 14 MET H 2.000 . 2.300 2.246 2.022 2.526 0.226 7 0 "[ . 1]" 2
12 1 10 GLU O 1 14 MET N 3.000 2.700 3.300 2.740 2.666 2.853 0.034 2 0 "[ . 1]" 2
13 1 11 THR O 1 15 GLU H 2.000 . 2.300 2.320 1.902 2.460 0.160 5 0 "[ . 1]" 2
14 1 11 THR O 1 15 GLU N 3.000 2.700 3.300 3.223 2.776 3.364 0.064 5 0 "[ . 1]" 2
15 1 12 LEU O 1 16 LEU H 2.000 . 2.300 1.932 1.842 2.021 . 0 0 "[ . 1]" 2
16 1 12 LEU O 1 16 LEU N 3.000 2.700 3.300 2.881 2.811 3.001 . 0 0 "[ . 1]" 2
17 1 13 MET O 1 17 THR H 2.000 . 2.300 2.302 1.994 2.413 0.113 1 0 "[ . 1]" 2
18 1 13 MET O 1 17 THR N 3.000 2.700 3.300 3.150 2.876 3.240 . 0 0 "[ . 1]" 2
19 1 14 MET O 1 18 GLY H 2.000 . 2.300 2.048 1.859 2.216 . 0 0 "[ . 1]" 2
20 1 14 MET O 1 18 GLY N 3.000 2.700 3.300 2.998 2.827 3.158 . 0 0 "[ . 1]" 2
21 1 15 GLU O 1 19 GLN H 2.000 . 2.300 1.939 1.782 2.136 . 0 0 "[ . 1]" 2
22 1 15 GLU O 1 19 GLN N 3.000 2.700 3.300 2.819 2.667 3.031 0.033 2 0 "[ . 1]" 2
23 1 16 LEU O 1 20 MET H 2.000 . 2.300 1.914 1.752 2.013 . 0 0 "[ . 1]" 2
24 1 16 LEU O 1 20 MET N 3.000 2.700 3.300 2.770 2.654 2.864 0.046 5 0 "[ . 1]" 2
25 1 17 THR O 1 21 ARG H 2.000 . 2.300 1.884 1.780 1.992 . 0 0 "[ . 1]" 2
26 1 17 THR O 1 21 ARG N 3.000 2.700 3.300 2.828 2.740 2.916 . 0 0 "[ . 1]" 2
27 1 18 GLY O 1 22 GLU H 2.000 . 2.300 1.923 1.812 2.102 . 0 0 "[ . 1]" 2
28 1 18 GLY O 1 22 GLU N 3.000 2.700 3.300 2.857 2.750 3.058 . 0 0 "[ . 1]" 2
29 1 19 GLN O 1 23 ALA H 2.000 . 2.300 1.765 1.693 1.825 0.007 7 0 "[ . 1]" 2
30 1 19 GLN O 1 23 ALA N 3.000 2.700 3.300 2.682 2.647 2.715 0.053 3 0 "[ . 1]" 2
31 1 20 MET O 1 24 GLU H 2.000 . 2.300 2.193 2.035 2.348 0.048 9 0 "[ . 1]" 2
32 1 20 MET O 1 24 GLU N 3.000 2.700 3.300 3.058 2.899 3.189 . 0 0 "[ . 1]" 2
33 1 21 ARG O 1 25 ARG H 2.000 . 2.300 2.057 1.757 2.304 0.004 6 0 "[ . 1]" 2
34 1 21 ARG O 1 25 ARG N 3.000 2.700 3.300 3.000 2.735 3.243 . 0 0 "[ . 1]" 2
35 1 22 GLU O 1 26 GLN H 2.000 . 2.300 1.942 1.804 2.312 0.012 2 0 "[ . 1]" 2
36 1 22 GLU O 1 26 GLN N 3.000 2.700 3.300 2.855 2.730 3.047 . 0 0 "[ . 1]" 2
37 1 23 ALA O 1 27 GLN H 2.000 . 2.300 2.085 1.900 2.367 0.067 2 0 "[ . 1]" 2
38 1 23 ALA O 1 27 GLN N 3.000 2.700 3.300 3.014 2.868 3.303 0.003 2 0 "[ . 1]" 2
39 1 24 GLU O 1 28 ARG H 2.000 . 2.300 2.161 1.871 2.444 0.144 2 0 "[ . 1]" 2
40 1 24 GLU O 1 28 ARG N 3.000 2.700 3.300 3.051 2.779 3.374 0.074 2 0 "[ . 1]" 2
41 1 25 ARG O 1 29 GLU H 2.000 . 2.300 1.973 1.770 2.206 . 0 0 "[ . 1]" 2
42 1 25 ARG O 1 29 GLU N 3.000 2.700 3.300 2.882 2.675 3.090 0.025 2 0 "[ . 1]" 2
43 1 26 GLN O 1 30 ARG H 2.000 . 2.300 1.964 1.772 2.274 . 0 0 "[ . 1]" 2
44 1 26 GLN O 1 30 ARG N 3.000 2.700 3.300 2.876 2.721 3.121 . 0 0 "[ . 1]" 2
45 1 27 GLN O 1 31 SER H 2.000 . 2.300 2.087 1.807 2.328 0.028 9 0 "[ . 1]" 2
46 1 27 GLN O 1 31 SER N 3.000 2.700 3.300 3.004 2.761 3.192 . 0 0 "[ . 1]" 2
47 1 28 ARG O 1 32 ASN H 2.000 . 2.300 2.192 1.886 2.386 0.086 7 0 "[ . 1]" 2
48 1 28 ARG O 1 32 ASN N 3.000 2.700 3.300 3.076 2.777 3.226 . 0 0 "[ . 1]" 2
49 1 29 GLU O 1 33 ALA H 2.000 . 2.300 2.098 1.832 2.309 0.009 9 0 "[ . 1]" 2
50 1 29 GLU O 1 33 ALA N 3.000 2.700 3.300 2.890 2.726 3.024 . 0 0 "[ . 1]" 2
51 1 30 ARG O 1 34 VAL H 2.000 . 2.300 2.125 1.883 2.328 0.028 1 0 "[ . 1]" 2
52 1 30 ARG O 1 34 VAL N 3.000 2.700 3.300 3.060 2.853 3.219 . 0 0 "[ . 1]" 2
53 1 58 PRO O 1 62 LEU H 2.000 . 2.300 2.029 1.875 2.200 . 0 0 "[ . 1]" 2
54 1 58 PRO O 1 62 LEU N 3.000 2.700 3.300 2.980 2.838 3.163 . 0 0 "[ . 1]" 2
55 1 59 ILE O 1 63 GLN H 2.000 . 2.300 1.868 1.800 2.038 . 0 0 "[ . 1]" 2
56 1 59 ILE O 1 63 GLN N 3.000 2.700 3.300 2.818 2.749 2.952 . 0 0 "[ . 1]" 2
57 1 60 GLU O 1 64 LEU H 2.000 . 2.300 1.954 1.778 2.072 . 0 0 "[ . 1]" 2
58 1 60 GLU O 1 64 LEU N 3.000 2.700 3.300 2.904 2.741 3.042 . 0 0 "[ . 1]" 2
59 1 61 ARG O 1 65 GLU H 2.000 . 2.300 1.849 1.720 1.949 . 0 0 "[ . 1]" 2
60 1 61 ARG O 1 65 GLU N 3.000 2.700 3.300 2.737 2.660 2.818 0.040 1 0 "[ . 1]" 2
61 1 62 LEU O 1 66 ASP H 2.000 . 2.300 1.898 1.774 1.995 . 0 0 "[ . 1]" 2
62 1 62 LEU O 1 66 ASP N 3.000 2.700 3.300 2.838 2.710 2.942 . 0 0 "[ . 1]" 2
63 1 63 GLN O 1 67 VAL H 2.000 . 2.300 2.183 1.980 2.323 0.023 5 0 "[ . 1]" 2
64 1 63 GLN O 1 67 VAL N 3.000 2.700 3.300 3.089 2.932 3.194 . 0 0 "[ . 1]" 2
65 1 64 LEU O 1 68 CYS H 2.000 . 2.300 2.008 1.847 2.126 . 0 0 "[ . 1]" 2
66 1 64 LEU O 1 68 CYS N 3.000 2.700 3.300 2.891 2.773 3.019 . 0 0 "[ . 1]" 2
67 1 65 GLU O 1 69 VAL H 2.000 . 2.300 1.902 1.782 1.994 . 0 0 "[ . 1]" 2
68 1 65 GLU O 1 69 VAL N 3.000 2.700 3.300 2.854 2.750 2.938 . 0 0 "[ . 1]" 2
69 1 66 ASP O 1 70 LYS H 2.000 . 2.300 2.414 2.188 2.489 0.189 3 0 "[ . 1]" 2
70 1 66 ASP O 1 70 LYS N 3.000 2.700 3.300 3.225 3.054 3.307 0.007 7 0 "[ . 1]" 2
71 1 75 TYR O 1 79 ALA H 2.000 . 2.300 2.229 2.118 2.315 0.015 6 0 "[ . 1]" 2
72 1 75 TYR O 1 79 ALA N 3.000 2.700 3.300 3.145 3.041 3.224 . 0 0 "[ . 1]" 2
73 1 76 CYS O 1 80 ILE H 2.000 . 2.300 1.886 1.767 1.995 . 0 0 "[ . 1]" 2
74 1 76 CYS O 1 80 ILE N 3.000 2.700 3.300 2.795 2.698 2.911 0.002 7 0 "[ . 1]" 2
75 1 77 GLY O 1 81 LEU H 2.000 . 2.300 1.962 1.813 2.235 . 0 0 "[ . 1]" 2
76 1 77 GLY O 1 81 LEU N 3.000 2.700 3.300 2.933 2.788 3.192 . 0 0 "[ . 1]" 2
77 1 78 PRO O 1 82 ARG H 2.000 . 2.300 1.739 1.666 1.900 0.034 6 0 "[ . 1]" 2
78 1 78 PRO O 1 82 ARG N 3.000 2.700 3.300 2.693 2.648 2.742 0.052 6 0 "[ . 1]" 2
79 1 79 ALA O 1 83 PHE H 2.000 . 2.300 2.152 1.991 2.328 0.028 5 0 "[ . 1]" 2
80 1 79 ALA O 1 83 PHE N 3.000 2.700 3.300 3.037 2.821 3.196 . 0 0 "[ . 1]" 2
81 1 80 ILE O 1 84 ARG H 2.000 . 2.300 2.022 1.855 2.287 . 0 0 "[ . 1]" 2
82 1 80 ILE O 1 84 ARG N 3.000 2.700 3.300 2.980 2.836 3.177 . 0 0 "[ . 1]" 2
83 1 81 LEU O 1 85 GLN H 2.000 . 2.300 2.029 1.926 2.135 . 0 0 "[ . 1]" 2
84 1 81 LEU O 1 85 GLN N 3.000 2.700 3.300 2.966 2.872 3.067 . 0 0 "[ . 1]" 2
85 1 82 ARG O 1 86 LEU H 2.000 . 2.300 1.913 1.822 2.022 . 0 0 "[ . 1]" 2
86 1 82 ARG O 1 86 LEU N 3.000 2.700 3.300 2.794 2.712 2.963 . 0 0 "[ . 1]" 2
87 1 83 PHE O 1 87 LEU H 2.000 . 2.300 1.883 1.791 1.938 . 0 0 "[ . 1]" 2
88 1 83 PHE O 1 87 LEU N 3.000 2.700 3.300 2.832 2.754 2.904 . 0 0 "[ . 1]" 2
89 1 84 ARG O 1 88 ALA H 2.000 . 2.300 2.163 1.940 2.281 . 0 0 "[ . 1]" 2
90 1 84 ARG O 1 88 ALA N 3.000 2.700 3.300 3.041 2.836 3.166 . 0 0 "[ . 1]" 2
91 1 85 GLN O 1 89 GLU H 2.000 . 2.300 2.343 2.237 2.433 0.133 1 0 "[ . 1]" 2
92 1 85 GLN O 1 89 GLU N 3.000 2.700 3.300 3.083 2.965 3.212 . 0 0 "[ . 1]" 2
93 1 86 LEU O 1 90 GLN H 2.000 . 2.300 1.857 1.703 2.374 0.074 1 0 "[ . 1]" 2
94 1 86 LEU O 1 90 GLN N 3.000 2.700 3.300 2.781 2.662 3.160 0.038 7 0 "[ . 1]" 2
95 1 94 VAL O 1 98 SER H 2.000 . 2.300 2.274 2.171 2.335 0.035 1 0 "[ . 1]" 2
96 1 94 VAL O 1 98 SER N 3.000 2.700 3.300 3.245 3.143 3.302 0.002 1 0 "[ . 1]" 2
97 1 95 GLN O 1 99 GLN H 2.000 . 2.300 2.409 2.317 2.459 0.159 10 0 "[ . 1]" 2
98 1 95 GLN O 1 99 GLN N 3.000 2.700 3.300 3.300 3.242 3.353 0.053 4 0 "[ . 1]" 2
99 1 96 GLU O 1 100 LEU H 2.000 . 2.300 1.769 1.692 1.861 0.008 9 0 "[ . 1]" 2
100 1 96 GLU O 1 100 LEU N 3.000 2.700 3.300 2.671 2.611 2.742 0.089 9 0 "[ . 1]" 2
101 1 97 VAL O 1 101 PHE H 2.000 . 2.300 1.995 1.917 2.166 . 0 0 "[ . 1]" 2
102 1 97 VAL O 1 101 PHE N 3.000 2.700 3.300 2.797 2.745 2.928 . 0 0 "[ . 1]" 2
103 1 98 SER O 1 102 ARG H 2.000 . 2.300 2.044 1.932 2.101 . 0 0 "[ . 1]" 2
104 1 98 SER O 1 102 ARG N 3.000 2.700 3.300 2.919 2.835 3.012 . 0 0 "[ . 1]" 2
105 1 99 GLN O 1 103 SER H 2.000 . 2.300 1.928 1.837 2.107 . 0 0 "[ . 1]" 2
106 1 99 GLN O 1 103 SER N 3.000 2.700 3.300 2.808 2.735 2.935 . 0 0 "[ . 1]" 2
107 1 100 LEU O 1 104 VAL H 2.000 . 2.300 1.959 1.866 2.003 . 0 0 "[ . 1]" 2
108 1 100 LEU O 1 104 VAL N 3.000 2.700 3.300 2.922 2.825 2.975 . 0 0 "[ . 1]" 2
109 1 101 PHE O 1 105 LEU H 2.000 . 2.300 2.314 2.254 2.359 0.059 2 0 "[ . 1]" 2
110 1 101 PHE O 1 105 LEU N 3.000 2.700 3.300 3.234 3.176 3.283 . 0 0 "[ . 1]" 2
111 1 102 ARG O 1 106 GLN H 2.000 . 2.300 2.054 1.918 2.183 . 0 0 "[ . 1]" 2
112 1 102 ARG O 1 106 GLN N 3.000 2.700 3.300 2.911 2.775 3.023 . 0 0 "[ . 1]" 2
113 1 103 SER O 1 107 GLU H 2.000 . 2.300 1.955 1.847 2.039 . 0 0 "[ . 1]" 2
114 1 103 SER O 1 107 GLU N 3.000 2.700 3.300 2.833 2.766 2.937 . 0 0 "[ . 1]" 2
115 1 104 VAL O 1 108 VAL H 2.000 . 2.300 1.826 1.740 1.983 . 0 0 "[ . 1]" 2
116 1 104 VAL O 1 108 VAL N 3.000 2.700 3.300 2.805 2.724 2.954 . 0 0 "[ . 1]" 2
117 1 105 LEU O 1 109 LEU H 2.000 . 2.300 2.212 2.038 2.323 0.023 5 0 "[ . 1]" 2
118 1 105 LEU O 1 109 LEU N 3.000 2.700 3.300 2.972 2.832 3.075 . 0 0 "[ . 1]" 2
119 1 106 GLN O 1 110 GLU H 2.000 . 2.300 2.190 2.005 2.327 0.027 6 0 "[ . 1]" 2
120 1 106 GLN O 1 110 GLU N 3.000 2.700 3.300 3.132 2.943 3.278 . 0 0 "[ . 1]" 2
121 1 107 GLU O 1 111 ARG H 2.000 . 2.300 2.424 2.362 2.475 0.175 5 0 "[ . 1]" 2
122 1 107 GLU O 1 111 ARG N 3.000 2.700 3.300 3.369 3.320 3.431 0.131 5 0 "[ . 1]" 2
123 1 108 VAL O 1 112 MET H 2.000 . 2.300 1.953 1.736 2.184 . 0 0 "[ . 1]" 2
124 1 108 VAL O 1 112 MET N 3.000 2.700 3.300 2.796 2.668 3.009 0.032 2 0 "[ . 1]" 2
125 1 109 LEU O 1 113 LYS H 2.000 . 2.300 1.870 1.728 2.103 . 0 0 "[ . 1]" 2
126 1 109 LEU O 1 113 LYS N 3.000 2.700 3.300 2.802 2.651 3.039 0.049 1 0 "[ . 1]" 2
127 1 110 GLU O 1 114 GLN H 2.000 . 2.300 2.314 2.162 2.418 0.118 1 0 "[ . 1]" 2
128 1 110 GLU O 1 114 GLN N 3.000 2.700 3.300 3.221 3.117 3.318 0.018 1 0 "[ . 1]" 2
129 1 111 ARG O 1 115 GLU H 2.000 . 2.300 2.202 1.820 2.387 0.087 4 0 "[ . 1]" 2
130 1 111 ARG O 1 115 GLU N 3.000 2.700 3.300 3.148 2.775 3.332 0.032 4 0 "[ . 1]" 2
131 1 112 MET O 1 116 GLU H 2.000 . 2.300 2.045 1.880 2.278 . 0 0 "[ . 1]" 2
132 1 112 MET O 1 116 GLU N 3.000 2.700 3.300 2.935 2.813 3.034 . 0 0 "[ . 1]" 2
133 1 113 LYS O 1 117 GLU H 2.000 . 2.300 2.055 1.768 2.336 0.036 9 0 "[ . 1]" 2
134 1 113 LYS O 1 117 GLU N 3.000 2.700 3.300 3.015 2.751 3.298 . 0 0 "[ . 1]" 2
135 1 114 GLN O 1 118 ALA H 2.000 . 2.300 1.953 1.809 2.218 . 0 0 "[ . 1]" 2
136 1 114 GLN O 1 118 ALA N 3.000 2.700 3.300 2.864 2.744 3.061 . 0 0 "[ . 1]" 2
137 1 115 GLU O 1 119 HIS H 2.000 . 2.300 2.158 1.993 2.477 0.177 4 0 "[ . 1]" 2
138 1 115 GLU O 1 119 HIS N 3.000 2.700 3.300 3.054 2.873 3.261 . 0 0 "[ . 1]" 2
139 1 116 GLU O 1 120 LYS H 2.000 . 2.300 2.073 1.850 2.266 . 0 0 "[ . 1]" 2
140 1 116 GLU O 1 120 LYS N 3.000 2.700 3.300 2.980 2.769 3.144 . 0 0 "[ . 1]" 2
141 1 117 GLU O 1 121 LEU H 2.000 . 2.300 1.945 1.710 2.448 0.148 3 0 "[ . 1]" 2
142 1 117 GLU O 1 121 LEU N 3.000 2.700 3.300 2.867 2.654 3.324 0.046 9 0 "[ . 1]" 2
143 1 118 ALA O 1 122 THR H 2.000 . 2.300 2.316 2.024 2.422 0.122 10 0 "[ . 1]" 2
144 1 118 ALA O 1 122 THR N 3.000 2.700 3.300 3.200 2.987 3.329 0.029 10 0 "[ . 1]" 2
stop_
save_
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